| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.4 | Low | 63 | Low | 119 Ų | 119 | 119.6 Ų | 119.6 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | 0 | -61.7 | 0 | -118.4 | 167 | -161.7 | 0 | 0 | 113.5 | R3 Y4 L5 T38 A39 | M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.15Å; M1-Y4 WeakPolarHBondContact O-CB 3.12Å; M1-Y4 PolarHBondContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 3.02Å; M1-T38 HydrophobicContact CE-CG2 4.03Å; M1-A39 HydrophobicContact SD-CB 4.36Å | |||
| 2 | K | 56.4 | Low | 62.6 | Low | 126 Ų | 126 | 118.6 Ų | 118.6 | 55% | 0.548 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -51.8 | -40 | -176.6 | -69 | -173.8 | 175.6 | -173.2 | 0 | 115 | N6 E134 | K2-N6 WeakPolarHBondContact O-CB 3.39Å; K2-N6 PolarHBondContact O-N 3.02Å; K2-N6 VanDerWaalsContact O-N 3.07Å; K2-E134 WeakPolarHBondContact CE-OE1 3.31Å; K2-E134 WeakPolarHBondContact CE-OE2 3.47Å; K2-E134 IonicContact NZ-OE1 3.32Å; K2-E134 PolarHBondContact NZ-OE1 3.03Å; K2-E134 IonicContact NZ-OE2 2.64Å; K2-E134 PolarHBondContact NZ-OE2 3.19Å |
| 3 | R | 66.3 | Low | 62.3 | Low | 223 Ų | 223 | 117.8 Ų | 117.8 | 84% | 0.842 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | 175.7 | -67.3 | -170.6 | -170.2 | -178.2 | 3.5 | 113.4 | M1 Q7 | M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.35Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-Q7 WeakPolarHBondContact O-CB 3.13Å; R3-Q7 PolarHBondContact O-N 3.5Å |
| 4 | Y | 60.9 | Low | 61.8 | Low | 180 Ų | 180 | 119.1 Ų | 119.1 | 71% | 0.706 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.5 | -43 | 179.3 | -81.7 | -86.5 | 0 | 0 | 0 | 111.7 | M1 N6 Q7 Y8 | M1-Y4 WeakPolarHBondContact O-CB 3.12Å; M1-Y4 PolarHBondContact O-N 3.12Å; Y4-N6 VanDerWaalsContact C-N 3.34Å; Y4-N6 PolarHBondContact O-N 2.91Å; Y4-Q7 PolarHBondContact O-N 3.21Å; Y4-Y8 WeakPolarHBondContact O-CB 3.44Å; Y4-Y8 PolarHBondContact O-N 2.93Å |
| 5 | L | 65 | Low | 61.1 | Low | 41 Ų | 41 | 118.8 Ų | 118.8 | 22% | 0.215 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -60.8 | -43 | 174.6 | -83.7 | 154.3 | 0 | 0 | 0 | 111.5 | M1 Y8 A9 Y32 L36 | M1-L5 PolarHBondContact O-N 3.02Å; L5-Y8 PolarHBondContact O-N 3.34Å; L5-A9 WeakPolarHBondContact O-CB 3.44Å; L5-A9 PolarHBondContact O-N 3.08Å; L5-Y32 HydrophobicContact CD2-CE2 4.24Å; L5-L36 HydrophobicContact CD2-CD2 3.82Å |
| 6 | N | 70.3 | Confident | 60.7 | Low | 102 Ų | 102 | 117.3 Ų | 117.3 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.1 | -36.4 | 179.8 | -147.8 | -14.8 | 0 | 0 | 0 | 112.2 | K2 Y4 Y8 Q10 | K2-N6 WeakPolarHBondContact O-CB 3.39Å; K2-N6 PolarHBondContact O-N 3.02Å; K2-N6 VanDerWaalsContact O-N 3.07Å; Y4-N6 VanDerWaalsContact C-N 3.34Å; Y4-N6 PolarHBondContact O-N 2.91Å; N6-Y8 VanDerWaalsContact C-N 3.35Å; N6-Q10 WeakPolarHBondContact O-CB 3.44Å; N6-Q10 VanDerWaalsContact O-CG 3.3Å; N6-Q10 WeakPolarHBondContact O-CG 3.33Å; N6-Q10 PolarHBondContact O-N 3.42Å |
| 7 | Q | 67.3 | Low | 59.9 | Low | 132 Ų | 132 | 120.3 Ų | 120.3 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.3 | -39 | 171.8 | -118.3 | 177.3 | -9.8 | 0 | 0 | 112.3 | R3 Y4 Y11 | R3-Q7 WeakPolarHBondContact O-CB 3.13Å; R3-Q7 PolarHBondContact O-N 3.5Å; Y4-Q7 PolarHBondContact O-N 3.21Å; Q7-Y11 PolarHBondContact O-N 3.41Å; Q7-Y11 VanDerWaalsContact O-N 3.08Å |
| 8 | Y | 60.6 | Low | 59.2 | Low | 88 Ų | 88 | 119.8 Ų | 119.8 | 35% | 0.345 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.5 | -42.3 | 178 | -128 | -93.9 | 0 | 0 | 0 | 112 | Y4 L5 N6 Q10 Y11 L12 Y32 | Y4-Y8 WeakPolarHBondContact O-CB 3.44Å; Y4-Y8 PolarHBondContact O-N 2.93Å; L5-Y8 PolarHBondContact O-N 3.34Å; N6-Y8 VanDerWaalsContact C-N 3.35Å; Y8-Q10 VanDerWaalsContact C-N 3.34Å; Y8-Q10 PolarHBondContact O-N 2.85Å; Y8-Y11 WeakPolarHBondContact O-CB 3.37Å; Y8-Y11 PolarHBondContact O-N 3.31Å; Y8-Y11 VanDerWaalsContact O-N 3.13Å; Y8-L12 HydrophobicContact CD1-CD1 4.45Å; Y8-L12 WeakPolarHBondContact O-CG 3.36Å; Y8-L12 PolarHBondContact O-N 3.37Å; Y8-Y32 AromaticContact CD1-CD2 3.75Å; Y8-Y32 HydrophobicContact CD1-CD2 3.75Å; Y8-Y32 HydrophobicContact CD1-CE2 4.08Å; Y8-Y32 HydrophobicContact CE1-CD2 4.18Å; Y8-Y32 HydrophobicContact CG-CD2 4.42Å |
| 9 | A | 63.4 | Low | 58.3 | Low | 39 Ų | 39 | 119.7 Ų | 119.7 | 32% | 0.322 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L5 L12 T13 | L5-A9 WeakPolarHBondContact O-CB 3.44Å; L5-A9 PolarHBondContact O-N 3.08Å; A9-L12 PolarHBondContact O-N 3.43Å; A9-T13 PolarHBondContact O-N 3.48Å; A9-T13 PolarHBondContact O-OG1 3.3Å |
| 10 | Q | 64.9 | Low | 57.7 | Low | 106 Ų | 106 | 118.9 Ų | 118.9 | 50% | 0.495 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64 | -38.4 | 172.3 | -76.6 | -179.3 | 1.5 | 0 | 0 | 112.4 | N6 Y8 L12 T13 L14 | N6-Q10 WeakPolarHBondContact O-CB 3.44Å; N6-Q10 VanDerWaalsContact O-CG 3.3Å; N6-Q10 WeakPolarHBondContact O-CG 3.33Å; N6-Q10 PolarHBondContact O-N 3.42Å; Y8-Q10 VanDerWaalsContact C-N 3.34Å; Y8-Q10 PolarHBondContact O-N 2.85Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 2.58Å; Q10-T13 WeakPolarHBondContact CA-OG1 3.4Å; Q10-T13 PolarHBondContact O-N 3.28Å; Q10-T13 PolarHBondContact O-OG1 3.44Å; Q10-L14 WeakPolarHBondContact O-CB 3.38Å; Q10-L14 WeakPolarHBondContact O-CD1 3.39Å; Q10-L14 WeakPolarHBondContact O-CG 3.31Å; Q10-L14 PolarHBondContact O-N 3.18Å; Q10-L14 VanDerWaalsContact O-N 3.1Å |
| 11 | Y | 59.4 | Low | 56.9 | Low | 160 Ų | 160 | 117.4 Ų | 117.4 | 63% | 0.627 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.6 | -35.8 | 176.9 | -158.3 | -89.1 | 0 | 0 | 0 | 112.2 | Q7 Y8 | Q7-Y11 PolarHBondContact O-N 3.41Å; Q7-Y11 VanDerWaalsContact O-N 3.08Å; Y8-Y11 WeakPolarHBondContact O-CB 3.37Å; Y8-Y11 PolarHBondContact O-N 3.31Å; Y8-Y11 VanDerWaalsContact O-N 3.13Å |
| 12 | L | 58.9 | Low | 56.4 | Low | 107 Ų | 107 | 121.4 Ų | 121.4 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75 | -33.7 | 176.9 | -70.2 | 169.7 | 0 | 0 | 0 | 113.1 | Y8 A9 Q10 | Y8-L12 HydrophobicContact CD1-CD1 4.45Å; Y8-L12 WeakPolarHBondContact O-CG 3.36Å; Y8-L12 PolarHBondContact O-N 3.37Å; A9-L12 PolarHBondContact O-N 3.43Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 2.58Å |
| 13 | T | 58.6 | Low | 56 | Low | 108 Ų | 108 | 122.4 Ų | 122.4 | 66% | 0.663 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -80 | -27.9 | 179.4 | 30.3 | 0 | 0 | 0 | 0 | 114 | A9 Q10 | A9-T13 PolarHBondContact O-N 3.48Å; A9-T13 PolarHBondContact O-OG1 3.3Å; Q10-T13 WeakPolarHBondContact CA-OG1 3.4Å; Q10-T13 PolarHBondContact O-N 3.28Å; Q10-T13 PolarHBondContact O-OG1 3.44Å |
| 14 | L | 54.7 | Low | 55.2 | Low | 136 Ų | 136 | 115.6 Ų | 115.6 | 71% | 0.712 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -83.3 | -6.9 | -174.9 | -79.2 | 163.2 | 0 | 0 | 0 | 115.1 | Q10 | Q10-L14 WeakPolarHBondContact O-CB 3.38Å; Q10-L14 WeakPolarHBondContact O-CD1 3.39Å; Q10-L14 WeakPolarHBondContact O-CG 3.31Å; Q10-L14 PolarHBondContact O-N 3.18Å; Q10-L14 VanDerWaalsContact O-N 3.1Å |
| 15 | K | 52.1 | Low | 55 | Low | 115 Ų | 115 | 108.3 Ų | 108.3 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | trans | -137.3 | 65.3 | -176.5 | -73.2 | -179.7 | 169.5 | -174.5 | 0 | 114.4 | H17 L18 | K15-H17 PolarHBondContact O-N 3.04Å; K15-L18 HydrophobicContact CD-CD1 3.83Å; K15-L18 HydrophobicContact CG-CD1 4.34Å | ||
| 16 | P | 53.7 | Low | 54.6 | Low | 95 Ų | 95 | 110.3 Ų | 110.3 | 62% | 0.617 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 0.7 | 177.9 | 27.5 | -32 | 0 | 0 | 0 | 115.5 | ||
| 17 | H | 47.5 | Very low | 54.3 | Low | 168 Ų | 168 | 109.2 Ų | 109.2 | 78% | 0.778 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 13.2 | -165.9 | -54.4 | -40.6 | 0 | 0 | 0 | 116.2 | K15 | K15-H17 PolarHBondContact O-N 3.04Š|
| 18 | L | 47.1 | Very low | 54.4 | Low | 112 Ų | 112 | 107.1 Ų | 107.1 | 59% | 0.586 | 56% | 0.56 | S | S | * | * | trans | -93.7 | 121.3 | 173.2 | -86.8 | 154.6 | 0 | 0 | 0 | 109.7 | K15 M20 | K15-L18 HydrophobicContact CD-CD1 3.83Å; K15-L18 HydrophobicContact CG-CD1 4.34Å; L18-M20 VanDerWaalsContact C-N 3.33Å; L18-M20 PolarHBondContact O-N 3.34Å | ||
| 19 | P | 41.7 | Very low | 54.9 | Low | 117 Ų | 117 | 107.4 Ų | 107.4 | 76% | 0.76 | 56% | 0.561 | S | S | * | * | trans | -67.2 | 98.1 | 170.6 | 28.1 | -30.1 | 0 | 0 | 0 | 107.1 | ||||
| 20 | M | 46.4 | Very low | 55.5 | Low | 104 Ų | 104 | 109.2 Ų | 109.2 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | trans | -66.3 | 129.7 | 171.6 | -74.1 | -71.7 | -75.7 | 0 | 0 | 107.5 | L18 F22 | L18-M20 VanDerWaalsContact C-N 3.33Å; L18-M20 PolarHBondContact O-N 3.34Å; M20-F22 PolarHBondContact O-N 3.45Å | ||
| 21 | P | 42.1 | Very low | 56.3 | Low | 87 Ų | 87 | 107.8 Ų | 107.8 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | trans | -58.4 | 120 | 174.1 | 23.7 | -30.8 | 0 | 0 | 0 | 107.9 | N23 T24 | P21-N23 PolarHBondContact O-N 3.44Å; P21-T24 PolarHBondContact O-N 3.05Å; P21-T24 PolarHBondContact O-OG1 3.32Å | ||
| 22 | F | 46.8 | Very low | 57.3 | Low | 204 Ų | 204 | 101.1 Ų | 101.1 | 90% | 0.895 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 9.7 | -166.1 | -95.8 | -92.7 | 0 | 0 | 0 | 116.7 | M20 | M20-F22 PolarHBondContact O-N 3.45Š|
| 23 | N | 49.2 | Very low | 58.4 | Low | 146 Ų | 146 | 99.4 Ų | 99.4 | 78% | 0.781 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | 7.9 | -175.3 | -120.1 | -19.2 | 0 | 0 | 0 | 115.8 | P21 | P21-N23 PolarHBondContact O-N 3.44Š|
| 24 | T | 49.2 | Very low | 59.8 | Low | 80 Ų | 80 | 99.2 Ų | 99.2 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -118.7 | -0.6 | 178.1 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | P21 P27 | P21-T24 PolarHBondContact O-N 3.05Å; P21-T24 PolarHBondContact O-OG1 3.32Å; T24-P27 WeakPolarHBondContact O-CD 3.33Å |
| 25 | S | 55.3 | Low | 61.5 | Low | 28 Ų | 28 | 96.4 Ų | 96.4 | 20% | 0.196 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -85.8 | -19.2 | -177.7 | 59 | 0 | 0 | 0 | 0 | 114.4 | L28 R29 | S25-L28 PolarHBondContact O-N 3.23Å; S25-R29 PolarHBondContact O-N 2.7Å |
| 26 | Q | 58 | Low | 63 | Low | 82 Ų | 82 | 90.9 Ų | 90.9 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -50.9 | -55.3 | 177.3 | -72.4 | -82.9 | -3.8 | 0 | 0 | 112.8 | L28 R29 T30 Y153 | Q26-L28 VanDerWaalsContact C-N 3.28Å; Q26-L28 PolarHBondContact O-N 3.19Å; Q26-R29 PolarHBondContact O-N 3.23Å; Q26-T30 PolarHBondContact O-N 3.13Å; Q26-T30 PolarHBondContact O-OG1 2.68Å; Q26-Y153 PolarHBondContact NE2-OH 2.93Å; Q26-Y153 PolarHBondContact OE1-OH 3.42Å; Q26-Y153 VanDerWaalsContact OE1-OH 3.09Å |
| 27 | P | 64.1 | Low | 64.6 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -33.4 | -177.3 | 23.9 | -34.6 | 0 | 0 | 0 | 113 | T24 T31 | T24-P27 WeakPolarHBondContact O-CD 3.33Å; P27-T31 VanDerWaalsContact O-CB 3.3Å; P27-T31 WeakPolarHBondContact O-CB 3.39Å; P27-T31 PolarHBondContact O-N 2.81Å; P27-T31 PolarHBondContact O-OG1 3.44Å |
| 28 | L | 68.7 | Low | 66.6 | Low | 87 Ų | 87 | 82.4 Ų | 82.4 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.8 | -39.8 | 179.2 | -65.2 | 176 | 0 | 0 | 0 | 111.8 | S25 Q26 T31 Y32 | S25-L28 PolarHBondContact O-N 3.23Å; Q26-L28 VanDerWaalsContact C-N 3.28Å; Q26-L28 PolarHBondContact O-N 3.19Å; L28-T31 PolarHBondContact O-N 3.23Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 PolarHBondContact O-N 3.43Å |
| 29 | R | 70.1 | Confident | 68.4 | Low | 94 Ų | 94 | 77.4 Ų | 77.4 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 175.9 | -74.6 | -176.1 | 174.7 | -175.7 | -2.4 | 111.8 | S25 Q26 T31 Y32 R33 | S25-R29 PolarHBondContact O-N 2.7Å; Q26-R29 PolarHBondContact O-N 3.23Å; R29-T31 VanDerWaalsContact C-N 3.32Å; R29-T31 PolarHBondContact O-N 3.27Å; R29-Y32 PolarHBondContact O-N 3.47Å; R29-R33 WeakPolarHBondContact O-CB 3.48Å; R29-R33 PolarHBondContact O-N 2.93Å |
| 30 | T | 76.5 | Confident | 70.5 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.9 | -48.3 | 0 | 0 | 0 | 0 | 111.4 | Q26 R33 Q34 | Q26-T30 PolarHBondContact O-N 3.13Å; Q26-T30 PolarHBondContact O-OG1 2.68Å; T30-R33 PolarHBondContact O-N 3.13Å; T30-Q34 WeakPolarHBondContact O-CB 3.38Å; T30-Q34 PolarHBondContact O-N 3.44Å |
| 31 | T | 82.6 | Confident | 72.6 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.8 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | P27 L28 R29 Q34 L35 | P27-T31 VanDerWaalsContact O-CB 3.3Å; P27-T31 WeakPolarHBondContact O-CB 3.39Å; P27-T31 PolarHBondContact O-N 2.81Å; P27-T31 PolarHBondContact O-OG1 3.44Å; L28-T31 PolarHBondContact O-N 3.23Å; R29-T31 VanDerWaalsContact C-N 3.32Å; R29-T31 PolarHBondContact O-N 3.27Å; T31-Q34 PolarHBondContact O-N 3.33Å; T31-L35 HydrophobicContact CG2-CD1 4.33Å; T31-L35 VanDerWaalsContact O-CG 3.31Å; T31-L35 WeakPolarHBondContact O-CG 3.44Å; T31-L35 PolarHBondContact O-N 2.77Å |
| 32 | Y | 80.3 | Confident | 74.7 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 8% | 0.075 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 177.9 | -173.5 | -109.7 | 0 | 0 | 0 | 112.2 | L5 Y8 L28 R29 Q34 L35 L36 E141 L145 | L5-Y32 HydrophobicContact CD2-CE2 4.24Å; Y8-Y32 AromaticContact CD1-CD2 3.75Å; Y8-Y32 HydrophobicContact CD1-CD2 3.75Å; Y8-Y32 HydrophobicContact CD1-CE2 4.08Å; Y8-Y32 HydrophobicContact CE1-CD2 4.18Å; Y8-Y32 HydrophobicContact CG-CD2 4.42Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 PolarHBondContact O-N 3.43Å; R29-Y32 PolarHBondContact O-N 3.47Å; Y32-Q34 VanDerWaalsContact C-N 3.34Å; Y32-Q34 PolarHBondContact O-N 2.76Å; Y32-L35 WeakPolarHBondContact O-CB 3.48Å; Y32-L35 PolarHBondContact O-N 3.1Å; Y32-L35 VanDerWaalsContact O-N 3.15Å; Y32-L36 HydrophobicContact CD1-CD1 3.87Å; Y32-L36 HydrophobicContact CD1-CG 4.44Å; Y32-L36 HydrophobicContact CE1-CD1 3.4Å; Y32-L36 HydrophobicContact CE1-CG 4.07Å; Y32-L36 PolarHBondContact O-N 3.17Å; Y32-E141 WeakPolarHBondContact CE1-OE1 3.5Å; Y32-E141 PolarHBondContact OH-OE1 2.73Å; Y32-L145 HydrophobicContact CD1-CD1 3.85Å; Y32-L145 HydrophobicContact CE1-CD1 4.09Å |
| 33 | R | 82.7 | Confident | 76.4 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 175.5 | -175.7 | 172.7 | -179.5 | -92.4 | -0 | 111.4 | R29 T30 L35 L36 I37 L145 D146 E149 | R29-R33 WeakPolarHBondContact O-CB 3.48Å; R29-R33 PolarHBondContact O-N 2.93Å; T30-R33 PolarHBondContact O-N 3.13Å; R33-L35 VanDerWaalsContact C-N 3.3Å; R33-L35 PolarHBondContact O-N 3.17Å; R33-L36 PolarHBondContact O-N 3.41Å; R33-I37 HydrophobicContact CG-CD1 3.96Å; R33-I37 WeakPolarHBondContact O-CG1 3.48Å; R33-I37 PolarHBondContact O-N 3.26Å; R33-L145 HydrophobicContact CB-CD1 4.33Å; R33-D146 IonicContact CZ-OD1 2.93Å; R33-D146 VanDerWaalsContact CZ-OD1 3.32Å; R33-D146 IonicContact NE-OD1 2.95Å; R33-D146 PolarHBondContact NE-OD1 3.49Å; R33-D146 IonicContact NH2-OD1 3.89Å; R33-D146 PolarHBondContact NH2-OD1 2.84Å; R33-D146 IonicContact NH2-OD2 3.41Å; R33-E149 WeakPolarHBondContact CD-OE1 3.44Å; R33-E149 IonicContact NE-OE2 2.83Å |
| 34 | Q | 87.8 | Confident | 78 | Confident | 104 Ų | 104 | 58 Ų | 58 | 49% | 0.486 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 177.3 | -169.4 | 60.3 | 41.8 | 0 | 0 | 112 | T30 T31 Y32 T38 | T30-Q34 WeakPolarHBondContact O-CB 3.38Å; T30-Q34 PolarHBondContact O-N 3.44Å; T31-Q34 PolarHBondContact O-N 3.33Å; Y32-Q34 VanDerWaalsContact C-N 3.34Å; Y32-Q34 PolarHBondContact O-N 2.76Å; Q34-T38 WeakPolarHBondContact O-CB 3.34Å; Q34-T38 PolarHBondContact O-N 2.96Å; Q34-T38 PolarHBondContact O-OG1 3.14Å |
