| 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 | 54.6 | Low | 70.7 | Confident | 213 Ų | 213 | 137.4 Ų | 137.4 | 100% | 1.049 | 65% | 0.649 | S | S | * | * | 0 | -30.9 | 0 | -66.1 | 179.9 | 79.1 | 0 | 0 | 113.5 | Q3 L4 | M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 2.91Å; M1-L4 PolarHBondContact O-N 2.97Å | |||
| 2 | Y | 58.1 | Low | 71.4 | Confident | 192 Ų | 192 | 131.4 Ų | 131.4 | 75% | 0.753 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.6 | -19.3 | -177.8 | -79 | -81.4 | 0 | 0 | 0 | 118.1 | K6 | Y2-K6 WeakPolarHBondContact O-CG 3.44Å |
| 3 | Q | 65 | Low | 71.8 | Confident | 138 Ų | 138 | 130.5 Ų | 130.5 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -83 | -31.2 | -179.7 | -71.7 | -69.9 | 11.3 | 0 | 0 | 113.1 | M1 K6 I7 | M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 2.91Å; Q3-K6 PolarHBondContact O-N 2.01Å; Q3-I7 WeakPolarHBondContact O-CD1 2.97Å; Q3-I7 WeakPolarHBondContact O-CG1 3.44Å; Q3-I7 PolarHBondContact O-N 3.46Å |
| 4 | L | 66.1 | Low | 72 | Confident | 119 Ų | 119 | 125.4 Ų | 125.4 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.8 | -38.7 | 179.3 | -107.4 | 135.2 | 0 | 0 | 0 | 111.6 | M1 K6 I7 W8 | M1-L4 PolarHBondContact O-N 2.97Å; L4-K6 PolarHBondContact O-N 3.03Å; L4-I7 PolarHBondContact O-N 3.44Å; L4-W8 PolarHBondContact O-N 3.38Å |
| 5 | E | 69.1 | Low | 72.3 | Confident | 141 Ų | 141 | 123.4 Ų | 123.4 | 66% | 0.659 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.5 | -37.1 | 176.5 | -66.1 | -152.8 | 153.4 | 0 | 0 | 112.7 | I7 W8 V9 | E5-I7 VanDerWaalsContact C-N 3.33Å; E5-I7 PolarHBondContact O-N 3.44Å; E5-W8 PolarHBondContact O-N 3.34Å; E5-V9 VanDerWaalsContact O-CG2 3.28Å; E5-V9 WeakPolarHBondContact O-CG2 3.45Å; E5-V9 PolarHBondContact O-N 2.73Å |
| 6 | K | 73.2 | Confident | 72.5 | Confident | 130 Ų | 130 | 122.1 Ų | 122.1 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.4 | -38 | 176 | -70.7 | -176.3 | 179.8 | -173.4 | 0 | 112.3 | Y2 Q3 L4 L10 | Y2-K6 WeakPolarHBondContact O-CG 3.44Å; Q3-K6 PolarHBondContact O-N 2.01Å; L4-K6 PolarHBondContact O-N 3.03Å; K6-L10 PolarHBondContact O-N 2.02Å; K6-L10 VanDerWaalsContact O-N 3.11Å |
| 7 | I | 77.9 | Confident | 72.3 | Confident | 100 Ų | 100 | 117.6 Ų | 117.6 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68 | -42.4 | 176.6 | -65.6 | 165.2 | 0 | 0 | 0 | 110.4 | Q3 L4 E5 L10 L11 | Q3-I7 WeakPolarHBondContact O-CD1 2.97Å; Q3-I7 WeakPolarHBondContact O-CG1 3.44Å; Q3-I7 PolarHBondContact O-N 3.46Å; L4-I7 PolarHBondContact O-N 3.44Å; E5-I7 VanDerWaalsContact C-N 3.33Å; E5-I7 PolarHBondContact O-N 3.44Å; I7-L10 PolarHBondContact O-N 3.38Å; I7-L11 WeakPolarHBondContact O-CB 3.19Å; I7-L11 PolarHBondContact O-N 3.25Å |
| 8 | W | 77.8 | Confident | 72.4 | Confident | 169 Ų | 169 | 116.9 Ų | 116.9 | 64% | 0.64 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.3 | -40.9 | 176.5 | -91.2 | 90 | 0 | 0 | 0 | 113 | L4 E5 L11 C12 | L4-W8 PolarHBondContact O-N 3.38Å; E5-W8 PolarHBondContact O-N 3.34Å; W8-L11 PolarHBondContact O-N 3.33Å; W8-C12 WeakPolarHBondContact O-CB 3.43Å; W8-C12 PolarHBondContact O-N 3.49Å; W8-C12 PolarHBondContact O-SG 2.92Å; W8-C12 VanDerWaalsContact O-SG 3.41Å |
| 9 | V | 79.1 | Confident | 72.1 | Confident | 90 Ų | 90 | 117.2 Ų | 117.2 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.6 | -41.7 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | E5 L11 C12 L13 | E5-V9 VanDerWaalsContact O-CG2 3.28Å; E5-V9 WeakPolarHBondContact O-CG2 3.45Å; E5-V9 PolarHBondContact O-N 2.73Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-C12 PolarHBondContact O-N 2.74Å; V9-L13 HydrophobicContact CG1-CD1 4.23Å; V9-L13 WeakPolarHBondContact O-CB 3.38Å; V9-L13 PolarHBondContact O-N 3.43Å |
| 10 | L | 76.8 | Confident | 71.6 | Confident | 123 Ų | 123 | 113.5 Ų | 113.5 | 64% | 0.644 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64 | -38.7 | 175 | -87.3 | 160.6 | 0 | 0 | 0 | 112.4 | K6 I7 L13 A14 | K6-L10 PolarHBondContact O-N 2.02Å; K6-L10 VanDerWaalsContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 3.38Å; L10-L13 PolarHBondContact O-N 2.92Å; L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 3.27Å |
| 11 | L | 79.6 | Confident | 71.3 | Confident | 96 Ų | 96 | 114.5 Ų | 114.5 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.6 | -37.6 | -179.8 | -155 | 143.6 | 0 | 0 | 0 | 111.7 | I7 W8 V9 A14 L15 | I7-L11 WeakPolarHBondContact O-CB 3.19Å; I7-L11 PolarHBondContact O-N 3.25Å; W8-L11 PolarHBondContact O-N 3.33Å; V9-L11 VanDerWaalsContact C-N 3.35Å; L11-A14 PolarHBondContact O-N 3.26Å; L11-L15 HydrophobicContact CD2-CD1 3.74Å; L11-L15 HydrophobicContact CD2-CG 4.45Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.93Å |
| 12 | C | 79.4 | Confident | 71.5 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.2 | -43.3 | 171 | -74.2 | 0 | 0 | 0 | 0 | 112.1 | W8 V9 A14 L15 V16 | W8-C12 WeakPolarHBondContact O-CB 3.43Å; W8-C12 PolarHBondContact O-N 3.49Å; W8-C12 PolarHBondContact O-SG 2.92Å; W8-C12 VanDerWaalsContact O-SG 3.41Å; V9-C12 PolarHBondContact O-N 2.74Å; C12-A14 VanDerWaalsContact C-N 3.35Å; C12-A14 PolarHBondContact O-N 3.02Å; C12-L15 PolarHBondContact O-N 3.49Å; C12-V16 WeakPolarHBondContact O-CG2 3.09Å; C12-V16 PolarHBondContact O-N 2.91Å |
| 13 | L | 76.4 | Confident | 71.7 | Confident | 120 Ų | 120 | 103.5 Ų | 103.5 | 63% | 0.628 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.9 | -40.6 | 175.6 | -99.4 | 153.4 | 0 | 0 | 0 | 112.4 | V9 L10 G17 | V9-L13 HydrophobicContact CG1-CD1 4.23Å; V9-L13 WeakPolarHBondContact O-CB 3.38Å; V9-L13 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 2.92Å; L13-G17 PolarHBondContact O-N 3.22Å |
| 14 | A | 75.3 | Confident | 71.6 | Confident | 58 Ų | 58 | 102.8 Ų | 102.8 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.6 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L10 L11 C12 G17 V18 | L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 3.27Å; L11-A14 PolarHBondContact O-N 3.26Å; C12-A14 VanDerWaalsContact C-N 3.35Å; C12-A14 PolarHBondContact O-N 3.02Å; A14-G17 PolarHBondContact O-N 2.93Å; A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 3.32Å |
| 15 | L | 75.8 | Confident | 71.2 | Confident | 96 Ų | 96 | 101.3 Ų | 101.3 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 177.6 | -80.9 | 167 | 0 | 0 | 0 | 112.5 | L11 C12 G17 V18 L19 | L11-L15 HydrophobicContact CD2-CD1 3.74Å; L11-L15 HydrophobicContact CD2-CG 4.45Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.93Å; C12-L15 PolarHBondContact O-N 3.49Å; L15-G17 VanDerWaalsContact C-N 3.33Å; L15-G17 PolarHBondContact O-N 3.2Å; L15-V18 PolarHBondContact O-N 3.24Å; L15-L19 WeakPolarHBondContact O-CB 2.9Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.08Å; L15-L19 PolarHBondContact O-N 3.47Å |
| 16 | V | 75.7 | Confident | 70.6 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 62% | 0.624 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | C12 L19 G20 | C12-V16 WeakPolarHBondContact O-CG2 3.09Å; C12-V16 PolarHBondContact O-N 2.91Å; V16-L19 PolarHBondContact O-N 3.44Å; V16-G20 PolarHBondContact O-N 3.48Å |
| 17 | G | 69.4 | Low | 69.7 | Low | 46 Ų | 46 | 101.2 Ų | 101.2 | 47% | 0.474 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L13 A14 L15 G20 F21 | L13-G17 PolarHBondContact O-N 3.22Å; A14-G17 PolarHBondContact O-N 2.93Å; L15-G17 VanDerWaalsContact C-N 3.33Å; L15-G17 PolarHBondContact O-N 3.2Å; G17-G20 PolarHBondContact O-N 3.2Å; G17-F21 WeakPolarHBondContact O-CB 3.43Å; G17-F21 PolarHBondContact O-N 3.21Å |
| 18 | V | 73.2 | Confident | 68.5 | Low | 104 Ų | 104 | 101.4 Ų | 101.4 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.6 | -39.9 | 179 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | A14 L15 F21 G22 | A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 3.32Å; L15-V18 PolarHBondContact O-N 3.24Å; V18-F21 PolarHBondContact O-N 3.21Å; V18-G22 PolarHBondContact O-N 3.16Å |
| 19 | L | 66.8 | Low | 67 | Low | 122 Ų | 122 | 100.8 Ų | 100.8 | 64% | 0.639 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.6 | -39.2 | 175.8 | -70.5 | 170.5 | 0 | 0 | 0 | 112.1 | L15 V16 G22 Q23 | L15-L19 WeakPolarHBondContact O-CB 2.9Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.08Å; L15-L19 PolarHBondContact O-N 3.47Å; V16-L19 PolarHBondContact O-N 3.44Å; L19-G22 PolarHBondContact O-N 3.29Å; L19-Q23 WeakPolarHBondContact O-CB 2.93Å; L19-Q23 WeakPolarHBondContact O-CG 3.37Å; L19-Q23 PolarHBondContact O-N 3.27Å |
| 20 | G | 62.4 | Low | 65.4 | Low | 44 Ų | 44 | 102.5 Ų | 102.5 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V16 G17 Q23 F24 | V16-G20 PolarHBondContact O-N 3.48Å; G17-G20 PolarHBondContact O-N 3.2Å; G20-Q23 PolarHBondContact O-N 3.13Å; G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 3.03Å |
| 21 | F | 64.7 | Low | 64 | Low | 135 Ų | 135 | 101.7 Ų | 101.7 | 59% | 0.592 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.3 | -39.1 | 177.7 | -156.1 | -94.7 | 0 | 0 | 0 | 112.1 | G17 V18 F24 H25 | G17-F21 WeakPolarHBondContact O-CB 3.43Å; G17-F21 PolarHBondContact O-N 3.21Å; V18-F21 PolarHBondContact O-N 3.21Å; F21-F24 PolarHBondContact O-N 2.95Å; F21-H25 AromaticContact CD1-CD2 3.71Å; F21-H25 AromaticContact CE1-CD2 3.3Å; F21-H25 WeakPolarHBondContact CE1-CD2 3.43Å; F21-H25 AromaticContact CE1-NE2 3.4Å; F21-H25 WeakPolarHBondContact CE1-NE2 3.44Å; F21-H25 AromaticContact CZ-CD2 3.86Å; F21-H25 AromaticContact CZ-NE2 3.67Å; F21-H25 PolarHBondContact O-N 3.05Å |
| 22 | G | 59 | Low | 62.3 | Low | 40 Ų | 40 | 103.7 Ų | 103.7 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V18 L19 M26 | V18-G22 PolarHBondContact O-N 3.16Å; L19-G22 PolarHBondContact O-N 3.29Å; G22-M26 WeakPolarHBondContact O-CB 3.38Å; G22-M26 PolarHBondContact O-N 3.27Å |
