| 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 | 45.6 | Very low | 53.3 | Low | 242 Ų | 242 | 132.8 Ų | 132.8 | 100% | 1.192 | 68% | 0.684 | S | S | * | * | 0 | 91 | 0 | -74.1 | 165.2 | 172.3 | 0 | 0 | 107.1 | |||||
| 2 | M | 46.5 | Very low | 53.9 | Low | 185 Ų | 185 | 130 Ų | 130 | 91% | 0.911 | 68% | 0.677 | S | S | * | * | trans | -89.4 | 106.9 | 178.8 | -88.1 | 151.4 | 63.2 | 0 | 0 | 107.4 | ||||
| 3 | W | 48.6 | Very low | 54.2 | Low | 236 Ų | 236 | 131.3 Ų | 131.3 | 89% | 0.894 | 67% | 0.674 | S | S | * | * | trans | -76.5 | 122.1 | 160.5 | -91.7 | 42.7 | 0 | 0 | 0 | 107.2 | S5 | W3-S5 PolarHBondContact O-N 3.45Š| ||
| 4 | T | 53.2 | Low | 54.4 | Low | 81 Ų | 81 | 130.4 Ų | 130.4 | 50% | 0.497 | 67% | 0.67 | S | S | . | * | trans | -71.2 | 120.5 | -177.5 | 27.7 | 0 | 0 | 0 | 0 | 109.6 | H6 D7 | T4-H6 PolarHBondContact O-N 3.04Å; T4-D7 PolarHBondContact O-N 3.15Å; T4-D7 PolarHBondContact OG1-OD2 3.1Å | ||
| 5 | S | 54.1 | Low | 54.8 | Low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -54 | -12.3 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 114.6 | W3 D7 | W3-S5 PolarHBondContact O-N 3.45Å; S5-D7 VanDerWaalsContact C-N 3.34Å |
| 6 | H | 53.3 | Low | 55 | Low | 164 Ų | 164 | 119.4 Ų | 119.4 | 76% | 0.759 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.6 | -30.7 | 175 | -143.1 | -110.5 | 0 | 0 | 0 | 112.9 | T4 G10 | T4-H6 PolarHBondContact O-N 3.04Å; H6-G10 PolarHBondContact O-N 3.16Å; H6-G10 VanDerWaalsContact O-N 3.14Å |
| 7 | D | 53.3 | Low | 55.1 | Low | 99 Ų | 99 | 120.2 Ų | 120.2 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -75 | -34.3 | -179.2 | -62.8 | -54.9 | 0 | 0 | 0 | 111.9 | T4 S5 F11 | T4-D7 PolarHBondContact O-N 3.15Å; T4-D7 PolarHBondContact OG1-OD2 3.1Å; S5-D7 VanDerWaalsContact C-N 3.34Å; D7-F11 WeakPolarHBondContact O-CB 3.13Å; D7-F11 PolarHBondContact O-N 2.81Å |
| 8 | T | 55.4 | Low | 55.2 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.6 | -39.9 | 177.5 | -43.7 | 0 | 0 | 0 | 0 | 111.8 | F11 V12 | T8-F11 PolarHBondContact O-N 2.86Å; T8-V12 WeakPolarHBondContact O-CG2 3.44Å; T8-V12 PolarHBondContact O-N 2.76Å; T8-V12 VanDerWaalsContact O-N 3.16Å |
| 9 | V | 58.4 | Low | 55.2 | Low | 80 Ų | 80 | 117.5 Ų | 117.5 | 49% | 0.485 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.9 | -44.8 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | F11 V12 F13 | V9-F11 VanDerWaalsContact C-N 3.29Å; V9-F11 PolarHBondContact O-N 3.14Å; V9-V12 PolarHBondContact O-N 2.97Å; V9-F13 HydrophobicContact CG1-CD2 3.59Å; V9-F13 HydrophobicContact CG1-CE2 3.62Å; V9-F13 VanDerWaalsContact O-CD2 3.29Å; V9-F13 WeakPolarHBondContact O-CD2 3.24Å; V9-F13 PolarHBondContact O-N 2.85Å |
| 10 | G | 59 | Low | 55 | Low | 34 Ų | 34 | 120 Ų | 120 | 35% | 0.351 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -58.1 | -39.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H6 F13 L14 | H6-G10 PolarHBondContact O-N 3.16Å; H6-G10 VanDerWaalsContact O-N 3.14Å; G10-F13 PolarHBondContact O-N 3.01Å; G10-L14 WeakPolarHBondContact O-CB 3.31Å; G10-L14 PolarHBondContact O-N 2.82Å |
| 11 | F | 58.6 | Low | 54.8 | Low | 152 Ų | 152 | 121 Ų | 121 | 67% | 0.667 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.1 | -40.4 | 178 | -161.1 | -94.9 | 0 | 0 | 0 | 113 | D7 T8 V9 L14 A15 | D7-F11 WeakPolarHBondContact O-CB 3.13Å; D7-F11 PolarHBondContact O-N 2.81Å; T8-F11 PolarHBondContact O-N 2.86Å; V9-F11 VanDerWaalsContact C-N 3.29Å; V9-F11 PolarHBondContact O-N 3.14Å; F11-L14 PolarHBondContact O-N 2.76Å; F11-A15 WeakPolarHBondContact O-CB 3.37Å; F11-A15 PolarHBondContact O-N 3.12Å |
| 12 | V | 60.4 | Low | 55 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 60% | 0.6 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.6 | -38.1 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | T8 V9 G16 | T8-V12 WeakPolarHBondContact O-CG2 3.44Å; T8-V12 PolarHBondContact O-N 2.76Å; T8-V12 VanDerWaalsContact O-N 3.16Å; V9-V12 PolarHBondContact O-N 2.97Å; V12-G16 PolarHBondContact O-N 2.82Å |
| 13 | F | 58.3 | Low | 55.2 | Low | 147 Ų | 147 | 110.4 Ų | 110.4 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.7 | -39.9 | 174.5 | -87.2 | -79.3 | 0 | 0 | 0 | 112.6 | V9 G10 G16 F17 | V9-F13 HydrophobicContact CG1-CD2 3.59Å; V9-F13 HydrophobicContact CG1-CE2 3.62Å; V9-F13 VanDerWaalsContact O-CD2 3.29Å; V9-F13 WeakPolarHBondContact O-CD2 3.24Å; V9-F13 PolarHBondContact O-N 2.85Å; G10-F13 PolarHBondContact O-N 3.01Å; F13-G16 PolarHBondContact O-N 3.19Å; F13-F17 WeakPolarHBondContact O-CB 3.25Å; F13-F17 PolarHBondContact O-N 3.45Å |
| 14 | L | 57.7 | Low | 55.5 | Low | 118 Ų | 118 | 103.9 Ų | 103.9 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.4 | -43.2 | 174.4 | -115.6 | 104.3 | 0 | 0 | 0 | 112 | G10 F11 F17 C18 | G10-L14 WeakPolarHBondContact O-CB 3.31Å; G10-L14 PolarHBondContact O-N 2.82Å; F11-L14 PolarHBondContact O-N 2.76Å; L14-F17 PolarHBondContact O-N 3.39Å; L14-C18 PolarHBondContact O-N 3.49Å; L14-C18 PolarHBondContact O-SG 2.8Å |
| 15 | A | 59.6 | Low | 56.1 | Low | 49 Ų | 49 | 106.7 Ų | 106.7 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F11 F17 C18 V19 | F11-A15 WeakPolarHBondContact O-CB 3.37Å; F11-A15 PolarHBondContact O-N 3.12Å; A15-F17 VanDerWaalsContact C-N 3.35Å; A15-F17 PolarHBondContact O-N 2.68Å; A15-C18 PolarHBondContact O-N 3.38Å; A15-V19 VanDerWaalsContact O-CG2 3.28Å; A15-V19 WeakPolarHBondContact O-CG2 3.48Å; A15-V19 PolarHBondContact O-N 2.71Å; A15-V19 VanDerWaalsContact O-N 3.11Å |
| 16 | G | 58.6 | Low | 57.4 | Low | 37 Ų | 37 | 108.4 Ų | 108.4 | 38% | 0.381 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63 | -37.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V12 F13 V19 Q20 | V12-G16 PolarHBondContact O-N 2.82Å; F13-G16 PolarHBondContact O-N 3.19Å; G16-V19 PolarHBondContact O-N 3.03Å; G16-Q20 WeakPolarHBondContact O-CB 3.38Å; G16-Q20 VanDerWaalsContact O-CG 3.31Å; G16-Q20 WeakPolarHBondContact O-CG 3.32Å; G16-Q20 PolarHBondContact O-N 2.91Å |
| 17 | F | 56.3 | Low | 59.2 | Low | 132 Ų | 132 | 101 Ų | 101 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.3 | -37 | 175.1 | -116.4 | -98.7 | 0 | 0 | 0 | 112.8 | F13 L14 A15 V19 Q20 F21 | F13-F17 WeakPolarHBondContact O-CB 3.25Å; F13-F17 PolarHBondContact O-N 3.45Å; L14-F17 PolarHBondContact O-N 3.39Å; A15-F17 VanDerWaalsContact C-N 3.35Å; A15-F17 PolarHBondContact O-N 2.68Å; F17-V19 VanDerWaalsContact C-N 3.28Å; F17-V19 PolarHBondContact O-N 3.21Å; F17-Q20 PolarHBondContact O-N 3.08Å; F17-F21 AromaticContact CD1-CD2 3.66Å; F17-F21 HydrophobicContact CD1-CD2 3.66Å; F17-F21 AromaticContact CD1-CE2 3.99Å; F17-F21 HydrophobicContact CD1-CE2 3.99Å; F17-F21 AromaticContact CE1-CD2 3.73Å; F17-F21 HydrophobicContact CE1-CD2 3.73Å; F17-F21 AromaticContact CE1-CE2 3.53Å; F17-F21 HydrophobicContact CE1-CE2 3.53Å; F17-F21 HydrophobicContact CZ-CE2 4.42Å; F17-F21 WeakPolarHBondContact O-CB 3.31Å; F17-F21 PolarHBondContact O-N 3.32Å |
| 18 | C | 56.1 | Low | 61.2 | Low | 66 Ų | 66 | 102.8 Ų | 102.8 | 45% | 0.446 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67 | -28 | 174.1 | -75.2 | 0 | 0 | 0 | 0 | 113.1 | L14 A15 F21 G22 | L14-C18 PolarHBondContact O-N 3.49Å; L14-C18 PolarHBondContact O-SG 2.8Å; A15-C18 PolarHBondContact O-N 3.38Å; C18-F21 CarbonylContact O-C 3.46Å; C18-G22 PolarHBondContact O-N 2.73Å |
| 19 | V | 55.8 | Low | 63.2 | Low | 123 Ų | 123 | 100.4 Ų | 100.4 | 75% | 0.745 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -80.4 | -32.9 | 174.8 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | A15 G16 F17 | A15-V19 VanDerWaalsContact O-CG2 3.28Å; A15-V19 WeakPolarHBondContact O-CG2 3.48Å; A15-V19 PolarHBondContact O-N 2.71Å; A15-V19 VanDerWaalsContact O-N 3.11Å; G16-V19 PolarHBondContact O-N 3.03Å; F17-V19 VanDerWaalsContact C-N 3.28Å; F17-V19 PolarHBondContact O-N 3.21Å |
| 20 | Q | 51.8 | Low | 65 | Low | 167 Ų | 167 | 100.5 Ų | 100.5 | 78% | 0.78 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -79.3 | -40.1 | 176.4 | -72.9 | -71.5 | -5.7 | 0 | 0 | 113.1 | G16 F17 G22 | G16-Q20 WeakPolarHBondContact O-CB 3.38Å; G16-Q20 VanDerWaalsContact O-CG 3.31Å; G16-Q20 WeakPolarHBondContact O-CG 3.32Å; G16-Q20 PolarHBondContact O-N 2.91Å; F17-Q20 PolarHBondContact O-N 3.08Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; Q20-G22 PolarHBondContact O-N 3.19Å |
| 21 | F | 50.8 | Low | 66.9 | Low | 141 Ų | 141 | 102.4 Ų | 102.4 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 59.8 | 167.3 | -82.3 | -95.1 | 0 | 0 | 0 | 108.9 | F17 C18 F23 | F17-F21 AromaticContact CD1-CD2 3.66Å; F17-F21 HydrophobicContact CD1-CD2 3.66Å; F17-F21 AromaticContact CD1-CE2 3.99Å; F17-F21 HydrophobicContact CD1-CE2 3.99Å; F17-F21 AromaticContact CE1-CD2 3.73Å; F17-F21 HydrophobicContact CE1-CD2 3.73Å; F17-F21 AromaticContact CE1-CE2 3.53Å; F17-F21 HydrophobicContact CE1-CE2 3.53Å; F17-F21 HydrophobicContact CZ-CE2 4.42Å; F17-F21 WeakPolarHBondContact O-CB 3.31Å; F17-F21 PolarHBondContact O-N 3.32Å; C18-F21 CarbonylContact O-C 3.46Å; F21-F23 VanDerWaalsContact C-N 3.34Å; F21-F23 PolarHBondContact O-N 2.87Å |
| 22 | G | 49.1 | Very low | 68.8 | Low | 48 Ų | 48 | 99.9 Ų | 99.9 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | trans | -51 | 106.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | C18 Q20 S24 | C18-G22 PolarHBondContact O-N 2.73Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; Q20-G22 PolarHBondContact O-N 3.19Å; G22-S24 PolarHBondContact O-N 2.88Å | ||
| 23 | F | 50.5 | Low | 70.5 | Confident | 158 Ų | 158 | 95.7 Ų | 95.7 | 69% | 0.693 | 51% | 0.505 | S | S | * | . | trans | -54 | 108.2 | 172.7 | -85.4 | -94 | 0 | 0 | 0 | 105.5 | F21 F25 | F21-F23 VanDerWaalsContact C-N 3.34Å; F21-F23 PolarHBondContact O-N 2.87Å; F23-F25 HydrophobicContact CB-CD2 3.86Å; F23-F25 HydrophobicContact CB-CE1 4.47Å; F23-F25 HydrophobicContact CB-CE2 3.41Å; F23-F25 VanDerWaalsContact CB-CE2 3.41Å; F23-F25 HydrophobicContact CB-CZ 3.77Å; F23-F25 HydrophobicContact CG-CE2 4.37Å; F23-F25 HydrophobicContact CG-CZ 4.34Å; F23-F25 WeakPolarHBondContact O-CD2 3.34Å; F23-F25 PolarHBondContact O-N 3.14Å | ||
| 24 | S | 56.3 | Low | 72.3 | Confident | 98 Ų | 98 | 92.5 Ų | 92.5 | 69% | 0.685 | 50% | 0.501 | S | S | * | . | trans | -66.1 | 85.3 | 175.2 | -64.6 | 0 | 0 | 0 | 0 | 107.4 | G22 E26 | G22-S24 PolarHBondContact O-N 2.88Å; S24-E26 PolarHBondContact O-N 2.79Å | ||
| 25 | F | 63.9 | Low | 74.2 | Confident | 140 Ų | 140 | 92.7 Ų | 92.7 | 61% | 0.614 | 50% | 0.503 | S | S | * | . | trans | -71.8 | 2 | 170.7 | -70.4 | -72.6 | 0 | 0 | 0 | 111.9 | F23 T54 | F23-F25 HydrophobicContact CB-CD2 3.86Å; F23-F25 HydrophobicContact CB-CE1 4.47Å; F23-F25 HydrophobicContact CB-CE2 3.41Å; F23-F25 VanDerWaalsContact CB-CE2 3.41Å; F23-F25 HydrophobicContact CB-CZ 3.77Å; F23-F25 HydrophobicContact CG-CE2 4.37Å; F23-F25 HydrophobicContact CG-CZ 4.34Å; F23-F25 WeakPolarHBondContact O-CD2 3.34Å; F23-F25 PolarHBondContact O-N 3.14Å; F25-T54 HydrophobicContact CB-CG2 4.02Å; F25-T54 HydrophobicContact CD1-CG2 3.71Å; F25-T54 HydrophobicContact CG-CG2 4.36Å | ||
| 26 | E | 81.8 | Confident | 75.9 | Confident | 134 Ų | 134 | 92.6 Ų | 92.6 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -88.4 | 138.4 | 177.1 | -162.6 | 166.2 | -173.1 | 0 | 0 | 110.5 | S24 Y140 | S24-E26 PolarHBondContact O-N 2.79Å; E26-Y140 HydrophobicContact CG-CE1 4.32Å |