| 35 | L | 89 | Confident | 79.8 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.1 | -75.4 | 169.6 | 0 | 0 | 0 | 112.2 | T31 Y32 R33 T38 A39 | T31-L35 HydrophobicContact CG2-CD1 4.33Å; T31-L35 VanDerWaalsContact O-CG 3.31Å; T31-L35 WeakPolarHBondContact O-CG 3.44Å; T31-L35 PolarHBondContact O-N 2.77Å; Y32-L35 WeakPolarHBondContact O-CB 3.48Å; Y32-L35 PolarHBondContact O-N 3.1Å; Y32-L35 VanDerWaalsContact O-N 3.15Å; R33-L35 VanDerWaalsContact C-N 3.3Å; R33-L35 PolarHBondContact O-N 3.17Å; L35-T38 PolarHBondContact O-N 3.03Å; L35-A39 WeakPolarHBondContact O-CB 3.38Å; L35-A39 PolarHBondContact O-N 2.91Å |
| 36 | L | 85.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 176.8 | -71.1 | 175.4 | 0 | 0 | 0 | 112.3 | L5 Y32 R33 T38 A39 W40 L138 E141 I142 L145 | L5-L36 HydrophobicContact CD2-CD2 3.82Å; Y32-L36 HydrophobicContact CD1-CD1 3.87Å; Y32-L36 HydrophobicContact CD1-CG 4.44Å; Y32-L36 HydrophobicContact CE1-CD1 3.4Å; Y32-L36 HydrophobicContact CE1-CG 4.07Å; Y32-L36 PolarHBondContact O-N 3.17Å; R33-L36 PolarHBondContact O-N 3.41Å; L36-T38 VanDerWaalsContact C-N 3.3Å; L36-T38 PolarHBondContact O-N 3.42Å; L36-A39 PolarHBondContact O-N 3.46Å; L36-W40 WeakPolarHBondContact O-CB 3.37Å; L36-W40 PolarHBondContact O-N 3.4Å; L36-L138 HydrophobicContact CD2-CD2 3.61Å; L36-E141 HydrophobicContact CD1-CB 4.32Å; L36-E141 HydrophobicContact CD1-CG 3.68Å; L36-E141 WeakPolarHBondContact CD2-OE2 3.48Å; L36-I142 HydrophobicContact CB-CD1 4.35Å; L36-I142 HydrophobicContact CB-CG1 3.96Å; L36-L145 HydrophobicContact CD1-CD1 3.55Å |
| 37 | I | 86 | Confident | 82.2 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.2 | -67.7 | 167.6 | 0 | 0 | 0 | 110.1 | R33 A39 W40 Q41 I142 | R33-I37 HydrophobicContact CG-CD1 3.96Å; R33-I37 WeakPolarHBondContact O-CG1 3.48Å; R33-I37 PolarHBondContact O-N 3.26Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 3.37Å; I37-W40 PolarHBondContact O-N 2.95Å; I37-Q41 HydrophobicContact CG2-CG 4.49Å; I37-Q41 WeakPolarHBondContact O-CG 3.43Å; I37-Q41 PolarHBondContact O-N 2.87Å; I37-I142 HydrophobicContact CG1-CD1 4.12Å |
| 38 | T | 90.1 | Very high | 82.9 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 32% | 0.319 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | M1 Q34 L35 L36 Q41 A42 | M1-T38 HydrophobicContact CE-CG2 4.03Å; Q34-T38 WeakPolarHBondContact O-CB 3.34Å; Q34-T38 PolarHBondContact O-N 2.96Å; Q34-T38 PolarHBondContact O-OG1 3.14Å; L35-T38 PolarHBondContact O-N 3.03Å; L36-T38 VanDerWaalsContact C-N 3.3Å; L36-T38 PolarHBondContact O-N 3.42Å; T38-Q41 PolarHBondContact O-N 2.8Å; T38-A42 VanDerWaalsContact O-CB 3.32Å; T38-A42 WeakPolarHBondContact O-CB 3.1Å; T38-A42 PolarHBondContact O-N 3Å |
| 39 | A | 85.9 | Confident | 83 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 L35 L36 I37 A42 T43 L138 | M1-A39 HydrophobicContact SD-CB 4.36Å; L35-A39 WeakPolarHBondContact O-CB 3.38Å; L35-A39 PolarHBondContact O-N 2.91Å; L36-A39 PolarHBondContact O-N 3.46Å; I37-A39 VanDerWaalsContact C-N 3.34Å; I37-A39 PolarHBondContact O-N 3.37Å; A39-A42 PolarHBondContact O-N 2.82Å; A39-T43 WeakPolarHBondContact O-CG2 3.12Å; A39-T43 PolarHBondContact O-N 3.23Å; A39-T43 PolarHBondContact O-OG1 2.95Å; A39-L138 HydrophobicContact CB-CD1 4Å; A39-L138 HydrophobicContact CB-CD2 4.27Å |
| 40 | W | 85.7 | Confident | 82.5 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 35% | 0.352 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 177.2 | 179.8 | 83.9 | 0 | 0 | 0 | 112.2 | L36 I37 T43 A44 L138 I142 | L36-W40 WeakPolarHBondContact O-CB 3.37Å; L36-W40 PolarHBondContact O-N 3.4Å; I37-W40 PolarHBondContact O-N 2.95Å; W40-T43 WeakPolarHBondContact CA-OG1 3.49Å; W40-T43 PolarHBondContact O-N 2.96Å; W40-T43 PolarHBondContact O-OG1 3.43Å; W40-A44 WeakPolarHBondContact O-CB 3.44Å; W40-A44 PolarHBondContact O-N 2.94Å; W40-L138 HydrophobicContact CB-CB 4.32Å; W40-L138 HydrophobicContact CB-CD1 4.43Å; W40-I142 HydrophobicContact CB-CD1 4.06Å; W40-I142 HydrophobicContact CG-CD1 4.35Å |
| 41 | Q | 88.9 | Confident | 81.5 | Confident | 97 Ų | 97 | 61.1 Ų | 61.1 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 172.9 | -72.3 | 174.3 | -13.6 | 0 | 0 | 111.3 | I37 T38 T43 A44 L45 | I37-Q41 HydrophobicContact CG2-CG 4.49Å; I37-Q41 WeakPolarHBondContact O-CG 3.43Å; I37-Q41 PolarHBondContact O-N 2.87Å; T38-Q41 PolarHBondContact O-N 2.8Å; Q41-T43 PolarHBondContact O-N 2.73Å; Q41-A44 PolarHBondContact O-N 2.87Å; Q41-L45 WeakPolarHBondContact O-CB 3.41Å; Q41-L45 WeakPolarHBondContact O-CG 3.4Å; Q41-L45 PolarHBondContact O-N 2.92Å |
| 42 | A | 85.9 | Confident | 80 | Confident | 36 Ų | 36 | 63 Ų | 63 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68.1 | -32.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T38 A39 R46 | T38-A42 VanDerWaalsContact O-CB 3.32Å; T38-A42 WeakPolarHBondContact O-CB 3.1Å; T38-A42 PolarHBondContact O-N 3Å; A39-A42 PolarHBondContact O-N 2.82Å; A42-R46 PolarHBondContact O-N 3.47Å; A42-R46 PolarHBondContact O-NE 3.32Å |
| 43 | T | 82.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73.9 | -41 | 171.2 | 51 | 0 | 0 | 0 | 0 | 111.4 | A39 W40 Q41 L45 R46 L47 E134 L138 | A39-T43 WeakPolarHBondContact O-CG2 3.12Å; A39-T43 PolarHBondContact O-N 3.23Å; A39-T43 PolarHBondContact O-OG1 2.95Å; W40-T43 WeakPolarHBondContact CA-OG1 3.49Å; W40-T43 PolarHBondContact O-N 2.96Å; W40-T43 PolarHBondContact O-OG1 3.43Å; Q41-T43 PolarHBondContact O-N 2.73Å; T43-L45 VanDerWaalsContact C-N 3.33Å; T43-L45 PolarHBondContact O-N 3.33Å; T43-R46 VanDerWaalsContact CG2-NH2 3.26Å; T43-R46 PolarHBondContact O-N 3.46Å; T43-L47 PolarHBondContact O-N 2.88Å; T43-L47 VanDerWaalsContact O-N 3.09Å; T43-E134 HydrophobicContact CG2-CG 4.22Å; T43-L138 HydrophobicContact CG2-CD1 4.19Å |
| 44 | A | 83.8 | Confident | 76.7 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W40 Q41 R46 L47 T48 | W40-A44 WeakPolarHBondContact O-CB 3.44Å; W40-A44 PolarHBondContact O-N 2.94Å; Q41-A44 PolarHBondContact O-N 2.87Å; A44-R46 PolarHBondContact O-N 2.87Å; A44-L47 PolarHBondContact O-N 3.15Å; A44-T48 WeakPolarHBondContact O-CG2 3.32Å; A44-T48 PolarHBondContact O-N 2.74Å; A44-T48 PolarHBondContact O-OG1 3.2Å |
| 45 | L | 86.2 | Confident | 74.8 | Confident | 97 Ų | 97 | 79.3 Ų | 79.3 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.4 | -75.1 | 171.6 | 0 | 0 | 0 | 111.8 | Q41 T43 L47 T48 H49 | Q41-L45 WeakPolarHBondContact O-CB 3.41Å; Q41-L45 WeakPolarHBondContact O-CG 3.4Å; Q41-L45 PolarHBondContact O-N 2.92Å; T43-L45 VanDerWaalsContact C-N 3.33Å; T43-L45 PolarHBondContact O-N 3.33Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-L47 PolarHBondContact O-N 3.23Å; L45-T48 WeakPolarHBondContact CA-OG1 3.48Å; L45-T48 PolarHBondContact O-N 2.96Å; L45-T48 VanDerWaalsContact O-N 3.15Å; L45-T48 PolarHBondContact O-OG1 3.32Å; L45-H49 PolarHBondContact O-CD2 3.41Å; L45-H49 PolarHBondContact O-N 3.47Å |
| 46 | R | 83.3 | Confident | 72.7 | Confident | 95 Ų | 95 | 78.4 Ų | 78.4 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 175.7 | -79 | -177.6 | -81.7 | 152.1 | -9.3 | 111.8 | A42 T43 A44 T48 H49 H50 E131 | A42-R46 PolarHBondContact O-N 3.47Å; A42-R46 PolarHBondContact O-NE 3.32Å; T43-R46 VanDerWaalsContact CG2-NH2 3.26Å; T43-R46 PolarHBondContact O-N 3.46Å; A44-R46 PolarHBondContact O-N 2.87Å; R46-T48 VanDerWaalsContact C-N 3.29Å; R46-T48 PolarHBondContact O-N 2.64Å; R46-H49 PolarHBondContact O-N 2.94Å; R46-H49 VanDerWaalsContact O-N 3.16Å; R46-H50 PolarHBondContact O-CD2 2.97Å; R46-H50 PolarHBondContact O-N 3.42Å; R46-H50 VanDerWaalsContact O-N 3.13Å; R46-E131 WeakPolarHBondContact CD-OE1 3.44Å; R46-E131 IonicContact CZ-OE1 3.08Å; R46-E131 IonicContact NE-OE1 3.26Å; R46-E131 IonicContact NH1-OE1 3.78Å; R46-E131 PolarHBondContact NH1-OE1 3.49Å |
| 47 | L | 81.9 | Confident | 70.6 | Confident | 31 Ų | 31 | 84.2 Ų | 84.2 | 16% | 0.162 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 176.3 | -70 | 169.5 | 0 | 0 | 0 | 112.8 | T43 A44 L45 E131 E132 Q135 | T43-L47 PolarHBondContact O-N 2.88Å; T43-L47 VanDerWaalsContact O-N 3.09Å; A44-L47 PolarHBondContact O-N 3.15Å; L45-L47 VanDerWaalsContact C-N 3.35Å; L45-L47 PolarHBondContact O-N 3.23Å; L47-E131 HydrophobicContact CD2-CB 3.89Å; L47-E131 HydrophobicContact CG-CB 4.3Å; L47-E132 HydrophobicContact CD1-CG 4.09Å; L47-E132 HydrophobicContact CD2-CG 3.91Å; L47-Q135 VanDerWaalsContact CD1-OE1 3.29Å |
| 48 | T | 78.3 | Confident | 68.8 | Low | 87 Ų | 87 | 92 Ų | 92 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.2 | -33 | 176.7 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | A44 L45 R46 H50 | A44-T48 WeakPolarHBondContact O-CG2 3.32Å; A44-T48 PolarHBondContact O-N 2.74Å; A44-T48 PolarHBondContact O-OG1 3.2Å; L45-T48 WeakPolarHBondContact CA-OG1 3.48Å; L45-T48 PolarHBondContact O-N 2.96Å; L45-T48 VanDerWaalsContact O-N 3.15Å; L45-T48 PolarHBondContact O-OG1 3.32Å; R46-T48 VanDerWaalsContact C-N 3.29Å; R46-T48 PolarHBondContact O-N 2.64Å; T48-H50 VanDerWaalsContact C-N 3.29Å; T48-H50 PolarHBondContact O-N 2.96Å |
| 49 | H | 69.6 | Low | 66.6 | Low | 143 Ų | 143 | 94.6 Ų | 94.6 | 66% | 0.662 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -79.8 | -10.9 | 177.9 | -71.3 | -64 | 0 | 0 | 0 | 113.4 | L45 R46 T51 | L45-H49 PolarHBondContact O-CD2 3.41Å; L45-H49 PolarHBondContact O-N 3.47Å; R46-H49 PolarHBondContact O-N 2.94Å; R46-H49 VanDerWaalsContact O-N 3.16Å; H49-T51 PolarHBondContact O-N 2.95Å; H49-T51 VanDerWaalsContact O-N 3.15Å |
| 50 | H | 61.3 | Low | 64.7 | Low | 48 Ų | 48 | 102.6 Ų | 102.6 | 22% | 0.222 | 54% | 0.543 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 22.1 | 172.6 | -69.4 | -49.3 | 0 | 0 | 0 | 114 | R46 T48 H124 R128 E131 | R46-H50 PolarHBondContact O-CD2 2.97Å; R46-H50 PolarHBondContact O-N 3.42Å; R46-H50 VanDerWaalsContact O-N 3.13Å; T48-H50 VanDerWaalsContact C-N 3.29Å; T48-H50 PolarHBondContact O-N 2.96Å; H50-H124 AromaticContact CG-CE1 3.77Å; H50-H124 AromaticContact ND1-CE1 3.56Å; H50-R128 HydrophobicContact CB-CG 4.37Å; H50-E131 IonicContact CD2-OE2 3.47Å; H50-E131 PolarHBondContact CD2-OE2 2.78Å; H50-E131 IonicContact NE2-OE2 2.78Å; H50-E131 PolarHBondContact NE2-OE2 2.99Å |
| 51 | T | 54.2 | Low | 62.7 | Low | 93 Ų | 93 | 102.1 Ų | 102.1 | 57% | 0.571 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -57.9 | 127.3 | 160.6 | 50.5 | 0 | 0 | 0 | 0 | 108 | H49 T53 | H49-T51 PolarHBondContact O-N 2.95Å; H49-T51 VanDerWaalsContact O-N 3.15Å; T51-T53 PolarHBondContact O-N 3.31Å |
| 52 | P | 50.9 | Low | 61 | Low | 116 Ų | 116 | 107.2 Ų | 107.2 | 75% | 0.753 | 56% | 0.562 | S | S | * | * | trans | -67.4 | 89.8 | 172.7 | 27.9 | -30.5 | 0 | 0 | 0 | 106.7 | E54 | P52-E54 VanDerWaalsContact C-N 3.29Å; P52-E54 PolarHBondContact O-N 3.36Å | ||
| 53 | T | 49.2 | Very low | 59.3 | Low | 118 Ų | 118 | 109.2 Ų | 109.2 | 72% | 0.724 | 57% | 0.574 | S | S | * | * | trans | -54.4 | 106.8 | 160 | 14.2 | 0 | 0 | 0 | 0 | 105.2 | T51 Y55 | T51-T53 PolarHBondContact O-N 3.31Å; T53-Y55 PolarHBondContact O-N 2.95Å | ||
| 54 | E | 45.8 | Very low | 58 | Low | 186 Ų | 186 | 119.2 Ų | 119.2 | 87% | 0.869 | 61% | 0.611 | S | S | * | * | trans | -9 | 87.1 | 170.8 | -62.4 | -179.5 | 156.4 | 0 | 0 | 112.2 | P52 G56 | P52-E54 VanDerWaalsContact C-N 3.29Å; P52-E54 PolarHBondContact O-N 3.36Å; E54-G56 PolarHBondContact O-N 2.88Å | ||
| 55 | Y | 46.1 | Very low | 56.4 | Low | 233 Ų | 233 | 128.4 Ų | 128.4 | 91% | 0.914 | 64% | 0.643 | S | S | * | * | trans | -71 | 84.9 | 165.6 | -112.6 | -84.6 | 0 | 0 | 0 | 106.3 | T53 S57 | T53-Y55 PolarHBondContact O-N 2.95Å; Y55-S57 PolarHBondContact O-N 3.48Å | ||
| 56 | G | 45.1 | Very low | 54.9 | Low | 58 Ų | 58 | 132.2 Ų | 132.2 | 60% | 0.598 | 66% | 0.655 | S | S | * | * | trans | 8.8 | 80.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115 | E54 K58 | E54-G56 PolarHBondContact O-N 2.88Å; G56-K58 PolarHBondContact O-N 3.37Å | ||
| 57 | S | 41.7 | Very low | 53.2 | Low | 121 Ų | 121 | 139.1 Ų | 139.1 | 85% | 0.846 | 68% | 0.681 | S | S | * | * | trans | -65.4 | 71.2 | 139.6 | -76.1 | 0 | 0 | 0 | 0 | 107.1 | Y55 S59 | Y55-S57 PolarHBondContact O-N 3.48Å; S57-S59 PolarHBondContact O-N 3.01Å | ||
| 58 | K | 48.3 | Very low | 51.7 | Low | 195 Ų | 195 | 146 Ų | 146 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -62 | 87.7 | 150.9 | -75.7 | -177.9 | -179.7 | 176.5 | 0 | 103.7 | G56 F60 | G56-K58 PolarHBondContact O-N 3.37Å; K58-F60 PolarHBondContact O-N 2.97Å | ||
| 59 | S | 43.4 | Very low | 50.7 | Low | 107 Ų | 107 | 151.6 Ų | 151.6 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -49.9 | 100.9 | 163.5 | 54.4 | 0 | 0 | 0 | 0 | 105 | S57 D61 | S57-S59 PolarHBondContact O-N 3.01Å; S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 3.21Å | ||
| 60 | F | 45.6 | Very low | 50.1 | Low | 175 Ų | 175 | 150.3 Ų | 150.3 | 77% | 0.768 | 74% | 0.739 | S | S | * | * | trans | -62.3 | 101.4 | 174.7 | -166.2 | -88.5 | 0 | 0 | 0 | 104.4 | K58 R62 | K58-F60 PolarHBondContact O-N 2.97Å; F60-R62 HydrophobicContact CD1-CG 4.45Å; F60-R62 PolarHBondContact O-N 3.32Å | ||
| 61 | D | 44.7 | Very low | 49.7 | Very low | 84 Ų | 84 | 159.7 Ų | 159.7 | 45% | 0.449 | 77% | 0.772 | S | S | . | * | trans | -62.5 | 82.7 | -176 | -173.9 | 10.8 | 0 | 0 | 0 | 108.6 | S59 S63 R64 | S59-D61 VanDerWaalsContact C-N 3.25Å; S59-D61 PolarHBondContact O-N 3.21Å; D61-S63 VanDerWaalsContact CG-OG 3.31Å; D61-S63 PolarHBondContact O-N 2.66Å; D61-S63 WeakPolarHBondContact OD1-CB 3.48Å; D61-S63 PolarHBondContact OD1-N 2.92Å; D61-S63 PolarHBondContact OD1-OG 2.84Å; D61-S63 PolarHBondContact OD2-OG 3.47Å; D61-R64 IonicContact OD2-NE 3.97Å | ||
| 62 | R | 52.3 | Low | 49.7 | Very low | 203 Ų | 203 | 166.3 Ų | 166.3 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -66.8 | 2.9 | 175.8 | -111 | 178.5 | 175 | -172.9 | -2.3 | 111.5 | F60 R64 | F60-R62 HydrophobicContact CD1-CG 4.45Å; F60-R62 PolarHBondContact O-N 3.32Å; R62-R64 VanDerWaalsContact C-N 3.32Å |
| 63 | S | 50.5 | Low | 49.8 | Very low | 78 Ų | 78 | 165.4 Ų | 165.4 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | G | 310 helix | trans | -74.9 | -17.2 | 176.8 | 83 | 0 | 0 | 0 | 0 | 113.5 | D61 Y65 | D61-S63 VanDerWaalsContact CG-OG 3.31Å; D61-S63 PolarHBondContact O-N 2.66Å; D61-S63 WeakPolarHBondContact OD1-CB 3.48Å; D61-S63 PolarHBondContact OD1-N 2.92Å; D61-S63 PolarHBondContact OD1-OG 2.84Å; D61-S63 PolarHBondContact OD2-OG 3.47Å; S63-Y65 PolarHBondContact O-N 3.09Å |
| 64 | R | 55.1 | Low | 49.9 | Very low | 211 Ų | 211 | 165.9 Ų | 165.9 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -85.5 | 0.2 | -177.7 | -83.3 | -168.1 | -115.7 | -163.8 | -1.6 | 117.5 | D61 R62 | D61-R64 IonicContact OD2-NE 3.97Å; R62-R64 VanDerWaalsContact C-N 3.32Å |
| 65 | Y | 50.6 | Low | 50.2 | Low | 217 Ų | 217 | 166.1 Ų | 166.1 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -111.6 | 24.6 | 174.6 | -78 | -81.8 | 0 | 0 | 0 | 114.2 | S63 | S63-Y65 PolarHBondContact O-N 3.09Š|