| 23 | Q | 62.3 | Low | 60.4 | Low | 133 Ų | 133 | 110.6 Ų | 110.6 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.1 | -38.8 | 176.6 | -74.8 | -75.3 | -13.2 | 0 | 0 | 112.5 | L19 G20 M26 K27 | L19-Q23 WeakPolarHBondContact O-CB 2.93Å; L19-Q23 WeakPolarHBondContact O-CG 3.37Å; L19-Q23 PolarHBondContact O-N 3.27Å; G20-Q23 PolarHBondContact O-N 3.13Å; Q23-M26 PolarHBondContact O-N 2.78Å; Q23-K27 PolarHBondContact O-N 3.39Å |
| 24 | F | 63.7 | Low | 58.6 | Low | 124 Ų | 124 | 110.3 Ų | 110.3 | 54% | 0.544 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -45.3 | 176.2 | -176.5 | -99.8 | 0 | 0 | 0 | 111.6 | G20 F21 K27 H28 | G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 3.03Å; F21-F24 PolarHBondContact O-N 2.95Å; F24-K27 PolarHBondContact O-N 3.35Å; F24-H28 AromaticContact CE1-CD2 3.67Å; F24-H28 AromaticContact CZ-CD2 3.53Å; F24-H28 AromaticContact CZ-NE2 3.9Å; F24-H28 PolarHBondContact O-N 2.85Å |
| 25 | H | 56.8 | Low | 56.7 | Low | 87 Ų | 87 | 116.6 Ų | 116.6 | 40% | 0.403 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 176.2 | -98.5 | -84.9 | 0 | 0 | 0 | 112.5 | F21 K27 H28 Y29 | F21-H25 AromaticContact CD1-CD2 3.71Å; F21-H25 AromaticContact CE1-CD2 3.3Å; F21-H25 WeakPolarHBondContact CE1-CD2 3.43Å; F21-H25 AromaticContact CE1-NE2 3.4Å; F21-H25 WeakPolarHBondContact CE1-NE2 3.44Å; F21-H25 AromaticContact CZ-CD2 3.86Å; F21-H25 AromaticContact CZ-NE2 3.67Å; F21-H25 PolarHBondContact O-N 3.05Å; H25-K27 PolarHBondContact O-N 3.39Å; H25-H28 PolarHBondContact O-N 3.02Å; H25-Y29 WeakPolarHBondContact O-CD2 3.46Å; H25-Y29 PolarHBondContact O-N 3.24Å |
| 26 | M | 56.5 | Low | 54.9 | Low | 125 Ų | 125 | 116.7 Ų | 116.7 | 62% | 0.616 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.2 | -41.8 | 175.9 | -82.9 | -69.3 | -166.4 | 0 | 0 | 112.1 | G22 Q23 Y29 Q30 | G22-M26 WeakPolarHBondContact O-CB 3.38Å; G22-M26 PolarHBondContact O-N 3.27Å; Q23-M26 PolarHBondContact O-N 2.78Å; M26-Y29 PolarHBondContact O-N 2.03Å; M26-Q30 WeakPolarHBondContact O-CB 3.38Å; M26-Q30 WeakPolarHBondContact O-CG 3.39Å; M26-Q30 PolarHBondContact O-N 3.39Å |
| 27 | K | 54.2 | Low | 52.8 | Low | 144 Ų | 144 | 116.1 Ų | 116.1 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -40.9 | 173.7 | -92 | -175.2 | 175.7 | 178.6 | 0 | 112.3 | Q23 F24 H25 Q30 L31 | Q23-K27 PolarHBondContact O-N 3.39Å; F24-K27 PolarHBondContact O-N 3.35Å; H25-K27 PolarHBondContact O-N 3.39Å; K27-Q30 PolarHBondContact O-N 2.99Å; K27-L31 WeakPolarHBondContact O-CB 3.3Å; K27-L31 PolarHBondContact O-N 2.94Å |
| 28 | H | 54.2 | Low | 51.1 | Low | 105 Ų | 105 | 122.6 Ų | 122.6 | 49% | 0.486 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.4 | -40.9 | 177.9 | -122 | -73.6 | 0 | 0 | 0 | 112.1 | F24 H25 L31 Q32 | F24-H28 AromaticContact CE1-CD2 3.67Å; F24-H28 AromaticContact CZ-CD2 3.53Å; F24-H28 AromaticContact CZ-NE2 3.9Å; F24-H28 PolarHBondContact O-N 2.85Å; H25-H28 PolarHBondContact O-N 3.02Å; H28-L31 PolarHBondContact O-N 3.33Å; H28-Q32 WeakPolarHBondContact O-CB 3.35Å; H28-Q32 PolarHBondContact O-N 3.41Å |
| 29 | Y | 45.5 | Very low | 49.2 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.2 | -36.8 | 174.5 | -92.3 | -81.7 | 0 | 0 | 0 | 112.6 | H25 M26 R33 | H25-Y29 WeakPolarHBondContact O-CD2 3.46Å; H25-Y29 PolarHBondContact O-N 3.24Å; M26-Y29 PolarHBondContact O-N 2.03Å; Y29-R33 PolarHBondContact O-N 3.07Å; Y29-R33 VanDerWaalsContact O-N 3.13Å |
| 30 | Q | 46.3 | Very low | 47.6 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.9 | -38.5 | 174.5 | -74.6 | -175.4 | -6.7 | 0 | 0 | 112.1 | M26 K27 Q32 R33 N34 | M26-Q30 WeakPolarHBondContact O-CB 3.38Å; M26-Q30 WeakPolarHBondContact O-CG 3.39Å; M26-Q30 PolarHBondContact O-N 3.39Å; K27-Q30 PolarHBondContact O-N 2.99Å; Q30-Q32 VanDerWaalsContact C-N 3.33Å; Q30-Q32 PolarHBondContact O-N 3.4Å; Q30-R33 CarbonylContact O-C 3.59Å; Q30-R33 PolarHBondContact O-N 3.4Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; Q30-N34 WeakPolarHBondContact O-CB 3.34Å; Q30-N34 PolarHBondContact O-N 2.91Å |
| 31 | L | 45.6 | Very low | 46.1 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 56% | 0.555 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.5 | -39.5 | 175.7 | -136 | 94.7 | 0 | 0 | 0 | 111.3 | K27 H28 R33 N34 Y35 | K27-L31 WeakPolarHBondContact O-CB 3.3Å; K27-L31 PolarHBondContact O-N 2.94Å; H28-L31 PolarHBondContact O-N 3.33Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 2.85Å; L31-N34 PolarHBondContact O-N 3.25Å; L31-Y35 PolarHBondContact O-N 3.48Å |
| 32 | Q | 44.5 | Very low | 44.6 | Very low | 139 Ų | 139 | 125 Ų | 125 | 65% | 0.65 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -68.9 | -25 | 176 | -155.2 | 177.5 | 2.8 | 0 | 0 | 112.5 | H28 Q30 | H28-Q32 WeakPolarHBondContact O-CB 3.35Å; H28-Q32 PolarHBondContact O-N 3.41Å; Q30-Q32 VanDerWaalsContact C-N 3.33Å; Q30-Q32 PolarHBondContact O-N 3.4Å |
| 33 | R | 40.5 | Very low | 43.7 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 80% | 0.796 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.6 | -34.7 | 168 | -89.5 | -173.5 | 175.6 | 179.7 | 0.1 | 113.3 | Y29 Q30 L31 Y35 | Y29-R33 PolarHBondContact O-N 3.07Å; Y29-R33 VanDerWaalsContact O-N 3.13Å; Q30-R33 CarbonylContact O-C 3.59Å; Q30-R33 PolarHBondContact O-N 3.4Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 2.85Å; R33-Y35 VanDerWaalsContact C-N 3.33Å |
| 34 | N | 38.4 | Very low | 42.7 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -80.7 | -9.4 | -179 | -121.4 | -26.7 | 0 | 0 | 0 | 113.9 | Q30 L31 N36 T37 | Q30-N34 WeakPolarHBondContact O-CB 3.34Å; Q30-N34 PolarHBondContact O-N 2.91Å; L31-N34 PolarHBondContact O-N 3.25Å; N34-N36 PolarHBondContact O-N 3.24Å; N34-N36 VanDerWaalsContact O-N 3.14Å; N34-T37 WeakPolarHBondContact CA-OG1 3.48Å; N34-T37 PolarHBondContact O-N 3.01Å; N34-T37 PolarHBondContact O-OG1 2.91Å; N34-T37 PolarHBondContact OD1-OG1 2.76Å |
| 35 | Y | 35.1 | Very low | 41.5 | Very low | 191 Ų | 191 | 133 Ų | 133 | 75% | 0.749 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 2.2 | 168.4 | -108.6 | -86.7 | 0 | 0 | 0 | 114 | L31 R33 | L31-Y35 PolarHBondContact O-N 3.48Å; R33-Y35 VanDerWaalsContact C-N 3.33Å |
| 36 | N | 38.6 | Very low | 41 | Very low | 98 Ų | 98 | 131 Ų | 131 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.3 | 7.7 | 174.4 | -78 | -48.3 | 0 | 0 | 0 | 113.9 | N34 R53 | N34-N36 PolarHBondContact O-N 3.24Å; N34-N36 VanDerWaalsContact O-N 3.14Å; N36-R53 PolarHBondContact OD1-NH1 2.85Å; N36-R53 PolarHBondContact OD1-NH2 3.38Å |
| 37 | T | 31.9 | Very low | 40.7 | Very low | 90 Ų | 90 | 128 Ų | 128 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -122 | 14.8 | -168.2 | 18.1 | 0 | 0 | 0 | 0 | 115.3 | N34 | N34-T37 WeakPolarHBondContact CA-OG1 3.48Å; N34-T37 PolarHBondContact O-N 3.01Å; N34-T37 PolarHBondContact O-OG1 2.91Å; N34-T37 PolarHBondContact OD1-OG1 2.76Å |
| 38 | Q | 32 | Very low | 40.2 | Very low | 183 Ų | 183 | 125.8 Ų | 125.8 | 86% | 0.855 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -150.5 | 52.1 | 176.9 | -154.9 | 166.6 | 17.9 | 0 | 0 | 114.4 | ||
| 39 | E | 34.6 | Very low | 39.8 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 63% | 0.634 | S | S | * | * | trans | -145.5 | 80.3 | 153.5 | -75.6 | -158.2 | 155.5 | 0 | 0 | 107.7 | S41 | E39-S41 PolarHBondContact O-N 3Š| ||
| 40 | D | 33.7 | Very low | 40.1 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 95% | 0.952 | 64% | 0.639 | S | S | * | * | trans | -67.4 | 60 | 157.1 | -87.6 | -35.1 | 0 | 0 | 0 | 109 | G42 | D40-G42 PolarHBondContact O-N 2.81Š| ||
| 41 | S | 30.4 | Very low | 40.5 | Very low | 68 Ų | 68 | 123.3 Ų | 123.3 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | trans | -83.9 | 96.7 | 172.2 | -57.9 | 0 | 0 | 0 | 0 | 107.4 | E39 N46 | E39-S41 PolarHBondContact O-N 3Å; S41-N46 PolarHBondContact O-ND2 3.09Å | ||
| 42 | G | 33.7 | Very low | 40.6 | Very low | 42 Ų | 42 | 122.3 Ų | 122.3 | 43% | 0.433 | 61% | 0.613 | S | S | . | * | trans | 56.1 | 99.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D40 N44 D45 N46 | D40-G42 PolarHBondContact O-N 2.81Å; G42-N44 PolarHBondContact O-N 3.48Å; G42-D45 PolarHBondContact O-N 3.49Å; G42-N46 VanDerWaalsContact C-ND2 3.35Å; G42-N46 PolarHBondContact O-ND2 3.47Å | ||
| 43 | E | 39.1 | Very low | 41.3 | Very low | 201 Ų | 201 | 123.2 Ų | 123.2 | 94% | 0.939 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.4 | -17.7 | 177.3 | -139.2 | 165.4 | 136.6 | 0 | 0 | 115.6 | ||
| 44 | N | 41.3 | Very low | 42 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 77% | 0.765 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -25.6 | -179.4 | -148.2 | 16.1 | 0 | 0 | 0 | 115.2 | G42 N46 | G42-N44 PolarHBondContact O-N 3.48Å; N44-N46 VanDerWaalsContact C-N 3.28Å; N44-N46 PolarHBondContact O-N 3.14Å |
| 45 | D | 39.6 | Very low | 42.5 | Very low | 121 Ų | 121 | 115.5 Ų | 115.5 | 65% | 0.647 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -6.4 | 179.3 | -69 | -33 | 0 | 0 | 0 | 112.7 | G42 S47 | G42-D45 PolarHBondContact O-N 3.49Å; D45-S47 PolarHBondContact O-N 3.34Å |
| 46 | N | 44.5 | Very low | 43.3 | Very low | 45 Ų | 45 | 110.1 Ų | 110.1 | 24% | 0.241 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -80.7 | -12.8 | -170 | -81 | -60.1 | 0 | 0 | 0 | 115.1 | S41 G42 N44 R50 | S41-N46 PolarHBondContact O-ND2 3.09Å; G42-N46 VanDerWaalsContact C-ND2 3.35Å; G42-N46 PolarHBondContact O-ND2 3.47Å; N44-N46 VanDerWaalsContact C-N 3.28Å; N44-N46 PolarHBondContact O-N 3.14Å; N46-R50 WeakPolarHBondContact O-CB 3.03Å; N46-R50 WeakPolarHBondContact O-CG 3.37Å; N46-R50 PolarHBondContact O-N 2.89Å |
| 47 | S | 51.3 | Low | 44.3 | Very low | 62 Ų | 62 | 112.8 Ų | 112.8 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.5 | -43.4 | -177.2 | 68 | 0 | 0 | 0 | 0 | 111.7 | D45 T51 | D45-S47 PolarHBondContact O-N 3.34Å; S47-T51 PolarHBondContact O-N 2.7Å; S47-T51 PolarHBondContact O-OG1 3.07Å |