| 27 | G | 91.2 | Very high | 77.7 | Confident | 9 Ų | 9 | 94.7 Ų | 94.7 | 9% | 0.093 | 50% | 0.5 | C | S | . | . | trans | -70.2 | 152.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q51 S52 | G27-Q51 CarbonylContact C-O 3.54Å; G27-Q51 WeakPolarHBondContact CA-O 3.35Å; G27-S52 WeakPolarHBondContact CA-O 3.5Å; G27-S52 PolarHBondContact N-O 3.4Å | ||
| 28 | R | 95.4 | Very high | 79.6 | Confident | 135 Ų | 135 | 89.1 Ų | 89.1 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.9 | -178.8 | 70.2 | -179.1 | -173.8 | -78.6 | -9.5 | 111.8 | F50 Q51 | R28-F50 VanDerWaalsContact C-CD2 3.47Å; R28-F50 WeakPolarHBondContact O-CA 3.5Å; R28-F50 WeakPolarHBondContact O-CD2 3.27Å; R28-Q51 VanDerWaalsContact CZ-OE1 3.3Å; R28-Q51 PolarHBondContact N-O 2.79Å; R28-Q51 PolarHBondContact O-N 2.66Å |
| 29 | F | 97.3 | Very high | 81.5 | Confident | 41 Ų | 41 | 92.1 Ų | 92.1 | 18% | 0.18 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 131 | 166.5 | -68 | -79.9 | 0 | 0 | 0 | 110.1 | L32 A49 F50 V129 A142 | F29-L32 HydrophobicContact CB-CD1 3.67Å; F29-L32 HydrophobicContact CB-CG 3.9Å; F29-L32 HydrophobicContact CG-CG 4.5Å; F29-A49 CarbonylContact C-O 3.57Å; F29-A49 VanDerWaalsContact CA-O 3.27Å; F29-A49 WeakPolarHBondContact CA-O 3.39Å; F29-F50 HydrophobicContact CD1-CB 4.21Å; F29-F50 AromaticContact CD1-CD2 3.92Å; F29-F50 HydrophobicContact CD1-CD2 3.92Å; F29-F50 HydrophobicContact CD2-CD2 4.3Å; F29-F50 HydrophobicContact CE1-CB 4.4Å; F29-F50 AromaticContact CE1-CD2 3.98Å; F29-F50 HydrophobicContact CE1-CD2 3.98Å; F29-F50 HydrophobicContact CE2-CD2 4.37Å; F29-F50 HydrophobicContact CG-CD2 4.08Å; F29-F50 HydrophobicContact CZ-CD2 4.21Å; F29-V129 HydrophobicContact CE1-CG2 3.82Å; F29-V129 HydrophobicContact CZ-CG2 4.37Å; F29-A142 HydrophobicContact CD1-CB 4.28Å; F29-A142 HydrophobicContact CD2-CB 4.3Å; F29-A142 HydrophobicContact CE1-CB 4.02Å; F29-A142 HydrophobicContact CE2-CB 4.03Å; F29-A142 HydrophobicContact CG-CB 4.42Å; F29-A142 HydrophobicContact CZ-CB 3.89Å |
| 30 | T | 97.5 | Very high | 83.4 | Confident | 82 Ų | 82 | 90.2 Ų | 90.2 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -20.3 | 174 | 57 | 0 | 0 | 0 | 0 | 112.2 | A49 Q51 | T30-A49 PolarHBondContact N-O 2.85Å; T30-A49 VanDerWaalsContact OG1-CB 3.26Å; T30-A49 WeakPolarHBondContact OG1-CB 3.39Å; T30-A49 PolarHBondContact OG1-O 3.39Å; T30-Q51 HydrophobicContact CG2-CB 3.96Å |
| 31 | D | 98.2 | Very high | 85.4 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 127.7 | 171.6 | -164.5 | 1.3 | 0 | 0 | 0 | 107.9 | A47 C48 A49 | D31-A47 WeakPolarHBondContact OD2-CB 3.43Å; D31-C48 WeakPolarHBondContact O-CA 3.29Å; D31-A49 HydrophobicContact CB-CB 3.66Å; D31-A49 PolarHBondContact N-O 3.18Å; D31-A49 PolarHBondContact O-N 2.79Å |
| 32 | L | 97.9 | Very high | 87.6 | Confident | 99 Ų | 99 | 82.3 Ų | 82.3 | 52% | 0.518 | 44% | 0.443 | S | S | . | . | trans | -113.3 | 139.9 | -176.6 | -78.2 | 90.6 | 0 | 0 | 0 | 110.1 | F29 A47 A142 | F29-L32 HydrophobicContact CB-CD1 3.67Å; F29-L32 HydrophobicContact CB-CG 3.9Å; F29-L32 HydrophobicContact CG-CG 4.5Å; L32-A47 CarbonylContact C-O 3.49Å; L32-A142 HydrophobicContact CD2-CB 4.49Å | ||
| 33 | P | 97.5 | Very high | 89.8 | Confident | 11 Ų | 11 | 85.6 Ų | 85.6 | 7% | 0.071 | 45% | 0.449 | C | S | . | . | trans | -65.6 | 145.2 | 172.4 | 34.6 | -38.6 | 0 | 0 | 0 | 110.1 | W63 A142 A144 | P33-W63 HydrophobicContact CB-CH2 3.7Å; P33-W63 HydrophobicContact CB-CZ3 4.29Å; P33-W63 HydrophobicContact CG-CH2 4.26Å; P33-A142 HydrophobicContact CG-CB 4.16Å; P33-A144 HydrophobicContact CB-CB 3.66Å; P33-A144 HydrophobicContact CG-CB 4.09Å | ||
| 34 | S | 96.1 | Very high | 92 | Very high | 81 Ų | 81 | 78.9 Ų | 78.9 | 57% | 0.566 | 42% | 0.42 | S | S | * | . | trans | -118.1 | 142.2 | -174.5 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | M36 | S34-M36 PolarHBondContact O-N 2.78Š| ||
| 35 | N | 96.7 | Very high | 94 | Very high | 122 Ų | 122 | 78.2 Ų | 78.2 | 65% | 0.652 | 41% | 0.406 | S | S | * | . | trans | -59.5 | 131.4 | 172.6 | -65.2 | -22.1 | 0 | 0 | 0 | 109.9 | A144 W145 | N35-A144 WeakPolarHBondContact OD1-CA 3.37Å; N35-W145 WeakPolarHBondContact CA-O 3.02Å; N35-W145 PolarHBondContact OD1-N 2.83Å | ||
| 36 | M | 95.3 | Very high | 95.6 | Very high | 47 Ų | 47 | 71.7 Ų | 71.7 | 23% | 0.232 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 151.5 | -179.6 | 71.4 | 179.6 | 77 | 0 | 0 | 112.2 | S34 V38 I44 M46 W145 L146 R147 | S34-M36 PolarHBondContact O-N 2.78Å; M36-V38 HydrophobicContact CG-CG1 4.21Å; M36-V38 HydrophobicContact SD-CG1 4.11Å; M36-I44 HydrophobicContact SD-CB 3.91Å; M36-I44 HydrophobicContact SD-CD1 4.15Å; M36-I44 HydrophobicContact SD-CG1 4.48Å; M36-I44 HydrophobicContact SD-CG2 4.04Å; M36-M46 HydrophobicContact CE-CG 3.27Å; M36-M46 HydrophobicContact CE-SD 3.86Å; M36-W145 PolarHBondContact N-O 3.44Å; M36-L146 HydrophobicContact CG-CD1 3.5Å; M36-L146 HydrophobicContact SD-CD1 4Å; M36-R147 PolarHBondContact O-N 3.42Å |
| 37 | T | 96.5 | Very high | 96.3 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 50% | 0.497 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.1 | 172.6 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | R147 N149 | T37-R147 CarbonylContact C-O 3.58Å; T37-R147 WeakPolarHBondContact CA-O 3.45Å; T37-R147 HydrophobicContact CG2-CB 3.97Å; T37-N149 WeakPolarHBondContact CG2-ND2 3.3Å |
| 38 | V | 96.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 65.9 Ų | 65.9 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 159.1 | -175.3 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | M36 I44 V117 L146 R147 V148 N149 | M36-V38 HydrophobicContact CG-CG1 4.21Å; M36-V38 HydrophobicContact SD-CG1 4.11Å; V38-I44 HydrophobicContact CB-CG2 4.11Å; V38-I44 HydrophobicContact CG1-CG2 3.59Å; V38-I44 HydrophobicContact CG2-CG2 3.99Å; V38-V117 HydrophobicContact CG2-CB 4.33Å; V38-V117 HydrophobicContact CG2-CG1 3.79Å; V38-L146 HydrophobicContact CG1-CD1 4.42Å; V38-L146 HydrophobicContact CG2-CD1 3.76Å; V38-R147 PolarHBondContact N-O 2.62Å; V38-V148 HydrophobicContact CG2-CG2 4.34Å; V38-V148 CarbonylContact O-C 3.57Å; V38-V148 WeakPolarHBondContact O-CA 3.28Å; V38-N149 PolarHBondContact O-N 2.8Å |
| 39 | K | 95.7 | Very high | 96.8 | Very high | 129 Ų | 129 | 60 Ų | 60 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 148.8 | 172.7 | -65.9 | -178.7 | -178.8 | 178.2 | 0 | 109.8 | G41 Q42 | K39-G41 PolarHBondContact O-N 3.31Å; K39-Q42 HydrophobicContact CB-CG 4.28Å; K39-Q42 WeakPolarHBondContact O-CB 3.41Å; K39-Q42 WeakPolarHBondContact O-CG 3.43Å; K39-Q42 PolarHBondContact O-N 2.96Å |
| 40 | E | 95.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 58 Ų | 58 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 137.5 | 172 | -166.4 | -178.4 | 179.5 | 0 | 0 | 111.9 | Q42 V117 V148 N149 T151 | E40-Q42 VanDerWaalsContact C-N 3.34Å; E40-V117 CarbonylContact C-O 3.55Å; E40-V117 VanDerWaalsContact CA-O 3.32Å; E40-V117 WeakPolarHBondContact CA-O 3.5Å; E40-V148 HydrophobicContact CB-CG1 4.41Å; E40-N149 PolarHBondContact N-O 2.98Å; E40-N149 VanDerWaalsContact N-O 3.12Å; E40-T151 HydrophobicContact CB-CG2 4.49Å; E40-T151 PolarHBondContact OE2-N 2.85Å; E40-T151 PolarHBondContact OE2-OG1 2.93Å |
| 41 | G | 94.7 | Very high | 96.9 | Very high | 48 Ų | 48 | 57 Ų | 57 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -6.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K39 V117 | K39-G41 PolarHBondContact O-N 3.31Å; G41-V117 PolarHBondContact N-O 3.48Å |
| 42 | Q | 96.1 | Very high | 96.6 | Very high | 95 Ų | 95 | 53.4 Ų | 53.4 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | trans | -72.9 | 156.6 | 173.7 | -67.3 | -171.9 | -59.7 | 0 | 0 | 111.7 | K39 E40 R116 V117 | K39-Q42 HydrophobicContact CB-CG 4.28Å; K39-Q42 WeakPolarHBondContact O-CB 3.41Å; K39-Q42 WeakPolarHBondContact O-CG 3.43Å; K39-Q42 PolarHBondContact O-N 2.96Å; E40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-R116 PolarHBondContact O-N 2.82Å; Q42-V117 WeakPolarHBondContact O-CB 3.32Å; Q42-V117 VanDerWaalsContact O-CG2 3.3Å; Q42-V117 WeakPolarHBondContact O-CG2 3.49Å; Q42-V117 PolarHBondContact O-N 3.06Å | ||
| 43 | N | 96.7 | Very high | 96.1 | Very high | 117 Ų | 117 | 50.7 Ų | 50.7 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | trans | -99.7 | 138 | 168.5 | -60.4 | -19.6 | 0 | 0 | 0 | 108.2 | I114 S115 R116 | N43-I114 CarbonylContact C-O 3.51Å; N43-I114 VanDerWaalsContact CA-O 3.31Å; N43-I114 WeakPolarHBondContact CA-O 3.41Å; N43-S115 VanDerWaalsContact OD1-CA 3.24Å; N43-S115 WeakPolarHBondContact OD1-CA 3.29Å; N43-R116 PolarHBondContact OD1-N 3.47Å | ||
| 44 | I | 96.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 156.6 | -179.8 | 68.4 | 105.2 | 0 | 0 | 0 | 110.7 | M36 V38 M46 Q113 I114 V117 L146 | M36-I44 HydrophobicContact SD-CB 3.91Å; M36-I44 HydrophobicContact SD-CD1 4.15Å; M36-I44 HydrophobicContact SD-CG1 4.48Å; M36-I44 HydrophobicContact SD-CG2 4.04Å; V38-I44 HydrophobicContact CB-CG2 4.11Å; V38-I44 HydrophobicContact CG1-CG2 3.59Å; V38-I44 HydrophobicContact CG2-CG2 3.99Å; I44-M46 HydrophobicContact CD1-CE 3.93Å; I44-M46 HydrophobicContact CD1-CG 4.1Å; I44-M46 HydrophobicContact CD1-SD 4.47Å; I44-Q113 WeakPolarHBondContact O-CA 3.23Å; I44-I114 HydrophobicContact CD1-CB 4.21Å; I44-I114 HydrophobicContact CD1-CD1 3.99Å; I44-I114 HydrophobicContact CD1-CG1 4.03Å; I44-I114 HydrophobicContact CG1-CB 3.85Å; I44-I114 HydrophobicContact CG1-CD1 4.42Å; I44-I114 HydrophobicContact CG1-CG1 4.25Å; I44-I114 PolarHBondContact N-O 2.66Å; I44-I114 PolarHBondContact O-N 2.9Å; I44-V117 HydrophobicContact CB-CG2 4.47Å; I44-V117 HydrophobicContact CG1-CG2 3.82Å; I44-V117 HydrophobicContact CG2-CG2 3.96Å; I44-L146 HydrophobicContact CD1-CD2 4.22Å; I44-L146 HydrophobicContact CG1-CD2 4.41Å |
| 45 | E | 97.3 | Very high | 95.2 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.7 | 174.1 | -177.1 | 175.2 | 108.7 | 0 | 0 | 108.9 | K111 L112 Q113 | E45-K111 HydrophobicContact CG-CB 4.22Å; E45-K111 HydrophobicContact CG-CD 4.37Å; E45-K111 HydrophobicContact CG-CG 4.49Å; E45-K111 VanDerWaalsContact OE1-CD 3.31Å; E45-K111 WeakPolarHBondContact OE1-CD 3.4Å; E45-K111 WeakPolarHBondContact OE1-CE 3.42Å; E45-K111 IonicContact OE1-NZ 3.4Å; E45-K111 PolarHBondContact OE1-NZ 3.16Å; E45-L112 CarbonylContact C-O 3.58Å; E45-L112 VanDerWaalsContact CA-O 3.27Å; E45-L112 WeakPolarHBondContact CA-O 3.45Å; E45-Q113 HydrophobicContact CB-CG 4.42Å; E45-Q113 HydrophobicContact CG-CG 4.1Å; E45-Q113 PolarHBondContact OE2-NE2 3.24Å |
| 46 | M | 97.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126 | 171 | -70.6 | -175.6 | -68 | 0 | 0 | 108.8 | M36 I44 W63 K111 L112 Y125 A144 | M36-M46 HydrophobicContact CE-CG 3.27Å; M36-M46 HydrophobicContact CE-SD 3.86Å; I44-M46 HydrophobicContact CD1-CE 3.93Å; I44-M46 HydrophobicContact CD1-CG 4.1Å; I44-M46 HydrophobicContact CD1-SD 4.47Å; M46-W63 HydrophobicContact CB-CH2 3.64Å; M46-W63 HydrophobicContact CB-CZ2 4.07Å; M46-W63 HydrophobicContact CB-CZ3 4.44Å; M46-W63 WeakPolarHBondContact O-CZ2 3.47Å; M46-K111 CarbonylContact O-C 3.53Å; M46-K111 VanDerWaalsContact O-CA 3.29Å; M46-K111 WeakPolarHBondContact O-CA 3.48Å; M46-L112 HydrophobicContact CB-CB 4.47Å; M46-L112 HydrophobicContact CE-CD2 3.71Å; M46-L112 PolarHBondContact N-O 3.19Å; M46-L112 PolarHBondContact O-N 3.39Å; M46-Y125 HydrophobicContact CE-CD1 3.82Å; M46-Y125 HydrophobicContact CE-CD2 3.8Å; M46-Y125 HydrophobicContact CE-CE1 4.37Å; M46-Y125 HydrophobicContact CE-CE2 4.36Å; M46-Y125 HydrophobicContact CE-CG 3.49Å; M46-Y125 VanDerWaalsContact CE-CG 3.49Å; M46-A144 HydrophobicContact SD-CB 4.23Å |