| 66 | K | 55.1 | Low | 50.5 | Low | 178 Ų | 178 | 158.3 Ų | 158.3 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | -119.6 | 68.2 | 173.6 | -73.1 | -173 | 179.8 | 178.3 | 0 | 111.9 | ||||
| 67 | R | 48.1 | Very low | 50.8 | Low | 240 Ų | 240 | 165.3 Ų | 165.3 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -179.2 | 92.1 | 154.6 | -106.8 | 164.8 | -163.7 | -142.2 | 5.5 | 110.8 | ||||
| 68 | L | 49.9 | Very low | 51.5 | Low | 176 Ų | 176 | 168.9 Ų | 168.9 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -162.2 | 71.8 | 145.9 | -97.7 | 160.1 | 0 | 0 | 0 | 105 | P70 | L68-P70 WeakPolarHBondContact O-CD 3.44Š| ||
| 69 | K | 58 | Low | 51.7 | Low | 204 Ų | 204 | 169.6 Ų | 169.6 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -70.4 | 123.8 | 165.9 | -79.8 | -168.8 | 177.3 | -177.1 | 0 | 106.7 | R71 | K69-R71 PolarHBondContact O-N 3.4Š| ||
| 70 | P | 56.9 | Low | 52.5 | Low | 116 Ų | 116 | 169.3 Ų | 169.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -65.3 | 121.7 | 171.6 | 24.9 | -29.3 | 0 | 0 | 0 | 108.4 | L68 R72 | L68-P70 WeakPolarHBondContact O-CD 3.44Å; P70-R72 PolarHBondContact O-N 2.95Å | ||
| 71 | R | 52.5 | Low | 53 | Low | 245 Ų | 245 | 169.7 Ų | 169.7 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -63 | 94.1 | 173.1 | -162.7 | 177 | -179.8 | -177.9 | -0.6 | 107.3 | K69 A73 | K69-R71 PolarHBondContact O-N 3.4Å; R71-A73 PolarHBondContact O-N 3.28Å | ||
| 72 | R | 52.9 | Low | 53.7 | Low | 231 Ų | 231 | 170.7 Ų | 170.7 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -66.9 | 99.9 | 169.2 | -87.1 | -174.9 | 172.9 | -176.9 | -2.7 | 107.8 | P70 T74 | P70-R72 PolarHBondContact O-N 2.95Å; R72-T74 PolarHBondContact O-N 3.32Å | ||
| 73 | A | 53.5 | Low | 54.2 | Low | 97 Ų | 97 | 166.2 Ų | 166.2 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -69 | 103.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | R71 Q75 | R71-A73 PolarHBondContact O-N 3.28Å; A73-Q75 PolarHBondContact O-N 2.96Å | ||
| 74 | T | 51.8 | Low | 54.6 | Low | 129 Ų | 129 | 166 Ų | 166 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -76.1 | 99.9 | 163.6 | 41.8 | 0 | 0 | 0 | 0 | 108.2 | R72 | R72-T74 PolarHBondContact O-N 3.32Š| ||
| 75 | Q | 52.9 | Low | 54.6 | Low | 190 Ų | 190 | 164.5 Ų | 164.5 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -146.4 | 133.8 | 154.8 | -78 | -151.3 | -2 | 0 | 0 | 110.3 | A73 | A73-Q75 PolarHBondContact O-N 2.96Š| ||
| 76 | G | 51.6 | Low | 54.9 | Low | 70 Ų | 70 | 158.9 Ų | 158.9 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 85.8 | 88.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 77 | K | 50.9 | Low | 55 | Low | 205 Ų | 205 | 156.8 Ų | 156.8 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | 29.8 | 105.2 | 123.1 | -61.7 | -178.5 | 176.4 | -179.9 | 0 | 116.6 | |||||
| 78 | K | 57.1 | Low | 55.4 | Low | 196 Ų | 196 | 147.4 Ų | 147.4 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | -176.5 | 119.5 | 123.6 | -102.4 | 171.7 | -177.2 | -178.3 | 0 | 108.9 | V80 | K78-V80 HydrophobicContact CB-CG2 4.41Å; K78-V80 PolarHBondContact O-N 3.16Å; K78-V80 VanDerWaalsContact O-N 3.12Å | |||
| 79 | K | 52.7 | Low | 55.8 | Low | 209 Ų | 209 | 144 Ų | 144 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | trans | -73.7 | 93.8 | 171.4 | -135.9 | -176.3 | -177.2 | -169.1 | 0 | 105.8 | ||||
| 80 | V | 59 | Low | 55.8 | Low | 101 Ų | 101 | 142.6 Ų | 142.6 | 61% | 0.612 | 72% | 0.719 | S | S | * | * | trans | -111.5 | 115.9 | 166.4 | 179.2 | 0 | 0 | 0 | 0 | 105.1 | K78 D82 | K78-V80 HydrophobicContact CB-CG2 4.41Å; K78-V80 PolarHBondContact O-N 3.16Å; K78-V80 VanDerWaalsContact O-N 3.12Å; V80-D82 PolarHBondContact O-N 3.49Å | ||
| 81 | E | 57.3 | Low | 55.9 | Low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -70.5 | 81.2 | 174 | -70.4 | 179.5 | 162.4 | 0 | 0 | 108.3 | P83 | E81-P83 WeakPolarHBondContact O-CD 3.17Š| ||
| 82 | D | 59.7 | Low | 56.1 | Low | 106 Ų | 106 | 139.5 Ų | 139.5 | 57% | 0.567 | 70% | 0.699 | S | S | * | * | trans | -83.9 | 117.5 | 175.1 | -102 | -29.2 | 0 | 0 | 0 | 110.1 | V80 A84 Y85 | V80-D82 PolarHBondContact O-N 3.49Å; D82-A84 PolarHBondContact O-N 3.13Å; D82-Y85 PolarHBondContact O-N 3.15Å; D82-Y85 VanDerWaalsContact O-N 3.08Å | ||
| 83 | P | 61.6 | Low | 56.4 | Low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -9.9 | 176.4 | 23.9 | -31.7 | 0 | 0 | 0 | 113.4 | E81 Y85 | E81-P83 WeakPolarHBondContact O-CD 3.17Å; P83-Y85 PolarHBondContact O-N 3.01Å |
| 84 | A | 60.1 | Low | 56.7 | Low | 73 Ų | 73 | 135.8 Ų | 135.8 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64.9 | -22.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D82 E86 | D82-A84 PolarHBondContact O-N 3.13Å; A84-E86 PolarHBondContact O-N 3.32Å |
| 85 | Y | 55.1 | Low | 56.9 | Low | 180 Ų | 180 | 137.6 Ų | 137.6 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.1 | -25.5 | -178.1 | -155.5 | -99.3 | 0 | 0 | 0 | 113.4 | D82 P83 | D82-Y85 PolarHBondContact O-N 3.15Å; D82-Y85 VanDerWaalsContact O-N 3.08Å; P83-Y85 PolarHBondContact O-N 3.01Å |
| 86 | E | 55.8 | Low | 57.1 | Low | 100 Ų | 100 | 132.2 Ų | 132.2 | 47% | 0.467 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -79.9 | -30 | 177.1 | -82.4 | -67 | 128.6 | 0 | 0 | 112.6 | A84 G88 K89 R90 | A84-E86 PolarHBondContact O-N 3.32Å; E86-G88 VanDerWaalsContact C-N 3.32Å; E86-G88 PolarHBondContact O-N 3.33Å; E86-K89 PolarHBondContact O-N 3.38Å; E86-K89 IonicContact OE1-NZ 2.85Å; E86-K89 PolarHBondContact OE1-NZ 3.4Å; E86-R90 PolarHBondContact O-N 2.94Å |
| 87 | H | 57.2 | Low | 57.6 | Low | 133 Ų | 133 | 136.4 Ų | 136.4 | 62% | 0.616 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.5 | -34.2 | 173.3 | -103.8 | 52.3 | 0 | 0 | 0 | 112.6 | K89 R90 N91 | H87-K89 VanDerWaalsContact C-N 3.33Å; H87-K89 PolarHBondContact O-N 2.91Å; H87-R90 PolarHBondContact O-N 3.49Å; H87-N91 PolarHBondContact O-N 3.23Å |
| 88 | G | 57.9 | Low | 58.1 | Low | 43 Ų | 43 | 133.5 Ų | 133.5 | 44% | 0.443 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.3 | -31.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | E86 R92 | E86-G88 VanDerWaalsContact C-N 3.32Å; E86-G88 PolarHBondContact O-N 3.33Å; G88-R92 PolarHBondContact O-N 3.49Å |
| 89 | K | 58.2 | Low | 58.4 | Low | 105 Ų | 105 | 126 Ų | 126 | 46% | 0.457 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -75.5 | -36.4 | 177.1 | -70 | -176.1 | -167.4 | 158.5 | 0 | 112.5 | E86 H87 R92 R93 | E86-K89 PolarHBondContact O-N 3.38Å; E86-K89 IonicContact OE1-NZ 2.85Å; E86-K89 PolarHBondContact OE1-NZ 3.4Å; H87-K89 VanDerWaalsContact C-N 3.33Å; H87-K89 PolarHBondContact O-N 2.91Å; K89-R92 PolarHBondContact O-N 3.32Å; K89-R93 PolarHBondContact O-N 3.36Å |
| 90 | R | 58 | Low | 59.4 | Low | 175 Ų | 175 | 120.2 Ų | 120.2 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.4 | -41.9 | 176.1 | -71.9 | -174.7 | -176.2 | -179.7 | 0.7 | 111.5 | E86 H87 R92 R93 A94 | E86-R90 PolarHBondContact O-N 2.94Å; H87-R90 PolarHBondContact O-N 3.49Å; R90-R92 PolarHBondContact O-N 3Å; R90-R93 PolarHBondContact O-N 2.93Å; R90-A94 PolarHBondContact O-N 2.95Å |
| 91 | N | 58.3 | Low | 60.3 | Low | 95 Ų | 95 | 119.2 Ų | 119.2 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.6 | -39.2 | 175.5 | -86.7 | -12.1 | 0 | 0 | 0 | 112.9 | H87 R93 A94 Y95 | H87-N91 PolarHBondContact O-N 3.23Å; N91-R93 VanDerWaalsContact C-N 3.29Å; N91-R93 PolarHBondContact O-N 3.25Å; N91-A94 PolarHBondContact O-N 3.42Å; N91-Y95 HydrophobicContact CB-CE2 4.39Å; N91-Y95 WeakPolarHBondContact O-CD2 3.2Å; N91-Y95 PolarHBondContact O-N 2.96Å |
| 92 | R | 57.8 | Low | 61.3 | Low | 201 Ų | 201 | 117.6 Ų | 117.6 | 76% | 0.758 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.1 | -37 | 175.5 | -90.5 | -171.8 | -179.5 | -172.8 | 1.2 | 113.4 | G88 K89 R90 T96 | G88-R92 PolarHBondContact O-N 3.49Å; K89-R92 PolarHBondContact O-N 3.32Å; R90-R92 PolarHBondContact O-N 3Å; R92-T96 PolarHBondContact O-N 2.88Å; R92-T96 VanDerWaalsContact O-N 3.13Å; R92-T96 PolarHBondContact O-OG1 3.47Å |
| 93 | R | 58.4 | Low | 62.4 | Low | 199 Ų | 199 | 117.9 Ų | 117.9 | 75% | 0.751 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.8 | -38.7 | 177 | -70.8 | -175.7 | 178.9 | -176.4 | 0 | 111.7 | K89 R90 N91 T96 Q97 | K89-R93 PolarHBondContact O-N 3.36Å; R90-R93 PolarHBondContact O-N 2.93Å; N91-R93 VanDerWaalsContact C-N 3.29Å; N91-R93 PolarHBondContact O-N 3.25Å; R93-T96 PolarHBondContact O-N 3.39Å; R93-Q97 PolarHBondContact O-N 3.27Å; R93-Q97 VanDerWaalsContact O-N 3.13Å |
| 94 | A | 58.7 | Low | 63.5 | Low | 51 Ų | 51 | 117.1 Ų | 117.1 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.1 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R90 N91 T96 Q97 Q98 | R90-A94 PolarHBondContact O-N 2.95Å; N91-A94 PolarHBondContact O-N 3.42Å; A94-T96 VanDerWaalsContact C-N 3.32Å; A94-T96 PolarHBondContact O-N 3.44Å; A94-Q97 PolarHBondContact O-N 2.99Å; A94-Q98 PolarHBondContact O-N 2.81Å |
| 95 | Y | 56.1 | Low | 64.7 | Low | 167 Ų | 167 | 119.4 Ų | 119.4 | 66% | 0.655 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67 | -31.7 | 175.9 | -75.2 | -71.2 | 0 | 0 | 0 | 113.2 | N91 S99 | N91-Y95 HydrophobicContact CB-CE2 4.39Å; N91-Y95 WeakPolarHBondContact O-CD2 3.2Å; N91-Y95 PolarHBondContact O-N 2.96Å; Y95-S99 WeakPolarHBondContact O-CB 3.15Å; Y95-S99 PolarHBondContact O-N 3.41Å |
| 96 | T | 58.5 | Low | 66.4 | Low | 76 Ų | 76 | 115.4 Ų | 115.4 | 47% | 0.466 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.9 | -45.7 | 177.9 | -51.2 | 0 | 0 | 0 | 0 | 110.3 | R92 R93 A94 Q98 S99 E100 | R92-T96 PolarHBondContact O-N 2.88Å; R92-T96 VanDerWaalsContact O-N 3.13Å; R92-T96 PolarHBondContact O-OG1 3.47Å; R93-T96 PolarHBondContact O-N 3.39Å; A94-T96 VanDerWaalsContact C-N 3.32Å; A94-T96 PolarHBondContact O-N 3.44Å; T96-Q98 PolarHBondContact O-N 2.84Å; T96-S99 PolarHBondContact O-N 3.4Å; T96-S99 PolarHBondContact O-OG 3.04Å; T96-E100 PolarHBondContact O-N 2.88Å |
| 97 | Q | 60.5 | Low | 68 | Low | 159 Ų | 159 | 116 Ų | 116 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.9 | -37.2 | 179 | -82.2 | -177.7 | -4.2 | 0 | 0 | 113.6 | R93 A94 | R93-Q97 PolarHBondContact O-N 3.27Å; R93-Q97 VanDerWaalsContact O-N 3.13Å; A94-Q97 PolarHBondContact O-N 2.99Å |
| 98 | Q | 61.4 | Low | 69.6 | Low | 144 Ų | 144 | 113 Ų | 113 | 67% | 0.673 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -74.5 | -23.1 | 176.4 | -73.9 | -167.2 | -2.8 | 0 | 0 | 113.7 | A94 T96 P101 F102 | A94-Q98 PolarHBondContact O-N 2.81Å; T96-Q98 PolarHBondContact O-N 2.84Å; Q98-P101 WeakPolarHBondContact O-CD 3.4Å; Q98-P101 WeakPolarHBondContact O-CG 3.26Å; Q98-F102 WeakPolarHBondContact O-CD2 3.33Å |
| 99 | S | 65.1 | Low | 71.2 | Confident | 39 Ų | 39 | 115.6 Ų | 115.6 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -81.8 | -24.3 | -177.3 | 76 | 0 | 0 | 0 | 0 | 114.5 | Y95 T96 F102 K103 | Y95-S99 WeakPolarHBondContact O-CB 3.15Å; Y95-S99 PolarHBondContact O-N 3.41Å; T96-S99 PolarHBondContact O-N 3.4Å; T96-S99 PolarHBondContact O-OG 3.04Å; S99-F102 PolarHBondContact O-N 3.47Å; S99-K103 WeakPolarHBondContact O-CG 3.48Å; S99-K103 PolarHBondContact O-N 3.38Å; S99-K103 PolarHBondContact OG-NZ 3.25Å |
| 100 | E | 72.7 | Confident | 72.8 | Confident | 86 Ų | 86 | 117.4 Ų | 117.4 | 40% | 0.402 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.7 | -47.6 | -178.6 | -65.7 | -51.7 | 127.2 | 0 | 0 | 113.9 | T96 F102 K103 T104 | T96-E100 PolarHBondContact O-N 2.88Å; E100-F102 VanDerWaalsContact C-N 3.28Å; E100-F102 PolarHBondContact O-N 3.03Å; E100-K103 PolarHBondContact O-N 3.47Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-K103 IonicContact OE1-NZ 2.73Å; E100-K103 PolarHBondContact OE1-NZ 3.43Å; E100-T104 PolarHBondContact O-N 2.73Å; E100-T104 PolarHBondContact O-OG1 3.46Å |
| 101 | P | 77.7 | Confident | 74.5 | Confident | 80 Ų | 80 | 113.3 Ų | 113.3 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.5 | -35 | 179.7 | 23.3 | -34.3 | 0 | 0 | 0 | 113 | Q98 T104 L105 | Q98-P101 WeakPolarHBondContact O-CD 3.4Å; Q98-P101 WeakPolarHBondContact O-CG 3.26Å; P101-T104 PolarHBondContact O-N 3.15Å; P101-L105 WeakPolarHBondContact O-CB 3.5Å; P101-L105 PolarHBondContact O-N 3.28Å |
| 102 | F | 79.1 | Confident | 76.2 | Confident | 150 Ų | 150 | 112.8 Ų | 112.8 | 66% | 0.658 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.3 | -37.1 | 176 | -71.9 | -77 | 0 | 0 | 0 | 112.6 | Q98 S99 E100 L106 | Q98-F102 WeakPolarHBondContact O-CD2 3.33Å; S99-F102 PolarHBondContact O-N 3.47Å; E100-F102 VanDerWaalsContact C-N 3.28Å; E100-F102 PolarHBondContact O-N 3.03Å; F102-L106 VanDerWaalsContact O-CB 3.31Å; F102-L106 WeakPolarHBondContact O-CB 3.45Å; F102-L106 PolarHBondContact O-N 3.43Å |
| 103 | K | 82.4 | Confident | 77.8 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 174.7 | -69 | 173.6 | -165.1 | 163.6 | 0 | 111.1 | S99 E100 L106 L107 | S99-K103 WeakPolarHBondContact O-CG 3.48Å; S99-K103 PolarHBondContact O-N 3.38Å; S99-K103 PolarHBondContact OG-NZ 3.25Å; E100-K103 PolarHBondContact O-N 3.47Å; E100-K103 VanDerWaalsContact O-N 3.1Å; E100-K103 IonicContact OE1-NZ 2.73Å; E100-K103 PolarHBondContact OE1-NZ 3.43Å; K103-L106 PolarHBondContact O-N 2.9Å; K103-L107 WeakPolarHBondContact O-CB 3.39Å; K103-L107 PolarHBondContact O-N 3.5Å |
| 104 | T | 83.8 | Confident | 79.5 | Confident | 91 Ų | 91 | 101.3 Ų | 101.3 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.1 | -43.4 | 178.2 | -41.4 | 0 | 0 | 0 | 0 | 111.1 | E100 P101 L107 S108 | E100-T104 PolarHBondContact O-N 2.73Å; E100-T104 PolarHBondContact O-OG1 3.46Å; P101-T104 PolarHBondContact O-N 3.15Å; T104-L107 PolarHBondContact O-N 2.92Å; T104-S108 WeakPolarHBondContact O-CB 3.32Å; T104-S108 PolarHBondContact O-N 3.31Å |
| 105 | L | 87.1 | Confident | 81.1 | Confident | 121 Ų | 121 | 104.1 Ų | 104.1 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 176 | -173.3 | 69.1 | 0 | 0 | 0 | 111.9 | P101 L107 S108 H109 | P101-L105 WeakPolarHBondContact O-CB 3.5Å; P101-L105 PolarHBondContact O-N 3.28Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.94Å; L105-S108 PolarHBondContact O-N 3.09Å; L105-H109 PolarHBondContact O-N 3.11Å |
| 106 | L | 89.8 | Confident | 82.9 | Confident | 96 Ų | 96 | 103.1 Ų | 103.1 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.6 | -175 | 70.2 | 0 | 0 | 0 | 111.8 | F102 K103 R110 | F102-L106 VanDerWaalsContact O-CB 3.31Å; F102-L106 WeakPolarHBondContact O-CB 3.45Å; F102-L106 PolarHBondContact O-N 3.43Å; K103-L106 PolarHBondContact O-N 2.9Å; L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.41Å; L106-R110 VanDerWaalsContact O-N 3.14Å |
| 107 | L | 90.3 | Very high | 84.6 | Confident | 112 Ų | 112 | 106 Ų | 106 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.3 | -43.6 | 176.9 | -169 | 66.5 | 0 | 0 | 0 | 110.8 | K103 T104 L105 R110 V111 | K103-L107 WeakPolarHBondContact O-CB 3.39Å; K103-L107 PolarHBondContact O-N 3.5Å; T104-L107 PolarHBondContact O-N 2.92Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-L107 PolarHBondContact O-N 2.94Å; L107-R110 PolarHBondContact O-N 3.4Å; L107-V111 WeakPolarHBondContact O-CG2 3.32Å; L107-V111 PolarHBondContact O-N 3.15Å |