| 48 | V | 44.6 | Very low | 45.2 | Very low | 97 Ų | 97 | 112 Ų | 112 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73 | -44.5 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | R50 T51 F52 | V48-R50 VanDerWaalsContact C-N 3.35Å; V48-R50 PolarHBondContact O-N 3.17Å; V48-T51 VanDerWaalsContact CA-OG1 3.31Å; V48-T51 WeakPolarHBondContact CA-OG1 2.94Å; V48-T51 PolarHBondContact O-N 3.08Å; V48-T51 PolarHBondContact O-OG1 3.33Å; V48-F52 VanDerWaalsContact O-CB 3.22Å; V48-F52 WeakPolarHBondContact O-CB 3.24Å; V48-F52 PolarHBondContact O-N 3.17Å |
| 49 | L | 44.7 | Very low | 46.1 | Very low | 111 Ų | 111 | 106 Ų | 106 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.9 | -37.4 | 175.2 | -87.2 | 147.9 | 0 | 0 | 0 | 112 | R53 | L49-R53 WeakPolarHBondContact O-CB 3.39Å; L49-R53 PolarHBondContact O-N 2.96Å |
| 50 | R | 52.3 | Low | 46.9 | Very low | 188 Ų | 188 | 102.5 Ų | 102.5 | 71% | 0.709 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.2 | -44.3 | 172.9 | -83.8 | 178.2 | 173.6 | 158.3 | 0.4 | 112.4 | N46 V48 F52 R53 R54 | N46-R50 WeakPolarHBondContact O-CB 3.03Å; N46-R50 WeakPolarHBondContact O-CG 3.37Å; N46-R50 PolarHBondContact O-N 2.89Å; V48-R50 VanDerWaalsContact C-N 3.35Å; V48-R50 PolarHBondContact O-N 3.17Å; R50-F52 VanDerWaalsContact C-N 3.32Å; R50-R53 PolarHBondContact O-N 3.32Å; R50-R54 VanDerWaalsContact O-CB 3.22Å; R50-R54 WeakPolarHBondContact O-CB 3.46Å; R50-R54 PolarHBondContact O-N 2.93Å |
| 51 | T | 54 | Low | 47.7 | Very low | 35 Ų | 35 | 100.3 Ų | 100.3 | 22% | 0.215 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177 | 31.7 | 0 | 0 | 0 | 0 | 111.2 | S47 V48 R54 C55 L70 | S47-T51 PolarHBondContact O-N 2.7Å; S47-T51 PolarHBondContact O-OG1 3.07Å; V48-T51 VanDerWaalsContact CA-OG1 3.31Å; V48-T51 WeakPolarHBondContact CA-OG1 2.94Å; V48-T51 PolarHBondContact O-N 3.08Å; V48-T51 PolarHBondContact O-OG1 3.33Å; T51-R54 PolarHBondContact O-N 2.99Å; T51-C55 WeakPolarHBondContact O-CB 3.45Å; T51-C55 PolarHBondContact O-N 3.37Å; T51-L70 WeakPolarHBondContact O-CD2 3.38Å |
| 52 | F | 49.1 | Very low | 48.2 | Very low | 86 Ų | 86 | 104.4 Ų | 104.4 | 38% | 0.377 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 174.7 | -168.5 | -95.2 | 0 | 0 | 0 | 112.4 | V48 R50 R54 C55 M56 N81 I83 | V48-F52 VanDerWaalsContact O-CB 3.22Å; V48-F52 WeakPolarHBondContact O-CB 3.24Å; V48-F52 PolarHBondContact O-N 3.17Å; R50-F52 VanDerWaalsContact C-N 3.32Å; F52-R54 VanDerWaalsContact C-N 3.29Å; F52-R54 PolarHBondContact O-N 3.48Å; F52-C55 WeakPolarHBondContact O-CB 3.46Å; F52-C55 PolarHBondContact O-N 3.45Å; F52-M56 HydrophobicContact CD1-CG 4.11Å; F52-M56 HydrophobicContact CE1-CG 3.82Å; F52-M56 HydrophobicContact CE1-SD 4.36Å; F52-M56 HydrophobicContact CZ-CG 4.3Å; F52-M56 HydrophobicContact CZ-SD 4.43Å; F52-M56 WeakPolarHBondContact O-CB 3.45Å; F52-M56 WeakPolarHBondContact O-CG 3.32Å; F52-M56 PolarHBondContact O-N 3.47Å; F52-N81 WeakPolarHBondContact CE2-O 3.4Å; F52-I83 HydrophobicContact CB-CD1 4.16Å; F52-I83 HydrophobicContact CD2-CD1 4.31Å; F52-I83 HydrophobicContact CD2-CG1 4.34Å |
| 53 | R | 57.4 | Low | 48.4 | Very low | 157 Ų | 157 | 110.1 Ų | 110.1 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -34.5 | 175.9 | -165.2 | -179.1 | -89 | -171.5 | -8 | 111.5 | N36 L49 R50 W57 | N36-R53 PolarHBondContact OD1-NH1 2.85Å; N36-R53 PolarHBondContact OD1-NH2 3.38Å; L49-R53 WeakPolarHBondContact O-CB 3.39Å; L49-R53 PolarHBondContact O-N 2.96Å; R50-R53 PolarHBondContact O-N 3.32Å; R53-W57 VanDerWaalsContact O-CB 3.26Å; R53-W57 WeakPolarHBondContact O-CB 3.38Å; R53-W57 PolarHBondContact O-N 3.43Å |
| 54 | R | 55.7 | Low | 48.3 | Very low | 162 Ų | 162 | 105.7 Ų | 105.7 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.2 | -38.3 | 174 | -164.1 | 168.5 | -172.1 | 163.5 | -0.5 | 112.4 | R50 T51 F52 W57 E58 L70 | R50-R54 VanDerWaalsContact O-CB 3.22Å; R50-R54 WeakPolarHBondContact O-CB 3.46Å; R50-R54 PolarHBondContact O-N 2.93Å; T51-R54 PolarHBondContact O-N 2.99Å; F52-R54 VanDerWaalsContact C-N 3.29Å; F52-R54 PolarHBondContact O-N 3.48Å; R54-W57 PolarHBondContact O-N 2.89Å; R54-E58 WeakPolarHBondContact O-CB 3.19Å; R54-E58 WeakPolarHBondContact O-CG 3.01Å; R54-E58 PolarHBondContact O-N 3.42Å; R54-L70 HydrophobicContact CB-CD2 4.31Å |
| 55 | C | 49.3 | Very low | 48.1 | Very low | 0 Ų | 0 | 109.6 Ų | 109.6 | 0% | 0 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -60.5 | -51.1 | 172.7 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | T51 F52 W57 E58 Q59 L70 C78 | T51-C55 WeakPolarHBondContact O-CB 3.45Å; T51-C55 PolarHBondContact O-N 3.37Å; F52-C55 WeakPolarHBondContact O-CB 3.46Å; F52-C55 PolarHBondContact O-N 3.45Å; C55-W57 PolarHBondContact O-N 3.28Å; C55-E58 PolarHBondContact O-N 2.98Å; C55-Q59 PolarHBondContact O-N 2.84Å; C55-Q59 VanDerWaalsContact O-N 3.09Å; C55-L70 HydrophobicContact CB-CD1 3.96Å; C55-L70 HydrophobicContact CB-CD2 4.03Å; C55-C78 VanDerWaalsContact C-SG 3.52Å; C55-C78 WeakPolarHBondContact CA-SG 3.22Å; C55-C78 HydrophobicContact CB-CB 3.77Å; C55-C78 WeakPolarHBondContact CB-SG 3.47Å; C55-C78 PolarHBondContact O-SG 3.46Å; C55-C78 VanDerWaalsContact O-SG 3.4Å; C55-C78 WeakPolarHBondContact SG-CB 3.31Å; C55-C78 CovalentContact SG-SG 2Å; C55-C78 PolarHBondContact SG-SG 3.27Å |
| 56 | M | 52 | Low | 48.1 | Very low | 79 Ų | 79 | 115.1 Ų | 115.1 | 39% | 0.389 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.5 | -70.8 | -74.7 | -73.9 | 0 | 0 | 112.3 | F52 S60 N81 | F52-M56 HydrophobicContact CD1-CG 4.11Å; F52-M56 HydrophobicContact CE1-CG 3.82Å; F52-M56 HydrophobicContact CE1-SD 4.36Å; F52-M56 HydrophobicContact CZ-CG 4.3Å; F52-M56 HydrophobicContact CZ-SD 4.43Å; F52-M56 WeakPolarHBondContact O-CB 3.45Å; F52-M56 WeakPolarHBondContact O-CG 3.32Å; F52-M56 PolarHBondContact O-N 3.47Å; M56-S60 WeakPolarHBondContact O-CB 3.48Å; M56-S60 PolarHBondContact O-N 3.47Å; M56-N81 HydrophobicContact SD-CB 3.7Å; M56-N81 PolarHBondContact SD-OD1 2.82Å |
| 57 | W | 58.5 | Low | 48.1 | Very low | 153 Ų | 153 | 118.2 Ų | 118.2 | 58% | 0.58 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.3 | -41.6 | 179.4 | -176 | 31.8 | 0 | 0 | 0 | 112.7 | R53 R54 C55 S60 K61 | R53-W57 VanDerWaalsContact O-CB 3.26Å; R53-W57 WeakPolarHBondContact O-CB 3.38Å; R53-W57 PolarHBondContact O-N 3.43Å; R54-W57 PolarHBondContact O-N 2.89Å; C55-W57 PolarHBondContact O-N 3.28Å; W57-S60 PolarHBondContact O-N 2.9Å; W57-S60 PolarHBondContact O-OG 2.83Å; W57-K61 PolarHBondContact O-N 2.87Å |
| 58 | E | 51.5 | Low | 47.6 | Very low | 73 Ų | 73 | 116.8 Ų | 116.8 | 34% | 0.341 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 176.2 | -81.7 | -91.4 | 164.5 | 0 | 0 | 112 | R54 C55 S60 K61 V68 | R54-E58 WeakPolarHBondContact O-CB 3.19Å; R54-E58 WeakPolarHBondContact O-CG 3.01Å; R54-E58 PolarHBondContact O-N 3.42Å; C55-E58 PolarHBondContact O-N 2.98Å; E58-S60 VanDerWaalsContact C-N 3.31Å; E58-S60 PolarHBondContact O-N 3.46Å; E58-K61 PolarHBondContact O-N 3.04Å; E58-V68 HydrophobicContact CB-CB 4.35Å; E58-V68 HydrophobicContact CB-CG1 3.94Å; E58-V68 HydrophobicContact CB-CG2 4.1Å; E58-V68 HydrophobicContact CG-CG1 3.79Å; E58-V68 WeakPolarHBondContact OE2-CG1 3.32Å |
| 59 | Q | 50 | Low | 47.7 | Very low | 59 Ų | 59 | 116.8 Ų | 116.8 | 28% | 0.276 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -32.1 | 173.5 | -74.8 | -153.9 | 8 | 0 | 0 | 113.3 | C55 K61 F62 N81 | C55-Q59 PolarHBondContact O-N 2.84Å; C55-Q59 VanDerWaalsContact O-N 3.09Å; Q59-K61 PolarHBondContact O-N 3.33Å; Q59-F62 PolarHBondContact O-N 2.69Å; Q59-N81 PolarHBondContact OE1-OD1 2.85Å |
| 60 | S | 52.8 | Low | 48 | Very low | 92 Ų | 92 | 112.9 Ų | 112.9 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -17.4 | 178 | 74.9 | 0 | 0 | 0 | 0 | 113.9 | M56 W57 E58 | M56-S60 WeakPolarHBondContact O-CB 3.48Å; M56-S60 PolarHBondContact O-N 3.47Å; W57-S60 PolarHBondContact O-N 2.9Å; W57-S60 PolarHBondContact O-OG 2.83Å; E58-S60 VanDerWaalsContact C-N 3.31Å; E58-S60 PolarHBondContact O-N 3.46Å |
| 61 | K | 50.6 | Low | 47.8 | Very low | 132 Ų | 132 | 104.8 Ų | 104.8 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -93 | -21 | 179.3 | -81.6 | -175.9 | 177 | 175.1 | 0 | 114.2 | W57 E58 Q59 | W57-K61 PolarHBondContact O-N 2.87Å; E58-K61 PolarHBondContact O-N 3.04Å; Q59-K61 PolarHBondContact O-N 3.33Å |
| 62 | F | 39.5 | Very low | 47.7 | Very low | 155 Ų | 155 | 105.2 Ų | 105.2 | 68% | 0.68 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -131.4 | 122 | -175.4 | -74.2 | -81.2 | 0 | 0 | 0 | 110.7 | Q59 | Q59-F62 PolarHBondContact O-N 2.69Š|
| 63 | L | 38.2 | Very low | 47.7 | Very low | 162 Ų | 162 | 101.6 Ų | 101.6 | 85% | 0.848 | 47% | 0.468 | S | S | * | . | trans | -44.2 | 149.1 | 170 | -90.7 | 116.3 | 0 | 0 | 0 | 111.5 | R65 | L63-R65 PolarHBondContact O-N 2.98Š| ||
| 64 | P | 38.5 | Very low | 47.5 | Very low | 107 Ų | 107 | 96.3 Ų | 96.3 | 70% | 0.695 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -70.7 | 88.2 | -153.6 | 30.7 | -35.3 | 0 | 0 | 0 | 110.6 | ||
| 65 | R | 36.1 | Very low | 47.2 | Very low | 226 Ų | 226 | 91.6 Ų | 91.6 | 85% | 0.853 | 44% | 0.442 | S | S | * | . | trans | -177.5 | 93.9 | 169.6 | -100.4 | 165 | -152.6 | -149.6 | 8.3 | 107.7 | L63 | L63-R65 PolarHBondContact O-N 2.98Š| ||
| 66 | R | 40.4 | Very low | 47.2 | Very low | 236 Ų | 236 | 93.7 Ų | 93.7 | 89% | 0.891 | 45% | 0.453 | S | S | * | . | trans | 155.6 | 124.9 | 136 | -84 | 159.8 | -176.1 | -163.3 | 0.9 | 109.9 | V68 | R66-V68 PolarHBondContact O-N 3.36Š| ||
| 67 | L | 42.8 | Very low | 47.1 | Very low | 110 Ų | 110 | 91.4 Ų | 91.4 | 58% | 0.576 | 44% | 0.441 | S | S | * | . | trans | -41.5 | 126.3 | 174 | -71.9 | 129.4 | 0 | 0 | 0 | 111.7 | F77 E79 | L67-F77 HydrophobicContact CB-CD1 4.31Å; L67-F77 HydrophobicContact CD2-CB 3.81Å; L67-F77 HydrophobicContact CD2-CD1 3.92Å; L67-F77 HydrophobicContact CD2-CG 4.09Å; L67-E79 HydrophobicContact CD2-CB 4.48Å | ||