| 47 | A | 98 | Very high | 94.8 | Very high | 19 Ų | 19 | 47 Ų | 47 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 146.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D31 L32 K111 | D31-A47 WeakPolarHBondContact OD2-CB 3.43Å; L32-A47 CarbonylContact C-O 3.49Å; A47-K111 HydrophobicContact CB-CG 3.95Å |
| 48 | C | 98.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 132 | 171 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | D31 I61 W63 S109 H110 C127 | D31-C48 WeakPolarHBondContact O-CA 3.29Å; C48-I61 HydrophobicContact CB-CD1 4.05Å; C48-W63 HydrophobicContact CB-CH2 4.34Å; C48-W63 HydrophobicContact CB-CZ2 3.73Å; C48-S109 CarbonylContact O-C 3.59Å; C48-S109 WeakPolarHBondContact O-CA 3.32Å; C48-H110 PolarHBondContact N-O 2.97Å; C48-H110 PolarHBondContact O-N 2.79Å; C48-C127 HydrophobicContact CB-CB 3.68Å; C48-C127 WeakPolarHBondContact CB-SG 3.11Å; C48-C127 WeakPolarHBondContact SG-CB 3.37Å; C48-C127 CovalentContact SG-SG 2.03Å; C48-C127 PolarHBondContact SG-SG 2.93Å |
| 49 | A | 98.4 | Very high | 94.8 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 145 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F29 T30 D31 I108 | F29-A49 CarbonylContact C-O 3.57Å; F29-A49 VanDerWaalsContact CA-O 3.27Å; F29-A49 WeakPolarHBondContact CA-O 3.39Å; T30-A49 PolarHBondContact N-O 2.85Å; T30-A49 VanDerWaalsContact OG1-CB 3.26Å; T30-A49 WeakPolarHBondContact OG1-CB 3.39Å; T30-A49 PolarHBondContact OG1-O 3.39Å; D31-A49 HydrophobicContact CB-CB 3.66Å; D31-A49 PolarHBondContact N-O 3.18Å; D31-A49 PolarHBondContact O-N 2.79Å; A49-I108 CarbonylContact C-O 3.53Å; A49-I108 VanDerWaalsContact CA-O 3.29Å; A49-I108 WeakPolarHBondContact CA-O 3.35Å |
| 50 | F | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143 | -172.7 | -177.5 | -90.3 | 0 | 0 | 0 | 111.6 | R28 F29 L59 D107 I108 V129 Y140 | R28-F50 VanDerWaalsContact C-CD2 3.47Å; R28-F50 WeakPolarHBondContact O-CA 3.5Å; R28-F50 WeakPolarHBondContact O-CD2 3.27Å; F29-F50 HydrophobicContact CD1-CB 4.21Å; F29-F50 AromaticContact CD1-CD2 3.92Å; F29-F50 HydrophobicContact CD1-CD2 3.92Å; F29-F50 HydrophobicContact CD2-CD2 4.3Å; F29-F50 HydrophobicContact CE1-CB 4.4Å; F29-F50 AromaticContact CE1-CD2 3.98Å; F29-F50 HydrophobicContact CE1-CD2 3.98Å; F29-F50 HydrophobicContact CE2-CD2 4.37Å; F29-F50 HydrophobicContact CG-CD2 4.08Å; F29-F50 HydrophobicContact CZ-CD2 4.21Å; F50-L59 HydrophobicContact CD1-CD1 4.43Å; F50-D107 WeakPolarHBondContact O-CA 3.37Å; F50-I108 HydrophobicContact CB-CG2 4.06Å; F50-I108 PolarHBondContact N-O 2.95Å; F50-I108 PolarHBondContact O-N 3.08Å; F50-V129 HydrophobicContact CB-CB 4.38Å; F50-V129 HydrophobicContact CB-CG1 4.03Å; F50-V129 HydrophobicContact CB-CG2 3.9Å; F50-V129 HydrophobicContact CD1-CB 4.47Å; F50-V129 HydrophobicContact CD1-CG1 3.59Å; F50-V129 HydrophobicContact CD2-CB 4.44Å; F50-V129 HydrophobicContact CD2-CG1 4.39Å; F50-V129 HydrophobicContact CE1-CG1 4.09Å; F50-V129 HydrophobicContact CG-CB 4.19Å; F50-V129 HydrophobicContact CG-CG1 3.75Å; F50-V129 HydrophobicContact CG-CG2 4.23Å; F50-Y140 HydrophobicContact CD2-CG 4.46Å; F50-Y140 HydrophobicContact CE1-CD2 4.15Å; F50-Y140 HydrophobicContact CE1-CE2 4.23Å; F50-Y140 AromaticContact CE2-CD1 3.81Å; F50-Y140 HydrophobicContact CE2-CD1 3.81Å; F50-Y140 AromaticContact CE2-CD2 3.65Å; F50-Y140 HydrophobicContact CE2-CD2 3.65Å; F50-Y140 HydrophobicContact CE2-CE1 4.27Å; F50-Y140 HydrophobicContact CE2-CE2 4.12Å; F50-Y140 AromaticContact CE2-CG 3.47Å; F50-Y140 HydrophobicContact CE2-CG 3.47Å; F50-Y140 VanDerWaalsContact CE2-CG 3.47Å; F50-Y140 HydrophobicContact CZ-CD1 4.07Å; F50-Y140 AromaticContact CZ-CD2 3.31Å; F50-Y140 HydrophobicContact CZ-CD2 3.31Å; F50-Y140 HydrophobicContact CZ-CE1 4.16Å; F50-Y140 AromaticContact CZ-CE2 3.41Å; F50-Y140 HydrophobicContact CZ-CE2 3.41Å; F50-Y140 VanDerWaalsContact CZ-CE2 3.41Å; F50-Y140 AromaticContact CZ-CG 3.66Å; F50-Y140 HydrophobicContact CZ-CG 3.66Å; F50-Y140 AromaticContact CZ-CZ 3.85Å |
| 51 | Q | 97.2 | Very high | 95.1 | Very high | 59 Ų | 59 | 37 Ų | 37 | 28% | 0.276 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.9 | 177.4 | 173.3 | 165.9 | 81.1 | 0 | 0 | 109.6 | G27 R28 T30 G53 N106 D107 | G27-Q51 CarbonylContact C-O 3.54Å; G27-Q51 WeakPolarHBondContact CA-O 3.35Å; R28-Q51 VanDerWaalsContact CZ-OE1 3.3Å; R28-Q51 PolarHBondContact N-O 2.79Å; R28-Q51 PolarHBondContact O-N 2.66Å; T30-Q51 HydrophobicContact CG2-CB 3.96Å; Q51-G53 VanDerWaalsContact C-N 3.33Å; Q51-G53 PolarHBondContact O-N 3.02Å; Q51-N106 CarbonylContact C-O 3.59Å; Q51-N106 WeakPolarHBondContact CA-O 3.49Å; Q51-D107 WeakPolarHBondContact CB-OD1 3.31Å; Q51-D107 WeakPolarHBondContact CG-OD1 3.35Å; Q51-D107 PolarHBondContact NE2-OD1 2.9Å |
| 52 | S | 93.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -75.5 | -10.7 | -169.1 | 59.4 | 0 | 0 | 0 | 0 | 116.2 | G27 T54 S56 N106 R131 | G27-S52 WeakPolarHBondContact CA-O 3.5Å; G27-S52 PolarHBondContact N-O 3.4Å; S52-T54 PolarHBondContact O-N 3.42Å; S52-T54 PolarHBondContact OG-O 2.85Å; S52-S56 WeakPolarHBondContact CB-OG 3.33Å; S52-S56 PolarHBondContact OG-OG 2.82Å; S52-N106 PolarHBondContact N-O 2.88Å; S52-N106 WeakPolarHBondContact OG-CA 3.27Å; S52-N106 WeakPolarHBondContact OG-CB 3.42Å; S52-N106 PolarHBondContact OG-O 2.81Å; S52-R131 PolarHBondContact O-NH1 3.47Å | ||
| 53 | G | 87.5 | Confident | 95.3 | Very high | 41 Ų | 41 | 31.3 Ų | 31.3 | 42% | 0.423 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 69.7 | -29.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q51 | Q51-G53 VanDerWaalsContact C-N 3.33Å; Q51-G53 PolarHBondContact O-N 3.02Å |
| 54 | T | 86.5 | Confident | 95.3 | Very high | 39 Ų | 39 | 27.3 Ų | 27.3 | 24% | 0.239 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -130.2 | 164 | 178.8 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | F25 S52 S56 N106 R131 | F25-T54 HydrophobicContact CB-CG2 4.02Å; F25-T54 HydrophobicContact CD1-CG2 3.71Å; F25-T54 HydrophobicContact CG-CG2 4.36Å; S52-T54 PolarHBondContact O-N 3.42Å; S52-T54 PolarHBondContact OG-O 2.85Å; T54-S56 PolarHBondContact O-N 2.76Å; T54-S56 PolarHBondContact O-OG 2.93Å; T54-N106 PolarHBondContact O-OD1 2.74Å; T54-R131 PolarHBondContact OG1-NH1 3.4Å |
| 55 | A | 87.5 | Confident | 95.3 | Very high | 72 Ų | 72 | 28.5 Ų | 28.5 | 60% | 0.595 | 17% | 0.166 | S | C | * | . | trans | -59.4 | 121.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | N106 N133 | A55-N106 VanDerWaalsContact CA-OD1 3.31Å; A55-N106 WeakPolarHBondContact CA-OD1 3.2Å; A55-N133 PolarHBondContact O-ND2 2.85Å | ||
| 56 | S | 88.9 | Confident | 95 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 11% | 0.112 | 16% | 0.157 | C | C | . | . | trans | -111.2 | 146 | 177.4 | -56 | 0 | 0 | 0 | 0 | 110.5 | S52 T54 N106 R131 | S52-S56 WeakPolarHBondContact CB-OG 3.33Å; S52-S56 PolarHBondContact OG-OG 2.82Å; T54-S56 PolarHBondContact O-N 2.76Å; T54-S56 PolarHBondContact O-OG 2.93Å; S56-N106 PolarHBondContact N-OD1 3.44Å; S56-R131 WeakPolarHBondContact OG-CG 3.16Å | ||
| 57 | V | 93.9 | Very high | 93.8 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 35% | 0.352 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -68.7 | -45.6 | 173.5 | 175.7 | 0 | 0 | 0 | 0 | 109.2 | A132 Y134 | V57-A132 WeakPolarHBondContact CB-O 3.37Å; V57-A132 PolarHBondContact N-O 2.99Å; V57-Y134 HydrophobicContact CG2-CD2 3.92Å; V57-Y134 HydrophobicContact CG2-CE2 3.67Å; V57-Y134 HydrophobicContact CG2-CG 4.47Å |
| 58 | Y | 95.9 | Very high | 92.2 | Very high | 59 Ų | 59 | 31.8 Ų | 31.8 | 23% | 0.231 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 157.7 | 168.7 | 67.8 | -96.5 | 0 | 0 | 0 | 110.9 | E60 K102 V103 A132 | Y58-E60 HydrophobicContact CD2-CB 4.37Å; Y58-E60 HydrophobicContact CE2-CB 4.31Å; Y58-K102 HydrophobicContact CD2-CD 4.09Å; Y58-K102 HydrophobicContact CD2-CG 4.1Å; Y58-K102 HydrophobicContact CE2-CD 4.42Å; Y58-V103 VanDerWaalsContact CA-O 3.32Å; Y58-V103 WeakPolarHBondContact CA-O 3.38Å; Y58-V103 WeakPolarHBondContact CB-O 3.38Å; Y58-A132 HydrophobicContact CD1-CB 3.67Å; Y58-A132 HydrophobicContact CD2-CB 4.04Å; Y58-A132 HydrophobicContact CE1-CB 3.2Å; Y58-A132 HydrophobicContact CE2-CB 3.63Å; Y58-A132 HydrophobicContact CG-CB 4.06Å; Y58-A132 PolarHBondContact N-O 2.03Å; Y58-A132 PolarHBondContact O-N 2.85Å; Y58-A132 VanDerWaalsContact O-N 3.08Å |
| 59 | L | 97.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.5 | 164 | -60.9 | -179.8 | 0 | 0 | 0 | 108.8 | F50 K102 V103 N106 I108 T130 R131 | F50-L59 HydrophobicContact CD1-CD1 4.43Å; L59-K102 WeakPolarHBondContact O-CA 3.25Å; L59-V103 HydrophobicContact CB-CG2 4.28Å; L59-V103 PolarHBondContact N-O 2.82Å; L59-V103 PolarHBondContact O-N 3.3Å; L59-N106 VanDerWaalsContact CD1-C 3.44Å; L59-I108 HydrophobicContact CB-CB 4.09Å; L59-I108 HydrophobicContact CB-CD1 4.05Å; L59-I108 HydrophobicContact CB-CG2 4.01Å; L59-I108 HydrophobicContact CD1-CB 4.11Å; L59-I108 HydrophobicContact CD1-CG2 3.95Å; L59-T130 WeakPolarHBondContact CA-O 3.29Å; L59-R131 HydrophobicContact CD2-CB 3.82Å; L59-R131 HydrophobicContact CD2-CG 3.8Å |
| 60 | E | 98.3 | Very high | 88.4 | Confident | 36 Ų | 36 | 43.3 Ų | 43.3 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.9 | 171.6 | -175.2 | 171.9 | 159.6 | 0 | 0 | 109.1 | Y58 Q62 T100 V101 K102 V129 T130 | Y58-E60 HydrophobicContact CD2-CB 4.37Å; Y58-E60 HydrophobicContact CE2-CB 4.31Å; E60-Q62 HydrophobicContact CG-CG 4.21Å; E60-Q62 PolarHBondContact OE1-NE2 3.47Å; E60-T100 PolarHBondContact OE1-OG1 3.07Å; E60-V101 CarbonylContact C-O 3.53Å; E60-V101 WeakPolarHBondContact CA-O 3.33Å; E60-K102 HydrophobicContact CB-CB 4.44Å; E60-K102 HydrophobicContact CB-CG 4.39Å; E60-K102 HydrophobicContact CG-CB 4.32Å; E60-K102 IonicContact OE2-NZ 2.66Å; E60-V129 CarbonylContact O-C 3.54Å; E60-V129 VanDerWaalsContact O-CA 3.27Å; E60-V129 WeakPolarHBondContact O-CA 3.41Å; E60-T130 PolarHBondContact N-O 3.42Å; E60-T130 PolarHBondContact O-N 2.8Å |
| 61 | I | 98.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 131.1 | 176.7 | -173.4 | 163.8 | 0 | 0 | 0 | 108.7 | C48 T100 V101 I108 H110 R128 V129 | C48-I61 HydrophobicContact CB-CD1 4.05Å; I61-T100 CarbonylContact O-C 3.42Å; I61-T100 WeakPolarHBondContact O-CA 3.5Å; I61-V101 HydrophobicContact CG2-CB 3.79Å; I61-V101 PolarHBondContact N-O 2.97Å; I61-V101 PolarHBondContact O-N 2.81Å; I61-I108 HydrophobicContact CB-CD1 3.75Å; I61-I108 HydrophobicContact CB-CG1 4.19Å; I61-I108 HydrophobicContact CB-CG2 4.28Å; I61-I108 HydrophobicContact CG2-CD1 3.38Å; I61-I108 HydrophobicContact CG2-CG1 3.68Å; I61-H110 HydrophobicContact CD1-CB 3.88Å; I61-H110 HydrophobicContact CG1-CB 4.17Å; I61-H110 HydrophobicContact CG2-CB 3.55Å; I61-R128 CarbonylContact C-O 3.57Å; I61-R128 WeakPolarHBondContact CA-O 3.26Å; I61-V129 HydrophobicContact CB-CG2 4.13Å; I61-V129 HydrophobicContact CD1-CG2 3.97Å; I61-V129 HydrophobicContact CG1-CG2 3.8Å |