| 108 | S | 90.1 | Very high | 86.2 | Confident | 70 Ų | 70 | 105.3 Ų | 105.3 | 49% | 0.49 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 112 | T104 L105 R110 V111 E112 | T104-S108 WeakPolarHBondContact O-CB 3.32Å; T104-S108 PolarHBondContact O-N 3.31Å; L105-S108 PolarHBondContact O-N 3.09Å; S108-R110 VanDerWaalsContact C-N 3.28Å; S108-R110 PolarHBondContact O-N 3Å; S108-V111 PolarHBondContact O-N 3.42Å; S108-V111 VanDerWaalsContact O-N 3.15Å; S108-E112 WeakPolarHBondContact O-CB 3.48Å; S108-E112 PolarHBondContact O-N 3.49Å |
| 109 | H | 90.3 | Very high | 87.8 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 45% | 0.454 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -36.9 | 176.2 | -179.9 | -83 | 0 | 0 | 0 | 112.5 | L105 Q113 | L105-H109 PolarHBondContact O-N 3.11Å; H109-Q113 WeakPolarHBondContact O-CB 3.24Å; H109-Q113 PolarHBondContact O-N 3.1Å |
| 110 | R | 92.6 | Very high | 89.1 | Confident | 143 Ų | 143 | 108 Ų | 108 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.9 | -40.6 | 175.2 | -78 | -179.4 | 177.3 | -178.4 | 0.9 | 112.6 | L106 L107 S108 Q113 A114 | L106-R110 WeakPolarHBondContact O-CG 3.35Å; L106-R110 PolarHBondContact O-N 3.41Å; L106-R110 VanDerWaalsContact O-N 3.14Å; L107-R110 PolarHBondContact O-N 3.4Å; S108-R110 VanDerWaalsContact C-N 3.28Å; S108-R110 PolarHBondContact O-N 3Å; R110-Q113 PolarHBondContact O-N 3.42Å; R110-A114 WeakPolarHBondContact O-CB 3.38Å; R110-A114 PolarHBondContact O-N 3.49Å |
| 111 | V | 93.8 | Very high | 90.1 | Very high | 90 Ų | 90 | 109.5 Ų | 109.5 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 175.4 | 172 | 0 | 0 | 0 | 0 | 110 | L107 S108 Q113 A114 E115 | L107-V111 WeakPolarHBondContact O-CG2 3.32Å; L107-V111 PolarHBondContact O-N 3.15Å; S108-V111 PolarHBondContact O-N 3.42Å; S108-V111 VanDerWaalsContact O-N 3.15Å; V111-Q113 PolarHBondContact O-N 3.1Å; V111-A114 PolarHBondContact O-N 3.43Å; V111-E115 WeakPolarHBondContact O-CB 3.26Å; V111-E115 PolarHBondContact O-N 3Å |
| 112 | E | 93 | Very high | 90.9 | Very high | 84 Ų | 84 | 108.6 Ų | 108.6 | 39% | 0.393 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 176.4 | -171.7 | -172.2 | 161.9 | 0 | 0 | 111.9 | S108 E115 R116 | S108-E112 WeakPolarHBondContact O-CB 3.48Å; S108-E112 PolarHBondContact O-N 3.49Å; E112-E115 PolarHBondContact O-N 2.7Å; E112-R116 WeakPolarHBondContact O-CG 3.34Å; E112-R116 PolarHBondContact O-N 3.33Å; E112-R116 IonicContact OE1-CZ 3.86Å; E112-R116 VanDerWaalsContact OE1-CZ 3.26Å; E112-R116 IonicContact OE1-NE 2.78Å; E112-R116 IonicContact OE1-NH2 3.63Å; E112-R116 PolarHBondContact OE1-NH2 2.96Å |
| 113 | Q | 92.6 | Very high | 91.5 | Very high | 103 Ų | 103 | 103.8 Ų | 103.8 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.1 | -100.1 | -171.3 | -27.3 | 0 | 0 | 112.5 | H109 R110 V111 E115 R116 Q117 | H109-Q113 WeakPolarHBondContact O-CB 3.24Å; H109-Q113 PolarHBondContact O-N 3.1Å; R110-Q113 PolarHBondContact O-N 3.42Å; V111-Q113 PolarHBondContact O-N 3.1Å; Q113-E115 VanDerWaalsContact C-N 3.31Å; Q113-E115 PolarHBondContact O-N 2.8Å; Q113-R116 PolarHBondContact O-N 3.33Å; Q113-Q117 WeakPolarHBondContact O-CG 3.46Å; Q113-Q117 PolarHBondContact O-N 2.93Å |
| 114 | A | 92.9 | Very high | 92 | Very high | 55 Ų | 55 | 101.4 Ų | 101.4 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R110 V111 Q117 K118 | R110-A114 WeakPolarHBondContact O-CB 3.38Å; R110-A114 PolarHBondContact O-N 3.49Å; V111-A114 PolarHBondContact O-N 3.43Å; A114-Q117 PolarHBondContact O-N 2.9Å; A114-K118 WeakPolarHBondContact O-CB 3.48Å; A114-K118 PolarHBondContact O-N 3.46Å |
| 115 | E | 94.2 | Very high | 92.4 | Very high | 110 Ų | 110 | 101.6 Ų | 101.6 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 175.4 | -171.3 | 176 | -176.6 | 0 | 0 | 111.8 | V111 E112 Q113 Q117 K118 Q119 | V111-E115 WeakPolarHBondContact O-CB 3.26Å; V111-E115 PolarHBondContact O-N 3Å; E112-E115 PolarHBondContact O-N 2.7Å; Q113-E115 VanDerWaalsContact C-N 3.31Å; Q113-E115 PolarHBondContact O-N 2.8Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 3.45Å; E115-K118 WeakPolarHBondContact O-CB 3.17Å; E115-K118 PolarHBondContact O-N 2.92Å; E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.24Å |
| 116 | R | 93.2 | Very high | 92.7 | Very high | 147 Ų | 147 | 101.5 Ų | 101.5 | 56% | 0.555 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.3 | -42.8 | 173.7 | -74.8 | -177 | -176.1 | 170 | 5.6 | 112.1 | E112 Q113 Q119 L120 | E112-R116 WeakPolarHBondContact O-CG 3.34Å; E112-R116 PolarHBondContact O-N 3.33Å; E112-R116 IonicContact OE1-CZ 3.86Å; E112-R116 VanDerWaalsContact OE1-CZ 3.26Å; E112-R116 IonicContact OE1-NE 2.78Å; E112-R116 IonicContact OE1-NH2 3.63Å; E112-R116 PolarHBondContact OE1-NH2 2.96Å; Q113-R116 PolarHBondContact O-N 3.33Å; R116-Q119 PolarHBondContact O-N 3.49Å; R116-L120 WeakPolarHBondContact O-CG 3.47Å; R116-L120 PolarHBondContact O-N 2.87Å |
| 117 | Q | 93.5 | Very high | 92.7 | Very high | 135 Ų | 135 | 101.1 Ų | 101.1 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 175.9 | -76.1 | -177 | -17.7 | 0 | 0 | 111.8 | Q113 A114 E115 Q119 L120 Q121 | Q113-Q117 WeakPolarHBondContact O-CG 3.46Å; Q113-Q117 PolarHBondContact O-N 2.93Å; A114-Q117 PolarHBondContact O-N 2.9Å; E115-Q117 VanDerWaalsContact C-N 3.33Å; E115-Q117 PolarHBondContact O-N 3.45Å; Q117-Q119 VanDerWaalsContact C-N 3.34Å; Q117-Q119 PolarHBondContact O-N 3.25Å; Q117-L120 PolarHBondContact O-N 2.95Å; Q117-Q121 PolarHBondContact O-N 2.78Å |
| 118 | K | 94.2 | Very high | 92.7 | Very high | 145 Ų | 145 | 100.2 Ų | 100.2 | 63% | 0.63 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 175.1 | -173.7 | -177.4 | 177.7 | -175.2 | 0 | 111.8 | A114 E115 Q121 V122 | A114-K118 WeakPolarHBondContact O-CB 3.48Å; A114-K118 PolarHBondContact O-N 3.46Å; E115-K118 WeakPolarHBondContact O-CB 3.17Å; E115-K118 PolarHBondContact O-N 2.92Å; K118-Q121 PolarHBondContact O-N 3.01Å; K118-V122 WeakPolarHBondContact O-CG2 3.5Å; K118-V122 PolarHBondContact O-N 3.29Å |
| 119 | Q | 94.6 | Very high | 92.8 | Very high | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.9 | -71.8 | 175.9 | 6.6 | 0 | 0 | 112 | E115 R116 Q117 Q121 V122 A123 | E115-Q119 WeakPolarHBondContact O-CG 3.32Å; E115-Q119 PolarHBondContact O-N 3.24Å; R116-Q119 PolarHBondContact O-N 3.49Å; Q117-Q119 VanDerWaalsContact C-N 3.34Å; Q117-Q119 PolarHBondContact O-N 3.25Å; Q119-Q121 VanDerWaalsContact C-N 3.34Å; Q119-Q121 PolarHBondContact O-N 3.4Å; Q119-V122 PolarHBondContact O-N 3.45Å; Q119-A123 WeakPolarHBondContact O-CB 3.49Å; Q119-A123 PolarHBondContact O-N 2.88Å |
| 120 | L | 94 | Very high | 93 | Very high | 126 Ų | 126 | 105.2 Ų | 105.2 | 66% | 0.66 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 174.9 | -73.3 | 171.7 | 0 | 0 | 0 | 111.9 | R116 Q117 A123 H124 | R116-L120 WeakPolarHBondContact O-CG 3.47Å; R116-L120 PolarHBondContact O-N 2.87Å; Q117-L120 PolarHBondContact O-N 2.95Å; L120-A123 PolarHBondContact O-N 3.25Å; L120-H124 WeakPolarHBondContact O-CB 3.46Å; L120-H124 PolarHBondContact O-N 3.03Å |
| 121 | Q | 93.2 | Very high | 92.8 | Very high | 117 Ų | 117 | 98.9 Ų | 98.9 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -47.7 | 176 | -176.7 | -179.9 | -3 | 0 | 0 | 111.5 | Q117 K118 Q119 A123 H124 E125 | Q117-Q121 PolarHBondContact O-N 2.78Å; K118-Q121 PolarHBondContact O-N 3.01Å; Q119-Q121 VanDerWaalsContact C-N 3.34Å; Q119-Q121 PolarHBondContact O-N 3.4Å; Q121-A123 VanDerWaalsContact C-N 3.32Å; Q121-A123 PolarHBondContact O-N 3.3Å; Q121-H124 PolarHBondContact O-N 3.48Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.32Å; Q121-E125 PolarHBondContact NE2-OE1 2.64Å; Q121-E125 WeakPolarHBondContact O-CG 3.39Å; Q121-E125 PolarHBondContact O-N 2.93Å |
| 122 | V | 93.7 | Very high | 92.7 | Very high | 61 Ų | 61 | 98.9 Ų | 98.9 | 37% | 0.37 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | K118 Q119 H124 E125 Q126 | K118-V122 WeakPolarHBondContact O-CG2 3.5Å; K118-V122 PolarHBondContact O-N 3.29Å; Q119-V122 PolarHBondContact O-N 3.45Å; V122-H124 VanDerWaalsContact C-N 3.35Å; V122-H124 PolarHBondContact O-N 2.96Å; V122-E125 PolarHBondContact O-N 3.11Å; V122-Q126 WeakPolarHBondContact O-CB 3.37Å; V122-Q126 VanDerWaalsContact O-CG 3.32Å; V122-Q126 WeakPolarHBondContact O-CG 3.48Å; V122-Q126 PolarHBondContact O-N 2.95Å |
| 123 | A | 93.1 | Very high | 92.7 | Very high | 50 Ų | 50 | 98.6 Ų | 98.6 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q119 L120 Q121 Q126 E127 | Q119-A123 WeakPolarHBondContact O-CB 3.49Å; Q119-A123 PolarHBondContact O-N 2.88Å; L120-A123 PolarHBondContact O-N 3.25Å; Q121-A123 VanDerWaalsContact C-N 3.32Å; Q121-A123 PolarHBondContact O-N 3.3Å; A123-Q126 PolarHBondContact O-N 3.04Å; A123-E127 WeakPolarHBondContact O-CB 3.35Å; A123-E127 PolarHBondContact O-N 2.68Å |
| 124 | H | 91.6 | Very high | 92.7 | Very high | 62 Ų | 62 | 96 Ų | 96 | 29% | 0.287 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.8 | -43.5 | 176.5 | -179.4 | 62.3 | 0 | 0 | 0 | 112.3 | H50 L120 Q121 V122 E127 R128 | H50-H124 AromaticContact CG-CE1 3.77Å; H50-H124 AromaticContact ND1-CE1 3.56Å; L120-H124 WeakPolarHBondContact O-CB 3.46Å; L120-H124 PolarHBondContact O-N 3.03Å; Q121-H124 PolarHBondContact O-N 3.48Å; V122-H124 VanDerWaalsContact C-N 3.35Å; V122-H124 PolarHBondContact O-N 2.96Å; H124-E127 PolarHBondContact O-N 3.18Å; H124-R128 PolarHBondContact O-N 2.92Å |
| 125 | E | 92.1 | Very high | 92.5 | Very high | 94 Ų | 94 | 95.5 Ų | 95.5 | 44% | 0.439 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.9 | -73 | 172.1 | -170.9 | 0 | 0 | 111.9 | Q121 V122 E127 R128 F129 | Q121-E125 WeakPolarHBondContact CG-OE1 3.32Å; Q121-E125 PolarHBondContact NE2-OE1 2.64Å; Q121-E125 WeakPolarHBondContact O-CG 3.39Å; Q121-E125 PolarHBondContact O-N 2.93Å; V122-E125 PolarHBondContact O-N 3.11Å; E125-E127 VanDerWaalsContact C-N 3.34Å; E125-E127 PolarHBondContact O-N 2.93Å; E125-R128 PolarHBondContact O-N 3.25Å; E125-F129 PolarHBondContact O-N 3.2Å |
| 126 | Q | 94 | Very high | 92.5 | Very high | 120 Ų | 120 | 94.2 Ų | 94.2 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 173.9 | -75 | -179.8 | 3.1 | 0 | 0 | 112.7 | V122 A123 R130 | V122-Q126 WeakPolarHBondContact O-CB 3.37Å; V122-Q126 VanDerWaalsContact O-CG 3.32Å; V122-Q126 WeakPolarHBondContact O-CG 3.48Å; V122-Q126 PolarHBondContact O-N 2.95Å; A123-Q126 PolarHBondContact O-N 3.04Å; Q126-R130 WeakPolarHBondContact O-CB 3.18Å; Q126-R130 PolarHBondContact O-N 3.44Å; Q126-R130 VanDerWaalsContact O-N 3.1Å |
| 127 | E | 90.7 | Very high | 92.5 | Very high | 87 Ų | 87 | 91.2 Ų | 91.2 | 41% | 0.407 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.3 | -47.5 | 175.6 | -175 | 167.7 | -142.9 | 0 | 0 | 111.5 | A123 H124 E125 F129 R130 E131 | A123-E127 WeakPolarHBondContact O-CB 3.35Å; A123-E127 PolarHBondContact O-N 2.68Å; H124-E127 PolarHBondContact O-N 3.18Å; E125-E127 VanDerWaalsContact C-N 3.34Å; E125-E127 PolarHBondContact O-N 2.93Å; E127-F129 VanDerWaalsContact C-N 3.34Å; E127-F129 PolarHBondContact O-N 2.87Å; E127-R130 VanDerWaalsContact O-CB 3.32Å; E127-R130 WeakPolarHBondContact O-CB 3.35Å; E127-R130 PolarHBondContact O-N 2.93Å; E127-R130 VanDerWaalsContact O-N 3.11Å; E127-E131 WeakPolarHBondContact O-CG 3.34Å; E127-E131 PolarHBondContact O-N 3.45Å |
| 128 | R | 88.8 | Confident | 92.4 | Very high | 93 Ų | 93 | 85.3 Ų | 85.3 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 175 | -72.6 | -148.1 | -64.2 | 176.8 | -1.4 | 112.3 | H50 H124 E125 R130 E131 E132 | H50-R128 HydrophobicContact CB-CG 4.37Å; H124-R128 PolarHBondContact O-N 2.92Å; E125-R128 PolarHBondContact O-N 3.25Å; R128-R130 VanDerWaalsContact C-N 3.27Å; R128-R130 PolarHBondContact O-N 2.82Å; R128-E131 PolarHBondContact O-N 3.47Å; R128-E131 VanDerWaalsContact O-N 3.15Å; R128-E132 WeakPolarHBondContact O-CG 3.06Å; R128-E132 PolarHBondContact O-N 3.32Å |
| 129 | F | 93.2 | Very high | 92.3 | Very high | 127 Ų | 127 | 83.6 Ų | 83.6 | 56% | 0.557 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.7 | -40.2 | 177.2 | -177.9 | -102.7 | 0 | 0 | 0 | 112.2 | E125 E127 Q133 | E125-F129 PolarHBondContact O-N 3.2Å; E127-F129 VanDerWaalsContact C-N 3.34Å; E127-F129 PolarHBondContact O-N 2.87Å; F129-Q133 HydrophobicContact CD1-CG 4.46Å; F129-Q133 HydrophobicContact CE1-CG 4.09Å; F129-Q133 HydrophobicContact CZ-CG 4.19Å; F129-Q133 WeakPolarHBondContact O-CG 3.38Å; F129-Q133 PolarHBondContact O-N 3.43Å; F129-Q133 VanDerWaalsContact O-N 3.1Å |
| 130 | R | 93.9 | Very high | 92.3 | Very high | 147 Ų | 147 | 85.7 Ų | 85.7 | 56% | 0.555 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 176.7 | -163.6 | -159.3 | -31.6 | -91.6 | -5.1 | 112 | Q126 E127 R128 Q133 E134 | Q126-R130 WeakPolarHBondContact O-CB 3.18Å; Q126-R130 PolarHBondContact O-N 3.44Å; Q126-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 VanDerWaalsContact O-CB 3.32Å; E127-R130 WeakPolarHBondContact O-CB 3.35Å; E127-R130 PolarHBondContact O-N 2.93Å; E127-R130 VanDerWaalsContact O-N 3.11Å; R128-R130 VanDerWaalsContact C-N 3.27Å; R128-R130 PolarHBondContact O-N 2.82Å; R130-Q133 PolarHBondContact O-N 2.93Å; R130-E134 PolarHBondContact O-N 3.35Å |
| 131 | E | 89.5 | Confident | 92.1 | Very high | 10 Ų | 10 | 82.7 Ų | 82.7 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 179.3 | -68.8 | -167.4 | 145.2 | 0 | 0 | 112.3 | R46 L47 H50 E127 R128 E134 Q135 | R46-E131 WeakPolarHBondContact CD-OE1 3.44Å; R46-E131 IonicContact CZ-OE1 3.08Å; R46-E131 IonicContact NE-OE1 3.26Å; R46-E131 IonicContact NH1-OE1 3.78Å; R46-E131 PolarHBondContact NH1-OE1 3.49Å; L47-E131 HydrophobicContact CD2-CB 3.89Å; L47-E131 HydrophobicContact CG-CB 4.3Å; H50-E131 IonicContact CD2-OE2 3.47Å; H50-E131 PolarHBondContact CD2-OE2 2.78Å; H50-E131 IonicContact NE2-OE2 2.78Å; H50-E131 PolarHBondContact NE2-OE2 2.99Å; E127-E131 WeakPolarHBondContact O-CG 3.34Å; E127-E131 PolarHBondContact O-N 3.45Å; R128-E131 PolarHBondContact O-N 3.47Å; R128-E131 VanDerWaalsContact O-N 3.15Å; E131-E134 PolarHBondContact O-N 3.39Å; E131-Q135 WeakPolarHBondContact O-CB 3.34Å; E131-Q135 PolarHBondContact O-N 3.03Å |
| 132 | E | 90.9 | Very high | 91.9 | Very high | 89 Ų | 89 | 78.1 Ų | 78.1 | 42% | 0.416 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 172.1 | -73.2 | 175.4 | -177.9 | 0 | 0 | 111.7 | L47 R128 Q135 L136 | L47-E132 HydrophobicContact CD1-CG 4.09Å; L47-E132 HydrophobicContact CD2-CG 3.91Å; R128-E132 WeakPolarHBondContact O-CG 3.06Å; R128-E132 PolarHBondContact O-N 3.32Å; E132-Q135 PolarHBondContact O-N 3.23Å; E132-L136 WeakPolarHBondContact O-CG 3.37Å; E132-L136 PolarHBondContact O-N 3.08Å |
| 133 | Q | 93.4 | Very high | 91.8 | Very high | 79 Ų | 79 | 78.9 Ų | 78.9 | 37% | 0.369 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 174.1 | -68.3 | -61.2 | -36.6 | 0 | 0 | 112 | F129 R130 Q135 L136 V137 | F129-Q133 HydrophobicContact CD1-CG 4.46Å; F129-Q133 HydrophobicContact CE1-CG 4.09Å; F129-Q133 HydrophobicContact CZ-CG 4.19Å; F129-Q133 WeakPolarHBondContact O-CG 3.38Å; F129-Q133 PolarHBondContact O-N 3.43Å; F129-Q133 VanDerWaalsContact O-N 3.1Å; R130-Q133 PolarHBondContact O-N 2.93Å; Q133-Q135 VanDerWaalsContact C-N 3.31Å; Q133-Q135 PolarHBondContact O-N 3.1Å; Q133-L136 PolarHBondContact O-N 3.11Å; Q133-V137 WeakPolarHBondContact O-CG2 3.35Å; Q133-V137 PolarHBondContact O-N 3Å |