| 68 | V | 41.9 | Very low | 46.4 | Very low | 33 Ų | 33 | 84.2 Ų | 84.2 | 20% | 0.2 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.8 | 174.6 | -179 | 0 | 0 | 0 | 0 | 108.7 | E58 R66 L70 C78 | E58-V68 HydrophobicContact CB-CB 4.35Å; E58-V68 HydrophobicContact CB-CG1 3.94Å; E58-V68 HydrophobicContact CB-CG2 4.1Å; E58-V68 HydrophobicContact CG-CG1 3.79Å; E58-V68 WeakPolarHBondContact OE2-CG1 3.32Å; R66-V68 PolarHBondContact O-N 3.36Å; V68-L70 PolarHBondContact O-N 3.44Å; V68-C78 HydrophobicContact CB-CB 4.22Å; V68-C78 PolarHBondContact O-N 3.33Å |
| 69 | L | 46.1 | Very low | 46.3 | Very low | 96 Ų | 96 | 85.3 Ų | 85.3 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 105.6 | -173.9 | -150.4 | 143.7 | 0 | 0 | 0 | 108.6 | L72 F77 | L69-L72 HydrophobicContact CD2-CB 4.45Å; L69-L72 HydrophobicContact CD2-CD2 4.37Å; L69-L72 HydrophobicContact CD2-CG 3.83Å; L69-F77 HydrophobicContact CD1-CE1 3.83Å; L69-F77 HydrophobicContact CD1-CZ 4.28Å; L69-F77 HydrophobicContact CG-CE1 4.03Å; L69-F77 HydrophobicContact CG-CZ 4.5Å |
| 70 | L | 50.8 | Low | 46.5 | Very low | 29 Ų | 29 | 88 Ų | 88 | 15% | 0.152 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -26.8 | -173.6 | -75.6 | 159.8 | 0 | 0 | 0 | 112.5 | T51 R54 C55 V68 L76 C78 I83 | T51-L70 WeakPolarHBondContact O-CD2 3.38Å; R54-L70 HydrophobicContact CB-CD2 4.31Å; C55-L70 HydrophobicContact CB-CD1 3.96Å; C55-L70 HydrophobicContact CB-CD2 4.03Å; V68-L70 PolarHBondContact O-N 3.44Å; L70-L76 HydrophobicContact CB-CB 4.28Å; L70-L76 WeakPolarHBondContact CB-O 3.34Å; L70-L76 PolarHBondContact N-O 3.04Å; L70-C78 HydrophobicContact CD1-CB 3.73Å; L70-C78 HydrophobicContact CG-CB 4.14Å; L70-I83 HydrophobicContact CD1-CD1 4.43Å; L70-I83 HydrophobicContact CD1-CG1 4Å; L70-I83 HydrophobicContact CD1-CG2 4.1Å |
| 71 | S | 49.7 | Very low | 46.5 | Very low | 19 Ų | 19 | 86.7 Ų | 86.7 | 13% | 0.133 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 125.7 | 176.8 | 166.9 | 0 | 0 | 0 | 0 | 110.7 | C73 S74 N75 | S71-C73 VanDerWaalsContact C-N 3.3Å; S71-C73 PolarHBondContact OG-N 2.88Å; S71-S74 WeakPolarHBondContact CB-OG 3.29Å; S71-S74 PolarHBondContact OG-N 3.36Å; S71-S74 VanDerWaalsContact OG-N 3.07Å; S71-S74 PolarHBondContact OG-OG 2.95Å; S71-N75 PolarHBondContact O-N 3.05Å |
| 72 | L | 50.4 | Low | 46.2 | Very low | 43 Ų | 43 | 86.1 Ų | 86.1 | 23% | 0.225 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -34.5 | 175.5 | -88 | 142 | 0 | 0 | 0 | 112.3 | L69 M119 Y130 L133 | L69-L72 HydrophobicContact CD2-CB 4.45Å; L69-L72 HydrophobicContact CD2-CD2 4.37Å; L69-L72 HydrophobicContact CD2-CG 3.83Å; L72-M119 HydrophobicContact CD2-CG 3.87Å; L72-M119 HydrophobicContact CD2-SD 4.17Å; L72-Y130 HydrophobicContact CB-CD2 4.48Å; L72-L133 HydrophobicContact CD1-CD2 3.3Å |
| 73 | C | 49.3 | Very low | 46.9 | Very low | 11 Ų | 11 | 80.8 Ų | 80.8 | 7% | 0.074 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -27.3 | -174 | -91.3 | 0 | 0 | 0 | 0 | 115.2 | S71 C102 F123 C126 C127 | S71-C73 VanDerWaalsContact C-N 3.3Å; S71-C73 PolarHBondContact OG-N 2.88Å; C73-C102 PolarHBondContact SG-SG 3.34Å; C73-F123 HydrophobicContact CB-CD2 4.46Å; C73-C126 WeakPolarHBondContact CA-SG 3.46Å; C73-C126 HydrophobicContact CB-CB 4.27Å; C73-C126 WeakPolarHBondContact CB-SG 3.45Å; C73-C126 WeakPolarHBondContact SG-CB 3.5Å; C73-C126 PolarHBondContact SG-O 3.43Å; C73-C126 VanDerWaalsContact SG-O 3.35Å; C73-C126 CovalentContact SG-SG 2.03Å; C73-C126 PolarHBondContact SG-SG 2.89Å; C73-C127 VanDerWaalsContact SG-CA 3.52Å; C73-C127 PolarHBondContact SG-N 2.99Å; C73-C127 VanDerWaalsContact SG-N 3.39Å |
| 74 | S | 52.6 | Low | 47.5 | Very low | 45 Ų | 45 | 77.8 Ų | 77.8 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 5.1 | 178.3 | 54 | 0 | 0 | 0 | 0 | 113.4 | S71 L76 | S71-S74 WeakPolarHBondContact CB-OG 3.29Å; S71-S74 PolarHBondContact OG-N 3.36Å; S71-S74 VanDerWaalsContact OG-N 3.07Å; S71-S74 PolarHBondContact OG-OG 2.95Å; S74-L76 PolarHBondContact O-N 2.89Å; S74-L76 VanDerWaalsContact O-N 3.08Å; S74-L76 WeakPolarHBondContact OG-CD1 3.22Å; S74-L76 WeakPolarHBondContact OG-CG 3.37Å |
| 75 | N | 49.8 | Very low | 48.1 | Very low | 64 Ų | 64 | 76.6 Ų | 76.6 | 34% | 0.342 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 39.5 | 178.2 | -85.7 | -57 | 0 | 0 | 0 | 112.2 | S71 F77 R86 | S71-N75 PolarHBondContact O-N 3.05Å; N75-F77 HydrophobicContact CB-CE2 4.35Å; N75-F77 VanDerWaalsContact O-CD2 3.27Å; N75-F77 WeakPolarHBondContact O-CD2 3.21Å; N75-F77 WeakPolarHBondContact O-CE2 3.1Å; N75-R86 HydrophobicContact CB-CB 4.2Å; N75-R86 PolarHBondContact O-N 2.9Å |
| 76 | L | 49.9 | Very low | 48.7 | Very low | 44 Ų | 44 | 73.9 Ų | 73.9 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122.2 | 179.7 | -66.2 | 170.2 | 0 | 0 | 0 | 109.3 | L70 S74 I83 P85 | L70-L76 HydrophobicContact CB-CB 4.28Å; L70-L76 WeakPolarHBondContact CB-O 3.34Å; L70-L76 PolarHBondContact N-O 3.04Å; S74-L76 PolarHBondContact O-N 2.89Å; S74-L76 VanDerWaalsContact O-N 3.08Å; S74-L76 WeakPolarHBondContact OG-CD1 3.22Å; S74-L76 WeakPolarHBondContact OG-CG 3.37Å; L76-I83 HydrophobicContact CB-CG2 3.91Å; L76-I83 HydrophobicContact CD1-CG2 4.44Å; L76-I83 HydrophobicContact CD2-CG2 3.71Å; L76-I83 HydrophobicContact CG-CG2 4.22Å; L76-P85 HydrophobicContact CD2-CB 4.22Å |
| 77 | F | 50.7 | Low | 48.6 | Very low | 31 Ų | 31 | 68 Ų | 68 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139 | 179.3 | -65 | -91.2 | 0 | 0 | 0 | 110.2 | L67 L69 N75 I83 M84 R86 | L67-F77 HydrophobicContact CB-CD1 4.31Å; L67-F77 HydrophobicContact CD2-CB 3.81Å; L67-F77 HydrophobicContact CD2-CD1 3.92Å; L67-F77 HydrophobicContact CD2-CG 4.09Å; L69-F77 HydrophobicContact CD1-CE1 3.83Å; L69-F77 HydrophobicContact CD1-CZ 4.28Å; L69-F77 HydrophobicContact CG-CE1 4.03Å; L69-F77 HydrophobicContact CG-CZ 4.5Å; N75-F77 HydrophobicContact CB-CE2 4.35Å; N75-F77 VanDerWaalsContact O-CD2 3.27Å; N75-F77 WeakPolarHBondContact O-CD2 3.21Å; N75-F77 WeakPolarHBondContact O-CE2 3.1Å; F77-I83 CarbonylContact O-C 3.55Å; F77-I83 WeakPolarHBondContact O-CA 3.27Å; F77-M84 PolarHBondContact N-O 3.15Å; F77-M84 PolarHBondContact O-N 2.98Å; F77-R86 HydrophobicContact CD2-CB 3.96Å; F77-R86 HydrophobicContact CE2-CB 3.59Å; F77-R86 HydrophobicContact CE2-CG 4.2Å |
| 78 | C | 42.4 | Very low | 48.1 | Very low | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 111.4 | 169.4 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | C55 V68 L70 | C55-C78 VanDerWaalsContact C-SG 3.52Å; C55-C78 WeakPolarHBondContact CA-SG 3.22Å; C55-C78 HydrophobicContact CB-CB 3.77Å; C55-C78 WeakPolarHBondContact CB-SG 3.47Å; C55-C78 PolarHBondContact O-SG 3.46Å; C55-C78 VanDerWaalsContact O-SG 3.4Å; C55-C78 WeakPolarHBondContact SG-CB 3.31Å; C55-C78 CovalentContact SG-SG 2Å; C55-C78 PolarHBondContact SG-SG 3.27Å; V68-C78 HydrophobicContact CB-CB 4.22Å; V68-C78 PolarHBondContact O-N 3.33Å; L70-C78 HydrophobicContact CD1-CB 3.73Å; L70-C78 HydrophobicContact CG-CB 4.14Å |
| 79 | E | 50.9 | Low | 47.4 | Very low | 96 Ų | 96 | 77.3 Ų | 77.3 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.8 | 174.2 | -174.5 | 173.5 | -162 | 0 | 0 | 109.5 | L67 N81 H82 | L67-E79 HydrophobicContact CD2-CB 4.48Å; E79-N81 PolarHBondContact O-N 3.3Å; E79-H82 PolarHBondContact N-O 3.02Å; E79-H82 PolarHBondContact O-N 3.04Å; E79-H82 VanDerWaalsContact O-O 3.07Å |
| 80 | N | 53.9 | Low | 46.7 | Very low | 116 Ų | 116 | 79.5 Ų | 79.5 | 62% | 0.62 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44 | 51.8 | -179.6 | -59.8 | -31.1 | 0 | 0 | 0 | 115.1 | H82 | N80-H82 PolarHBondContact O-CD2 3.26Å; N80-H82 PolarHBondContact O-N 3.04Å; N80-H82 VanDerWaalsContact O-N 3.13Å |
| 81 | N | 52.6 | Low | 45.4 | Very low | 64 Ų | 64 | 87 Ų | 87 | 34% | 0.342 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 12 | -176.5 | -59.7 | -23.5 | 0 | 0 | 0 | 116 | F52 M56 Q59 E79 | F52-N81 WeakPolarHBondContact CE2-O 3.4Å; M56-N81 HydrophobicContact SD-CB 3.7Å; M56-N81 PolarHBondContact SD-OD1 2.82Å; Q59-N81 PolarHBondContact OE1-OD1 2.85Å; E79-N81 PolarHBondContact O-N 3.3Å |
| 82 | H | 44.1 | Very low | 44.5 | Very low | 119 Ų | 119 | 92.6 Ų | 92.6 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.5 | 174 | -67.9 | -78.8 | 0 | 0 | 0 | 110.5 | E79 N80 M84 | E79-H82 PolarHBondContact N-O 3.02Å; E79-H82 PolarHBondContact O-N 3.04Å; E79-H82 VanDerWaalsContact O-O 3.07Å; N80-H82 PolarHBondContact O-CD2 3.26Å; N80-H82 PolarHBondContact O-N 3.04Å; N80-H82 VanDerWaalsContact O-N 3.13Å; H82-M84 PolarHBondContact O-N 3.02Å |
| 83 | I | 55.1 | Low | 43.5 | Very low | 44 Ų | 44 | 96 Ų | 96 | 23% | 0.226 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 110.6 | 171.6 | -55 | 177.5 | 0 | 0 | 0 | 107 | F52 L70 L76 F77 | F52-I83 HydrophobicContact CB-CD1 4.16Å; F52-I83 HydrophobicContact CD2-CD1 4.31Å; F52-I83 HydrophobicContact CD2-CG1 4.34Å; L70-I83 HydrophobicContact CD1-CD1 4.43Å; L70-I83 HydrophobicContact CD1-CG1 4Å; L70-I83 HydrophobicContact CD1-CG2 4.1Å; L76-I83 HydrophobicContact CB-CG2 3.91Å; L76-I83 HydrophobicContact CD1-CG2 4.44Å; L76-I83 HydrophobicContact CD2-CG2 3.71Å; L76-I83 HydrophobicContact CG-CG2 4.22Å; F77-I83 CarbonylContact O-C 3.55Å; F77-I83 WeakPolarHBondContact O-CA 3.27Å |
| 84 | M | 48.8 | Very low | 42.4 | Very low | 99 Ų | 99 | 104 Ų | 104 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 118.1 | -179.9 | -78.1 | -84.8 | 155.5 | 0 | 0 | 109.6 | F77 H82 | F77-M84 PolarHBondContact N-O 3.15Å; F77-M84 PolarHBondContact O-N 2.98Å; H82-M84 PolarHBondContact O-N 3.02Å |