| 62 | Q | 98.3 | Very high | 83.9 | Confident | 24 Ų | 24 | 51 Ų | 51 | 11% | 0.112 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141 | -178.3 | -57.1 | -177.5 | -10.7 | 0 | 0 | 110.5 | E60 S99 C127 R128 | E60-Q62 HydrophobicContact CG-CG 4.21Å; E60-Q62 PolarHBondContact OE1-NE2 3.47Å; Q62-S99 CarbonylContact C-O 3.56Å; Q62-S99 VanDerWaalsContact CA-O 3.25Å; Q62-S99 WeakPolarHBondContact CA-O 3.34Å; Q62-C127 WeakPolarHBondContact O-CA 3.04Å; Q62-R128 HydrophobicContact CB-CB 4.49Å; Q62-R128 PolarHBondContact N-O 3.35Å; Q62-R128 PolarHBondContact O-N 3.38Å |
| 63 | W | 98.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133 | 168 | -81.1 | 108 | 0 | 0 | 0 | 110.3 | P33 M46 C48 I98 S99 H110 L112 E126 C127 | P33-W63 HydrophobicContact CB-CH2 3.7Å; P33-W63 HydrophobicContact CB-CZ3 4.29Å; P33-W63 HydrophobicContact CG-CH2 4.26Å; M46-W63 HydrophobicContact CB-CH2 3.64Å; M46-W63 HydrophobicContact CB-CZ2 4.07Å; M46-W63 HydrophobicContact CB-CZ3 4.44Å; M46-W63 WeakPolarHBondContact O-CZ2 3.47Å; C48-W63 HydrophobicContact CB-CH2 4.34Å; C48-W63 HydrophobicContact CB-CZ2 3.73Å; W63-I98 HydrophobicContact CB-CB 4.19Å; W63-I98 HydrophobicContact CB-CD1 4.46Å; W63-I98 WeakPolarHBondContact O-CB 3.32Å; W63-I98 PolarHBondContact O-N 2.86Å; W63-S99 PolarHBondContact N-O 3.33Å; W63-S99 PolarHBondContact O-N 2.78Å; W63-H110 AromaticContact CD1-CD2 3.27Å; W63-H110 AromaticContact CD1-NE2 3.72Å; W63-H110 AromaticContact NE1-CD2 3.71Å; W63-L112 HydrophobicContact CD2-CB 3.74Å; W63-L112 HydrophobicContact CD2-CD2 4.24Å; W63-L112 HydrophobicContact CE3-CB 4.29Å; W63-L112 HydrophobicContact CE3-CD2 4.1Å; W63-L112 HydrophobicContact CG-CB 3.91Å; W63-L112 HydrophobicContact CG-CD2 4.48Å; W63-L112 HydrophobicContact CH2-CB 4.45Å; W63-L112 HydrophobicContact CZ2-CB 4.02Å; W63-E126 WeakPolarHBondContact CA-O 3.01Å; W63-C127 HydrophobicContact CE3-CB 4.34Å; W63-C127 HydrophobicContact CH2-CB 4.32Å; W63-C127 HydrophobicContact CZ2-CB 4.49Å; W63-C127 HydrophobicContact CZ3-CB 4.21Å |
| 64 | W | 96.8 | Very high | 79.5 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 13% | 0.125 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142.6 | 179.4 | -70.5 | 78.4 | 0 | 0 | 0 | 110.5 | E94 G95 T96 K97 Y125 E126 | W64-E94 VanDerWaalsContact CE3-O 3.28Å; W64-E94 HydrophobicContact CZ3-CB 4.47Å; W64-G95 WeakPolarHBondContact CZ3-O 3.4Å; W64-T96 CarbonylContact C-O 3.49Å; W64-T96 WeakPolarHBondContact CA-O 3.41Å; W64-K97 HydrophobicContact CD2-CB 3.96Å; W64-K97 HydrophobicContact CD2-CG 4.43Å; W64-K97 HydrophobicContact CE3-CB 4.06Å; W64-K97 HydrophobicContact CH2-CB 3.88Å; W64-K97 HydrophobicContact CZ2-CB 3.75Å; W64-K97 HydrophobicContact CZ2-CD 3.94Å; W64-K97 HydrophobicContact CZ2-CG 4.06Å; W64-K97 HydrophobicContact CZ3-CB 4.02Å; W64-Y125 WeakPolarHBondContact O-CA 3.43Å; W64-E126 HydrophobicContact CB-CB 4.34Å; W64-E126 PolarHBondContact N-O 3.31Å; W64-E126 PolarHBondContact O-N 2.81Å |
| 65 | F | 95.3 | Very high | 77.6 | Confident | 41 Ų | 41 | 68 Ų | 68 | 18% | 0.18 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 109.6 | 165.9 | 179.5 | -111.2 | 0 | 0 | 0 | 108.2 | G95 T96 I98 Y125 | F65-G95 CarbonylContact O-C 3.56Å; F65-G95 WeakPolarHBondContact O-CA 3.33Å; F65-T96 PolarHBondContact N-O 3.18Å; F65-T96 PolarHBondContact O-N 3.27Å; F65-I98 HydrophobicContact CB-CD1 3.93Å; F65-I98 HydrophobicContact CB-CG1 4.19Å; F65-Y125 HydrophobicContact CB-CE1 4.36Å; F65-Y125 HydrophobicContact CD2-CD1 4.17Å; F65-Y125 HydrophobicContact CD2-CD2 4.31Å; F65-Y125 AromaticContact CD2-CE1 3.69Å; F65-Y125 HydrophobicContact CD2-CE1 3.69Å; F65-Y125 AromaticContact CD2-CE2 3.83Å; F65-Y125 HydrophobicContact CD2-CE2 3.83Å; F65-Y125 HydrophobicContact CD2-CG 4.47Å; F65-Y125 AromaticContact CD2-CZ 3.51Å; F65-Y125 HydrophobicContact CE2-CE1 4.5Å; F65-Y125 AromaticContact CE2-CE2 3.94Å; F65-Y125 HydrophobicContact CE2-CE2 3.94Å; F65-Y125 AromaticContact CE2-CZ 3.87Å; F65-Y125 HydrophobicContact CG-CE1 4.45Å |
| 66 | V | 90.4 | Very high | 75.5 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 115.8 | 175.4 | -175.7 | 0 | 0 | 0 | 0 | 106.5 | A68 L124 E126 | V66-A68 PolarHBondContact O-N 2.97Å; V66-L124 HydrophobicContact CB-CB 4.18Å; V66-L124 HydrophobicContact CB-CD2 4.19Å; V66-L124 HydrophobicContact CB-CG 4.38Å; V66-L124 HydrophobicContact CG1-CD2 4.3Å; V66-L124 PolarHBondContact N-O 2.75Å; V66-L124 PolarHBondContact O-N 2.91Å; V66-L124 VanDerWaalsContact O-O 3.13Å; V66-E126 HydrophobicContact CG2-CB 4.13Å |
| 67 | K | 72.5 | Confident | 73.5 | Confident | 115 Ų | 115 | 81.1 Ų | 81.1 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 133.8 | -176.2 | -165.4 | 179.1 | 179.8 | -164.4 | 0 | 108.6 | E70 | K67-E70 IonicContact NZ-OE1 2.71Å; K67-E70 PolarHBondContact NZ-OE1 3.19Å |
| 68 | A | 64.8 | Low | 71 | Confident | 28 Ų | 28 | 84 Ų | 84 | 23% | 0.231 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 136.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | V66 E70 W145 | V66-A68 PolarHBondContact O-N 2.97Å; A68-E70 PolarHBondContact O-N 2.92Å; A68-W145 HydrophobicContact CB-CH2 3.55Å; A68-W145 HydrophobicContact CB-CZ2 4.21Å; A68-W145 HydrophobicContact CB-CZ3 4.4Å |
| 69 | P | 58.5 | Low | 68.2 | Low | 116 Ų | 116 | 88.5 Ų | 88.5 | 75% | 0.753 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 121.5 | 166.1 | 20.4 | -26.9 | 0 | 0 | 0 | 106.9 | ||
| 70 | E | 58.5 | Low | 65.8 | Low | 137 Ų | 137 | 92.2 Ų | 92.2 | 64% | 0.64 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 133.8 | 176.2 | -64.8 | -164.3 | -178.8 | 0 | 0 | 107.1 | K67 A68 T72 | K67-E70 IonicContact NZ-OE1 2.71Å; K67-E70 PolarHBondContact NZ-OE1 3.19Å; A68-E70 PolarHBondContact O-N 2.92Å; E70-T72 PolarHBondContact O-N 2.83Å |
| 71 | P | 54.8 | Low | 63.4 | Low | 101 Ų | 101 | 99.4 Ų | 99.4 | 66% | 0.656 | 54% | 0.535 | S | S | * | . | trans | -59.6 | 116 | 172.2 | 26 | -31 | 0 | 0 | 0 | 106.2 | D73 | P71-D73 PolarHBondContact O-N 2.87Š| ||
| 72 | T | 46.9 | Very low | 60.6 | Low | 122 Ų | 122 | 108.5 Ų | 108.5 | 75% | 0.748 | 58% | 0.577 | S | S | * | * | trans | -61.3 | 92.7 | 164.1 | 10.8 | 0 | 0 | 0 | 0 | 106.1 | E70 S74 | E70-T72 PolarHBondContact O-N 2.83Å; T72-S74 PolarHBondContact O-N 2.95Å | ||
| 73 | D | 43.7 | Very low | 58.3 | Low | 156 Ų | 156 | 116.4 Ų | 116.4 | 83% | 0.834 | 62% | 0.616 | S | S | * | * | trans | -69.5 | 65.5 | 164.4 | -66.5 | -27.8 | 0 | 0 | 0 | 107.4 | P71 | P71-D73 PolarHBondContact O-N 2.87Š| ||
| 74 | S | 43.6 | Very low | 55.8 | Low | 77 Ų | 77 | 124.4 Ų | 124.4 | 54% | 0.538 | 65% | 0.654 | S | S | . | * | trans | -127.1 | 59.9 | 170.5 | 60.7 | 0 | 0 | 0 | 0 | 108.1 | T72 E76 | T72-S74 PolarHBondContact O-N 2.95Å; S74-E76 PolarHBondContact O-N 2.9Å | ||
| 75 | E | 47.7 | Very low | 53.2 | Low | 202 Ų | 202 | 130.7 Ų | 130.7 | 94% | 0.944 | 69% | 0.686 | S | S | * | * | trans | -70 | 59.3 | 146.4 | -62.1 | -178.6 | 168.5 | 0 | 0 | 108.2 | ||||
| 76 | E | 43.4 | Very low | 51.3 | Low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | -105 | 100.5 | 162.1 | -78.4 | -167.2 | 163 | 0 | 0 | 107.1 | S74 V78 | S74-E76 PolarHBondContact O-N 2.9Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 HydrophobicContact CB-CG2 4.48Å; E76-V78 PolarHBondContact O-N 2.74Å | ||
| 77 | E | 46.2 | Very low | 49.7 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 74% | 0.735 | S | S | * | * | trans | -52.3 | 92.3 | 163.6 | -175.7 | -179.3 | -169.6 | 0 | 0 | 109.4 | ||||
| 78 | V | 41.5 | Very low | 48.8 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | trans | -137.3 | 110.8 | 167.6 | -167.5 | 0 | 0 | 0 | 0 | 110 | E76 | E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 HydrophobicContact CB-CG2 4.48Å; E76-V78 PolarHBondContact O-N 2.74Å | ||
| 79 | D | 37.5 | Very low | 48.6 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 18.2 | 140.4 | 150.5 | -150.6 | 13.5 | 0 | 0 | 0 | 120.7 | ||||
| 80 | A | 46.8 | Very low | 48 | Very low | 77 Ų | 77 | 145.3 Ų | 145.3 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -61.8 | 150.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 81 | Q | 47.2 | Very low | 47.8 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | 95.6 | 70.9 | 169.2 | -53.9 | 174.3 | 31.4 | 0 | 0 | 115.6 | ||||
| 82 | E | 40.3 | Very low | 47.7 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -146.5 | 133.9 | 133.6 | -112.6 | 166.5 | -170.7 | 0 | 0 | 107.7 | E84 | E82-E84 PolarHBondContact O-N 3.27Š| ||
| 83 | M | 50.9 | Low | 48.3 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 94% | 0.941 | 77% | 0.768 | S | S | * | * | trans | -66.3 | 87.5 | 170.7 | 177 | 164.3 | -104.5 | 0 | 0 | 106 | M85 | M83-M85 VanDerWaalsContact C-N 3.28Å; M83-M85 PolarHBondContact O-N 2.86Å | ||
| 84 | E | 44.9 | Very low | 49.7 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -60.9 | 98.2 | 173.5 | -167 | 177.2 | 176.5 | 0 | 0 | 106.2 | E82 I86 | E82-E84 PolarHBondContact O-N 3.27Å; E84-I86 PolarHBondContact O-N 2.78Å | ||
| 85 | M | 42.1 | Very low | 51.7 | Low | 164 Ų | 164 | 140.3 Ų | 140.3 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | trans | -59.7 | 98 | 167.3 | -169.8 | -171.6 | -59.1 | 0 | 0 | 104.3 | M83 P87 | M83-M85 VanDerWaalsContact C-N 3.28Å; M83-M85 PolarHBondContact O-N 2.86Å; M85-P87 WeakPolarHBondContact O-CD 3.27Å | ||
| 86 | I | 55.8 | Low | 53.8 | Low | 141 Ų | 141 | 135.2 Ų | 135.2 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | trans | -41.7 | 114.6 | 162.7 | -61.4 | 169.8 | 0 | 0 | 0 | 104 | E84 E88 | E84-I86 PolarHBondContact O-N 2.78Å; I86-E88 PolarHBondContact O-N 2.78Å | ||
| 87 | P | 57.2 | Low | 56.3 | Low | 106 Ų | 106 | 132.6 Ų | 132.6 | 69% | 0.688 | 70% | 0.704 | S | S | * | * | trans | -54.9 | 113.8 | 177.6 | -22.5 | 31.9 | 0 | 0 | 0 | 105.4 | M85 P89 | M85-P87 WeakPolarHBondContact O-CD 3.27Å; P87-P89 VanDerWaalsContact O-N 3.09Å | ||
| 88 | E | 52.3 | Low | 58.7 | Low | 175 Ų | 175 | 126.6 Ų | 126.6 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 125.3 | 171.2 | -75.6 | -171.1 | 157.4 | 0 | 0 | 105.2 | I86 D90 | I86-E88 PolarHBondContact O-N 2.78Å; E88-D90 PolarHBondContact O-N 2.87Å |
| 89 | P | 60.3 | Low | 61.3 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 119.6 | -177.9 | 20.2 | -30.7 | 0 | 0 | 0 | 107.1 | P87 P91 | P87-P89 VanDerWaalsContact O-N 3.09Å; P89-P91 VanDerWaalsContact O-N 3.12Å |
| 90 | D | 47.1 | Very low | 64.2 | Low | 101 Ų | 101 | 118.1 Ų | 118.1 | 54% | 0.54 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -49.7 | 120.7 | -176.7 | -168.3 | -23.3 | 0 | 0 | 0 | 107.9 | E88 D92 D93 | E88-D90 PolarHBondContact O-N 2.87Å; D90-D92 PolarHBondContact O-N 2.83Å; D90-D92 PolarHBondContact OD1-N 2.77Å; D90-D93 PolarHBondContact O-N 2.79Å |
| 91 | P | 54 | Low | 66.7 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 71% | 0.714 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -13.8 | -177.6 | 25.2 | -35.5 | 0 | 0 | 0 | 112.6 | P89 | P89-P91 VanDerWaalsContact O-N 3.12Š|
| 92 | D | 53.3 | Low | 69.1 | Low | 143 Ų | 143 | 113.2 Ų | 113.2 | 77% | 0.765 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -6.7 | 178.2 | -66.7 | -32.9 | 0 | 0 | 0 | 114.4 | D90 E94 | D90-D92 PolarHBondContact O-N 2.83Å; D90-D92 PolarHBondContact OD1-N 2.77Å; D92-E94 PolarHBondContact O-N 2.87Å |
| 93 | D | 59.3 | Low | 71.8 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 60% | 0.599 | 57% | 0.57 | S | S | * | * | trans | -86.2 | 53.9 | 173.6 | -161.1 | 13.3 | 0 | 0 | 0 | 111.7 | D90 G95 | D90-D93 PolarHBondContact O-N 2.79Å; D93-G95 PolarHBondContact O-N 2.96Å | ||