| 134 | E | 91.5 | Very high | 91.7 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 22% | 0.22 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 175 | -173.9 | 171.6 | 175.2 | 0 | 0 | 111 | K2 T43 R130 E131 V137 L138 | K2-E134 WeakPolarHBondContact CE-OE1 3.31Å; K2-E134 WeakPolarHBondContact CE-OE2 3.47Å; K2-E134 IonicContact NZ-OE1 3.32Å; K2-E134 PolarHBondContact NZ-OE1 3.03Å; K2-E134 IonicContact NZ-OE2 2.64Å; K2-E134 PolarHBondContact NZ-OE2 3.19Å; T43-E134 HydrophobicContact CG2-CG 4.22Å; R130-E134 PolarHBondContact O-N 3.35Å; E131-E134 PolarHBondContact O-N 3.39Å; E134-V137 PolarHBondContact O-N 2.9Å; E134-L138 HydrophobicContact CG-CD1 4.33Å; E134-L138 WeakPolarHBondContact O-CG 3.41Å; E134-L138 PolarHBondContact O-N 3.31Å |
| 135 | Q | 89.4 | Confident | 91.6 | Very high | 45 Ų | 45 | 79.3 Ų | 79.3 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.9 | -166.1 | -175.8 | 30.8 | 0 | 0 | 112.5 | L47 E131 E132 Q133 L138 K139 | L47-Q135 VanDerWaalsContact CD1-OE1 3.29Å; E131-Q135 WeakPolarHBondContact O-CB 3.34Å; E131-Q135 PolarHBondContact O-N 3.03Å; E132-Q135 PolarHBondContact O-N 3.23Å; Q133-Q135 VanDerWaalsContact C-N 3.31Å; Q133-Q135 PolarHBondContact O-N 3.1Å; Q135-L138 PolarHBondContact O-N 3.19Å; Q135-K139 WeakPolarHBondContact O-CB 3.31Å; Q135-K139 PolarHBondContact O-N 3.36Å |
| 136 | L | 93.1 | Very high | 91.4 | Very high | 83 Ų | 83 | 76.4 Ų | 76.4 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 175.9 | -76.5 | 172 | 0 | 0 | 0 | 112.5 | E132 Q133 R140 | E132-L136 WeakPolarHBondContact O-CG 3.37Å; E132-L136 PolarHBondContact O-N 3.08Å; Q133-L136 PolarHBondContact O-N 3.11Å; L136-R140 WeakPolarHBondContact O-CG 3.4Å; L136-R140 PolarHBondContact O-N 3.44Å; L136-R140 VanDerWaalsContact O-N 3.1Å |
| 137 | V | 93.4 | Very high | 91.2 | Very high | 84 Ų | 84 | 76 Ų | 76 | 51% | 0.509 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.5 | -49 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | Q133 E134 K139 R140 E141 | Q133-V137 WeakPolarHBondContact O-CG2 3.35Å; Q133-V137 PolarHBondContact O-N 3Å; E134-V137 PolarHBondContact O-N 2.9Å; V137-K139 VanDerWaalsContact C-N 3.28Å; V137-K139 PolarHBondContact O-N 3.24Å; V137-R140 PolarHBondContact O-N 3.43Å; V137-E141 PolarHBondContact O-N 3.37Å |
| 138 | L | 91.2 | Very high | 90.9 | Very high | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.063 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 177.5 | -72 | 171.5 | 0 | 0 | 0 | 111.7 | L36 A39 W40 T43 E134 Q135 E141 I142 | L36-L138 HydrophobicContact CD2-CD2 3.61Å; A39-L138 HydrophobicContact CB-CD1 4Å; A39-L138 HydrophobicContact CB-CD2 4.27Å; W40-L138 HydrophobicContact CB-CB 4.32Å; W40-L138 HydrophobicContact CB-CD1 4.43Å; T43-L138 HydrophobicContact CG2-CD1 4.19Å; E134-L138 HydrophobicContact CG-CD1 4.33Å; E134-L138 WeakPolarHBondContact O-CG 3.41Å; E134-L138 PolarHBondContact O-N 3.31Å; Q135-L138 PolarHBondContact O-N 3.19Å; L138-E141 PolarHBondContact O-N 2.7Å; L138-I142 VanDerWaalsContact O-CG1 3.31Å; L138-I142 WeakPolarHBondContact O-CG1 3.41Å; L138-I142 PolarHBondContact O-N 3.48Å |
| 139 | K | 93.4 | Very high | 90.6 | Very high | 109 Ų | 109 | 74.1 Ų | 74.1 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 176.7 | -176.5 | 177.9 | 176.6 | -177.9 | 0 | 111.8 | Q135 V137 E141 I142 D143 | Q135-K139 WeakPolarHBondContact O-CB 3.31Å; Q135-K139 PolarHBondContact O-N 3.36Å; V137-K139 VanDerWaalsContact C-N 3.28Å; V137-K139 PolarHBondContact O-N 3.24Å; K139-E141 PolarHBondContact O-N 2.97Å; K139-I142 PolarHBondContact O-N 2.93Å; K139-D143 VanDerWaalsContact O-CG 3.27Å; K139-D143 PolarHBondContact O-N 3.15Å |
| 140 | R | 93.8 | Very high | 90.2 | Very high | 157 Ų | 157 | 74.8 Ų | 74.8 | 59% | 0.592 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.1 | -38.3 | 177.5 | -71.9 | -177.9 | -135.2 | -179.9 | 2.6 | 112 | L136 V137 D143 V144 | L136-R140 WeakPolarHBondContact O-CG 3.4Å; L136-R140 PolarHBondContact O-N 3.44Å; L136-R140 VanDerWaalsContact O-N 3.1Å; V137-R140 PolarHBondContact O-N 3.43Å; R140-D143 PolarHBondContact O-N 3Å; R140-V144 VanDerWaalsContact O-CG2 3.31Å; R140-V144 WeakPolarHBondContact O-CG2 3.33Å; R140-V144 PolarHBondContact O-N 3.19Å |
| 141 | E | 90.5 | Very high | 89.6 | Confident | 64 Ų | 64 | 71.8 Ų | 71.8 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 178.6 | -167.8 | 171.9 | -169.4 | 0 | 0 | 112.2 | Y32 L36 V137 L138 K139 V144 L145 | Y32-E141 WeakPolarHBondContact CE1-OE1 3.5Å; Y32-E141 PolarHBondContact OH-OE1 2.73Å; L36-E141 HydrophobicContact CD1-CB 4.32Å; L36-E141 HydrophobicContact CD1-CG 3.68Å; L36-E141 WeakPolarHBondContact CD2-OE2 3.48Å; V137-E141 PolarHBondContact O-N 3.37Å; L138-E141 PolarHBondContact O-N 2.7Å; K139-E141 PolarHBondContact O-N 2.97Å; E141-V144 PolarHBondContact O-N 3.04Å; E141-L145 WeakPolarHBondContact O-CG 3.44Å; E141-L145 PolarHBondContact O-N 2.83Å; E141-L145 VanDerWaalsContact O-N 3.07Å |
| 142 | I | 88.9 | Confident | 89.1 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 172.1 | -66.8 | 164.6 | 0 | 0 | 0 | 110.4 | L36 I37 W40 L138 K139 V144 L145 D146 | L36-I142 HydrophobicContact CB-CD1 4.35Å; L36-I142 HydrophobicContact CB-CG1 3.96Å; I37-I142 HydrophobicContact CG1-CD1 4.12Å; W40-I142 HydrophobicContact CB-CD1 4.06Å; W40-I142 HydrophobicContact CG-CD1 4.35Å; L138-I142 VanDerWaalsContact O-CG1 3.31Å; L138-I142 WeakPolarHBondContact O-CG1 3.41Å; L138-I142 PolarHBondContact O-N 3.48Å; K139-I142 PolarHBondContact O-N 2.93Å; I142-V144 VanDerWaalsContact C-N 3.29Å; I142-V144 PolarHBondContact O-N 2.93Å; I142-L145 PolarHBondContact O-N 2.93Å; I142-L145 VanDerWaalsContact O-N 3.11Å; I142-D146 PolarHBondContact O-N 3.43Å |
| 143 | D | 92 | Very high | 88.2 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 179.3 | -65.9 | -27.2 | 0 | 0 | 0 | 111.7 | K139 R140 D146 E147 | K139-D143 VanDerWaalsContact O-CG 3.27Å; K139-D143 PolarHBondContact O-N 3.15Å; R140-D143 PolarHBondContact O-N 3Å; D143-D146 PolarHBondContact O-N 3.42Å; D143-E147 WeakPolarHBondContact O-CB 3.38Å; D143-E147 PolarHBondContact O-N 3.23Å |
| 144 | V | 90.9 | Very high | 86.8 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | 175 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | R140 E141 I142 E147 Q148 | R140-V144 VanDerWaalsContact O-CG2 3.31Å; R140-V144 WeakPolarHBondContact O-CG2 3.33Å; R140-V144 PolarHBondContact O-N 3.19Å; E141-V144 PolarHBondContact O-N 3.04Å; I142-V144 VanDerWaalsContact C-N 3.29Å; I142-V144 PolarHBondContact O-N 2.93Å; V144-E147 PolarHBondContact O-N 3.47Å; V144-Q148 WeakPolarHBondContact O-CB 3.48Å; V144-Q148 PolarHBondContact O-N 3.15Å |
| 145 | L | 88.2 | Confident | 85.2 | Confident | 23 Ų | 23 | 78.7 Ų | 78.7 | 12% | 0.12 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 176.3 | -71.5 | 174.1 | 0 | 0 | 0 | 111.6 | Y32 R33 L36 E141 I142 E147 Q148 E149 | Y32-L145 HydrophobicContact CD1-CD1 3.85Å; Y32-L145 HydrophobicContact CE1-CD1 4.09Å; R33-L145 HydrophobicContact CB-CD1 4.33Å; L36-L145 HydrophobicContact CD1-CD1 3.55Å; E141-L145 WeakPolarHBondContact O-CG 3.44Å; E141-L145 PolarHBondContact O-N 2.83Å; E141-L145 VanDerWaalsContact O-N 3.07Å; I142-L145 PolarHBondContact O-N 2.93Å; I142-L145 VanDerWaalsContact O-N 3.11Å; L145-E147 VanDerWaalsContact C-N 3.29Å; L145-E147 PolarHBondContact O-N 2.85Å; L145-Q148 PolarHBondContact O-N 2.94Å; L145-E149 WeakPolarHBondContact O-CB 3.5Å; L145-E149 WeakPolarHBondContact O-CG 3.5Å; L145-E149 PolarHBondContact O-N 3.32Å |
| 146 | D | 88.4 | Confident | 83.6 | Confident | 33 Ų | 33 | 81.3 Ų | 81.3 | 18% | 0.176 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 176.9 | -75.3 | -7.9 | 0 | 0 | 0 | 111 | R33 I142 D143 E149 R150 | R33-D146 IonicContact CZ-OD1 2.93Å; R33-D146 VanDerWaalsContact CZ-OD1 3.32Å; R33-D146 IonicContact NE-OD1 2.95Å; R33-D146 PolarHBondContact NE-OD1 3.49Å; R33-D146 IonicContact NH2-OD1 3.89Å; R33-D146 PolarHBondContact NH2-OD1 2.84Å; R33-D146 IonicContact NH2-OD2 3.41Å; I142-D146 PolarHBondContact O-N 3.43Å; D143-D146 PolarHBondContact O-N 3.42Å; D146-E149 PolarHBondContact O-N 2.97Å; D146-R150 WeakPolarHBondContact O-CB 3.43Å; D146-R150 WeakPolarHBondContact O-CG 3.3Å; D146-R150 PolarHBondContact O-N 3.41Å |
| 147 | E | 89 | Confident | 81.8 | Confident | 112 Ų | 112 | 85.3 Ų | 85.3 | 52% | 0.523 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 174.1 | -165.9 | 59.2 | -158.4 | 0 | 0 | 112.7 | D143 V144 L145 E149 R150 S151 | D143-E147 WeakPolarHBondContact O-CB 3.38Å; D143-E147 PolarHBondContact O-N 3.23Å; V144-E147 PolarHBondContact O-N 3.47Å; L145-E147 VanDerWaalsContact C-N 3.29Å; L145-E147 PolarHBondContact O-N 2.85Å; E147-E149 VanDerWaalsContact C-N 3.34Å; E147-R150 PolarHBondContact O-N 2.95Å; E147-R150 IonicContact OE2-CZ 3.69Å; E147-R150 IonicContact OE2-NE 3.5Å; E147-R150 PolarHBondContact OE2-NE 2.94Å; E147-R150 IonicContact OE2-NH2 3.74Å; E147-R150 PolarHBondContact OE2-NH2 3.26Å; E147-R150 VanDerWaalsContact OE2-NH2 3.08Å; E147-S151 PolarHBondContact O-N 2.65Å |
| 148 | Q | 86.3 | Confident | 79.7 | Confident | 84 Ų | 84 | 89.3 Ų | 89.3 | 39% | 0.393 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 174.3 | -175.3 | 173.8 | 37.7 | 0 | 0 | 111.7 | V144 L145 S151 I152 | V144-Q148 WeakPolarHBondContact O-CB 3.48Å; V144-Q148 PolarHBondContact O-N 3.15Å; L145-Q148 PolarHBondContact O-N 2.94Å; Q148-S151 PolarHBondContact O-N 3.11Å; Q148-I152 HydrophobicContact CG-CD1 4.08Å; Q148-I152 WeakPolarHBondContact O-CD1 3.31Å; Q148-I152 VanDerWaalsContact O-CG1 3.25Å; Q148-I152 WeakPolarHBondContact O-CG1 3.45Å; Q148-I152 PolarHBondContact O-N 3.07Å; Q148-I152 VanDerWaalsContact O-N 3.16Å |
| 149 | E | 81.8 | Confident | 77.7 | Confident | 56 Ų | 56 | 95.7 Ų | 95.7 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 173.8 | -75.5 | -178.6 | -177.4 | 0 | 0 | 110.7 | R33 L145 D146 E147 S151 I152 Y153 | R33-E149 WeakPolarHBondContact CD-OE1 3.44Å; R33-E149 IonicContact NE-OE2 2.83Å; L145-E149 WeakPolarHBondContact O-CB 3.5Å; L145-E149 WeakPolarHBondContact O-CG 3.5Å; L145-E149 PolarHBondContact O-N 3.32Å; D146-E149 PolarHBondContact O-N 2.97Å; E147-E149 VanDerWaalsContact C-N 3.34Å; E149-S151 VanDerWaalsContact C-N 3.32Å; E149-S151 PolarHBondContact O-N 2.92Å; E149-I152 PolarHBondContact O-N 3.33Å; E149-I152 VanDerWaalsContact O-N 3.14Å; E149-Y153 WeakPolarHBondContact O-CD2 3.39Å; E149-Y153 PolarHBondContact O-N 3.47Å |
| 150 | R | 83.6 | Confident | 75.4 | Confident | 142 Ų | 142 | 94.1 Ų | 94.1 | 54% | 0.536 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.5 | -40.8 | 173.6 | -79.2 | -171.7 | -78.2 | -93.8 | -0.7 | 112.8 | D146 E147 I152 G154 | D146-R150 WeakPolarHBondContact O-CB 3.43Å; D146-R150 WeakPolarHBondContact O-CG 3.3Å; D146-R150 PolarHBondContact O-N 3.41Å; E147-R150 PolarHBondContact O-N 2.95Å; E147-R150 IonicContact OE2-CZ 3.69Å; E147-R150 IonicContact OE2-NE 3.5Å; E147-R150 PolarHBondContact OE2-NE 2.94Å; E147-R150 IonicContact OE2-NH2 3.74Å; E147-R150 PolarHBondContact OE2-NH2 3.26Å; E147-R150 VanDerWaalsContact OE2-NH2 3.08Å; R150-I152 VanDerWaalsContact C-N 3.3Å; R150-I152 PolarHBondContact O-N 3Å; R150-G154 VanDerWaalsContact O-CA 3.29Å; R150-G154 WeakPolarHBondContact O-CA 3.37Å; R150-G154 PolarHBondContact O-N 3.45Å |
| 151 | S | 81.9 | Confident | 73.1 | Confident | 83 Ų | 83 | 96.4 Ų | 96.4 | 58% | 0.58 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.7 | -27.7 | 177.1 | 177.5 | 0 | 0 | 0 | 0 | 113.5 | E147 Q148 E149 | E147-S151 PolarHBondContact O-N 2.65Å; Q148-S151 PolarHBondContact O-N 3.11Å; E149-S151 VanDerWaalsContact C-N 3.32Å; E149-S151 PolarHBondContact O-N 2.92Å |
| 152 | I | 80.3 | Confident | 70.9 | Confident | 68 Ų | 68 | 104.2 Ų | 104.2 | 35% | 0.349 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -81.4 | -41.6 | 179.8 | -68.4 | 162.2 | 0 | 0 | 0 | 111 | Q148 E149 R150 | Q148-I152 HydrophobicContact CG-CD1 4.08Å; Q148-I152 WeakPolarHBondContact O-CD1 3.31Å; Q148-I152 VanDerWaalsContact O-CG1 3.25Å; Q148-I152 WeakPolarHBondContact O-CG1 3.45Å; Q148-I152 PolarHBondContact O-N 3.07Å; Q148-I152 VanDerWaalsContact O-N 3.16Å; E149-I152 PolarHBondContact O-N 3.33Å; E149-I152 VanDerWaalsContact O-N 3.14Å; R150-I152 VanDerWaalsContact C-N 3.3Å; R150-I152 PolarHBondContact O-N 3Å |
| 153 | Y | 70.9 | Confident | 68.8 | Low | 117 Ų | 117 | 109 Ų | 109 | 46% | 0.459 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -91.4 | -19 | -177.3 | -64.7 | -68.2 | 0 | 0 | 0 | 113.7 | Q26 E149 D155 D156 | Q26-Y153 PolarHBondContact NE2-OH 2.93Å; Q26-Y153 PolarHBondContact OE1-OH 3.42Å; Q26-Y153 VanDerWaalsContact OE1-OH 3.09Å; E149-Y153 WeakPolarHBondContact O-CD2 3.39Å; E149-Y153 PolarHBondContact O-N 3.47Å; Y153-D155 VanDerWaalsContact C-N 3.3Å; Y153-D155 PolarHBondContact O-N 2.88Å; Y153-D156 PolarHBondContact O-N 3.24Å |
| 154 | G | 65 | Low | 66.7 | Low | 46 Ų | 46 | 116.1 Ų | 116.1 | 47% | 0.474 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | -26.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R150 | R150-G154 VanDerWaalsContact O-CA 3.29Å; R150-G154 WeakPolarHBondContact O-CA 3.37Å; R150-G154 PolarHBondContact O-N 3.45Å |
| 155 | D | 58.2 | Low | 64.4 | Low | 140 Ų | 140 | 116.9 Ų | 116.9 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -18 | 174.8 | -84.3 | -18 | 0 | 0 | 0 | 113.1 | Y153 | Y153-D155 VanDerWaalsContact C-N 3.3Å; Y153-D155 PolarHBondContact O-N 2.88Å |
| 156 | D | 55.9 | Low | 62.8 | Low | 99 Ų | 99 | 121.5 Ų | 121.5 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -86.5 | -11 | -179 | -92.6 | -21.4 | 0 | 0 | 0 | 113.6 | Y153 L158 Q159 A160 | Y153-D156 PolarHBondContact O-N 3.24Å; D156-L158 PolarHBondContact O-N 3.01Å; D156-L158 VanDerWaalsContact O-N 3.14Å; D156-Q159 PolarHBondContact O-N 2.99Å; D156-A160 PolarHBondContact O-N 2.98Å |
| 157 | E | 53.3 | Low | 61.3 | Low | 167 Ų | 167 | 122.7 Ų | 122.7 | 78% | 0.78 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -67.1 | -12.4 | 176.8 | -120.9 | -178.3 | 176.9 | 0 | 0 | 113.1 | ||
| 158 | L | 50.7 | Low | 59.8 | Low | 169 Ų | 169 | 126.1 Ų | 126.1 | 89% | 0.885 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -94.2 | -5.1 | 171.2 | -69.7 | 174.3 | 0 | 0 | 0 | 114.5 | D156 | D156-L158 PolarHBondContact O-N 3.01Å; D156-L158 VanDerWaalsContact O-N 3.14Å |
| 159 | Q | 48.8 | Very low | 59 | Low | 146 Ų | 146 | 127.3 Ų | 127.3 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -8.7 | 175.4 | -82.3 | -146.1 | 13.8 | 0 | 0 | 115.3 | D156 Q161 R162 | D156-Q159 PolarHBondContact O-N 2.99Å; Q159-Q161 PolarHBondContact O-N 3.36Å; Q159-R162 PolarHBondContact O-N 3.48Å |
| 160 | A | 46 | Very low | 58.2 | Low | 76 Ų | 76 | 128.3 Ų | 128.3 | 63% | 0.628 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -1.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | D156 | D156-A160 PolarHBondContact O-N 2.98Š|