| 85 | P | 52.2 | Low | 41.2 | Very low | 82 Ų | 82 | 110.9 Ų | 110.9 | 53% | 0.532 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.7 | 133.5 | 166.3 | 28.9 | -30.2 | 0 | 0 | 0 | 109.2 | L76 S87 | L76-P85 HydrophobicContact CD2-CB 4.22Å; P85-S87 PolarHBondContact O-N 3.28Å |
| 86 | R | 48.1 | Very low | 40.1 | Very low | 168 Ų | 168 | 116.5 Ų | 116.5 | 63% | 0.634 | 58% | 0.584 | S | S | * | * | trans | -69 | 93.4 | 177.5 | -169.5 | 179.8 | -174.8 | -160.9 | 1.6 | 110.2 | N75 F77 R88 | N75-R86 HydrophobicContact CB-CB 4.2Å; N75-R86 PolarHBondContact O-N 2.9Å; F77-R86 HydrophobicContact CD2-CB 3.96Å; F77-R86 HydrophobicContact CE2-CB 3.59Å; F77-R86 HydrophobicContact CE2-CG 4.2Å; R86-R88 PolarHBondContact O-N 2.98Å | ||
| 87 | S | 38.8 | Very low | 39.1 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 79% | 0.79 | 61% | 0.606 | S | S | * | * | trans | -76.2 | 77.5 | 178.1 | 53 | 0 | 0 | 0 | 0 | 112.1 | P85 | P85-S87 PolarHBondContact O-N 3.28Š| ||
| 88 | R | 32.9 | Very low | 38.3 | Very low | 227 Ų | 227 | 127.7 Ų | 127.7 | 86% | 0.857 | 64% | 0.638 | S | S | * | * | trans | -143.1 | 125.1 | 154.8 | -75.7 | -164.6 | 175.8 | 171 | -1.9 | 110.7 | R86 | R86-R88 PolarHBondContact O-N 2.98Š| ||
| 89 | S | 27.1 | Very low | 38.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | 74.4 | 96.5 | -171.6 | 71 | 0 | 0 | 0 | 0 | 114 | ||||
| 90 | I | 30.2 | Very low | 38 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | 71.8 | 112.1 | 67.4 | -60.2 | 168.8 | 0 | 0 | 0 | 112.6 | |||||
| 91 | F | 24.8 | Very low | 38.1 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | trans | 92.8 | 138.4 | 169.7 | -61.4 | -66 | 0 | 0 | 0 | 120 | ||||
| 92 | V | 30.9 | Very low | 38.5 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | trans | 98.5 | 77.8 | 179.1 | -167.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 93 | V | 27.9 | Very low | 39 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 69% | 0.685 | 65% | 0.651 | S | S | * | * | 53.7 | 111.6 | 70 | -170.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 94 | E | 26.1 | Very low | 39.1 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 27.5 | 92.1 | 155.5 | -71.1 | 175.7 | 111.8 | 0 | 0 | 117.8 | ||
| 95 | K | 28.3 | Very low | 39.6 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | trans | -175.8 | 67.9 | 136.6 | -104.6 | 170.7 | -177.4 | 176.1 | 0 | 110 | S97 | K95-S97 PolarHBondContact O-N 2.99Š| ||
| 96 | M | 27.4 | Very low | 39.7 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 90% | 0.901 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 84.4 | 158.6 | -101 | 86.5 | -177.4 | 0 | 0 | 108.3 | ||
| 97 | S | 28 | Very low | 40.2 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.5 | 12.3 | 165 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | K95 | K95-S97 PolarHBondContact O-N 2.99Š|
| 98 | R | 33 | Very low | 41.2 | Very low | 210 Ų | 210 | 128.4 Ų | 128.4 | 79% | 0.792 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -127.1 | 133.9 | 167.5 | -73.8 | -173.8 | 175.4 | 168.9 | -3 | 109.6 | N100 | R98-N100 PolarHBondContact O-N 2.73Š|
| 99 | P | 41.7 | Very low | 42.6 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 60% | 0.604 | 63% | 0.632 | S | S | * | * | trans | -62.5 | 128.2 | -175.9 | 21.1 | -21.6 | 0 | 0 | 0 | 108.3 | D101 | P99-D101 PolarHBondContact O-N 2.93Š| ||
| 100 | N | 47.1 | Very low | 44.3 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 56% | 0.561 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -70.1 | 51.5 | -176.3 | -73.7 | -50.8 | 0 | 0 | 0 | 112.7 | R98 | R98-N100 PolarHBondContact O-N 2.73Š|
| 101 | D | 55.9 | Low | 45.8 | Very low | 68 Ų | 68 | 116.6 Ų | 116.6 | 36% | 0.364 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -131.8 | 133.4 | -179.5 | -89.7 | -37.7 | 0 | 0 | 0 | 109.4 | P99 L103 | P99-D101 PolarHBondContact O-N 2.93Å; D101-L103 HydrophobicContact CB-CB 4.27Å; D101-L103 HydrophobicContact CB-CD1 3.46Å; D101-L103 VanDerWaalsContact CB-CD1 3.46Å; D101-L103 HydrophobicContact CB-CG 3.73Å; D101-L103 PolarHBondContact O-N 3.03Å |
| 102 | C | 60.3 | Low | 47.5 | Very low | 17 Ų | 17 | 114.2 Ų | 114.2 | 12% | 0.115 | 59% | 0.585 | C | S | . | * | G | 310 helix | trans | -65.1 | 25.6 | 173.2 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | C73 D104 I105 C127 Y130 | C73-C102 PolarHBondContact SG-SG 3.34Å; C102-D104 VanDerWaalsContact C-N 3.31Å; C102-I105 HydrophobicContact CB-CD1 4.26Å; C102-C127 WeakPolarHBondContact CA-SG 3.45Å; C102-C127 HydrophobicContact CB-CB 4.03Å; C102-C127 WeakPolarHBondContact CB-SG 3.45Å; C102-C127 WeakPolarHBondContact SG-CA 3.02Å; C102-C127 WeakPolarHBondContact SG-CB 3.4Å; C102-C127 CovalentContact SG-SG 2.02Å; C102-C127 PolarHBondContact SG-SG 3.25Å; C102-Y130 HydrophobicContact CB-CD1 3.75Å; C102-Y130 HydrophobicContact CB-CE1 4.41Å; C102-Y130 HydrophobicContact CB-CG 4.45Å |
| 103 | L | 55.3 | Low | 48.9 | Very low | 117 Ų | 117 | 110 Ų | 110 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -68.9 | -28.4 | -176.1 | -78.1 | 162.7 | 0 | 0 | 0 | 112.2 | D101 I105 | D101-L103 HydrophobicContact CB-CB 4.27Å; D101-L103 HydrophobicContact CB-CD1 3.46Å; D101-L103 VanDerWaalsContact CB-CD1 3.46Å; D101-L103 HydrophobicContact CB-CG 3.73Å; D101-L103 PolarHBondContact O-N 3.03Å; L103-I105 VanDerWaalsContact C-N 3.29Å; L103-I105 PolarHBondContact O-N 2.83Å |
| 104 | D | 55.9 | Low | 50.6 | Low | 138 Ų | 138 | 110.5 Ų | 110.5 | 74% | 0.738 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -82.5 | 0.1 | -176.3 | -66.9 | -21 | 0 | 0 | 0 | 114.2 | C102 L106 | C102-D104 VanDerWaalsContact C-N 3.31Å; D104-L106 PolarHBondContact O-N 3.38Å |
| 105 | I | 59.2 | Low | 52.4 | Low | 37 Ų | 37 | 105.5 Ų | 105.5 | 19% | 0.19 | 54% | 0.544 | C | S | . | . | trans | -83.7 | 117.6 | -176.1 | -64.7 | -177.8 | 0 | 0 | 0 | 110.4 | C102 L103 Q109 C127 C131 | C102-I105 HydrophobicContact CB-CD1 4.26Å; L103-I105 VanDerWaalsContact C-N 3.29Å; L103-I105 PolarHBondContact O-N 2.83Å; I105-Q109 HydrophobicContact CG2-CB 3.71Å; I105-C127 VanDerWaalsContact CD1-C 3.45Å; I105-C127 HydrophobicContact CD1-CB 3.18Å; I105-C127 WeakPolarHBondContact CD1-SG 3.15Å; I105-C131 HydrophobicContact CG2-CB 4.36Å | ||
| 106 | L | 53.9 | Low | 54.1 | Low | 101 Ų | 101 | 104.3 Ų | 104.3 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | trans | -67.7 | 149.2 | 174.5 | -77.5 | 102.5 | 0 | 0 | 0 | 110.9 | D104 E108 Q109 C110 | D104-L106 PolarHBondContact O-N 3.38Å; L106-E108 PolarHBondContact O-N 2.85Å; L106-Q109 WeakPolarHBondContact O-CB 3.46Å; L106-Q109 PolarHBondContact O-N 3.49Å; L106-C110 PolarHBondContact O-SG 2.97Å; L106-C110 VanDerWaalsContact O-SG 3.34Å | ||
| 107 | P | 60.4 | Low | 56 | Low | 80 Ų | 80 | 101 Ų | 101 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -53.6 | -27.3 | -177.8 | -25.3 | 32.6 | 0 | 0 | 0 | 115.2 | C110 | P107-C110 WeakPolarHBondContact O-CB 3.17Å; P107-C110 PolarHBondContact O-N 3.4Å |
| 108 | E | 59.5 | Low | 57.5 | Low | 163 Ų | 163 | 97.3 Ų | 97.3 | 76% | 0.762 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -72.9 | -27.5 | 179.4 | -60.1 | 176.9 | -169.5 | 0 | 0 | 112.6 | L106 C110 | L106-E108 PolarHBondContact O-N 2.85Å; E108-C110 PolarHBondContact O-N 3.45Å |
| 109 | Q | 60.8 | Low | 58.8 | Low | 85 Ų | 85 | 90.9 Ų | 90.9 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -81.8 | -5.3 | 178.4 | -65.7 | 170.6 | -6.9 | 0 | 0 | 112.2 | I105 L106 P128 | I105-Q109 HydrophobicContact CG2-CB 3.71Å; L106-Q109 WeakPolarHBondContact O-CB 3.46Å; L106-Q109 PolarHBondContact O-N 3.49Å; Q109-P128 WeakPolarHBondContact O-CB 3.47Å |
| 110 | C | 63.9 | Low | 59.5 | Low | 2 Ų | 2 | 95 Ų | 95 | 1% | 0.014 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -82.8 | -15.7 | -175.3 | -51.1 | 0 | 0 | 0 | 0 | 113.9 | L106 P107 E108 C131 N132 | L106-C110 PolarHBondContact O-SG 2.97Å; L106-C110 VanDerWaalsContact O-SG 3.34Å; P107-C110 WeakPolarHBondContact O-CB 3.17Å; P107-C110 PolarHBondContact O-N 3.4Å; E108-C110 PolarHBondContact O-N 3.45Å; C110-C131 HydrophobicContact CB-CB 3.64Å; C110-C131 WeakPolarHBondContact CB-SG 3.33Å; C110-C131 WeakPolarHBondContact SG-CB 3.26Å; C110-C131 CovalentContact SG-SG 2.01Å; C110-C131 PolarHBondContact SG-SG 2.89Å; C110-N132 PolarHBondContact O-ND2 3.39Å |
| 111 | E | 62.3 | Low | 60.1 | Low | 144 Ų | 144 | 93.3 Ų | 93.3 | 67% | 0.673 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -93.5 | -0.1 | 178.1 | -75.8 | -178.8 | 166.7 | 0 | 0 | 113.5 | G113 | E111-G113 PolarHBondContact O-N 3.24Š|
| 112 | Q | 59.7 | Low | 60 | Low | 139 Ų | 139 | 94.4 Ų | 94.4 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | trans | -84.3 | 102.9 | -178.4 | -75.7 | 178.8 | -4.8 | 0 | 0 | 111.5 | L118 | Q112-L118 WeakPolarHBondContact O-CD2 3.5Š| ||
| 113 | G | 59.7 | Low | 59.6 | Low | 46 Ų | 46 | 98 Ų | 98 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 115.7 | 151.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E111 E115 | E111-G113 PolarHBondContact O-N 3.24Å; G113-E115 PolarHBondContact O-N 2.84Å |
| 114 | D | 63.8 | Low | 59.9 | Low | 124 Ų | 124 | 96.1 Ų | 96.1 | 66% | 0.663 | 49% | 0.488 | S | S | * | . | trans | -64.1 | 122.8 | 176.1 | -71.5 | -35.6 | 0 | 0 | 0 | 110.2 | E116 E117 L118 | D114-E116 PolarHBondContact O-N 2.94Å; D114-E116 VanDerWaalsContact O-N 3.13Å; D114-E117 PolarHBondContact O-N 3.42Å; D114-L118 PolarHBondContact O-N 3.46Å | ||
| 115 | E | 65.2 | Low | 60.5 | Low | 75 Ų | 75 | 93.7 Ų | 93.7 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -55.6 | -34.8 | -173.1 | -63.5 | -171 | 136.9 | 0 | 0 | 112 | G113 M119 R136 | G113-E115 PolarHBondContact O-N 2.84Å; E115-M119 WeakPolarHBondContact O-CB 3.33Å; E115-M119 PolarHBondContact O-N 2Å; E115-R136 IonicContact OE1-CZ 3.87Å; E115-R136 IonicContact OE1-NH1 3.9Å; E115-R136 PolarHBondContact OE1-NH1 3.4Å; E115-R136 IonicContact OE2-CZ 3.29Å; E115-R136 IonicContact OE2-NH1 3.03Å; E115-R136 PolarHBondContact OE2-NH1 2.96Å; E115-R136 IonicContact OE2-NH2 3.95Å |