| 94 | E | 71.9 | Confident | 73.9 | Confident | 104 Ų | 104 | 106.1 Ų | 106.1 | 49% | 0.486 | 57% | 0.566 | S | S | . | * | trans | -72.4 | 7.8 | -172.3 | -130.9 | -172.8 | 145.2 | 0 | 0 | 114.4 | W64 D92 R128 | W64-E94 VanDerWaalsContact CE3-O 3.28Å; W64-E94 HydrophobicContact CZ3-CB 4.47Å; D92-E94 PolarHBondContact O-N 2.87Å; E94-R128 PolarHBondContact O-NH2 2.79Å; E94-R128 IonicContact OE1-CZ 2.79Å; E94-R128 IonicContact OE1-NH1 3.91Å; E94-R128 PolarHBondContact OE1-NH1 3.44Å | ||
| 95 | G | 85.7 | Confident | 76 | Confident | 19 Ų | 19 | 99.5 Ų | 99.5 | 20% | 0.196 | 54% | 0.542 | C | S | . | . | trans | 83.2 | 177.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W64 F65 D93 | W64-G95 WeakPolarHBondContact CZ3-O 3.4Å; F65-G95 CarbonylContact O-C 3.56Å; F65-G95 WeakPolarHBondContact O-CA 3.33Å; D93-G95 PolarHBondContact O-N 2.96Å | ||
| 96 | T | 93 | Very high | 78.5 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.5 | 176.5 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | W64 F65 I98 | W64-T96 CarbonylContact C-O 3.49Å; W64-T96 WeakPolarHBondContact CA-O 3.41Å; F65-T96 PolarHBondContact N-O 3.18Å; F65-T96 PolarHBondContact O-N 3.27Å; T96-I98 PolarHBondContact O-N 2.92Å |
| 97 | K | 95.3 | Very high | 80.4 | Confident | 109 Ų | 109 | 92.7 Ų | 92.7 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 119.2 | 173.5 | -171.9 | 171.4 | 66.3 | -172.7 | 0 | 110.8 | W64 | W64-K97 HydrophobicContact CD2-CB 3.96Å; W64-K97 HydrophobicContact CD2-CG 4.43Å; W64-K97 HydrophobicContact CE3-CB 4.06Å; W64-K97 HydrophobicContact CH2-CB 3.88Å; W64-K97 HydrophobicContact CZ2-CB 3.75Å; W64-K97 HydrophobicContact CZ2-CD 3.94Å; W64-K97 HydrophobicContact CZ2-CG 4.06Å; W64-K97 HydrophobicContact CZ3-CB 4.02Å |
| 98 | I | 95.8 | Very high | 82.4 | Confident | 74 Ų | 74 | 88.1 Ų | 88.1 | 38% | 0.379 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -46.1 | -178.3 | -47.8 | 174 | 0 | 0 | 0 | 110.9 | W63 F65 T96 L112 Y125 | W63-I98 HydrophobicContact CB-CB 4.19Å; W63-I98 HydrophobicContact CB-CD1 4.46Å; W63-I98 WeakPolarHBondContact O-CB 3.32Å; W63-I98 PolarHBondContact O-N 2.86Å; F65-I98 HydrophobicContact CB-CD1 3.93Å; F65-I98 HydrophobicContact CB-CG1 4.19Å; T96-I98 PolarHBondContact O-N 2.92Å; I98-L112 HydrophobicContact CB-CD1 4.41Å; I98-L112 HydrophobicContact CD1-CD1 4.23Å; I98-L112 HydrophobicContact CD1-CD2 3.81Å; I98-L112 HydrophobicContact CG2-CD1 3.67Å; I98-Y125 HydrophobicContact CD1-CD1 3.71Å; I98-Y125 HydrophobicContact CD1-CE1 3.65Å |
| 99 | S | 97.6 | Very high | 84.6 | Confident | 31 Ų | 31 | 84 Ų | 84 | 22% | 0.217 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 156.7 | -179 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | Q62 W63 H110 | Q62-S99 CarbonylContact C-O 3.56Å; Q62-S99 VanDerWaalsContact CA-O 3.25Å; Q62-S99 WeakPolarHBondContact CA-O 3.34Å; W63-S99 PolarHBondContact N-O 3.33Å; W63-S99 PolarHBondContact O-N 2.78Å; S99-H110 PolarHBondContact OG-NE2 2.88Å |
| 100 | T | 97.8 | Very high | 86.4 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 39% | 0.393 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141.1 | 175.7 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | E60 I61 | E60-T100 PolarHBondContact OE1-OG1 3.07Å; I61-T100 CarbonylContact O-C 3.42Å; I61-T100 WeakPolarHBondContact O-CA 3.5Å |
| 101 | V | 98.3 | Very high | 88.8 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 30% | 0.303 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.1 | 172.3 | 176.9 | 0 | 0 | 0 | 0 | 108 | E60 I61 V103 I108 | E60-V101 CarbonylContact C-O 3.53Å; E60-V101 WeakPolarHBondContact CA-O 3.33Å; I61-V101 HydrophobicContact CG2-CB 3.79Å; I61-V101 PolarHBondContact N-O 2.97Å; I61-V101 PolarHBondContact O-N 2.81Å; V101-V103 HydrophobicContact CG1-CG1 4.27Å; V101-I108 WeakPolarHBondContact O-CD1 3.36Å |
| 102 | K | 97.9 | Very high | 90.9 | Very high | 112 Ų | 112 | 75.9 Ų | 75.9 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.3 | 179.7 | -176.4 | 171.1 | -179.1 | 144.2 | 0 | 110.3 | Y58 L59 E60 | Y58-K102 HydrophobicContact CD2-CD 4.09Å; Y58-K102 HydrophobicContact CD2-CG 4.1Å; Y58-K102 HydrophobicContact CE2-CD 4.42Å; L59-K102 WeakPolarHBondContact O-CA 3.25Å; E60-K102 HydrophobicContact CB-CB 4.44Å; E60-K102 HydrophobicContact CB-CG 4.39Å; E60-K102 HydrophobicContact CG-CB 4.32Å; E60-K102 IonicContact OE2-NZ 2.66Å |
| 103 | V | 97.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 75.8 Ų | 75.8 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.8 | -179.8 | -55.1 | 0 | 0 | 0 | 0 | 111 | Y58 L59 V101 I108 | Y58-V103 VanDerWaalsContact CA-O 3.32Å; Y58-V103 WeakPolarHBondContact CA-O 3.38Å; Y58-V103 WeakPolarHBondContact CB-O 3.38Å; L59-V103 HydrophobicContact CB-CG2 4.28Å; L59-V103 PolarHBondContact N-O 2.82Å; L59-V103 PolarHBondContact O-N 3.3Å; V101-V103 HydrophobicContact CG1-CG1 4.27Å; V103-I108 HydrophobicContact CG1-CD1 4.36Å; V103-I108 HydrophobicContact CG1-CG1 4.34Å; V103-I108 HydrophobicContact CG2-CB 4Å; V103-I108 HydrophobicContact CG2-CD1 3.84Å; V103-I108 HydrophobicContact CG2-CG1 3.84Å |
| 104 | Q | 94.9 | Very high | 94.8 | Very high | 184 Ų | 184 | 71.5 Ų | 71.5 | 86% | 0.86 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -87.3 | 125.8 | 162.2 | -67.7 | -179 | -12 | 0 | 0 | 107.7 | ||
| 105 | G | 89.5 | Confident | 96 | Very high | 28 Ų | 28 | 70.2 Ų | 70.2 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 144.1 | -172.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 106 | N | 94.7 | Very high | 96.5 | Very high | 67 Ų | 67 | 78.5 Ų | 78.5 | 36% | 0.358 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -112.2 | -4.4 | -174.2 | -60.1 | -28.2 | 0 | 0 | 0 | 113 | Q51 S52 T54 A55 S56 L59 | Q51-N106 CarbonylContact C-O 3.59Å; Q51-N106 WeakPolarHBondContact CA-O 3.49Å; S52-N106 PolarHBondContact N-O 2.88Å; S52-N106 WeakPolarHBondContact OG-CA 3.27Å; S52-N106 WeakPolarHBondContact OG-CB 3.42Å; S52-N106 PolarHBondContact OG-O 2.81Å; T54-N106 PolarHBondContact O-OD1 2.74Å; A55-N106 VanDerWaalsContact CA-OD1 3.31Å; A55-N106 WeakPolarHBondContact CA-OD1 3.2Å; S56-N106 PolarHBondContact N-OD1 3.44Å; L59-N106 VanDerWaalsContact CD1-C 3.44Å |
| 107 | D | 96.3 | Very high | 96.6 | Very high | 95 Ų | 95 | 74 Ų | 74 | 51% | 0.508 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.8 | 179.9 | -56.4 | -61.4 | 0 | 0 | 0 | 108.8 | F50 Q51 | F50-D107 WeakPolarHBondContact O-CA 3.37Å; Q51-D107 WeakPolarHBondContact CB-OD1 3.31Å; Q51-D107 WeakPolarHBondContact CG-OD1 3.35Å; Q51-D107 PolarHBondContact NE2-OD1 2.9Å |
| 108 | I | 98.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.051 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 143.1 | 175.9 | -163.5 | 171.3 | 0 | 0 | 0 | 109.6 | A49 F50 L59 I61 V101 V103 V129 | A49-I108 CarbonylContact C-O 3.53Å; A49-I108 VanDerWaalsContact CA-O 3.29Å; A49-I108 WeakPolarHBondContact CA-O 3.35Å; F50-I108 HydrophobicContact CB-CG2 4.06Å; F50-I108 PolarHBondContact N-O 2.95Å; F50-I108 PolarHBondContact O-N 3.08Å; L59-I108 HydrophobicContact CB-CB 4.09Å; L59-I108 HydrophobicContact CB-CD1 4.05Å; L59-I108 HydrophobicContact CB-CG2 4.01Å; L59-I108 HydrophobicContact CD1-CB 4.11Å; L59-I108 HydrophobicContact CD1-CG2 3.95Å; I61-I108 HydrophobicContact CB-CD1 3.75Å; I61-I108 HydrophobicContact CB-CG1 4.19Å; I61-I108 HydrophobicContact CB-CG2 4.28Å; I61-I108 HydrophobicContact CG2-CD1 3.38Å; I61-I108 HydrophobicContact CG2-CG1 3.68Å; V101-I108 WeakPolarHBondContact O-CD1 3.36Å; V103-I108 HydrophobicContact CG1-CD1 4.36Å; V103-I108 HydrophobicContact CG1-CG1 4.34Å; V103-I108 HydrophobicContact CG2-CB 4Å; V103-I108 HydrophobicContact CG2-CD1 3.84Å; V103-I108 HydrophobicContact CG2-CG1 3.84Å; I108-V129 HydrophobicContact CG2-CG1 4.21Å |
| 109 | S | 98.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 71.8 Ų | 71.8 | 62% | 0.622 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143 | 146.5 | 173.1 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | C48 | C48-S109 CarbonylContact O-C 3.59Å; C48-S109 WeakPolarHBondContact O-CA 3.32Å |
| 110 | H | 98.6 | Very high | 96.1 | Very high | 40 Ų | 40 | 77 Ų | 77 | 19% | 0.185 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 144.8 | 178.9 | -170.1 | 30.7 | 0 | 0 | 0 | 111.1 | C48 I61 W63 S99 | C48-H110 PolarHBondContact N-O 2.97Å; C48-H110 PolarHBondContact O-N 2.79Å; I61-H110 HydrophobicContact CD1-CB 3.88Å; I61-H110 HydrophobicContact CG1-CB 4.17Å; I61-H110 HydrophobicContact CG2-CB 3.55Å; W63-H110 AromaticContact CD1-CD2 3.27Å; W63-H110 AromaticContact CD1-NE2 3.72Å; W63-H110 AromaticContact NE1-CD2 3.71Å; S99-H110 PolarHBondContact OG-NE2 2.88Å |
| 111 | K | 98.3 | Very high | 95.9 | Very high | 110 Ų | 110 | 76 Ų | 76 | 48% | 0.478 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.9 | -175.7 | -72.6 | 176.1 | 163.9 | -151.5 | 0 | 109.9 | E45 M46 A47 | E45-K111 HydrophobicContact CG-CB 4.22Å; E45-K111 HydrophobicContact CG-CD 4.37Å; E45-K111 HydrophobicContact CG-CG 4.49Å; E45-K111 VanDerWaalsContact OE1-CD 3.31Å; E45-K111 WeakPolarHBondContact OE1-CD 3.4Å; E45-K111 WeakPolarHBondContact OE1-CE 3.42Å; E45-K111 IonicContact OE1-NZ 3.4Å; E45-K111 PolarHBondContact OE1-NZ 3.16Å; M46-K111 CarbonylContact O-C 3.53Å; M46-K111 VanDerWaalsContact O-CA 3.29Å; M46-K111 WeakPolarHBondContact O-CA 3.48Å; A47-K111 HydrophobicContact CB-CG 3.95Å |
| 112 | L | 98.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 76.2 Ų | 76.2 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.5 | 169.4 | -179.5 | 63.2 | 0 | 0 | 0 | 109.1 | E45 M46 W63 I98 I114 Y125 | E45-L112 CarbonylContact C-O 3.58Å; E45-L112 VanDerWaalsContact CA-O 3.27Å; E45-L112 WeakPolarHBondContact CA-O 3.45Å; M46-L112 HydrophobicContact CB-CB 4.47Å; M46-L112 HydrophobicContact CE-CD2 3.71Å; M46-L112 PolarHBondContact N-O 3.19Å; M46-L112 PolarHBondContact O-N 3.39Å; W63-L112 HydrophobicContact CD2-CB 3.74Å; W63-L112 HydrophobicContact CD2-CD2 4.24Å; W63-L112 HydrophobicContact CE3-CB 4.29Å; W63-L112 HydrophobicContact CE3-CD2 4.1Å; W63-L112 HydrophobicContact CG-CB 3.91Å; W63-L112 HydrophobicContact CG-CD2 4.48Å; W63-L112 HydrophobicContact CH2-CB 4.45Å; W63-L112 HydrophobicContact CZ2-CB 4.02Å; I98-L112 HydrophobicContact CB-CD1 4.41Å; I98-L112 HydrophobicContact CD1-CD1 4.23Å; I98-L112 HydrophobicContact CD1-CD2 3.81Å; I98-L112 HydrophobicContact CG2-CD1 3.67Å; L112-I114 HydrophobicContact CD2-CD1 4.18Å; L112-I114 HydrophobicContact CD2-CG1 4.34Å; L112-I114 HydrophobicContact CG-CG1 4.17Å; L112-Y125 HydrophobicContact CD2-CD1 3.45Å; L112-Y125 VanDerWaalsContact CD2-CD1 3.45Å; L112-Y125 HydrophobicContact CD2-CE1 3.72Å; L112-Y125 HydrophobicContact CD2-CG 4.39Å |
| 113 | Q | 97.9 | Very high | 95.6 | Very high | 142 Ų | 142 | 70.9 Ų | 70.9 | 66% | 0.664 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.8 | 175.8 | -67.5 | -177.7 | -29.9 | 0 | 0 | 109.3 | I44 E45 | I44-Q113 WeakPolarHBondContact O-CA 3.23Å; E45-Q113 HydrophobicContact CB-CG 4.42Å; E45-Q113 HydrophobicContact CG-CG 4.1Å; E45-Q113 PolarHBondContact OE2-NE2 3.24Å |