| 161 | Q | 43.6 | Very low | 57.3 | Low | 204 Ų | 204 | 125 Ų | 125 | 95% | 0.953 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -0.6 | 173.5 | -84.9 | -168.6 | -19.5 | 0 | 0 | 115.4 | Q159 | Q159-Q161 PolarHBondContact O-N 3.36Š|
| 162 | R | 44.7 | Very low | 56.6 | Low | 228 Ų | 228 | 123.9 Ų | 123.9 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -112 | -8.3 | -173.6 | -135.3 | 175.5 | -166.6 | 163.2 | 4.1 | 116.8 | Q159 R164 | Q159-R162 PolarHBondContact O-N 3.48Å; R162-R164 PolarHBondContact O-N 3.06Å |
| 163 | T | 45.9 | Very low | 56 | Low | 120 Ų | 120 | 126.3 Ų | 126.3 | 74% | 0.736 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -99.4 | 89.4 | 173.1 | 37 | 0 | 0 | 0 | 0 | 110 | S165 | T163-S165 PolarHBondContact O-N 3.07Š|
| 164 | R | 46.8 | Very low | 56.1 | Low | 228 Ų | 228 | 126.9 Ų | 126.9 | 86% | 0.86 | 65% | 0.65 | S | S | * | * | trans | -2 | 109.7 | 148.7 | -137.5 | 176.7 | -165.7 | 173 | 2.2 | 112 | R162 L166 | R162-R164 PolarHBondContact O-N 3.06Å; R164-L166 PolarHBondContact O-N 2.86Å | ||
| 165 | S | 44.2 | Very low | 56.4 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 66% | 0.659 | S | S | * | * | trans | -33.4 | 95.8 | 170.5 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | T163 S167 | T163-S165 PolarHBondContact O-N 3.07Å; S165-S167 PolarHBondContact O-N 3.09Å | ||
| 166 | L | 54 | Low | 56.9 | Low | 119 Ų | 119 | 130.2 Ų | 130.2 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | trans | -73.1 | 111 | 168.4 | -76.8 | 162.9 | 0 | 0 | 0 | 105.6 | R164 D170 T171 | R164-L166 PolarHBondContact O-N 2.86Å; L166-D170 HydrophobicContact CB-CB 4.29Å; L166-D170 HydrophobicContact CD2-CB 3.63Å; L166-T171 HydrophobicContact CB-CG2 4.38Å | ||
| 167 | S | 56.4 | Low | 57.6 | Low | 58 Ų | 58 | 130 Ų | 130 | 41% | 0.406 | 65% | 0.649 | S | S | . | * | trans | -52.6 | 151.2 | 170.7 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | S165 D169 D170 T171 | S165-S167 PolarHBondContact O-N 3.09Å; S167-D169 PolarHBondContact O-N 3.05Å; S167-D169 PolarHBondContact OG-N 3.14Å; S167-D170 WeakPolarHBondContact O-CB 3.5Å; S167-D170 PolarHBondContact O-N 3.16Å; S167-T171 PolarHBondContact O-N 2.49Å; S167-T171 PolarHBondContact O-OG1 2.85Å | ||
| 168 | Y | 57.9 | Low | 58.2 | Low | 185 Ų | 185 | 126.7 Ų | 126.7 | 73% | 0.725 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -50.6 | -31.7 | 171 | -176.4 | -97.5 | 0 | 0 | 0 | 111.5 | T171 V172 | Y168-T171 PolarHBondContact O-OG1 3.21Å; Y168-V172 HydrophobicContact CD1-CG2 4.4Å; Y168-V172 HydrophobicContact CE1-CG2 4.09Å; Y168-V172 WeakPolarHBondContact O-CG2 3.46Å; Y168-V172 PolarHBondContact O-N 3.4Å |
| 169 | D | 68.4 | Low | 58.7 | Low | 108 Ų | 108 | 123.1 Ų | 123.1 | 58% | 0.578 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.6 | -35.7 | 174.9 | -69.6 | -35.7 | 0 | 0 | 0 | 113.5 | S167 Q173 | S167-D169 PolarHBondContact O-N 3.05Å; S167-D169 PolarHBondContact OG-N 3.14Å; D169-Q173 WeakPolarHBondContact O-CB 3.49Å; D169-Q173 WeakPolarHBondContact O-CG 3.36Å; D169-Q173 PolarHBondContact O-N 3.39Å |
| 170 | D | 65.4 | Low | 58.6 | Low | 78 Ų | 78 | 118.9 Ų | 118.9 | 42% | 0.417 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.1 | -36.5 | -179.8 | -74 | -29.5 | 0 | 0 | 0 | 111.9 | L166 S167 H174 | L166-D170 HydrophobicContact CB-CB 4.29Å; L166-D170 HydrophobicContact CD2-CB 3.63Å; S167-D170 WeakPolarHBondContact O-CB 3.5Å; S167-D170 PolarHBondContact O-N 3.16Å; D170-H174 VanDerWaalsContact O-CB 3.28Å; D170-H174 WeakPolarHBondContact O-CB 3.37Å; D170-H174 PolarHBondContact O-N 2.85Å |
| 171 | T | 64.2 | Low | 58.8 | Low | 71 Ų | 71 | 118.1 Ų | 118.1 | 44% | 0.436 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.8 | -40.4 | 176.3 | 34.6 | 0 | 0 | 0 | 0 | 111.4 | L166 S167 Y168 W175 | L166-T171 HydrophobicContact CB-CG2 4.38Å; S167-T171 PolarHBondContact O-N 2.49Å; S167-T171 PolarHBondContact O-OG1 2.85Å; Y168-T171 PolarHBondContact O-OG1 3.21Å; T171-W175 WeakPolarHBondContact O-CB 3.21Å; T171-W175 PolarHBondContact O-N 3.41Å |
| 172 | V | 68.1 | Low | 59.1 | Low | 60 Ų | 60 | 119.8 Ų | 119.8 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.6 | -42.2 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | Y168 W175 L176 | Y168-V172 HydrophobicContact CD1-CG2 4.4Å; Y168-V172 HydrophobicContact CE1-CG2 4.09Å; Y168-V172 WeakPolarHBondContact O-CG2 3.46Å; Y168-V172 PolarHBondContact O-N 3.4Å; V172-W175 PolarHBondContact O-N 2.79Å; V172-L176 HydrophobicContact CG1-CD1 3.91Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 WeakPolarHBondContact O-CB 3.42Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.25Å; V172-L176 PolarHBondContact O-N 3.42Å |
| 173 | Q | 68.5 | Low | 59.6 | Low | 119 Ų | 119 | 117.2 Ų | 117.2 | 56% | 0.556 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.9 | -38 | 176.4 | -78.6 | -159 | 17.8 | 0 | 0 | 113.2 | D169 S177 | D169-Q173 WeakPolarHBondContact O-CB 3.49Å; D169-Q173 WeakPolarHBondContact O-CG 3.36Å; D169-Q173 PolarHBondContact O-N 3.39Å; Q173-S177 WeakPolarHBondContact O-CB 3.29Å; Q173-S177 PolarHBondContact O-N 2.88Å; Q173-S177 PolarHBondContact O-OG 3.04Å |
| 174 | H | 73.1 | Confident | 59.8 | Low | 130 Ų | 130 | 120 Ų | 120 | 60% | 0.602 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.2 | -44.4 | 174.6 | -176.1 | 29.6 | 0 | 0 | 0 | 110.7 | D170 L176 S177 V178 | D170-H174 VanDerWaalsContact O-CB 3.28Å; D170-H174 WeakPolarHBondContact O-CB 3.37Å; D170-H174 PolarHBondContact O-N 2.85Å; H174-L176 PolarHBondContact O-N 3.06Å; H174-S177 PolarHBondContact O-N 3.24Å; H174-V178 WeakPolarHBondContact CE1-CG2 3.42Å; H174-V178 WeakPolarHBondContact ND1-CG2 3.5Å; H174-V178 WeakPolarHBondContact O-CB 3.18Å; H174-V178 VanDerWaalsContact O-CG2 3.28Å; H174-V178 WeakPolarHBondContact O-CG2 3.34Å; H174-V178 PolarHBondContact O-N 3.23Å |
| 175 | W | 70.9 | Confident | 60 | Low | 177 Ų | 177 | 116 Ų | 116 | 67% | 0.67 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.1 | -42 | 178.4 | -161.8 | 86.6 | 0 | 0 | 0 | 112.5 | T171 V172 N179 | T171-W175 WeakPolarHBondContact O-CB 3.21Å; T171-W175 PolarHBondContact O-N 3.41Å; V172-W175 PolarHBondContact O-N 2.79Å; W175-N179 WeakPolarHBondContact CH2-ND2 3.49Å; W175-N179 WeakPolarHBondContact CZ2-ND2 3.44Å; W175-N179 WeakPolarHBondContact CZ3-ND2 3.3Å; W175-N179 WeakPolarHBondContact O-CB 3.35Å; W175-N179 PolarHBondContact O-N 3.34Å; W175-N179 VanDerWaalsContact O-N 3.08Å; W175-N179 PolarHBondContact O-ND2 3.4Å |
| 176 | L | 68 | Low | 60 | Low | 78 Ų | 78 | 118.5 Ų | 118.5 | 41% | 0.408 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.6 | -35.6 | 175.4 | -70.3 | 171.1 | 0 | 0 | 0 | 112.8 | V172 H174 A181 | V172-L176 HydrophobicContact CG1-CD1 3.91Å; V172-L176 HydrophobicContact CG1-CG 4.39Å; V172-L176 WeakPolarHBondContact O-CB 3.42Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.25Å; V172-L176 PolarHBondContact O-N 3.42Å; H174-L176 PolarHBondContact O-N 3.06Å; L176-A181 HydrophobicContact CD2-CB 4.45Å; L176-A181 PolarHBondContact O-N 3.25Å |
| 177 | S | 70.8 | Confident | 59.5 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 66% | 0.657 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -71.5 | -38.6 | 176.6 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | Q173 H174 G180 | Q173-S177 WeakPolarHBondContact O-CB 3.29Å; Q173-S177 PolarHBondContact O-N 2.88Å; Q173-S177 PolarHBondContact O-OG 3.04Å; H174-S177 PolarHBondContact O-N 3.24Å; S177-G180 PolarHBondContact O-N 3.24Å |
| 178 | V | 66.8 | Low | 58.9 | Low | 99 Ų | 99 | 121.8 Ų | 121.8 | 60% | 0.6 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71 | -34.8 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | H174 G180 | H174-V178 WeakPolarHBondContact CE1-CG2 3.42Å; H174-V178 WeakPolarHBondContact ND1-CG2 3.5Å; H174-V178 WeakPolarHBondContact O-CB 3.18Å; H174-V178 VanDerWaalsContact O-CG2 3.28Å; H174-V178 WeakPolarHBondContact O-CG2 3.34Å; H174-V178 PolarHBondContact O-N 3.23Å; V178-G180 PolarHBondContact O-N 2.81Å |
| 179 | N | 60.3 | Low | 58 | Low | 93 Ų | 93 | 122.3 Ų | 122.3 | 50% | 0.497 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | 14.2 | 179 | -68.9 | -31.1 | 0 | 0 | 0 | 114.3 | W175 A181 | W175-N179 WeakPolarHBondContact CH2-ND2 3.49Å; W175-N179 WeakPolarHBondContact CZ2-ND2 3.44Å; W175-N179 WeakPolarHBondContact CZ3-ND2 3.3Å; W175-N179 WeakPolarHBondContact O-CB 3.35Å; W175-N179 PolarHBondContact O-N 3.34Å; W175-N179 VanDerWaalsContact O-N 3.08Å; W175-N179 PolarHBondContact O-ND2 3.4Å; N179-A181 VanDerWaalsContact C-N 3.28Å; N179-A181 PolarHBondContact O-N 3.22Å |
| 180 | G | 47.7 | Very low | 56.9 | Low | 57 Ų | 57 | 123.1 Ų | 123.1 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.1 | 21.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S177 V178 R182 | S177-G180 PolarHBondContact O-N 3.24Å; V178-G180 PolarHBondContact O-N 2.81Å; G180-R182 PolarHBondContact O-N 3.23Å |
| 181 | A | 50.3 | Low | 55.5 | Low | 61 Ų | 61 | 127.5 Ų | 127.5 | 50% | 0.504 | 67% | 0.669 | S | S | . | * | trans | -73 | 81.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L176 N179 K183 | L176-A181 HydrophobicContact CD2-CB 4.45Å; L176-A181 PolarHBondContact O-N 3.25Å; N179-A181 VanDerWaalsContact C-N 3.28Å; N179-A181 PolarHBondContact O-N 3.22Å; A181-K183 PolarHBondContact O-N 3.02Å | ||
| 182 | R | 49.5 | Very low | 54.4 | Low | 239 Ų | 239 | 130.6 Ų | 130.6 | 90% | 0.902 | 68% | 0.682 | S | S | * | * | trans | -58 | 107.8 | 172.3 | -81 | -171.5 | 171.6 | -157.8 | -1.9 | 109.1 | G180 K184 | G180-R182 PolarHBondContact O-N 3.23Å; R182-K184 PolarHBondContact O-N 3.28Å; R182-K184 VanDerWaalsContact O-N 3.14Å | ||
| 183 | K | 55 | Low | 53.2 | Low | 174 Ų | 174 | 133.3 Ų | 133.3 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | trans | -58.7 | 112.8 | 159 | -78.5 | -170.5 | 173.9 | -177.7 | 0 | 107.5 | A181 D185 | A181-K183 PolarHBondContact O-N 3.02Å; K183-D185 PolarHBondContact O-N 3.25Å | ||
| 184 | K | 49.9 | Very low | 52.1 | Low | 178 Ų | 178 | 134.7 Ų | 134.7 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | trans | -81.2 | 95.5 | 171.7 | -167 | -178.7 | -177.1 | -168 | 0 | 106.2 | R182 E186 | R182-K184 PolarHBondContact O-N 3.28Å; R182-K184 VanDerWaalsContact O-N 3.14Å; K184-E186 PolarHBondContact O-N 3.02Å; K184-E186 VanDerWaalsContact O-N 3.11Å | ||
| 185 | D | 50.1 | Low | 50.5 | Low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -66.5 | 105.1 | 169.1 | -78.5 | -29.5 | 0 | 0 | 0 | 108.3 | K183 T187 | K183-D185 PolarHBondContact O-N 3.25Å; D185-T187 PolarHBondContact O-N 3.35Å | ||
| 186 | E | 44 | Very low | 49.1 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | -78.5 | 98.9 | 170.2 | -74.7 | -175.8 | 157.1 | 0 | 0 | 109.2 | K184 | K184-E186 PolarHBondContact O-N 3.02Å; K184-E186 VanDerWaalsContact O-N 3.11Å | ||
| 187 | T | 44.5 | Very low | 47.9 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -141.8 | 100.6 | 153.3 | 19.7 | 0 | 0 | 0 | 0 | 107.6 | D185 | D185-T187 PolarHBondContact O-N 3.35Š| ||
| 188 | S | 44.1 | Very low | 46.2 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | 162.5 | 91.3 | 143 | -73.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 189 | H | 38.1 | Very low | 44.8 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | 31.1 | 100.5 | 126.5 | -116.7 | 56.2 | 0 | 0 | 0 | 117.3 | |||||
| 190 | S | 44.7 | Very low | 43.7 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -154.8 | 144.4 | 135.3 | 64 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 191 | H | 37.2 | Very low | 43.1 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -75.9 | 162.7 | -165.3 | -129 | -93 | 0 | 0 | 0 | 112.9 | ||||
| 192 | D | 39.9 | Very low | 42.7 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | 95.8 | 135.2 | 148.4 | -81.6 | -6.6 | 0 | 0 | 0 | 121.5 | ||||
| 193 | V | 42.9 | Very low | 42.3 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 71% | 0.709 | 80% | 0.796 | S | S | * | * | trans | 100.2 | 88.1 | 154.9 | -163.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 194 | L | 45.9 | Very low | 41.7 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | 74.7 | 95.6 | 140.7 | -54.6 | 171.6 | 0 | 0 | 0 | 117.1 | ||||
| 195 | Q | 39.8 | Very low | 41 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | 56.1 | 132.9 | 80 | -71.9 | -159.1 | -4.5 | 0 | 0 | 116.8 | |||||
| 196 | T | 40.9 | Very low | 40.6 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | 85.8 | 113.8 | 169.7 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 197 | T | 42.5 | Very low | 40.6 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | cis | -152.1 | 141.4 | 39.1 | 38.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 198 | S | 36 | Very low | 40.5 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -106.5 | 160 | 175.4 | 150 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 199 | C | 37.6 | Very low | 40.6 | Very low | 124 Ų | 124 | 145 Ų | 145 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | 118.3 | 121.1 | 167.4 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 200 | A | 36.5 | Very low | 40.8 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | cis | -161.8 | 149.7 | 15.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 201 | P | 35.9 | Very low | 41.3 | Very low | 112 Ų | 112 | 143 Ų | 143 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -106.4 | 141.5 | 160.9 | 35.3 | -24.9 | 0 | 0 | 0 | 110.1 | ||||
| 202 | N | 41.2 | Very low | 41.9 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -167.9 | 123.8 | 155.3 | -96.6 | -40.2 | 0 | 0 | 0 | 112.3 | ||||
| 203 | R | 42 | Very low | 42.3 | Very low | 225 Ų | 225 | 142.2 Ų | 142.2 | 85% | 0.849 | 81% | 0.812 | S | S | * | * | trans | 63.5 | 127.4 | 137.9 | -61.7 | 174.5 | 174 | -135.7 | -3.3 | 116.1 | ||||
| 204 | S | 41.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | 177.8 | 133.8 | 34.5 | 32.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 205 | S | 35.5 | Very low | 42.2 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -87.5 | -175.7 | 151.6 | -58.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 206 | P | 43 | Very low | 42.2 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | cis | -131.1 | 171.1 | -17.5 | 28.2 | -7.2 | 0 | 0 | 0 | 112.4 | ||||
| 207 | A | 42.1 | Very low | 42.6 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -154.2 | 107.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 208 | Q | 43.4 | Very low | 42.8 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 139.4 | 167.3 | -70.2 | 169 | -43.4 | 0 | 0 | 110.7 | ||||
| 209 | R | 46.7 | Very low | 43 | Very low | 249 Ų | 249 | 135.6 Ų | 135.6 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | -137.3 | 114.3 | 150.4 | -91.5 | -172.1 | -179.3 | 165.6 | 0.9 | 108.6 | ||||
| 210 | P | 41.4 | Very low | 43.2 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | trans | -96.7 | 161.3 | 157.8 | 33.5 | -23.7 | 0 | 0 | 0 | 110.3 | ||||
| 211 | L | 56.3 | Low | 43.7 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | 148.9 | 154.4 | 154 | -81.2 | 168.9 | 0 | 0 | 0 | 109.4 | ||||
| 212 | P | 49.7 | Very low | 44.1 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | cis | -135.6 | 170.2 | -22 | 31.8 | -11 | 0 | 0 | 0 | 114.6 | ||||