| 116 | E | 64.3 | Low | 60.9 | Low | 165 Ų | 165 | 92 Ų | 92 | 77% | 0.771 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69.2 | -35.1 | 179.5 | -100.7 | -178.5 | 149.7 | 0 | 0 | 113.6 | D114 Y120 | D114-E116 PolarHBondContact O-N 2.94Å; D114-E116 VanDerWaalsContact O-N 3.13Å; E116-Y120 VanDerWaalsContact O-CD2 3.32Å; E116-Y120 WeakPolarHBondContact O-CD2 3.21Å |
| 117 | E | 65.5 | Low | 61.6 | Low | 113 Ų | 113 | 87.4 Ų | 87.4 | 53% | 0.528 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -81 | -40.5 | -177.7 | -162.1 | -167.5 | 139.4 | 0 | 0 | 111.2 | D114 M119 K121 | D114-E117 PolarHBondContact O-N 3.42Å; E117-M119 VanDerWaalsContact C-N 3.33Å; E117-M119 PolarHBondContact O-N 2.79Å; E117-K121 WeakPolarHBondContact OE1-CE 3.37Å; E117-K121 IonicContact OE1-NZ 2.73Å; E117-K121 PolarHBondContact OE1-NZ 3.04Å |
| 118 | L | 60.2 | Low | 62.1 | Low | 21 Ų | 21 | 84.6 Ų | 84.6 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.4 | -25.9 | -178.9 | -97.3 | 70 | 0 | 0 | 0 | 113 | Q112 D114 Y120 K121 D125 C126 P128 V129 | Q112-L118 WeakPolarHBondContact O-CD2 3.5Å; D114-L118 PolarHBondContact O-N 3.46Å; L118-Y120 PolarHBondContact O-N 2.96Å; L118-K121 PolarHBondContact O-N 3.38Å; L118-K121 VanDerWaalsContact O-N 3.16Å; L118-D125 WeakPolarHBondContact CD2-O 3.34Å; L118-D125 VanDerWaalsContact CG-O 3.3Å; L118-D125 WeakPolarHBondContact CG-O 3.35Å; L118-C126 WeakPolarHBondContact O-CA 3.05Å; L118-P128 HydrophobicContact CD2-CB 3.84Å; L118-P128 HydrophobicContact CD2-CG 3.88Å; L118-V129 HydrophobicContact CB-CG2 3.36Å; L118-V129 HydrophobicContact CD2-CG2 4.09Å; L118-V129 HydrophobicContact CG-CG2 4.39Å |
| 119 | M | 59.6 | Low | 62.6 | Low | 76 Ų | 76 | 77.6 Ų | 77.6 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.7 | -176.3 | -169.8 | 177.8 | 67 | 0 | 0 | 113.3 | L72 E115 E117 | L72-M119 HydrophobicContact CD2-CG 3.87Å; L72-M119 HydrophobicContact CD2-SD 4.17Å; E115-M119 WeakPolarHBondContact O-CB 3.33Å; E115-M119 PolarHBondContact O-N 2Å; E117-M119 VanDerWaalsContact C-N 3.33Å; E117-M119 PolarHBondContact O-N 2.79Å |
| 120 | Y | 57.6 | Low | 62.8 | Low | 178 Ų | 178 | 77.4 Ų | 77.4 | 70% | 0.698 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -3.7 | 179.8 | -61.2 | -76.1 | 0 | 0 | 0 | 113.8 | E116 L118 | E116-Y120 VanDerWaalsContact O-CD2 3.32Å; E116-Y120 WeakPolarHBondContact O-CD2 3.21Å; L118-Y120 PolarHBondContact O-N 2.96Å |
| 121 | K | 58.8 | Low | 63.1 | Low | 70 Ų | 70 | 78.4 Ų | 78.4 | 30% | 0.304 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -81.1 | 146.3 | -179.5 | -68.6 | -176.8 | -178.6 | 171.3 | 0 | 111 | E117 L118 D125 C126 | E117-K121 WeakPolarHBondContact OE1-CE 3.37Å; E117-K121 IonicContact OE1-NZ 2.73Å; E117-K121 PolarHBondContact OE1-NZ 3.04Å; L118-K121 PolarHBondContact O-N 3.38Å; L118-K121 VanDerWaalsContact O-N 3.16Å; K121-D125 HydrophobicContact CB-CB 3.67Å; K121-D125 HydrophobicContact CD-CB 4.04Å; K121-D125 HydrophobicContact CG-CB 4.47Å; K121-C126 WeakPolarHBondContact O-CB 3.33Å |
| 122 | P | 54.7 | Low | 63.5 | Low | 91 Ų | 91 | 73.2 Ų | 73.2 | 59% | 0.591 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 162.7 | 175.7 | 28.7 | -33.7 | 0 | 0 | 0 | 111.3 | D125 | P122-D125 PolarHBondContact O-N 3.02Š|
| 123 | F | 52.2 | Low | 63.9 | Low | 93 Ų | 93 | 70.2 Ų | 70.2 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 135.5 | 170.6 | -178.8 | -88.3 | 0 | 0 | 0 | 110.2 | C73 C127 | C73-F123 HydrophobicContact CB-CD2 4.46Å; F123-C127 WeakPolarHBondContact CE2-SG 3.37Å |
| 124 | P | 61.7 | Low | 64.2 | Low | 77 Ų | 77 | 73 Ų | 73 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -96.3 | 10 | 10.3 | 38 | -36 | 0 | 0 | 0 | 115.3 | C127 | P124-C127 WeakPolarHBondContact O-CB 3.45Å; P124-C127 PolarHBondContact O-N 3.39Å |
| 125 | D | 67.7 | Low | 64.3 | Low | 87 Ų | 87 | 71.8 Ų | 71.8 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -24.4 | -169.2 | -65.8 | -23.1 | 0 | 0 | 0 | 113.5 | L118 K121 P122 C127 P128 | L118-D125 WeakPolarHBondContact CD2-O 3.34Å; L118-D125 VanDerWaalsContact CG-O 3.3Å; L118-D125 WeakPolarHBondContact CG-O 3.35Å; K121-D125 HydrophobicContact CB-CB 3.67Å; K121-D125 HydrophobicContact CD-CB 4.04Å; K121-D125 HydrophobicContact CG-CB 4.47Å; P122-D125 PolarHBondContact O-N 3.02Å; D125-C127 PolarHBondContact O-N 3.39Å; D125-P128 WeakPolarHBondContact O-CD 3.42Å |
| 126 | C | 67.1 | Low | 64.2 | Low | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.02 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.9 | 175.4 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | C73 L118 K121 V129 Y130 | C73-C126 WeakPolarHBondContact CA-SG 3.46Å; C73-C126 HydrophobicContact CB-CB 4.27Å; C73-C126 WeakPolarHBondContact CB-SG 3.45Å; C73-C126 WeakPolarHBondContact SG-CB 3.5Å; C73-C126 PolarHBondContact SG-O 3.43Å; C73-C126 VanDerWaalsContact SG-O 3.35Å; C73-C126 CovalentContact SG-SG 2.03Å; C73-C126 PolarHBondContact SG-SG 2.89Å; L118-C126 WeakPolarHBondContact O-CA 3.05Å; K121-C126 WeakPolarHBondContact O-CB 3.33Å; C126-V129 WeakPolarHBondContact O-CB 3.33Å; C126-V129 PolarHBondContact O-N 3.16Å; C126-Y130 PolarHBondContact O-N 3.28Å |
| 127 | C | 69.5 | Low | 64 | Low | 3 Ų | 3 | 72.1 Ų | 72.1 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -78 | -31.8 | -159.4 | -134.9 | 0 | 0 | 0 | 0 | 112.1 | C73 C102 I105 F123 P124 D125 V129 Y130 C131 | C73-C127 VanDerWaalsContact SG-CA 3.52Å; C73-C127 PolarHBondContact SG-N 2.99Å; C73-C127 VanDerWaalsContact SG-N 3.39Å; C102-C127 WeakPolarHBondContact CA-SG 3.45Å; C102-C127 HydrophobicContact CB-CB 4.03Å; C102-C127 WeakPolarHBondContact CB-SG 3.45Å; C102-C127 WeakPolarHBondContact SG-CA 3.02Å; C102-C127 WeakPolarHBondContact SG-CB 3.4Å; C102-C127 CovalentContact SG-SG 2.02Å; C102-C127 PolarHBondContact SG-SG 3.25Å; I105-C127 VanDerWaalsContact CD1-C 3.45Å; I105-C127 HydrophobicContact CD1-CB 3.18Å; I105-C127 WeakPolarHBondContact CD1-SG 3.15Å; F123-C127 WeakPolarHBondContact CE2-SG 3.37Å; P124-C127 WeakPolarHBondContact O-CB 3.45Å; P124-C127 PolarHBondContact O-N 3.39Å; D125-C127 PolarHBondContact O-N 3.39Å; C127-V129 PolarHBondContact O-N 3.14Å; C127-Y130 PolarHBondContact O-N 3.02Å; C127-C131 PolarHBondContact O-N 2.84Å |
| 128 | P | 71.4 | Confident | 63.8 | Low | 21 Ų | 21 | 72.8 Ų | 72.8 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.1 | -41.7 | 163.5 | -27.7 | 37.3 | 0 | 0 | 0 | 114.1 | Q109 L118 D125 C131 N132 | Q109-P128 WeakPolarHBondContact O-CB 3.47Å; L118-P128 HydrophobicContact CD2-CB 3.84Å; L118-P128 HydrophobicContact CD2-CG 3.88Å; D125-P128 WeakPolarHBondContact O-CD 3.42Å; P128-C131 WeakPolarHBondContact O-CB 3.45Å; P128-C131 PolarHBondContact O-N 3.03Å; P128-N132 PolarHBondContact O-N 3.01Å |
| 129 | V | 69.3 | Low | 64 | Low | 17 Ų | 17 | 79.1 Ų | 79.1 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | L118 C126 C127 C131 N132 L133 | L118-V129 HydrophobicContact CB-CG2 3.36Å; L118-V129 HydrophobicContact CD2-CG2 4.09Å; L118-V129 HydrophobicContact CG-CG2 4.39Å; C126-V129 WeakPolarHBondContact O-CB 3.33Å; C126-V129 PolarHBondContact O-N 3.16Å; C127-V129 PolarHBondContact O-N 3.14Å; V129-C131 VanDerWaalsContact C-N 3.32Å; V129-C131 PolarHBondContact O-N 3.42Å; V129-N132 PolarHBondContact O-N 3.09Å; V129-L133 WeakPolarHBondContact O-CB 3.44Å; V129-L133 PolarHBondContact O-N 2.66Å |
| 130 | Y | 65.7 | Low | 64 | Low | 80 Ų | 80 | 80.3 Ų | 80.3 | 31% | 0.314 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 174.1 | -178.8 | -96.3 | 0 | 0 | 0 | 111.7 | L72 C102 C126 C127 L133 K134 | L72-Y130 HydrophobicContact CB-CD2 4.48Å; C102-Y130 HydrophobicContact CB-CD1 3.75Å; C102-Y130 HydrophobicContact CB-CE1 4.41Å; C102-Y130 HydrophobicContact CB-CG 4.45Å; C126-Y130 PolarHBondContact O-N 3.28Å; C127-Y130 PolarHBondContact O-N 3.02Å; Y130-L133 PolarHBondContact O-N 3.25Å; Y130-K134 HydrophobicContact CE1-CD 4.32Å; Y130-K134 WeakPolarHBondContact O-CB 3.49Å; Y130-K134 PolarHBondContact O-N 3.42Å |
| 131 | C | 69.9 | Low | 64.3 | Low | 23 Ų | 23 | 79 Ų | 79 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.6 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | I105 C110 C127 P128 V129 L133 K134 R135 | I105-C131 HydrophobicContact CG2-CB 4.36Å; C110-C131 HydrophobicContact CB-CB 3.64Å; C110-C131 WeakPolarHBondContact CB-SG 3.33Å; C110-C131 WeakPolarHBondContact SG-CB 3.26Å; C110-C131 CovalentContact SG-SG 2.01Å; C110-C131 PolarHBondContact SG-SG 2.89Å; C127-C131 PolarHBondContact O-N 2.84Å; P128-C131 WeakPolarHBondContact O-CB 3.45Å; P128-C131 PolarHBondContact O-N 3.03Å; V129-C131 VanDerWaalsContact C-N 3.32Å; V129-C131 PolarHBondContact O-N 3.42Å; C131-L133 PolarHBondContact O-N 3.43Å; C131-K134 WeakPolarHBondContact O-CB 3.45Å; C131-K134 PolarHBondContact O-N 3.47Å; C131-R135 PolarHBondContact O-N 3.45Å |
| 132 | N | 69.4 | Low | 64.8 | Low | 36 Ų | 36 | 79.4 Ų | 79.4 | 19% | 0.193 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.3 | -40.8 | -178.5 | -131.6 | -13.9 | 0 | 0 | 0 | 111.8 | C110 P128 V129 R135 R136 | C110-N132 PolarHBondContact O-ND2 3.39Å; P128-N132 PolarHBondContact O-N 3.01Å; V129-N132 PolarHBondContact O-N 3.09Å; N132-R135 WeakPolarHBondContact O-CB 3.44Å; N132-R135 PolarHBondContact O-N 3.13Å; N132-R136 PolarHBondContact O-N 2.88Å |
| 133 | L | 68.2 | Low | 65.2 | Low | 75 Ų | 75 | 80.4 Ų | 80.4 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 173.4 | -171.2 | 70.7 | 0 | 0 | 0 | 111.8 | L72 V129 Y130 C131 R135 R136 M137 | L72-L133 HydrophobicContact CD1-CD2 3.3Å; V129-L133 WeakPolarHBondContact O-CB 3.44Å; V129-L133 PolarHBondContact O-N 2.66Å; Y130-L133 PolarHBondContact O-N 3.25Å; C131-L133 PolarHBondContact O-N 3.43Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.26Å; L133-R136 PolarHBondContact O-N 3.24Å; L133-M137 WeakPolarHBondContact O-CB 3.48Å; L133-M137 WeakPolarHBondContact O-CG 3.36Å; L133-M137 PolarHBondContact O-N 3.4Å |