| 114 | I | 96.4 | Very high | 95.5 | Very high | 22 Ų | 22 | 70.3 Ų | 70.3 | 11% | 0.113 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.4 | 176.1 | -47.7 | 179.6 | 0 | 0 | 0 | 107.8 | N43 I44 L112 V117 Y125 L146 | N43-I114 CarbonylContact C-O 3.51Å; N43-I114 VanDerWaalsContact CA-O 3.31Å; N43-I114 WeakPolarHBondContact CA-O 3.41Å; I44-I114 HydrophobicContact CD1-CB 4.21Å; I44-I114 HydrophobicContact CD1-CD1 3.99Å; I44-I114 HydrophobicContact CD1-CG1 4.03Å; I44-I114 HydrophobicContact CG1-CB 3.85Å; I44-I114 HydrophobicContact CG1-CD1 4.42Å; I44-I114 HydrophobicContact CG1-CG1 4.25Å; I44-I114 PolarHBondContact N-O 2.66Å; I44-I114 PolarHBondContact O-N 2.9Å; L112-I114 HydrophobicContact CD2-CD1 4.18Å; L112-I114 HydrophobicContact CD2-CG1 4.34Å; L112-I114 HydrophobicContact CG-CG1 4.17Å; I114-V117 HydrophobicContact CB-CG2 4.14Å; I114-V117 HydrophobicContact CG2-CG2 3.9Å; I114-Y125 HydrophobicContact CD1-CE1 3.65Å; I114-Y125 HydrophobicContact CD1-CE2 4.43Å; I114-Y125 VanDerWaalsContact CD1-OH 3.23Å; I114-Y125 WeakPolarHBondContact CD1-OH 3.37Å; I114-L146 HydrophobicContact CD1-CD2 4.14Å |
| 115 | S | 96.6 | Very high | 95.6 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 53% | 0.531 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -98.8 | 141.9 | 179.7 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | N43 V117 | N43-S115 VanDerWaalsContact OD1-CA 3.24Å; N43-S115 WeakPolarHBondContact OD1-CA 3.29Å; S115-V117 PolarHBondContact O-N 2.8Å |
| 116 | R | 95.6 | Very high | 95.9 | Very high | 194 Ų | 194 | 60.9 Ų | 60.9 | 73% | 0.732 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 51.4 | 55.1 | 177.9 | -60.2 | -179.2 | -68.4 | -163.9 | -2.3 | 112.1 | Q42 N43 S118 | Q42-R116 PolarHBondContact O-N 2.82Å; N43-R116 PolarHBondContact OD1-N 3.47Å; R116-S118 PolarHBondContact O-N 2.78Å |
| 117 | V | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -50.3 | 131.2 | -178.7 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | V38 E40 G41 Q42 I44 I114 S115 D121 L146 V148 | V38-V117 HydrophobicContact CG2-CB 4.33Å; V38-V117 HydrophobicContact CG2-CG1 3.79Å; E40-V117 CarbonylContact C-O 3.55Å; E40-V117 VanDerWaalsContact CA-O 3.32Å; E40-V117 WeakPolarHBondContact CA-O 3.5Å; G41-V117 PolarHBondContact N-O 3.48Å; Q42-V117 WeakPolarHBondContact O-CB 3.32Å; Q42-V117 VanDerWaalsContact O-CG2 3.3Å; Q42-V117 WeakPolarHBondContact O-CG2 3.49Å; Q42-V117 PolarHBondContact O-N 3.06Å; I44-V117 HydrophobicContact CB-CG2 4.47Å; I44-V117 HydrophobicContact CG1-CG2 3.82Å; I44-V117 HydrophobicContact CG2-CG2 3.96Å; I114-V117 HydrophobicContact CB-CG2 4.14Å; I114-V117 HydrophobicContact CG2-CG2 3.9Å; S115-V117 PolarHBondContact O-N 2.8Å; V117-D121 HydrophobicContact CG1-CB 4.17Å; V117-L146 HydrophobicContact CG1-CD2 4.37Å; V117-V148 HydrophobicContact CG1-CB 4.28Å; V117-V148 HydrophobicContact CG1-CG1 3.89Å; V117-V148 HydrophobicContact CG1-CG2 3.35Å | ||
| 118 | S | 94.4 | Very high | 96.2 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 25% | 0.245 | 27% | 0.268 | C | S | . | . | trans | -117 | 170.1 | -179.6 | 73 | 0 | 0 | 0 | 0 | 110.5 | R116 N120 D121 V148 | R116-S118 PolarHBondContact O-N 2.78Å; S118-N120 PolarHBondContact O-N 3.01Å; S118-N120 VanDerWaalsContact O-N 3.16Å; S118-N120 PolarHBondContact OG-N 2.64Å; S118-D121 WeakPolarHBondContact CA-OD2 3.08Å; S118-D121 WeakPolarHBondContact CB-OD2 3.37Å; S118-D121 PolarHBondContact N-OD2 3.4Å; S118-D121 PolarHBondContact O-N 3.3Å; S118-D121 PolarHBondContact OG-OD2 2.72Å; S118-V148 WeakPolarHBondContact O-CG2 3.2Å | ||
| 119 | K | 92.3 | Very high | 96.2 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 44% | 0.443 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -61.1 | -23.5 | 176.5 | -171.5 | 61.7 | -175.5 | 178.9 | 0 | 112.9 | D121 E122 | K119-D121 VanDerWaalsContact C-N 3.27Å; K119-D121 PolarHBondContact O-N 2.84Å; K119-E122 WeakPolarHBondContact CE-OE2 3.21Å; K119-E122 IonicContact NZ-OE1 2.64Å; K119-E122 PolarHBondContact NZ-OE1 2.73Å; K119-E122 IonicContact NZ-OE2 3.01Å; K119-E122 PolarHBondContact NZ-OE2 3.24Å; K119-E122 VanDerWaalsContact O-CB 3.29Å; K119-E122 WeakPolarHBondContact O-CB 3.45Å; K119-E122 PolarHBondContact O-N 3.39Å |
| 120 | N | 91.6 | Very high | 96.1 | Very high | 141 Ų | 141 | 49.8 Ų | 49.8 | 75% | 0.754 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -75.2 | -17.3 | 178 | -62.1 | -13.1 | 0 | 0 | 0 | 113.2 | S118 | S118-N120 PolarHBondContact O-N 3.01Å; S118-N120 VanDerWaalsContact O-N 3.16Å; S118-N120 PolarHBondContact OG-N 2.64Å |
| 121 | D | 94 | Very high | 95.9 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -85.8 | -0.7 | 175.4 | -54.7 | -63.4 | 0 | 0 | 0 | 111.4 | V117 S118 K119 G123 Y125 L146 | V117-D121 HydrophobicContact CG1-CB 4.17Å; S118-D121 WeakPolarHBondContact CA-OD2 3.08Å; S118-D121 WeakPolarHBondContact CB-OD2 3.37Å; S118-D121 PolarHBondContact N-OD2 3.4Å; S118-D121 PolarHBondContact O-N 3.3Å; S118-D121 PolarHBondContact OG-OD2 2.72Å; K119-D121 VanDerWaalsContact C-N 3.27Å; K119-D121 PolarHBondContact O-N 2.84Å; D121-G123 PolarHBondContact O-N 3.23Å; D121-Y125 WeakPolarHBondContact O-CE2 3.43Å; D121-Y125 PolarHBondContact O-OH 3.47Å; D121-L146 HydrophobicContact CB-CD2 4.47Å; D121-L146 WeakPolarHBondContact O-CD2 3.33Å |
| 122 | E | 94.9 | Very high | 95.7 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 26% | 0.257 | 22% | 0.215 | S | C | . | . | trans | -70.9 | 127.5 | 173.7 | 179.3 | 159.1 | 134.8 | 0 | 0 | 110.7 | K119 L146 V148 | K119-E122 WeakPolarHBondContact CE-OE2 3.21Å; K119-E122 IonicContact NZ-OE1 2.64Å; K119-E122 PolarHBondContact NZ-OE1 2.73Å; K119-E122 IonicContact NZ-OE2 3.01Å; K119-E122 PolarHBondContact NZ-OE2 3.24Å; K119-E122 VanDerWaalsContact O-CB 3.29Å; K119-E122 WeakPolarHBondContact O-CB 3.45Å; K119-E122 PolarHBondContact O-N 3.39Å; E122-L146 WeakPolarHBondContact CA-O 3.21Å; E122-L146 WeakPolarHBondContact CG-O 3.07Å; E122-V148 HydrophobicContact CB-CB 4.42Å; E122-V148 HydrophobicContact CB-CG2 4.1Å; E122-V148 PolarHBondContact OE2-N 3.05Å | ||
| 123 | G | 94.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.6 | -167.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | D121 L146 | D121-G123 PolarHBondContact O-N 3.23Å; G123-L146 PolarHBondContact N-O 3.11Å; G123-L146 PolarHBondContact O-N 3.27Å |
| 124 | L | 95.4 | Very high | 94.9 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 18% | 0.183 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.5 | -179.7 | -174.9 | 68.1 | 0 | 0 | 0 | 109.8 | V66 Q143 W145 | V66-L124 HydrophobicContact CB-CB 4.18Å; V66-L124 HydrophobicContact CB-CD2 4.19Å; V66-L124 HydrophobicContact CB-CG 4.38Å; V66-L124 HydrophobicContact CG1-CD2 4.3Å; V66-L124 PolarHBondContact N-O 2.75Å; V66-L124 PolarHBondContact O-N 2.91Å; V66-L124 VanDerWaalsContact O-O 3.13Å; L124-Q143 HydrophobicContact CD1-CB 4.07Å; L124-W145 HydrophobicContact CB-CE3 3.86Å; L124-W145 HydrophobicContact CB-CZ3 3.94Å; L124-W145 HydrophobicContact CD1-CE3 4.06Å |
| 125 | Y | 96.6 | Very high | 94.4 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.9 | 174 | -69.9 | -95.4 | 0 | 0 | 0 | 109.6 | M46 W64 F65 I98 L112 I114 D121 Q143 A144 L146 | M46-Y125 HydrophobicContact CE-CD1 3.82Å; M46-Y125 HydrophobicContact CE-CD2 3.8Å; M46-Y125 HydrophobicContact CE-CE1 4.37Å; M46-Y125 HydrophobicContact CE-CE2 4.36Å; M46-Y125 HydrophobicContact CE-CG 3.49Å; M46-Y125 VanDerWaalsContact CE-CG 3.49Å; W64-Y125 WeakPolarHBondContact O-CA 3.43Å; F65-Y125 HydrophobicContact CB-CE1 4.36Å; F65-Y125 HydrophobicContact CD2-CD1 4.17Å; F65-Y125 HydrophobicContact CD2-CD2 4.31Å; F65-Y125 AromaticContact CD2-CE1 3.69Å; F65-Y125 HydrophobicContact CD2-CE1 3.69Å; F65-Y125 AromaticContact CD2-CE2 3.83Å; F65-Y125 HydrophobicContact CD2-CE2 3.83Å; F65-Y125 HydrophobicContact CD2-CG 4.47Å; F65-Y125 AromaticContact CD2-CZ 3.51Å; F65-Y125 HydrophobicContact CE2-CE1 4.5Å; F65-Y125 AromaticContact CE2-CE2 3.94Å; F65-Y125 HydrophobicContact CE2-CE2 3.94Å; F65-Y125 AromaticContact CE2-CZ 3.87Å; F65-Y125 HydrophobicContact CG-CE1 4.45Å; I98-Y125 HydrophobicContact CD1-CD1 3.71Å; I98-Y125 HydrophobicContact CD1-CE1 3.65Å; L112-Y125 HydrophobicContact CD2-CD1 3.45Å; L112-Y125 VanDerWaalsContact CD2-CD1 3.45Å; L112-Y125 HydrophobicContact CD2-CE1 3.72Å; L112-Y125 HydrophobicContact CD2-CG 4.39Å; I114-Y125 HydrophobicContact CD1-CE1 3.65Å; I114-Y125 HydrophobicContact CD1-CE2 4.43Å; I114-Y125 VanDerWaalsContact CD1-OH 3.23Å; I114-Y125 WeakPolarHBondContact CD1-OH 3.37Å; D121-Y125 WeakPolarHBondContact O-CE2 3.43Å; D121-Y125 PolarHBondContact O-OH 3.47Å; Y125-Q143 CarbonylContact O-C 3.57Å; Y125-Q143 WeakPolarHBondContact O-CA 3.38Å; Y125-A144 PolarHBondContact N-O 2.97Å; Y125-A144 PolarHBondContact O-N 3.03Å; Y125-L146 HydrophobicContact CD2-CB 3.89Å; Y125-L146 HydrophobicContact CE2-CB 3.62Å; Y125-L146 HydrophobicContact CE2-CD2 3.76Å; Y125-L146 HydrophobicContact CE2-CG 4.3Å |
| 126 | E | 96.9 | Very high | 94 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.9 | -178 | -174.5 | 170.8 | 78.8 | 0 | 0 | 110.9 | W63 W64 V66 R128 K141 A142 Q143 | W63-E126 WeakPolarHBondContact CA-O 3.01Å; W64-E126 HydrophobicContact CB-CB 4.34Å; W64-E126 PolarHBondContact N-O 3.31Å; W64-E126 PolarHBondContact O-N 2.81Å; V66-E126 HydrophobicContact CG2-CB 4.13Å; E126-R128 HydrophobicContact CG-CG 3.97Å; E126-R128 IonicContact OE1-CZ 2.79Å; E126-R128 VanDerWaalsContact OE1-CZ 3.25Å; E126-R128 IonicContact OE1-NE 3.99Å; E126-R128 PolarHBondContact OE1-NE 2.89Å; E126-R128 IonicContact OE1-NH2 2.79Å; E126-R128 PolarHBondContact OE1-NH2 2.78Å; E126-K141 HydrophobicContact CG-CB 4.44Å; E126-K141 IonicContact OE1-NZ 3.84Å; E126-A142 WeakPolarHBondContact CA-O 3.42Å; E126-Q143 HydrophobicContact CB-CG 4.14Å; E126-Q143 HydrophobicContact CG-CG 3.9Å; E126-Q143 WeakPolarHBondContact OE2-CG 2.75Å; E126-Q143 PolarHBondContact OE2-NE2 2.8Å |
| 127 | C | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 114.7 | 166.2 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | C48 Q62 W63 K141 A142 | C48-C127 HydrophobicContact CB-CB 3.68Å; C48-C127 WeakPolarHBondContact CB-SG 3.11Å; C48-C127 WeakPolarHBondContact SG-CB 3.37Å; C48-C127 CovalentContact SG-SG 2.03Å; C48-C127 PolarHBondContact SG-SG 2.93Å; Q62-C127 WeakPolarHBondContact O-CA 3.04Å; W63-C127 HydrophobicContact CE3-CB 4.34Å; W63-C127 HydrophobicContact CH2-CB 4.32Å; W63-C127 HydrophobicContact CZ2-CB 4.49Å; W63-C127 HydrophobicContact CZ3-CB 4.21Å; C127-K141 CarbonylContact O-C 3.49Å; C127-K141 WeakPolarHBondContact O-CA 3.48Å; C127-A142 HydrophobicContact CB-CB 4.5Å; C127-A142 PolarHBondContact N-O 2.95Å; C127-A142 PolarHBondContact O-N 2.85Å |
| 128 | R | 97.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.3 | 173.7 | -56.8 | -172.3 | -176.1 | 176.1 | 2.1 | 109.3 | I61 Q62 E94 E126 Y140 K141 | I61-R128 CarbonylContact C-O 3.57Å; I61-R128 WeakPolarHBondContact CA-O 3.26Å; Q62-R128 HydrophobicContact CB-CB 4.49Å; Q62-R128 PolarHBondContact N-O 3.35Å; Q62-R128 PolarHBondContact O-N 3.38Å; E94-R128 PolarHBondContact O-NH2 2.79Å; E94-R128 IonicContact OE1-CZ 2.79Å; E94-R128 IonicContact OE1-NH1 3.91Å; E94-R128 PolarHBondContact OE1-NH1 3.44Å; E126-R128 HydrophobicContact CG-CG 3.97Å; E126-R128 IonicContact OE1-CZ 2.79Å; E126-R128 VanDerWaalsContact OE1-CZ 3.25Å; E126-R128 IonicContact OE1-NE 3.99Å; E126-R128 PolarHBondContact OE1-NE 2.89Å; E126-R128 IonicContact OE1-NH2 2.79Å; E126-R128 PolarHBondContact OE1-NH2 2.78Å; R128-Y140 CarbonylContact C-O 3.58Å; R128-Y140 WeakPolarHBondContact CA-O 3.47Å; R128-K141 HydrophobicContact CG-CG 4.3Å |