| 213 | I | 47.6 | Very low | 44.1 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | trans | -73.4 | 139.8 | 177.4 | -71.9 | 153.4 | 0 | 0 | 0 | 112.6 | ||||
| 214 | G | 39.5 | Very low | 44 | Very low | 67 Ų | 67 | 131.4 Ų | 131.4 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | 105 | 166.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 215 | P | 47.2 | Very low | 44.2 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | cis | -129.7 | 175.6 | -3.7 | 37 | -18.5 | 0 | 0 | 0 | 114.8 | ||||
| 216 | A | 40.2 | Very low | 44.9 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -57.1 | 154.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 217 | V | 49 | Very low | 45.1 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -126.4 | 140.5 | 156.4 | 175.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 218 | P | 45.5 | Very low | 44.9 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -88.6 | 156.4 | -161.8 | 2.4 | 18.1 | 0 | 0 | 0 | 114 | ||||
| 219 | T | 40.8 | Very low | 45.1 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | trans | -38.4 | 130.3 | 163 | -51.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 220 | D | 42.8 | Very low | 45.1 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -119.6 | 150.9 | 160.1 | -149.7 | -5.1 | 0 | 0 | 0 | 110.1 | ||||
| 221 | V | 47.3 | Very low | 45.4 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | trans | -100.2 | 158.6 | -149.5 | -124.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 222 | N | 43.6 | Very low | 44.6 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 71.6 | 107.3 | 150 | -72.4 | -20.6 | 0 | 0 | 0 | 120.5 | ||||
| 223 | A | 41.5 | Very low | 44 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -150.5 | 98.5 | 133.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 224 | A | 40.3 | Very low | 43.9 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | 71.4 | 95.3 | 104.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 225 | L | 44 | Very low | 44 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -68.1 | 157.1 | 156.8 | -75.9 | 162.1 | 0 | 0 | 0 | 110 | ||||
| 226 | P | 50.1 | Low | 44.1 | Very low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | -144.4 | 152.9 | 110.9 | 36.1 | -21.4 | 0 | 0 | 0 | 115.8 | |||||
| 227 | A | 47.4 | Very low | 44.7 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 51.8 | 107.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 228 | D | 38.5 | Very low | 44.4 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | 67.8 | 89.8 | 79.1 | -158.9 | 14.4 | 0 | 0 | 0 | 112.5 | |||||
| 229 | V | 48.5 | Very low | 44.3 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -138.9 | 103.7 | 157.3 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 230 | T | 45.5 | Very low | 44.7 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 69% | 0.693 | 80% | 0.796 | S | S | * | * | trans | -69.2 | 136.1 | 165.4 | -58.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 231 | Q | 47.4 | Very low | 44.7 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -166.7 | 150.1 | 139.2 | -89.1 | -116.8 | 0.1 | 0 | 0 | 111.8 | ||||
| 232 | P | 40.1 | Very low | 44.6 | Very low | 98 Ų | 98 | 141.2 Ų | 141.2 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | trans | -112.5 | 156.4 | -152.4 | 37.5 | -24.4 | 0 | 0 | 0 | 115.6 | ||||
| 233 | Y | 37.1 | Very low | 44.6 | Very low | 213 Ų | 213 | 142 Ų | 142 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 38.3 | 113.7 | 144.6 | -96.3 | -96.4 | 0 | 0 | 0 | 120.3 | ||||
| 234 | L | 46.4 | Very low | 44.9 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | -145.5 | 116.4 | 135 | -84.1 | 179.8 | 0 | 0 | 0 | 110.2 | ||||
| 235 | A | 41.1 | Very low | 45 | Very low | 83 Ų | 83 | 146.6 Ų | 146.6 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | -83.3 | 160.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 236 | P | 48.1 | Very low | 45.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -128.6 | 117.7 | 140.4 | 12.5 | 9.2 | 0 | 0 | 0 | 113.8 | ||||
| 237 | R | 53.9 | Low | 44.9 | Very low | 229 Ų | 229 | 145.1 Ų | 145.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 13.3 | 133.6 | 149.8 | -65.4 | -178.6 | 174.2 | -163.9 | -2.1 | 120.7 | ||||
| 238 | P | 42.2 | Very low | 44.5 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 134.3 | 160.9 | 33.7 | -26.8 | 0 | 0 | 0 | 111.2 | ||
| 239 | F | 44.6 | Very low | 44.9 | Very low | 210 Ų | 210 | 151.8 Ų | 151.8 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74 | 131.2 | 169.2 | -97.1 | -89.4 | 0 | 0 | 0 | 110.6 | ||
| 240 | T | 49.1 | Very low | 44.5 | Very low | 130 Ų | 130 | 150.4 Ų | 150.4 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 138 | 179.8 | 45.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 241 | S | 41.6 | Very low | 44.2 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.4 | 165.2 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 242 | D | 46.4 | Very low | 44 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -120.2 | 134.1 | 160.6 | -152.8 | -5.6 | 0 | 0 | 0 | 109.9 | ||||
| 243 | K | 43.4 | Very low | 43.6 | Very low | 172 Ų | 172 | 148 Ų | 148 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -93.6 | 128.6 | -175.4 | -72.7 | -175.9 | 173.4 | -173.4 | 0 | 108.1 | ||||
| 244 | C | 47 | Very low | 43.8 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -140 | 105.2 | 151 | -85 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 245 | D | 42.7 | Very low | 43.6 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -52.9 | 142.3 | 154.3 | -71.7 | -57.9 | 0 | 0 | 0 | 110.3 | ||||
| 246 | G | 45 | Very low | 43.7 | Very low | 62 Ų | 62 | 142.9 Ų | 142.9 | 64% | 0.639 | 81% | 0.814 | S | S | * | * | trans | 169 | 87.8 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 247 | H | 47 | Very low | 43.4 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | trans | 74.8 | 99.9 | 146.6 | -59.6 | -70.9 | 0 | 0 | 0 | 120 | S249 | H247-S249 PolarHBondContact O-N 3.47Š| ||
| 248 | R | 38.1 | Very low | 42.9 | Very low | 240 Ų | 240 | 141.2 Ų | 141.2 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -21.4 | 124 | 137.5 | -74.8 | 176.1 | 165.3 | -135.3 | -2.2 | 113.2 | ||||
| 249 | S | 47.6 | Very low | 42.8 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -150.6 | 130.1 | 142.9 | -82.2 | 0 | 0 | 0 | 0 | 109.8 | H247 | H247-S249 PolarHBondContact O-N 3.47Š| ||
| 250 | S | 39.4 | Very low | 42.7 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -94.6 | 144.3 | -166.2 | -48.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 251 | A | 40.7 | Very low | 42.4 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | 74.2 | 159.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 252 | P | 42 | Very low | 42.7 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | cis | -126.1 | 149.5 | -2.4 | 33.5 | -14.8 | 0 | 0 | 0 | 115.4 | A254 | P252-A254 PolarHBondContact O-N 3.13Š| ||
| 253 | T | 33.1 | Very low | 42.6 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | 12.3 | 87.8 | 142 | -35.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 254 | A | 39.5 | Very low | 42.6 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -89.9 | 114 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P252 | P252-A254 PolarHBondContact O-N 3.13Š| ||
| 255 | Q | 43.2 | Very low | 42.8 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -50.1 | 148.7 | 172.4 | -66.6 | -108.9 | -4.3 | 0 | 0 | 111.3 | I257 | Q255-I257 PolarHBondContact O-N 3.08Š| ||
| 256 | P | 42.9 | Very low | 43.2 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | trans | -66.5 | 102 | 170.6 | 28.9 | -30 | 0 | 0 | 0 | 107.4 | Q258 | P256-Q258 VanDerWaalsContact C-N 3.3Å; P256-Q258 PolarHBondContact O-N 3.36Å | ||
| 257 | I | 41.4 | Very low | 43.6 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | trans | -60.6 | 102.4 | 168.2 | -63.6 | 173.5 | 0 | 0 | 0 | 105.1 | Q255 L259 | Q255-I257 PolarHBondContact O-N 3.08Å; I257-L259 HydrophobicContact CG2-CG 4.39Å; I257-L259 PolarHBondContact O-N 3.46Å | ||
| 258 | Q | 43.8 | Very low | 44 | Very low | 174 Ų | 174 | 123.5 Ų | 123.5 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -57.2 | 94.7 | 161.3 | -71.9 | -167.8 | -17.8 | 0 | 0 | 106.2 | P256 S260 | P256-Q258 VanDerWaalsContact C-N 3.3Å; P256-Q258 PolarHBondContact O-N 3.36Å; Q258-S260 PolarHBondContact O-N 3.43Å | ||
| 259 | L | 39.6 | Very low | 45 | Very low | 128 Ų | 128 | 116.3 Ų | 116.3 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | trans | -67.1 | 73.1 | 162.2 | -87.4 | 155.3 | 0 | 0 | 0 | 106.8 | I257 H261 | I257-L259 HydrophobicContact CG2-CG 4.39Å; I257-L259 PolarHBondContact O-N 3.46Å; L259-H261 PolarHBondContact O-N 3.1Å | ||
| 260 | S | 42.8 | Very low | 45.4 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | -65.3 | 85.4 | 163.7 | 54 | 0 | 0 | 0 | 0 | 106.6 | Q258 P262 | Q258-S260 PolarHBondContact O-N 3.43Å; S260-P262 WeakPolarHBondContact O-CD 3.44Å; S260-P262 VanDerWaalsContact O-N 3.11Å | ||
| 261 | H | 42.5 | Very low | 46.3 | Very low | 122 Ų | 122 | 121 Ų | 121 | 57% | 0.565 | 70% | 0.695 | S | S | * | * | trans | -57 | 112.6 | 173.8 | -71.2 | -63.7 | 0 | 0 | 0 | 108.8 | L259 C263 | L259-H261 PolarHBondContact O-N 3.1Å; H261-C263 PolarHBondContact O-N 3.01Å | ||
| 262 | P | 49.1 | Very low | 47.3 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 4.2 | -178.6 | -13.8 | 30.1 | 0 | 0 | 0 | 113.3 | S260 | S260-P262 WeakPolarHBondContact O-CD 3.44Å; S260-P262 VanDerWaalsContact O-N 3.11Å |
| 263 | C | 43.7 | Very low | 48.3 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 53% | 0.534 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.9 | -10.9 | -158.6 | -44.8 | 0 | 0 | 0 | 0 | 114.5 | H261 | H261-C263 PolarHBondContact O-N 3.01Š|
| 264 | H | 44.1 | Very low | 49.8 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -98.9 | -20.3 | -174.6 | -66.3 | -70.2 | 0 | 0 | 0 | 114.4 | ||
| 265 | S | 50 | Low | 50.9 | Low | 97 Ų | 97 | 127.8 Ų | 127.8 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -82.8 | -20.5 | -178.8 | -53.5 | 0 | 0 | 0 | 0 | 114 | ||
| 266 | L | 52.3 | Low | 52 | Low | 118 Ų | 118 | 127 Ų | 127 | 62% | 0.618 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -87.5 | -16.4 | -175.8 | -72.3 | 169.2 | 0 | 0 | 0 | 114.4 | S269 | L266-S269 PolarHBondContact O-OG 3.01Å |
| 267 | L | 54 | Low | 53.2 | Low | 121 Ų | 121 | 126.9 Ų | 126.9 | 63% | 0.634 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -88 | -35.4 | 177.9 | -65.6 | 177.9 | 0 | 0 | 0 | 111.9 | S269 R270 | L267-S269 VanDerWaalsContact C-N 3.26Å; L267-S269 PolarHBondContact O-N 3.42Å; L267-R270 PolarHBondContact O-N 3.21Å; L267-R270 VanDerWaalsContact O-N 3.16Å |
| 268 | A | 54.1 | Low | 54.4 | Low | 72 Ų | 72 | 129.7 Ų | 129.7 | 60% | 0.595 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -65.2 | -29.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R270 | A268-R270 VanDerWaalsContact C-N 3.3Å; A268-R270 PolarHBondContact O-N 2.94Å |
| 269 | S | 58.7 | Low | 55.7 | Low | 89 Ų | 89 | 127 Ų | 127 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -8.8 | 176.4 | 63.8 | 0 | 0 | 0 | 0 | 114.3 | L266 L267 | L266-S269 PolarHBondContact O-OG 3.01Å; L267-S269 VanDerWaalsContact C-N 3.26Å; L267-S269 PolarHBondContact O-N 3.42Å |
| 270 | R | 57.1 | Low | 57.4 | Low | 211 Ų | 211 | 125 Ų | 125 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -7.7 | -179.5 | -73.3 | -172 | 172.1 | -147.2 | -1.4 | 114 | L267 A268 | L267-R270 PolarHBondContact O-N 3.21Å; L267-R270 VanDerWaalsContact O-N 3.16Å; A268-R270 VanDerWaalsContact C-N 3.3Å; A268-R270 PolarHBondContact O-N 2.94Å |
| 271 | L | 58.5 | Low | 58.6 | Low | 126 Ų | 126 | 122.9 Ų | 122.9 | 66% | 0.66 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -73.3 | 133.5 | 170.9 | -69.4 | 170.9 | 0 | 0 | 0 | 108.6 | K273 | L271-K273 PolarHBondContact O-N 3.14Š|
| 272 | P | 60.6 | Low | 59.8 | Low | 115 Ų | 115 | 123.5 Ų | 123.5 | 75% | 0.747 | 67% | 0.666 | S | S | * | * | trans | -54.1 | 118 | 168.5 | -11.8 | 22.4 | 0 | 0 | 0 | 106.4 | P274 | P272-P274 WeakPolarHBondContact O-CD 3.42Š| ||
| 273 | K | 63.5 | Low | 60.6 | Low | 188 Ų | 188 | 123.3 Ų | 123.3 | 82% | 0.817 | 66% | 0.663 | S | S | * | * | trans | -55.2 | 112.9 | 173.9 | -76 | 176.2 | 179.7 | 173.3 | 0 | 106.2 | L271 E275 | L271-K273 PolarHBondContact O-N 3.14Å; K273-E275 PolarHBondContact O-N 3.01Å | ||
| 274 | P | 64.5 | Low | 61.7 | Low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | trans | -71 | 94 | 171.2 | 29.3 | -28.4 | 0 | 0 | 0 | 105.6 | P272 I276 | P272-P274 WeakPolarHBondContact O-CD 3.42Å; P274-I276 HydrophobicContact CB-CG1 4.41Å; P274-I276 PolarHBondContact O-N 2.68Å | ||
| 275 | E | 62.9 | Low | 62.5 | Low | 175 Ų | 175 | 128 Ų | 128 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | trans | -66.8 | 84.3 | 160.5 | -79.1 | -173.1 | 172 | 0 | 0 | 106.3 | K273 P277 | K273-E275 PolarHBondContact O-N 3.01Å; E275-P277 WeakPolarHBondContact O-CD 3.37Å | ||
| 276 | I | 66.8 | Low | 63.2 | Low | 142 Ų | 142 | 129.5 Ų | 129.5 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | trans | -63.3 | 115.2 | 166.5 | -60.1 | 172.7 | 0 | 0 | 0 | 104.8 | P274 K278 | P274-I276 HydrophobicContact CB-CG1 4.41Å; P274-I276 PolarHBondContact O-N 2.68Å; I276-K278 PolarHBondContact O-N 2.84Å | ||
| 277 | P | 67.3 | Low | 63.5 | Low | 111 Ų | 111 | 127.9 Ų | 127.9 | 72% | 0.721 | 66% | 0.657 | S | S | * | * | trans | -54.2 | 132.5 | 177 | -23.9 | 34.5 | 0 | 0 | 0 | 108.7 | E275 F279 | E275-P277 WeakPolarHBondContact O-CD 3.37Å; P277-F279 PolarHBondContact O-N 2.86Å | ||
| 278 | K | 67.5 | Low | 63.6 | Low | 206 Ų | 206 | 131 Ų | 131 | 90% | 0.896 | 67% | 0.671 | S | S | * | * | trans | -55.6 | 114 | 175.7 | -74.2 | -175.6 | -179.8 | -179.9 | 0 | 108.1 | I276 N280 | I276-K278 PolarHBondContact O-N 2.84Å; K278-N280 PolarHBondContact O-N 2.97Å | ||
| 279 | F | 71.2 | Confident | 63.4 | Low | 116 Ų | 116 | 132.4 Ų | 132.4 | 51% | 0.509 | 66% | 0.664 | S | S | . | * | trans | -64.6 | 120 | 177.5 | 179.8 | -109.7 | 0 | 0 | 0 | 108.9 | P277 G281 W286 | P277-F279 PolarHBondContact O-N 2.86Å; F279-G281 VanDerWaalsContact C-N 3.31Å; F279-G281 PolarHBondContact O-N 2.93Å; F279-W286 AromaticContact CE2-CD1 3.82Å; F279-W286 HydrophobicContact CE2-CG 4.31Å; F279-W286 AromaticContact CZ-CD1 3.56Å; F279-W286 HydrophobicContact CZ-CD2 4.36Å; F279-W286 AromaticContact CZ-CE2 3.83Å; F279-W286 HydrophobicContact CZ-CG 4.23Å; F279-W286 HydrophobicContact CZ-CZ2 4.41Å; F279-W286 AromaticContact CZ-NE1 3.39Å | ||
| 280 | N | 75 | Confident | 62.8 | Low | 86 Ų | 86 | 134.1 Ų | 134.1 | 46% | 0.46 | 66% | 0.664 | S | S | . | * | trans | -90 | 8.4 | -172.5 | 65.2 | 9.6 | 0 | 0 | 0 | 113.3 | K278 K282 D285 | K278-N280 PolarHBondContact O-N 2.97Å; N280-K282 PolarHBondContact O-N 3.24Å; N280-K282 VanDerWaalsContact OD1-CB 3.32Å; N280-K282 WeakPolarHBondContact OD1-CB 3.43Å; N280-K282 PolarHBondContact OD1-N 3.02Å; N280-D285 VanDerWaalsContact CG-OD2 3.32Å; N280-D285 PolarHBondContact ND2-OD2 2.93Å; N280-D285 PolarHBondContact OD1-OD2 3.33Å; N280-D285 VanDerWaalsContact OD1-OD2 3.11Å | ||