| 134 | K | 66.3 | Low | 65.9 | Low | 106 Ų | 106 | 82.1 Ų | 82.1 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 175.3 | -172.8 | 177.5 | 179.5 | -176.6 | 0 | 110.8 | Y130 C131 M137 Q138 | Y130-K134 HydrophobicContact CE1-CD 4.32Å; Y130-K134 WeakPolarHBondContact O-CB 3.49Å; Y130-K134 PolarHBondContact O-N 3.42Å; C131-K134 WeakPolarHBondContact O-CB 3.45Å; C131-K134 PolarHBondContact O-N 3.47Å; K134-M137 PolarHBondContact O-N 3.17Å; K134-Q138 WeakPolarHBondContact O-CB 3.3Å; K134-Q138 PolarHBondContact O-N 3.42Å |
| 135 | R | 67 | Low | 66.1 | Low | 97 Ų | 97 | 81.3 Ų | 81.3 | 37% | 0.366 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.2 | -159.6 | 178.4 | -166 | -173.6 | 4.8 | 111.9 | C131 N132 L133 Q138 R139 | C131-R135 PolarHBondContact O-N 3.45Å; N132-R135 WeakPolarHBondContact O-CB 3.44Å; N132-R135 PolarHBondContact O-N 3.13Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.26Å; R135-Q138 PolarHBondContact O-N 3.16Å; R135-R139 WeakPolarHBondContact O-CG 3.4Å; R135-R139 PolarHBondContact O-N 3.13Å |
| 136 | R | 63.1 | Low | 66.3 | Low | 133 Ų | 133 | 85.7 Ų | 85.7 | 50% | 0.502 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 173.6 | -89.3 | -176.8 | 179.1 | 148.8 | 0.9 | 111.7 | E115 N132 L133 Q138 R139 L140 | E115-R136 IonicContact OE1-CZ 3.87Å; E115-R136 IonicContact OE1-NH1 3.9Å; E115-R136 PolarHBondContact OE1-NH1 3.4Å; E115-R136 IonicContact OE2-CZ 3.29Å; E115-R136 IonicContact OE2-NH1 3.03Å; E115-R136 PolarHBondContact OE2-NH1 2.96Å; E115-R136 IonicContact OE2-NH2 3.95Å; N132-R136 PolarHBondContact O-N 2.88Å; L133-R136 PolarHBondContact O-N 3.24Å; R136-Q138 VanDerWaalsContact C-N 3.32Å; R136-Q138 PolarHBondContact O-N 3.49Å; R136-R139 PolarHBondContact O-N 3.43Å; R136-L140 PolarHBondContact O-N 3.02Å |
| 137 | M | 59 | Low | 66.5 | Low | 115 Ų | 115 | 90.5 Ų | 90.5 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 179.4 | -76 | -63.8 | -74.2 | 0 | 0 | 112.3 | L133 K134 L140 R141 | L133-M137 WeakPolarHBondContact O-CB 3.48Å; L133-M137 WeakPolarHBondContact O-CG 3.36Å; L133-M137 PolarHBondContact O-N 3.4Å; K134-M137 PolarHBondContact O-N 3.17Å; M137-L140 PolarHBondContact O-N 2.82Å; M137-L140 HydrophobicContact SD-CD1 4.43Å; M137-R141 WeakPolarHBondContact O-CB 3.3Å; M137-R141 PolarHBondContact O-N 2.77Å |
| 138 | Q | 62.4 | Low | 66.7 | Low | 126 Ų | 126 | 98.9 Ų | 98.9 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.9 | -38.8 | 176.8 | -162.2 | 164.8 | -0.6 | 0 | 0 | 112 | K134 R135 R136 R141 T142 | K134-Q138 WeakPolarHBondContact O-CB 3.3Å; K134-Q138 PolarHBondContact O-N 3.42Å; R135-Q138 PolarHBondContact O-N 3.16Å; R136-Q138 VanDerWaalsContact C-N 3.32Å; R136-Q138 PolarHBondContact O-N 3.49Å; Q138-R141 PolarHBondContact O-N 2.93Å; Q138-T142 WeakPolarHBondContact O-CG2 3.37Å; Q138-T142 PolarHBondContact O-N 3.29Å; Q138-T142 PolarHBondContact O-OG1 3.47Å |
| 139 | R | 63.1 | Low | 66.9 | Low | 155 Ų | 155 | 101.1 Ų | 101.1 | 59% | 0.585 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 171 | -71.2 | 178.7 | -175 | 177.9 | 3.9 | 111.9 | R135 R136 T142 M143 | R135-R139 WeakPolarHBondContact O-CG 3.4Å; R135-R139 PolarHBondContact O-N 3.13Å; R136-R139 PolarHBondContact O-N 3.43Å; R139-T142 WeakPolarHBondContact CA-OG1 3.4Å; R139-T142 PolarHBondContact O-N 3.48Å; R139-T142 PolarHBondContact O-OG1 3.02Å; R139-M143 WeakPolarHBondContact O-CB 3.5Å; R139-M143 PolarHBondContact O-N 2.95Å |
| 140 | L | 60.8 | Low | 67.3 | Low | 100 Ų | 100 | 105.3 Ų | 105.3 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.9 | -79.9 | 163 | 0 | 0 | 0 | 111.5 | R136 M137 T142 M143 H144 | R136-L140 PolarHBondContact O-N 3.02Å; M137-L140 PolarHBondContact O-N 2.82Å; M137-L140 HydrophobicContact SD-CD1 4.43Å; L140-T142 PolarHBondContact O-N 3.38Å; L140-M143 PolarHBondContact O-N 3.25Å; L140-H144 WeakPolarHBondContact O-CB 3.34Å; L140-H144 PolarHBondContact O-N 2.94Å |
| 141 | R | 62.4 | Low | 67.5 | Low | 152 Ų | 152 | 108.5 Ų | 108.5 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 179 | -166.8 | 175.8 | -175.6 | -176.5 | -0.9 | 111.8 | M137 Q138 H144 F145 | M137-R141 WeakPolarHBondContact O-CB 3.3Å; M137-R141 PolarHBondContact O-N 2.77Å; Q138-R141 PolarHBondContact O-N 2.93Å; R141-H144 PolarHBondContact O-N 2.97Å; R141-F145 WeakPolarHBondContact O-CB 3.48Å; R141-F145 PolarHBondContact O-N 3.44Å |
| 142 | T | 70.3 | Confident | 67.7 | Low | 77 Ų | 77 | 111.7 Ų | 111.7 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 176.7 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | Q138 R139 L140 R146 | Q138-T142 WeakPolarHBondContact O-CG2 3.37Å; Q138-T142 PolarHBondContact O-N 3.29Å; Q138-T142 PolarHBondContact O-OG1 3.47Å; R139-T142 WeakPolarHBondContact CA-OG1 3.4Å; R139-T142 PolarHBondContact O-N 3.48Å; R139-T142 PolarHBondContact O-OG1 3.02Å; L140-T142 PolarHBondContact O-N 3.38Å; T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-N 2.95Å |
| 143 | M | 63.2 | Low | 68 | Low | 112 Ų | 112 | 117 Ų | 117 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.7 | -45.4 | 174.9 | -162.3 | -83.6 | -86 | 0 | 0 | 111.6 | R139 L140 F145 R146 H147 | R139-M143 WeakPolarHBondContact O-CB 3.5Å; R139-M143 PolarHBondContact O-N 2.95Å; L140-M143 PolarHBondContact O-N 3.25Å; M143-F145 VanDerWaalsContact C-N 3.29Å; M143-F145 PolarHBondContact O-N 2.92Å; M143-R146 WeakPolarHBondContact O-CB 3.49Å; M143-R146 PolarHBondContact O-N 3.41Å; M143-H147 WeakPolarHBondContact O-CB 3.46Å; M143-H147 PolarHBondContact O-N 3.04Å |
| 144 | H | 66.4 | Low | 68.2 | Low | 130 Ų | 130 | 119.6 Ų | 119.6 | 60% | 0.602 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.9 | -38.4 | 179 | -144.1 | -16.7 | 0 | 0 | 0 | 111.9 | L140 R141 H147 R148 | L140-H144 WeakPolarHBondContact O-CB 3.34Å; L140-H144 PolarHBondContact O-N 2.94Å; R141-H144 PolarHBondContact O-N 2.97Å; H144-H147 PolarHBondContact O-N 3Å; H144-R148 PolarHBondContact O-N 3.02Å |
| 145 | F | 66.3 | Low | 67.9 | Low | 59 Ų | 59 | 119.3 Ų | 119.3 | 26% | 0.259 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -49.9 | 172.2 | -179.1 | -95 | 0 | 0 | 0 | 111.7 | R141 M143 H147 R148 L149 L175 F179 | R141-F145 WeakPolarHBondContact O-CB 3.48Å; R141-F145 PolarHBondContact O-N 3.44Å; M143-F145 VanDerWaalsContact C-N 3.29Å; M143-F145 PolarHBondContact O-N 2.92Å; F145-H147 VanDerWaalsContact C-N 3.26Å; F145-H147 PolarHBondContact O-N 3.48Å; F145-R148 PolarHBondContact O-N 3.05Å; F145-L149 HydrophobicContact CE1-CD1 4.28Å; F145-L149 HydrophobicContact CZ-CD1 4.28Å; F145-L149 PolarHBondContact O-N 3.44Å; F145-L175 HydrophobicContact CE2-CD2 3.88Å; F145-F179 HydrophobicContact CE1-CD2 4.39Å; F145-F179 HydrophobicContact CE1-CE2 4.08Å; F145-F179 HydrophobicContact CZ-CD2 4.22Å; F145-F179 HydrophobicContact CZ-CE2 4.38Å |
| 146 | R | 71.4 | Confident | 67.4 | Low | 179 Ų | 179 | 117.1 Ų | 117.1 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.1 | -42.4 | 174.8 | -78.1 | 179.6 | 178.1 | 174.7 | 0.3 | 111.6 | T142 M143 L149 L150 | T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-N 2.95Å; M143-R146 WeakPolarHBondContact O-CB 3.49Å; M143-R146 PolarHBondContact O-N 3.41Å; R146-L149 PolarHBondContact O-N 3.49Å; R146-L150 WeakPolarHBondContact O-CB 3.28Å; R146-L150 VanDerWaalsContact O-CG 3.29Å; R146-L150 WeakPolarHBondContact O-CG 3.48Å; R146-L150 PolarHBondContact O-N 3.46Å |
| 147 | H | 71.9 | Confident | 67 | Low | 105 Ų | 105 | 114.9 Ų | 114.9 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 178.9 | -162.8 | -76.4 | 0 | 0 | 0 | 112.3 | M143 H144 F145 L150 R151 | M143-H147 WeakPolarHBondContact O-CB 3.46Å; M143-H147 PolarHBondContact O-N 3.04Å; H144-H147 PolarHBondContact O-N 3Å; F145-H147 VanDerWaalsContact C-N 3.26Å; F145-H147 PolarHBondContact O-N 3.48Å; H147-L150 PolarHBondContact O-N 2.99Å; H147-R151 PolarHBondContact O-N 3.39Å |
| 148 | R | 72.6 | Confident | 66.6 | Low | 179 Ų | 179 | 113.6 Ų | 113.6 | 68% | 0.675 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.6 | -43.3 | 172.4 | -87.5 | -172.3 | 171.5 | -171.3 | -2.3 | 112.1 | H144 F145 L150 R151 N152 | H144-R148 PolarHBondContact O-N 3.02Å; F145-R148 PolarHBondContact O-N 3.05Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 2.95Å; R148-R151 PolarHBondContact O-N 3.07Å; R148-N152 PolarHBondContact O-N 3.28Å |
| 149 | L | 76 | Confident | 65.8 | Low | 67 Ų | 67 | 110.2 Ų | 110.2 | 35% | 0.351 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 178.1 | -160.9 | 96.4 | 0 | 0 | 0 | 111.5 | F145 R146 K153 | F145-L149 HydrophobicContact CE1-CD1 4.28Å; F145-L149 HydrophobicContact CZ-CD1 4.28Å; F145-L149 PolarHBondContact O-N 3.44Å; R146-L149 PolarHBondContact O-N 3.49Å; L149-K153 PolarHBondContact O-N 3.49Å; L149-K153 VanDerWaalsContact O-N 3.15Å |
| 150 | L | 77 | Confident | 65 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 55% | 0.55 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67 | -41.4 | 176.9 | -71 | 170.6 | 0 | 0 | 0 | 112 | R146 H147 R148 K153 Q154 | R146-L150 WeakPolarHBondContact O-CB 3.28Å; R146-L150 VanDerWaalsContact O-CG 3.29Å; R146-L150 WeakPolarHBondContact O-CG 3.48Å; R146-L150 PolarHBondContact O-N 3.46Å; H147-L150 PolarHBondContact O-N 2.99Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 2.95Å; L150-K153 PolarHBondContact O-N 3Å; L150-Q154 PolarHBondContact O-N 3.35Å |
| 151 | R | 71.6 | Confident | 64.1 | Low | 147 Ų | 147 | 108.3 Ų | 108.3 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.5 | -48.3 | 173.2 | -99.6 | -171.2 | 76 | 169.8 | 4.9 | 112.3 | H147 R148 K153 Q154 D155 | H147-R151 PolarHBondContact O-N 3.39Å; R148-R151 PolarHBondContact O-N 3.07Å; R151-K153 PolarHBondContact O-N 3.42Å; R151-Q154 PolarHBondContact O-N 3.47Å; R151-D155 PolarHBondContact O-N 2.99Å |