| 129 | V | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.4 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | F29 F50 E60 I61 I108 E139 Y140 | F29-V129 HydrophobicContact CE1-CG2 3.82Å; F29-V129 HydrophobicContact CZ-CG2 4.37Å; F50-V129 HydrophobicContact CB-CB 4.38Å; F50-V129 HydrophobicContact CB-CG1 4.03Å; F50-V129 HydrophobicContact CB-CG2 3.9Å; F50-V129 HydrophobicContact CD1-CB 4.47Å; F50-V129 HydrophobicContact CD1-CG1 3.59Å; F50-V129 HydrophobicContact CD2-CB 4.44Å; F50-V129 HydrophobicContact CD2-CG1 4.39Å; F50-V129 HydrophobicContact CE1-CG1 4.09Å; F50-V129 HydrophobicContact CG-CB 4.19Å; F50-V129 HydrophobicContact CG-CG1 3.75Å; F50-V129 HydrophobicContact CG-CG2 4.23Å; E60-V129 CarbonylContact O-C 3.54Å; E60-V129 VanDerWaalsContact O-CA 3.27Å; E60-V129 WeakPolarHBondContact O-CA 3.41Å; I61-V129 HydrophobicContact CB-CG2 4.13Å; I61-V129 HydrophobicContact CD1-CG2 3.97Å; I61-V129 HydrophobicContact CG1-CG2 3.8Å; I108-V129 HydrophobicContact CG2-CG1 4.21Å; V129-E139 CarbonylContact O-C 3.45Å; V129-E139 WeakPolarHBondContact O-CA 3.37Å; V129-Y140 PolarHBondContact N-O 3.01Å; V129-Y140 PolarHBondContact O-N 3.35Å |
| 130 | T | 97.1 | Very high | 93.9 | Very high | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.7 | 173.6 | -49.7 | 0 | 0 | 0 | 0 | 109.6 | L59 E60 I137 V138 | L59-T130 WeakPolarHBondContact CA-O 3.29Å; E60-T130 PolarHBondContact N-O 3.42Å; E60-T130 PolarHBondContact O-N 2.8Å; T130-I137 HydrophobicContact CG2-CG2 3.41Å; T130-I137 VanDerWaalsContact CG2-CG2 3.41Å; T130-V138 CarbonylContact C-O 3.57Å; T130-V138 WeakPolarHBondContact CA-O 3.42Å |
| 131 | R | 95.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 6% | 0.06 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 117.5 | 169.3 | -179.3 | -176.7 | 74.9 | 173.7 | 2.8 | 109.1 | S52 T54 S56 L59 E136 I137 V138 Y140 | S52-R131 PolarHBondContact O-NH1 3.47Å; T54-R131 PolarHBondContact OG1-NH1 3.4Å; S56-R131 WeakPolarHBondContact OG-CG 3.16Å; L59-R131 HydrophobicContact CD2-CB 3.82Å; L59-R131 HydrophobicContact CD2-CG 3.8Å; R131-E136 IonicContact CZ-OE1 3.99Å; R131-E136 IonicContact NH2-OE1 2.83Å; R131-E136 PolarHBondContact NH2-OE1 3.05Å; R131-E136 IonicContact NH2-OE2 3.86Å; R131-I137 WeakPolarHBondContact O-CA 3.31Å; R131-V138 PolarHBondContact N-O 3.47Å; R131-V138 PolarHBondContact O-N 3.03Å; R131-Y140 HydrophobicContact CB-CE2 4.22Å |
| 132 | A | 94 | Very high | 94.3 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V57 Y58 I137 | V57-A132 WeakPolarHBondContact CB-O 3.37Å; V57-A132 PolarHBondContact N-O 2.99Å; Y58-A132 HydrophobicContact CD1-CB 3.67Å; Y58-A132 HydrophobicContact CD2-CB 4.04Å; Y58-A132 HydrophobicContact CE1-CB 3.2Å; Y58-A132 HydrophobicContact CE2-CB 3.63Å; Y58-A132 HydrophobicContact CG-CB 4.06Å; Y58-A132 PolarHBondContact N-O 2.03Å; Y58-A132 PolarHBondContact O-N 2.85Å; Y58-A132 VanDerWaalsContact O-N 3.08Å; A132-I137 HydrophobicContact CB-CG1 4.35Å |
| 133 | N | 90.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 49 Ų | 49 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 170.2 | 171.6 | -150.6 | -19.7 | 0 | 0 | 0 | 109.8 | A55 G135 E136 | A55-N133 PolarHBondContact O-ND2 2.85Å; N133-G135 PolarHBondContact O-N 2.81Å; N133-E136 HydrophobicContact CB-CB 4.47Å; N133-E136 PolarHBondContact N-O 2.91Å; N133-E136 PolarHBondContact O-N 3.49Å; N133-E136 VanDerWaalsContact O-N 3.08Å |
| 134 | Y | 87.6 | Confident | 94.5 | Very high | 209 Ų | 209 | 49 Ų | 49 | 82% | 0.82 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 104.9 | -179.3 | -65.5 | -79.8 | 0 | 0 | 0 | 111.2 | V57 | V57-Y134 HydrophobicContact CG2-CD2 3.92Å; V57-Y134 HydrophobicContact CG2-CE2 3.67Å; V57-Y134 HydrophobicContact CG2-CG 4.47Å |
| 135 | G | 85.3 | Confident | 94.5 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 97% | 0.969 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 3.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | N133 | N133-G135 PolarHBondContact O-N 2.81Š|
| 136 | E | 89.1 | Confident | 94.5 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 40% | 0.402 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 127.9 | -179.7 | -167.7 | -166.8 | 162.1 | 0 | 0 | 110.5 | R131 N133 V138 | R131-E136 IonicContact CZ-OE1 3.99Å; R131-E136 IonicContact NH2-OE1 2.83Å; R131-E136 PolarHBondContact NH2-OE1 3.05Å; R131-E136 IonicContact NH2-OE2 3.86Å; N133-E136 HydrophobicContact CB-CB 4.47Å; N133-E136 PolarHBondContact N-O 2.91Å; N133-E136 PolarHBondContact O-N 3.49Å; N133-E136 VanDerWaalsContact O-N 3.08Å; E136-V138 HydrophobicContact CG-CG2 3.84Å; E136-V138 WeakPolarHBondContact OE1-CG2 3.48Å |
| 137 | I | 92.4 | Very high | 94.5 | Very high | 122 Ų | 122 | 57.2 Ų | 57.2 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 119.6 | 169.9 | -60.5 | 178 | 0 | 0 | 0 | 106.9 | T130 R131 A132 | T130-I137 HydrophobicContact CG2-CG2 3.41Å; T130-I137 VanDerWaalsContact CG2-CG2 3.41Å; R131-I137 WeakPolarHBondContact O-CA 3.31Å; A132-I137 HydrophobicContact CB-CG1 4.35Å |
| 138 | V | 93.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.6 | 179 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | T130 R131 E136 Y140 | T130-V138 CarbonylContact C-O 3.57Å; T130-V138 WeakPolarHBondContact CA-O 3.42Å; R131-V138 PolarHBondContact N-O 3.47Å; R131-V138 PolarHBondContact O-N 3.03Å; E136-V138 HydrophobicContact CG-CG2 3.84Å; E136-V138 WeakPolarHBondContact OE1-CG2 3.48Å; V138-Y140 HydrophobicContact CB-CE2 3.94Å; V138-Y140 HydrophobicContact CG1-CD2 4.2Å; V138-Y140 HydrophobicContact CG1-CE1 4.32Å; V138-Y140 HydrophobicContact CG1-CE2 3.55Å |
| 139 | E | 94.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 61.1 Ų | 61.1 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.2 | 174.7 | -172.9 | 170.2 | 91.5 | 0 | 0 | 110.8 | V129 K141 | V129-E139 CarbonylContact O-C 3.45Å; V129-E139 WeakPolarHBondContact O-CA 3.37Å; E139-K141 HydrophobicContact CG-CG 4.45Å; E139-K141 WeakPolarHBondContact OE1-CE 3.29Å; E139-K141 IonicContact OE1-NZ 3.25Å; E139-K141 PolarHBondContact OE1-NZ 2.95Å |
| 140 | Y | 96 | Very high | 93.6 | Very high | 28 Ų | 28 | 64 Ų | 64 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.8 | 175.4 | -60.8 | -91.6 | 0 | 0 | 0 | 109.1 | E26 F50 R128 V129 R131 V138 | E26-Y140 HydrophobicContact CG-CE1 4.32Å; F50-Y140 HydrophobicContact CD2-CG 4.46Å; F50-Y140 HydrophobicContact CE1-CD2 4.15Å; F50-Y140 HydrophobicContact CE1-CE2 4.23Å; F50-Y140 AromaticContact CE2-CD1 3.81Å; F50-Y140 HydrophobicContact CE2-CD1 3.81Å; F50-Y140 AromaticContact CE2-CD2 3.65Å; F50-Y140 HydrophobicContact CE2-CD2 3.65Å; F50-Y140 HydrophobicContact CE2-CE1 4.27Å; F50-Y140 HydrophobicContact CE2-CE2 4.12Å; F50-Y140 AromaticContact CE2-CG 3.47Å; F50-Y140 HydrophobicContact CE2-CG 3.47Å; F50-Y140 VanDerWaalsContact CE2-CG 3.47Å; F50-Y140 HydrophobicContact CZ-CD1 4.07Å; F50-Y140 AromaticContact CZ-CD2 3.31Å; F50-Y140 HydrophobicContact CZ-CD2 3.31Å; F50-Y140 HydrophobicContact CZ-CE1 4.16Å; F50-Y140 AromaticContact CZ-CE2 3.41Å; F50-Y140 HydrophobicContact CZ-CE2 3.41Å; F50-Y140 VanDerWaalsContact CZ-CE2 3.41Å; F50-Y140 AromaticContact CZ-CG 3.66Å; F50-Y140 HydrophobicContact CZ-CG 3.66Å; F50-Y140 AromaticContact CZ-CZ 3.85Å; R128-Y140 CarbonylContact C-O 3.58Å; R128-Y140 WeakPolarHBondContact CA-O 3.47Å; V129-Y140 PolarHBondContact N-O 3.01Å; V129-Y140 PolarHBondContact O-N 3.35Å; R131-Y140 HydrophobicContact CB-CE2 4.22Å; V138-Y140 HydrophobicContact CB-CE2 3.94Å; V138-Y140 HydrophobicContact CG1-CD2 4.2Å; V138-Y140 HydrophobicContact CG1-CE1 4.32Å; V138-Y140 HydrophobicContact CG1-CE2 3.55Å |
| 141 | K | 96.2 | Very high | 92.7 | Very high | 103 Ų | 103 | 66.2 Ų | 66.2 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 140.8 | -177.7 | -59.9 | -174.4 | 176.5 | -170 | 0 | 111.4 | E126 C127 R128 E139 | E126-K141 HydrophobicContact CG-CB 4.44Å; E126-K141 IonicContact OE1-NZ 3.84Å; C127-K141 CarbonylContact O-C 3.49Å; C127-K141 WeakPolarHBondContact O-CA 3.48Å; R128-K141 HydrophobicContact CG-CG 4.3Å; E139-K141 HydrophobicContact CG-CG 4.45Å; E139-K141 WeakPolarHBondContact OE1-CE 3.29Å; E139-K141 IonicContact OE1-NZ 3.25Å; E139-K141 PolarHBondContact OE1-NZ 2.95Å |
| 142 | A | 97.1 | Very high | 91.2 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 136.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | F29 L32 P33 E126 C127 | F29-A142 HydrophobicContact CD1-CB 4.28Å; F29-A142 HydrophobicContact CD2-CB 4.3Å; F29-A142 HydrophobicContact CE1-CB 4.02Å; F29-A142 HydrophobicContact CE2-CB 4.03Å; F29-A142 HydrophobicContact CG-CB 4.42Å; F29-A142 HydrophobicContact CZ-CB 3.89Å; L32-A142 HydrophobicContact CD2-CB 4.49Å; P33-A142 HydrophobicContact CG-CB 4.16Å; E126-A142 WeakPolarHBondContact CA-O 3.42Å; C127-A142 HydrophobicContact CB-CB 4.5Å; C127-A142 PolarHBondContact N-O 2.95Å; C127-A142 PolarHBondContact O-N 2.85Å |
| 143 | Q | 96.5 | Very high | 89.8 | Confident | 105 Ų | 105 | 80 Ų | 80 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.2 | -170.1 | -69 | -179.7 | -15.4 | 0 | 0 | 112.2 | L124 Y125 E126 | L124-Q143 HydrophobicContact CD1-CB 4.07Å; Y125-Q143 CarbonylContact O-C 3.57Å; Y125-Q143 WeakPolarHBondContact O-CA 3.38Å; E126-Q143 HydrophobicContact CB-CG 4.14Å; E126-Q143 HydrophobicContact CG-CG 3.9Å; E126-Q143 WeakPolarHBondContact OE2-CG 2.75Å; E126-Q143 PolarHBondContact OE2-NE2 2.8Å |
| 144 | A | 96.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 140.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P33 N35 M46 Y125 | P33-A144 HydrophobicContact CB-CB 3.66Å; P33-A144 HydrophobicContact CG-CB 4.09Å; N35-A144 WeakPolarHBondContact OD1-CA 3.37Å; M46-A144 HydrophobicContact SD-CB 4.23Å; Y125-A144 PolarHBondContact N-O 2.97Å; Y125-A144 PolarHBondContact O-N 3.03Å |
| 145 | W | 96.4 | Very high | 86.8 | Confident | 71 Ų | 71 | 84.5 Ų | 84.5 | 27% | 0.269 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.6 | 176 | -168.6 | -76.2 | 0 | 0 | 0 | 111.3 | N35 M36 A68 L124 | N35-W145 WeakPolarHBondContact CA-O 3.02Å; N35-W145 PolarHBondContact OD1-N 2.83Å; M36-W145 PolarHBondContact N-O 3.44Å; A68-W145 HydrophobicContact CB-CH2 3.55Å; A68-W145 HydrophobicContact CB-CZ2 4.21Å; A68-W145 HydrophobicContact CB-CZ3 4.4Å; L124-W145 HydrophobicContact CB-CE3 3.86Å; L124-W145 HydrophobicContact CB-CZ3 3.94Å; L124-W145 HydrophobicContact CD1-CE3 4.06Å |
| 146 | L | 96.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 90.7 Ų | 90.7 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.6 | 171.7 | 177.8 | 57.6 | 0 | 0 | 0 | 109.5 | M36 V38 I44 I114 V117 D121 E122 G123 Y125 V148 | M36-L146 HydrophobicContact CG-CD1 3.5Å; M36-L146 HydrophobicContact SD-CD1 4Å; V38-L146 HydrophobicContact CG1-CD1 4.42Å; V38-L146 HydrophobicContact CG2-CD1 3.76Å; I44-L146 HydrophobicContact CD1-CD2 4.22Å; I44-L146 HydrophobicContact CG1-CD2 4.41Å; I114-L146 HydrophobicContact CD1-CD2 4.14Å; V117-L146 HydrophobicContact CG1-CD2 4.37Å; D121-L146 HydrophobicContact CB-CD2 4.47Å; D121-L146 WeakPolarHBondContact O-CD2 3.33Å; E122-L146 WeakPolarHBondContact CA-O 3.21Å; E122-L146 WeakPolarHBondContact CG-O 3.07Å; G123-L146 PolarHBondContact N-O 3.11Å; G123-L146 PolarHBondContact O-N 3.27Å; Y125-L146 HydrophobicContact CD2-CB 3.89Å; Y125-L146 HydrophobicContact CE2-CB 3.62Å; Y125-L146 HydrophobicContact CE2-CD2 3.76Å; Y125-L146 HydrophobicContact CE2-CG 4.3Å; L146-V148 HydrophobicContact CG-CG2 4.22Å |