| 281 | G | 67.1 | Low | 62.4 | Low | 50 Ų | 50 | 129.8 Ų | 129.8 | 52% | 0.515 | 66% | 0.662 | S | S | . | * | trans | 72.9 | -2.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F279 T283 | F279-G281 VanDerWaalsContact C-N 3.31Å; F279-G281 PolarHBondContact O-N 2.93Å; G281-T283 PolarHBondContact O-N 3.48Å | ||
| 282 | K | 67.9 | Low | 62 | Low | 135 Ų | 135 | 127.4 Ų | 127.4 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | trans | -76.8 | 127.5 | -178.8 | -65 | -176.1 | -179.6 | 177.9 | 0 | 110.1 | N280 R284 D285 | N280-K282 PolarHBondContact O-N 3.24Å; N280-K282 VanDerWaalsContact OD1-CB 3.32Å; N280-K282 WeakPolarHBondContact OD1-CB 3.43Å; N280-K282 PolarHBondContact OD1-N 3.02Å; K282-R284 PolarHBondContact O-N 3.44Å; K282-D285 PolarHBondContact O-N 3.34Å | ||
| 283 | T | 65.9 | Low | 61.7 | Low | 98 Ų | 98 | 127 Ų | 127 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -22.8 | 179.5 | -32.2 | 0 | 0 | 0 | 0 | 113.8 | G281 W286 | G281-T283 PolarHBondContact O-N 3.48Å; T283-W286 VanDerWaalsContact CA-CD1 3.45Å |
| 284 | R | 66.1 | Low | 61.1 | Low | 237 Ų | 237 | 123.9 Ų | 123.9 | 89% | 0.894 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -24.2 | 179.3 | -134.5 | 179 | -179.4 | 178.8 | -0.9 | 113.9 | K282 | K282-R284 PolarHBondContact O-N 3.44Š|
| 285 | D | 62.5 | Low | 60.6 | Low | 87 Ų | 87 | 124.4 Ų | 124.4 | 47% | 0.465 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -100.7 | 4.9 | -177.8 | -60.1 | -36.6 | 0 | 0 | 0 | 112.2 | N280 K282 | N280-D285 VanDerWaalsContact CG-OD2 3.32Å; N280-D285 PolarHBondContact ND2-OD2 2.93Å; N280-D285 PolarHBondContact OD1-OD2 3.33Å; N280-D285 VanDerWaalsContact OD1-OD2 3.11Å; K282-D285 PolarHBondContact O-N 3.34Å |
| 286 | W | 63.1 | Low | 60.2 | Low | 128 Ų | 128 | 119.5 Ų | 119.5 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -61.2 | 129.7 | 166.8 | -78.3 | 59.4 | 0 | 0 | 0 | 107.8 | F279 T283 M288 F289 | F279-W286 AromaticContact CE2-CD1 3.82Å; F279-W286 HydrophobicContact CE2-CG 4.31Å; F279-W286 AromaticContact CZ-CD1 3.56Å; F279-W286 HydrophobicContact CZ-CD2 4.36Å; F279-W286 AromaticContact CZ-CE2 3.83Å; F279-W286 HydrophobicContact CZ-CG 4.23Å; F279-W286 HydrophobicContact CZ-CZ2 4.41Å; F279-W286 AromaticContact CZ-NE1 3.39Å; T283-W286 VanDerWaalsContact CA-CD1 3.45Å; W286-M288 PolarHBondContact O-N 3.22Å; W286-M288 VanDerWaalsContact O-N 3.11Å; W286-F289 HydrophobicContact CE3-CD2 4.41Å; W286-F289 HydrophobicContact CE3-CE2 4.38Å |
| 287 | P | 60.3 | Low | 59.7 | Low | 85 Ų | 85 | 114.9 Ų | 114.9 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | trans | -49.9 | 129 | 165.3 | 4.4 | -4.6 | 0 | 0 | 0 | 106.6 | F289 | P287-F289 HydrophobicContact CB-CE2 4.36Å; P287-F289 HydrophobicContact CG-CE2 3.85Å; P287-F289 HydrophobicContact CG-CZ 4.14Å; P287-F289 WeakPolarHBondContact O-CD2 3.38Å; P287-F289 PolarHBondContact O-N 2.72Å | ||
| 288 | M | 54.4 | Low | 59.1 | Low | 187 Ų | 187 | 114.3 Ų | 114.3 | 92% | 0.921 | 57% | 0.569 | S | S | * | * | trans | -60.7 | 83.7 | 174.7 | -81.3 | -173.1 | -65.6 | 0 | 0 | 107.6 | W286 I290 | W286-M288 PolarHBondContact O-N 3.22Å; W286-M288 VanDerWaalsContact O-N 3.11Å; M288-I290 PolarHBondContact O-N 3.48Å | ||
| 289 | F | 49.5 | Very low | 58.6 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | trans | -58.7 | 115.4 | 158.9 | -66.2 | -78.1 | 0 | 0 | 0 | 104 | W286 P287 T291 F293 | W286-F289 HydrophobicContact CE3-CD2 4.41Å; W286-F289 HydrophobicContact CE3-CE2 4.38Å; P287-F289 HydrophobicContact CB-CE2 4.36Å; P287-F289 HydrophobicContact CG-CE2 3.85Å; P287-F289 HydrophobicContact CG-CZ 4.14Å; P287-F289 WeakPolarHBondContact O-CD2 3.38Å; P287-F289 PolarHBondContact O-N 2.72Å; F289-T291 PolarHBondContact O-N 3.23Å; F289-F293 HydrophobicContact CB-CB 3.95Å; F289-F293 HydrophobicContact CB-CD1 3.52Å; F289-F293 HydrophobicContact CB-CE1 4.34Å; F289-F293 HydrophobicContact CB-CG 4.01Å; F289-F293 HydrophobicContact CD1-CD1 4.3Å; F289-F293 HydrophobicContact CD1-CE1 4.45Å; F289-F293 AromaticContact CG-CD1 3.91Å; F289-F293 HydrophobicContact CG-CD1 3.91Å; F289-F293 HydrophobicContact CG-CE1 4.25Å | ||
| 290 | I | 47.5 | Very low | 58 | Low | 124 Ų | 124 | 107.7 Ų | 107.7 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | trans | -26.3 | 131.9 | 178.5 | -55.7 | 167.1 | 0 | 0 | 0 | 108.7 | M288 S292 F293 | M288-I290 PolarHBondContact O-N 3.48Å; I290-S292 WeakPolarHBondContact CG2-OG 3.43Å; I290-S292 CarbonylContact O-C 3.57Å; I290-S292 PolarHBondContact O-N 3Å; I290-F293 WeakPolarHBondContact O-CA 3.07Å; I290-F293 WeakPolarHBondContact O-CB 3.31Å; I290-F293 PolarHBondContact O-N 3.28Å | ||
| 291 | T | 48.7 | Very low | 57.1 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 74% | 0.736 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -49.4 | -21.5 | -173.5 | 48 | 0 | 0 | 0 | 0 | 114.6 | F289 R294 Q295 | F289-T291 PolarHBondContact O-N 3.23Å; T291-R294 PolarHBondContact O-N 3.16Å; T291-Q295 PolarHBondContact O-N 2.95Å |
| 292 | S | 50.4 | Low | 56.5 | Low | 77 Ų | 77 | 111.7 Ų | 111.7 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.9 | -35.2 | 169.1 | 45.3 | 0 | 0 | 0 | 0 | 115 | I290 Q295 S296 | I290-S292 WeakPolarHBondContact CG2-OG 3.43Å; I290-S292 CarbonylContact O-C 3.57Å; I290-S292 PolarHBondContact O-N 3Å; S292-Q295 PolarHBondContact O-N 2.91Å; S292-S296 WeakPolarHBondContact O-CB 3.45Å; S292-S296 PolarHBondContact O-N 3.26Å |
| 293 | F | 53.4 | Low | 56 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 47% | 0.465 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.3 | -35.2 | 172.8 | -167.7 | -101.8 | 0 | 0 | 0 | 111.5 | F289 I290 S296 V297 | F289-F293 HydrophobicContact CB-CB 3.95Å; F289-F293 HydrophobicContact CB-CD1 3.52Å; F289-F293 HydrophobicContact CB-CE1 4.34Å; F289-F293 HydrophobicContact CB-CG 4.01Å; F289-F293 HydrophobicContact CD1-CD1 4.3Å; F289-F293 HydrophobicContact CD1-CE1 4.45Å; F289-F293 AromaticContact CG-CD1 3.91Å; F289-F293 HydrophobicContact CG-CD1 3.91Å; F289-F293 HydrophobicContact CG-CE1 4.25Å; I290-F293 WeakPolarHBondContact O-CA 3.07Å; I290-F293 WeakPolarHBondContact O-CB 3.31Å; I290-F293 PolarHBondContact O-N 3.28Å; F293-S296 PolarHBondContact O-N 2.92Å; F293-V297 HydrophobicContact CD1-CG2 3.77Å; F293-V297 HydrophobicContact CD2-CG2 4.12Å; F293-V297 HydrophobicContact CE1-CG2 3.48Å; F293-V297 VanDerWaalsContact CE1-CG2 3.48Å; F293-V297 HydrophobicContact CE2-CG2 3.83Å; F293-V297 HydrophobicContact CG-CG2 4.1Å; F293-V297 HydrophobicContact CZ-CG2 3.51Å; F293-V297 VanDerWaalsContact O-CB 3.24Å; F293-V297 WeakPolarHBondContact O-CB 3.47Å; F293-V297 VanDerWaalsContact O-CG2 3.26Å; F293-V297 WeakPolarHBondContact O-CG2 3.36Å; F293-V297 PolarHBondContact O-N 3.08Å |
| 294 | R | 51.3 | Low | 55.5 | Low | 123 Ų | 123 | 107.5 Ų | 107.5 | 46% | 0.464 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 172 | -86.4 | -172.3 | 169 | -128.7 | 1.4 | 111.2 | T291 H298 | T291-R294 PolarHBondContact O-N 3.16Å; R294-H298 WeakPolarHBondContact O-CB 3.5Å; R294-H298 PolarHBondContact O-CD2 3.11Å; R294-H298 PolarHBondContact O-N 3.49Å |
| 295 | Q | 53.2 | Low | 54.9 | Low | 119 Ų | 119 | 99.8 Ų | 99.8 | 56% | 0.556 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.2 | -44.4 | 179.2 | -152.2 | 67.5 | 47.4 | 0 | 0 | 112.1 | T291 S292 V297 H298 D299 | T291-Q295 PolarHBondContact O-N 2.95Å; S292-Q295 PolarHBondContact O-N 2.91Å; Q295-V297 VanDerWaalsContact C-N 3.35Å; Q295-V297 PolarHBondContact O-N 3.32Å; Q295-H298 PolarHBondContact O-N 3.45Å; Q295-D299 WeakPolarHBondContact O-CB 3.23Å; Q295-D299 PolarHBondContact O-N 3.27Å |
| 296 | S | 55.7 | Low | 54.5 | Low | 71 Ų | 71 | 102.2 Ų | 102.2 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.2 | -33.4 | 178.5 | 167 | 0 | 0 | 0 | 0 | 113.8 | S292 F293 V300 | S292-S296 WeakPolarHBondContact O-CB 3.45Å; S292-S296 PolarHBondContact O-N 3.26Å; F293-S296 PolarHBondContact O-N 2.92Å; S296-V300 VanDerWaalsContact O-CG2 3.26Å; S296-V300 WeakPolarHBondContact O-CG2 3.43Å |
| 297 | V | 56.4 | Low | 54 | Low | 46 Ų | 46 | 104.6 Ų | 104.6 | 28% | 0.279 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -85 | -33.7 | 177.5 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | F293 Q295 V300 L301 | F293-V297 HydrophobicContact CD1-CG2 3.77Å; F293-V297 HydrophobicContact CD2-CG2 4.12Å; F293-V297 HydrophobicContact CE1-CG2 3.48Å; F293-V297 VanDerWaalsContact CE1-CG2 3.48Å; F293-V297 HydrophobicContact CE2-CG2 3.83Å; F293-V297 HydrophobicContact CG-CG2 4.1Å; F293-V297 HydrophobicContact CZ-CG2 3.51Å; F293-V297 VanDerWaalsContact O-CB 3.24Å; F293-V297 WeakPolarHBondContact O-CB 3.47Å; F293-V297 VanDerWaalsContact O-CG2 3.26Å; F293-V297 WeakPolarHBondContact O-CG2 3.36Å; F293-V297 PolarHBondContact O-N 3.08Å; Q295-V297 VanDerWaalsContact C-N 3.35Å; Q295-V297 PolarHBondContact O-N 3.32Å; V297-V300 PolarHBondContact O-N 3.14Å; V297-L301 HydrophobicContact CG1-CD1 3.3Å; V297-L301 HydrophobicContact CG1-CG 3.71Å; V297-L301 WeakPolarHBondContact O-CB 3.28Å; V297-L301 WeakPolarHBondContact O-CG 3.36Å; V297-L301 PolarHBondContact O-N 3.15Å |
| 298 | H | 54.3 | Low | 53.8 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 46% | 0.458 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 172.2 | -81.6 | -66.5 | 0 | 0 | 0 | 111.6 | R294 Q295 V300 L301 E302 | R294-H298 WeakPolarHBondContact O-CB 3.5Å; R294-H298 PolarHBondContact O-CD2 3.11Å; R294-H298 PolarHBondContact O-N 3.49Å; Q295-H298 PolarHBondContact O-N 3.45Å; H298-V300 VanDerWaalsContact C-N 3.27Å; H298-V300 PolarHBondContact O-N 3.07Å; H298-L301 PolarHBondContact O-N 2.89Å; H298-E302 WeakPolarHBondContact O-CB 3.37Å; H298-E302 PolarHBondContact O-N 2.99Å |
| 299 | D | 57.7 | Low | 53.6 | Low | 98 Ų | 98 | 102.5 Ų | 102.5 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -29.6 | 178.9 | -65.2 | -15.8 | 0 | 0 | 0 | 112.8 | Q295 S303 | Q295-D299 WeakPolarHBondContact O-CB 3.23Å; Q295-D299 PolarHBondContact O-N 3.27Å; D299-S303 PolarHBondContact O-OG 2.85Å |
| 300 | V | 57.7 | Low | 53.8 | Low | 84 Ų | 84 | 104.5 Ų | 104.5 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -84.7 | -37.3 | 176.6 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | S296 V297 H298 S303 D304 | S296-V300 VanDerWaalsContact O-CG2 3.26Å; S296-V300 WeakPolarHBondContact O-CG2 3.43Å; V297-V300 PolarHBondContact O-N 3.14Å; H298-V300 VanDerWaalsContact C-N 3.27Å; H298-V300 PolarHBondContact O-N 3.07Å; V300-S303 PolarHBondContact O-OG 3.31Å; V300-S303 VanDerWaalsContact O-OG 3.09Å; V300-D304 PolarHBondContact O-N 2.87Å |
| 301 | L | 56.1 | Low | 53.7 | Low | 70 Ų | 70 | 108.3 Ų | 108.3 | 37% | 0.366 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -84.3 | -19.9 | -178.2 | -65.5 | -175.1 | 0 | 0 | 0 | 113.6 | V297 H298 S303 D304 T305 L308 | V297-L301 HydrophobicContact CG1-CD1 3.3Å; V297-L301 HydrophobicContact CG1-CG 3.71Å; V297-L301 WeakPolarHBondContact O-CB 3.28Å; V297-L301 WeakPolarHBondContact O-CG 3.36Å; V297-L301 PolarHBondContact O-N 3.15Å; H298-L301 PolarHBondContact O-N 2.89Å; L301-S303 VanDerWaalsContact C-N 3.31Å; L301-D304 CarbonylContact O-C 3.55Å; L301-D304 PolarHBondContact O-N 3.36Å; L301-T305 WeakPolarHBondContact O-CA 3.29Å; L301-T305 WeakPolarHBondContact O-CB 3.47Å; L301-T305 PolarHBondContact O-N 3.01Å; L301-T305 PolarHBondContact O-OG1 2.85Å; L301-L308 HydrophobicContact CD2-CD1 3.46Å; L301-L308 VanDerWaalsContact CD2-CD1 3.46Å |
| 302 | E | 55.2 | Low | 53.9 | Low | 151 Ų | 151 | 107.8 Ų | 107.8 | 71% | 0.706 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -20.2 | 176.1 | -162.1 | 157.9 | -148.3 | 0 | 0 | 111.9 | H298 T305 | H298-E302 WeakPolarHBondContact O-CB 3.37Å; H298-E302 PolarHBondContact O-N 2.99Å; E302-T305 WeakPolarHBondContact CA-OG1 3.28Å; E302-T305 PolarHBondContact O-OG1 2.8Å |
| 303 | S | 56.7 | Low | 54.1 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 63% | 0.629 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -22.4 | 169 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | D299 V300 L301 | D299-S303 PolarHBondContact O-OG 2.85Å; V300-S303 PolarHBondContact O-OG 3.31Å; V300-S303 VanDerWaalsContact O-OG 3.09Å; L301-S303 VanDerWaalsContact C-N 3.31Å |
| 304 | D | 55.1 | Low | 54.1 | Low | 54 Ų | 54 | 109.6 Ų | 109.6 | 29% | 0.289 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -109.7 | 10.8 | -179.3 | -87.3 | -19.7 | 0 | 0 | 0 | 114 | V300 L301 D306 R307 L308 | V300-D304 PolarHBondContact O-N 2.87Å; L301-D304 CarbonylContact O-C 3.55Å; L301-D304 PolarHBondContact O-N 3.36Å; D304-D306 PolarHBondContact O-N 2.89Å; D304-R307 HydrophobicContact CB-CB 4.5Å; D304-R307 WeakPolarHBondContact O-CA 3.49Å; D304-R307 PolarHBondContact O-N 2.78Å; D304-R307 WeakPolarHBondContact OD1-CD 3.08Å; D304-R307 IonicContact OD1-NH1 3.49Å; D304-L308 PolarHBondContact O-N 3.23Å |
| 305 | T | 52.9 | Low | 54.3 | Low | 75 Ų | 75 | 108.8 Ų | 108.8 | 46% | 0.46 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -28.8 | -178.8 | -14.7 | 0 | 0 | 0 | 0 | 112 | L301 E302 | L301-T305 WeakPolarHBondContact O-CA 3.29Å; L301-T305 WeakPolarHBondContact O-CB 3.47Å; L301-T305 PolarHBondContact O-N 3.01Å; L301-T305 PolarHBondContact O-OG1 2.85Å; E302-T305 WeakPolarHBondContact CA-OG1 3.28Å; E302-T305 PolarHBondContact O-OG1 2.8Å |
| 306 | D | 55.9 | Low | 54.4 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -74.3 | -24.3 | 172.1 | -72.9 | -20.4 | 0 | 0 | 0 | 113.1 | D304 | D304-D306 PolarHBondContact O-N 2.89Å |
| 307 | R | 52.3 | Low | 54.3 | Low | 178 Ų | 178 | 110.6 Ų | 110.6 | 67% | 0.672 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -89.7 | -26.3 | -179.5 | -63.1 | -178.5 | 90.8 | -166.1 | 3.6 | 112.9 | D304 | D304-R307 HydrophobicContact CB-CB 4.5Å; D304-R307 WeakPolarHBondContact O-CA 3.49Å; D304-R307 PolarHBondContact O-N 2.78Å; D304-R307 WeakPolarHBondContact OD1-CD 3.08Å; D304-R307 IonicContact OD1-NH1 3.49Å |
| 308 | L | 55.4 | Low | 54.1 | Low | 88 Ų | 88 | 115.2 Ų | 115.2 | 46% | 0.461 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -81.1 | -16.1 | 176.3 | -85.1 | 158.3 | 0 | 0 | 0 | 114.1 | L301 D304 I310 L311 | L301-L308 HydrophobicContact CD2-CD1 3.46Å; L301-L308 VanDerWaalsContact CD2-CD1 3.46Å; D304-L308 PolarHBondContact O-N 3.23Å; L308-I310 PolarHBondContact O-N 3.46Å; L308-L311 HydrophobicContact CD2-CD1 4.42Å |
| 309 | N | 49.7 | Very low | 54.1 | Low | 139 Ų | 139 | 116.5 Ų | 116.5 | 74% | 0.743 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -1.2 | 170.7 | -84.2 | -28.2 | 0 | 0 | 0 | 113.7 | ||
| 310 | I | 54.1 | Low | 53.8 | Low | 143 Ų | 143 | 118 Ų | 118 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -11.3 | -179.7 | -60.3 | 174.1 | 0 | 0 | 0 | 112 | L308 | L308-I310 PolarHBondContact O-N 3.46Š|
| 311 | L | 44.8 | Very low | 53.5 | Low | 205 Ų | 205 | 121.1 Ų | 121.1 | 100% | 1.073 | 63% | 0.625 | S | S | * | * | trans | -98.1 | 0 | 175.1 | -75.7 | 169.1 | 0 | 0 | 0 | 111.5 | L308 | L308-L311 HydrophobicContact CD2-CD1 4.42Š|
Retrieved 311 of 311 residues in 62.3 ms
(Link to these results)