| 152 | N | 73.9 | Confident | 62.6 | Low | 91 Ų | 91 | 104.4 Ų | 104.4 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.5 | -34.7 | 178.8 | -77.7 | 1.2 | 0 | 0 | 0 | 112.2 | R148 G156 | R148-N152 PolarHBondContact O-N 3.28Å; N152-G156 PolarHBondContact O-N 3.41Å |
| 153 | K | 75.3 | Confident | 60.8 | Low | 146 Ų | 146 | 104.7 Ų | 104.7 | 64% | 0.635 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.3 | -36.9 | 173.6 | -78.8 | -175.3 | 173.7 | -178.9 | 0 | 112.8 | L149 L150 R151 S157 | L149-K153 PolarHBondContact O-N 3.49Å; L149-K153 VanDerWaalsContact O-N 3.15Å; L150-K153 PolarHBondContact O-N 3Å; R151-K153 PolarHBondContact O-N 3.42Å; K153-S157 WeakPolarHBondContact O-CB 3.34Å; K153-S157 PolarHBondContact O-N 3.44Å |
| 154 | Q | 71.8 | Confident | 59.4 | Low | 130 Ų | 130 | 102.8 Ų | 102.8 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.8 | -45 | 175.8 | -77.6 | -179.6 | -32.6 | 0 | 0 | 111.7 | L150 R151 G156 S157 A158 | L150-Q154 PolarHBondContact O-N 3.35Å; R151-Q154 PolarHBondContact O-N 3.47Å; Q154-G156 VanDerWaalsContact C-N 3.28Å; Q154-G156 PolarHBondContact O-N 3.01Å; Q154-S157 PolarHBondContact O-N 2.98Å; Q154-S157 PolarHBondContact O-OG 2.93Å; Q154-A158 PolarHBondContact O-N 2.93Å |
| 155 | D | 59.8 | Low | 58 | Low | 101 Ų | 101 | 102.8 Ų | 102.8 | 54% | 0.54 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.6 | -34.9 | 177.2 | -66.6 | -30.8 | 0 | 0 | 0 | 111.4 | R151 | R151-D155 PolarHBondContact O-N 2.99Å |
| 156 | G | 57.1 | Low | 56.5 | Low | 51 Ų | 51 | 104.9 Ų | 104.9 | 53% | 0.526 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71.3 | -27.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N152 Q154 | N152-G156 PolarHBondContact O-N 3.41Å; Q154-G156 VanDerWaalsContact C-N 3.28Å; Q154-G156 PolarHBondContact O-N 3.01Å |
| 157 | S | 54.6 | Low | 54.8 | Low | 86 Ų | 86 | 100.5 Ų | 100.5 | 60% | 0.601 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -82.8 | -26.7 | 179 | 76.6 | 0 | 0 | 0 | 0 | 113.4 | K153 Q154 G159 | K153-S157 WeakPolarHBondContact O-CB 3.34Å; K153-S157 PolarHBondContact O-N 3.44Å; Q154-S157 PolarHBondContact O-N 2.98Å; Q154-S157 PolarHBondContact O-OG 2.93Å; S157-G159 VanDerWaalsContact C-N 3.26Å; S157-G159 PolarHBondContact O-N 3.44Å |
| 158 | A | 50.3 | Low | 53 | Low | 88 Ų | 88 | 98.9 Ų | 98.9 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -11.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q154 | Q154-A158 PolarHBondContact O-N 2.93Š|
| 159 | G | 45.8 | Very low | 51.4 | Low | 55 Ų | 55 | 97.9 Ų | 97.9 | 57% | 0.567 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -0.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | S157 A161 | S157-G159 VanDerWaalsContact C-N 3.26Å; S157-G159 PolarHBondContact O-N 3.44Å; G159-A161 PolarHBondContact O-N 3.31Å |
| 160 | S | 46.8 | Very low | 49.6 | Very low | 113 Ų | 113 | 96.9 Ų | 96.9 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | trans | -79.3 | 21.5 | -176.5 | -73.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 161 | A | 41.3 | Very low | 48.3 | Very low | 102 Ų | 102 | 96.9 Ų | 96.9 | 84% | 0.843 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -123.7 | 71.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G159 | G159-A161 PolarHBondContact O-N 3.31Š|
| 162 | G | 31.5 | Very low | 47.1 | Very low | 70 Ų | 70 | 95.5 Ų | 95.5 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 145.6 | 96.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 163 | G | 33 | Very low | 45.8 | Very low | 82 Ų | 82 | 96.9 Ų | 96.9 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | trans | 90 | 106.5 | 137.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 164 | G | 33.5 | Very low | 44.6 | Very low | 73 Ų | 73 | 94.1 Ų | 94.1 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | 83.6 | 94.1 | 119.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 165 | S | 36.3 | Very low | 43.3 | Very low | 129 Ų | 129 | 90.3 Ų | 90.3 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | trans | 63.2 | 146.9 | 135.9 | -62.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 166 | A | 34.7 | Very low | 42.7 | Very low | 103 Ų | 103 | 90.8 Ų | 90.8 | 85% | 0.851 | 69% | 0.69 | S | S | * | * | trans | 90.5 | 115.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 167 | G | 36.2 | Very low | 42.3 | Very low | 87 Ų | 87 | 91.7 Ų | 91.7 | 90% | 0.897 | 69% | 0.689 | S | S | * | * | trans | -68.2 | 167.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 168 | G | 33.7 | Very low | 41.8 | Very low | 71 Ų | 71 | 92.2 Ų | 92.2 | 73% | 0.732 | 68% | 0.681 | S | S | * | * | trans | 151.4 | 95.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G170 | G168-G170 PolarHBondContact O-N 3.11Š| ||
| 169 | D | 38.9 | Very low | 41.4 | Very low | 158 Ų | 158 | 93.9 Ų | 93.9 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | trans | 28.3 | 87.3 | 157.6 | -59.4 | -34.9 | 0 | 0 | 0 | 116.9 | ||||
| 170 | G | 37.6 | Very low | 41.4 | Very low | 46 Ų | 46 | 96.2 Ų | 96.2 | 47% | 0.474 | 68% | 0.675 | S | S | . | * | trans | -60.9 | 154 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | G168 N172 | G168-G170 PolarHBondContact O-N 3.11Å; G170-N172 PolarHBondContact O-N 3.39Å | ||
| 171 | P | 51.4 | Low | 41.4 | Very low | 105 Ų | 105 | 100.3 Ų | 100.3 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 5.9 | -178.2 | 28.7 | -35.8 | 0 | 0 | 0 | 114.7 | N173 | P171-N173 PolarHBondContact O-N 3.48Š|
| 172 | N | 46.7 | Very low | 41.5 | Very low | 119 Ų | 119 | 100 Ų | 100 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -24.9 | -176.6 | -69.7 | -16.7 | 0 | 0 | 0 | 113.2 | G170 | G170-N172 PolarHBondContact O-N 3.39Š|
| 173 | N | 45.9 | Very low | 42 | Very low | 119 Ų | 119 | 102.7 Ų | 102.7 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.1 | -25.2 | -177.9 | -77 | -7.1 | 0 | 0 | 0 | 113.7 | P171 L175 S177 | P171-N173 PolarHBondContact O-N 3.48Å; N173-L175 VanDerWaalsContact C-N 3.32Å; N173-L175 PolarHBondContact O-N 3.34Å; N173-S177 PolarHBondContact O-OG 3.04Å |
| 174 | S | 50 | Low | 42.2 | Very low | 89 Ų | 89 | 112.2 Ų | 112.2 | 62% | 0.622 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75 | -19.8 | 179.8 | -171.9 | 0 | 0 | 0 | 0 | 113.6 | S177 | S174-S177 PolarHBondContact O-OG 2.98Å |
| 175 | L | 44.6 | Very low | 42.6 | Very low | 49 Ų | 49 | 114.2 Ų | 114.2 | 26% | 0.257 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -87.7 | -30.4 | 179.3 | -75.5 | 166.8 | 0 | 0 | 0 | 112.3 | F145 N173 E178 | F145-L175 HydrophobicContact CE2-CD2 3.88Å; N173-L175 VanDerWaalsContact C-N 3.32Å; N173-L175 PolarHBondContact O-N 3.34Å; L175-E178 PolarHBondContact O-N 3.47Å |
| 176 | L | 46.7 | Very low | 42.9 | Very low | 112 Ų | 112 | 113.4 Ų | 113.4 | 59% | 0.586 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.3 | -34.5 | 175.9 | -91.4 | 152.1 | 0 | 0 | 0 | 112.2 | E178 F179 V180 | L176-E178 PolarHBondContact O-N 3.3Å; L176-F179 WeakPolarHBondContact O-CB 3.49Å; L176-F179 PolarHBondContact O-N 3.49Å; L176-F179 VanDerWaalsContact O-N 3.14Å; L176-V180 PolarHBondContact O-N 3.44Å |
| 177 | S | 48.8 | Very low | 43.4 | Very low | 70 Ų | 70 | 113.9 Ų | 113.9 | 49% | 0.49 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64.1 | -27 | 173.3 | 45.1 | 0 | 0 | 0 | 0 | 113.3 | N173 S174 F179 | N173-S177 PolarHBondContact O-OG 3.04Å; S174-S177 PolarHBondContact O-OG 2.98Å; S177-F179 VanDerWaalsContact C-N 3.32Å |
| 178 | E | 44 | Very low | 43.8 | Very low | 97 Ų | 97 | 115.5 Ų | 115.5 | 45% | 0.453 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -78.9 | -17.7 | 176.7 | -142.5 | 178.3 | -178.1 | 0 | 0 | 112.7 | L175 L176 N182 | L175-E178 PolarHBondContact O-N 3.47Å; L176-E178 PolarHBondContact O-N 3.3Å; E178-N182 PolarHBondContact O-ND2 3.26Å; E178-N182 VanDerWaalsContact O-ND2 3.09Å |
| 179 | F | 42.2 | Very low | 44.4 | Very low | 123 Ų | 123 | 118.3 Ų | 118.3 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -82.8 | -31.3 | 179.6 | -137.7 | -88.2 | 0 | 0 | 0 | 112.7 | F145 L176 S177 | F145-F179 HydrophobicContact CE1-CD2 4.39Å; F145-F179 HydrophobicContact CE1-CE2 4.08Å; F145-F179 HydrophobicContact CZ-CD2 4.22Å; F145-F179 HydrophobicContact CZ-CE2 4.38Å; L176-F179 WeakPolarHBondContact O-CB 3.49Å; L176-F179 PolarHBondContact O-N 3.49Å; L176-F179 VanDerWaalsContact O-N 3.14Å; S177-F179 VanDerWaalsContact C-N 3.32Å |
| 180 | V | 46.6 | Very low | 44.8 | Very low | 103 Ų | 103 | 115.7 Ų | 115.7 | 62% | 0.624 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79 | -30.9 | 179.5 | 180 | 0 | 0 | 0 | 0 | 111.6 | L176 N182 | L176-V180 PolarHBondContact O-N 3.44Å; V180-N182 PolarHBondContact O-N 3.21Å |
| 181 | Y | 46.1 | Very low | 45.3 | Very low | 200 Ų | 200 | 120.6 Ų | 120.6 | 78% | 0.784 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -8.4 | -177.7 | -114.3 | -81.6 | 0 | 0 | 0 | 115.5 | ||
| 182 | N | 43.1 | Very low | 44.8 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.3 | 6.6 | -178.9 | -77.8 | -63.2 | 0 | 0 | 0 | 113.9 | E178 V180 | E178-N182 PolarHBondContact O-ND2 3.26Å; E178-N182 VanDerWaalsContact O-ND2 3.09Å; V180-N182 PolarHBondContact O-N 3.21Å |
| 183 | N | 42 | Very low | 44.7 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | trans | -111.2 | 12.2 | -179.3 | -98.1 | -28.1 | 0 | 0 | 0 | 113.8 | ||||
| 184 | Y | 36.3 | Very low | 44.6 | Very low | 282 Ų | 282 | 122.4 Ų | 122.4 | 100% | 1.106 | 60% | 0.604 | S | S | * | * | trans | -118.8 | 0 | 168 | -83.8 | -86 | 0 | 0 | 0 | 109.4 |
Retrieved 184 of 184 residues in 110.6 ms
(Link to these results)