| 147 | R | 95.9 | Very high | 84.5 | Confident | 149 Ų | 149 | 92 Ų | 92 | 56% | 0.562 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 137.9 | 170 | -62.9 | -171.1 | 177.5 | 176.8 | -3.3 | 110.6 | M36 T37 V38 | M36-R147 PolarHBondContact O-N 3.42Å; T37-R147 CarbonylContact C-O 3.58Å; T37-R147 WeakPolarHBondContact CA-O 3.45Å; T37-R147 HydrophobicContact CG2-CB 3.97Å; V38-R147 PolarHBondContact N-O 2.62Å |
| 148 | V | 95.6 | Very high | 83.3 | Confident | 2 Ų | 2 | 93.7 Ų | 93.7 | 1% | 0.012 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 113.1 | 179.7 | -171.6 | 0 | 0 | 0 | 0 | 110 | V38 E40 V117 S118 E122 L146 A150 | V38-V148 HydrophobicContact CG2-CG2 4.34Å; V38-V148 CarbonylContact O-C 3.57Å; V38-V148 WeakPolarHBondContact O-CA 3.28Å; E40-V148 HydrophobicContact CB-CG1 4.41Å; V117-V148 HydrophobicContact CG1-CB 4.28Å; V117-V148 HydrophobicContact CG1-CG1 3.89Å; V117-V148 HydrophobicContact CG1-CG2 3.35Å; S118-V148 WeakPolarHBondContact O-CG2 3.2Å; E122-V148 HydrophobicContact CB-CB 4.42Å; E122-V148 HydrophobicContact CB-CG2 4.1Å; E122-V148 PolarHBondContact OE2-N 3.05Å; L146-V148 HydrophobicContact CG-CG2 4.22Å; V148-A150 PolarHBondContact O-N 3.34Å; V148-A150 VanDerWaalsContact O-N 3.14Å |
| 149 | N | 94.3 | Very high | 82.2 | Confident | 89 Ų | 89 | 97 Ų | 97 | 48% | 0.476 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 101.6 | 171.1 | -70.9 | -19.9 | 0 | 0 | 0 | 108.4 | T37 V38 E40 T151 | T37-N149 WeakPolarHBondContact CG2-ND2 3.3Å; V38-N149 PolarHBondContact O-N 2.8Å; E40-N149 PolarHBondContact N-O 2.98Å; E40-N149 VanDerWaalsContact N-O 3.12Å; N149-T151 PolarHBondContact O-N 3.47Å |
| 150 | A | 86.3 | Confident | 80.8 | Confident | 62 Ų | 62 | 98.5 Ų | 98.5 | 51% | 0.512 | 50% | 0.498 | S | S | . | . | trans | -56 | 122.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | V148 A152 | V148-A150 PolarHBondContact O-N 3.34Å; V148-A150 VanDerWaalsContact O-N 3.14Å; A150-A152 PolarHBondContact O-N 3.49Å; A150-A152 VanDerWaalsContact O-N 3.08Å | ||
| 151 | T | 76.9 | Confident | 79.1 | Confident | 66 Ų | 66 | 101.5 Ų | 101.5 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | trans | -77.6 | 102.6 | 169.3 | 55.5 | 0 | 0 | 0 | 0 | 105.9 | E40 N149 R153 | E40-T151 HydrophobicContact CB-CG2 4.49Å; E40-T151 PolarHBondContact OE2-N 2.85Å; E40-T151 PolarHBondContact OE2-OG1 2.93Å; N149-T151 PolarHBondContact O-N 3.47Å; T151-R153 PolarHBondContact O-N 2.94Å | ||
| 152 | A | 63.1 | Low | 77.2 | Confident | 92 Ų | 92 | 106.4 Ų | 106.4 | 76% | 0.76 | 55% | 0.55 | S | S | * | * | trans | -60.3 | 87.7 | 166 | 0 | 0 | 0 | 0 | 0 | 106.8 | A150 P154 | A150-A152 PolarHBondContact O-N 3.49Å; A150-A152 VanDerWaalsContact O-N 3.08Å; A152-P154 WeakPolarHBondContact O-CD 3.42Å | ||
| 153 | R | 64.9 | Low | 75.1 | Confident | 218 Ų | 218 | 115.5 Ų | 115.5 | 82% | 0.823 | 59% | 0.588 | S | S | * | * | trans | -56.5 | 117.3 | 161.7 | -78.4 | -171.6 | -175.1 | -148.4 | 1.8 | 103.5 | T151 R155 | T151-R153 PolarHBondContact O-N 2.94Å; R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 3.47Å | ||
| 154 | P | 55.2 | Low | 73 | Confident | 118 Ų | 118 | 115.8 Ų | 115.8 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | trans | -57.5 | 111 | 163.3 | -12.2 | 27 | 0 | 0 | 0 | 103.4 | A152 R156 | A152-P154 WeakPolarHBondContact O-CD 3.42Å; P154-R156 PolarHBondContact O-N 2.99Å | ||
| 155 | R | 60.2 | Low | 71 | Confident | 237 Ų | 237 | 120.6 Ų | 120.6 | 89% | 0.894 | 64% | 0.636 | S | S | * | * | trans | -54 | 105 | 164.7 | -79.1 | -176.1 | 178.8 | 165.8 | 0.6 | 103.2 | R153 P157 | R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 3.47Å; R155-P157 VanDerWaalsContact O-CD 3.25Å; R155-P157 WeakPolarHBondContact O-CD 3.33Å | ||
| 156 | R | 61.7 | Low | 68.9 | Low | 223 Ų | 223 | 123.2 Ų | 123.2 | 84% | 0.842 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 119 | 171.9 | -159.5 | 179.7 | -154 | 168 | 5.8 | 103.6 | P154 L158 | P154-R156 PolarHBondContact O-N 2.99Å; R156-L158 PolarHBondContact O-N 2.93Å |
| 157 | P | 64.8 | Low | 67 | Low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 121.9 | 176.9 | -26.7 | 33.8 | 0 | 0 | 0 | 106.3 | R155 P159 | R155-P157 VanDerWaalsContact O-CD 3.25Å; R155-P157 WeakPolarHBondContact O-CD 3.33Å; P157-P159 WeakPolarHBondContact O-CD 3.35Å |
| 158 | L | 66.1 | Low | 65.3 | Low | 158 Ų | 158 | 132.4 Ų | 132.4 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 123 | 172.7 | -113.2 | 85.5 | 0 | 0 | 0 | 104.8 | R156 P160 | R156-L158 PolarHBondContact O-N 2.93Å; L158-P160 VanDerWaalsContact O-N 3.16Å |
| 159 | P | 71.3 | Confident | 63.2 | Low | 107 Ų | 107 | 140.2 Ų | 140.2 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 131.4 | 175.6 | 19.6 | -29 | 0 | 0 | 0 | 106.5 | P157 A161 | P157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-A161 PolarHBondContact O-N 3.27Å; P159-A161 VanDerWaalsContact O-N 3.14Å |
| 160 | P | 66 | Low | 61.3 | Low | 117 Ų | 117 | 141.7 Ų | 141.7 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 130 | -176.8 | 19.9 | -31.1 | 0 | 0 | 0 | 107.5 | L158 K162 | L158-P160 VanDerWaalsContact O-N 3.16Å; P160-K162 PolarHBondContact O-N 3.16Å |
| 161 | A | 59.6 | Low | 59.7 | Low | 92 Ų | 92 | 145.7 Ų | 145.7 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -47.8 | 112.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | P159 K163 | P159-A161 PolarHBondContact O-N 3.27Å; P159-A161 VanDerWaalsContact O-N 3.14Å; A161-K163 VanDerWaalsContact C-N 3.32Å; A161-K163 PolarHBondContact O-N 2.98Å | ||
| 162 | K | 55.9 | Low | 58.3 | Low | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -57.6 | 106 | 174.3 | -72.1 | -175.9 | 179.1 | -179.1 | 0 | 104.6 | P160 S164 | P160-K162 PolarHBondContact O-N 3.16Å; K162-S164 VanDerWaalsContact C-N 3.29Å; K162-S164 PolarHBondContact O-N 3.14Å | ||
| 163 | K | 54.5 | Low | 57.5 | Low | 200 Ų | 200 | 156.7 Ų | 156.7 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -55.3 | 102.6 | 170.5 | -69.7 | -179.9 | 178.4 | -179.7 | 0 | 104.9 | A161 S165 | A161-K163 VanDerWaalsContact C-N 3.32Å; A161-K163 PolarHBondContact O-N 2.98Å; K163-S165 PolarHBondContact O-N 2.84Å | ||
| 164 | S | 50.8 | Low | 57 | Low | 112 Ų | 112 | 151.7 Ų | 151.7 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -58.5 | 111.8 | 170.8 | 49.1 | 0 | 0 | 0 | 0 | 105.7 | K162 | K162-S164 VanDerWaalsContact C-N 3.29Å; K162-S164 PolarHBondContact O-N 3.14Å | ||
| 165 | S | 55.6 | Low | 56.6 | Low | 101 Ų | 101 | 157.9 Ų | 157.9 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -50.1 | 140.9 | 173 | -57.4 | 0 | 0 | 0 | 0 | 109.3 | K163 L167 | K163-S165 PolarHBondContact O-N 2.84Å; S165-L167 PolarHBondContact O-N 2.9Å; S165-L167 VanDerWaalsContact O-N 3.16Å | ||
| 166 | P | 52.8 | Low | 55.8 | Low | 125 Ų | 125 | 155.7 Ų | 155.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -60.7 | 122.1 | 177.2 | -15.4 | 28.2 | 0 | 0 | 0 | 109.1 | H168 | P166-H168 PolarHBondContact O-N 3.08Å; P166-H168 VanDerWaalsContact O-N 3.1Å | ||
| 167 | L | 55.3 | Low | 54.5 | Low | 171 Ų | 171 | 150 Ų | 150 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -64.8 | 108.7 | 170.4 | -79 | 162.2 | 0 | 0 | 0 | 108.2 | S165 L169 | S165-L167 PolarHBondContact O-N 2.9Å; S165-L167 VanDerWaalsContact O-N 3.16Å; L167-L169 PolarHBondContact O-N 3.22Å; L167-L169 VanDerWaalsContact O-N 3.15Å | ||
| 168 | H | 59.8 | Low | 53.1 | Low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -72.2 | 104.1 | 170.6 | -136.8 | -91.5 | 0 | 0 | 0 | 107.9 | P166 T170 | P166-H168 PolarHBondContact O-N 3.08Å; P166-H168 VanDerWaalsContact O-N 3.1Å; H168-T170 PolarHBondContact O-N 2.85Å | ||
| 169 | L | 51.4 | Low | 52.3 | Low | 166 Ų | 166 | 147.7 Ų | 147.7 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -70.6 | 92.5 | 169.8 | -82.5 | 163.1 | 0 | 0 | 0 | 108.6 | L167 | L167-L169 PolarHBondContact O-N 3.22Å; L167-L169 VanDerWaalsContact O-N 3.15Å | ||
| 170 | T | 55.8 | Low | 51.2 | Low | 119 Ų | 119 | 148.1 Ų | 148.1 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | -91.3 | 96.7 | 156.9 | 57.1 | 0 | 0 | 0 | 0 | 107.8 | H168 K172 | H168-T170 PolarHBondContact O-N 2.85Å; T170-K172 PolarHBondContact O-N 2.85Å | ||
| 171 | D | 52.4 | Low | 50 | Low | 147 Ų | 147 | 149.9 Ų | 149.9 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -53.3 | 126.2 | 160.5 | -162.4 | -29.9 | 0 | 0 | 0 | 108.8 | ||||
| 172 | K | 47.5 | Very low | 49.1 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -174.2 | 112.4 | 137.9 | -74.6 | -123.6 | 177.2 | -166.2 | 0 | 110.1 | T170 | T170-K172 PolarHBondContact O-N 2.85Š| ||
| 173 | K | 45.4 | Very low | 48.4 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -101.8 | 163.3 | 153.1 | -151.8 | 166.1 | 173.1 | 176.6 | 0 | 106.4 | ||||
| 174 | P | 55.9 | Low | 47.5 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -148 | 159.6 | 21.6 | 41.2 | -20.4 | 0 | 0 | 0 | 119.1 | ||||
| 175 | R | 44.9 | Very low | 47 | Very low | 247 Ų | 247 | 145.2 Ų | 145.2 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -155.5 | 152.1 | 136.9 | -142.6 | 166.7 | -175.3 | 170.1 | 0.9 | 112.9 | ||||
| 176 | K | 44.8 | Very low | 46.4 | Very low | 192 Ų | 192 | 147.7 Ų | 147.7 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -113.7 | 140.2 | -160.3 | -178.4 | -177.2 | -171.1 | -179.6 | 0 | 109.9 | ||||
| 177 | S | 33.4 | Very low | 45.8 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -161.6 | 108.1 | 142.6 | 58.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 178 | T | 35.2 | Very low | 45.1 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | 43.9 | 122.2 | 99.8 | 28.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 179 | S | 50 | Low | 44.1 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -174.7 | -156.6 | 5.7 | 30.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 180 | P | 49.2 | Very low | 43.4 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | -93.6 | 172.4 | -115.4 | 31.6 | -9.5 | 0 | 0 | 0 | 112.7 | |||||
| 181 | L | 39.8 | Very low | 42.7 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | -172.4 | 120.1 | 58.5 | -178.3 | 64.3 | 0 | 0 | 0 | 107.7 | |||||
| 182 | S | 39.9 | Very low | 42.2 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -73.4 | 154.4 | 159.1 | -52.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 183 | Q | 42.1 | Very low | 41.7 | Very low | 164 Ų | 164 | 138.4 Ų | 138.4 | 77% | 0.766 | 75% | 0.747 | S | S | * | * | trans | 174.3 | 140.9 | 136.4 | -90.2 | -164.8 | -71.9 | 0 | 0 | 106.3 | ||||
| 184 | D | 36.4 | Very low | 41.2 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 59% | 0.588 | 75% | 0.75 | S | S | * | * | cis | -174.5 | 150.1 | -7.2 | -106.6 | -12.1 | 0 | 0 | 0 | 105.7 | ||||
| 185 | N | 39.5 | Very low | 40.3 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 38.5 | 148.8 | 135.3 | -79.9 | -11.1 | 0 | 0 | 0 | 120.9 | ||||
| 186 | M | 43.5 | Very low | 39.9 | Very low | 152 Ų | 152 | 130 Ų | 130 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | cis | -174.5 | 138.2 | 16.1 | -110.5 | -123.8 | -169.9 | 0 | 0 | 104.6 | ||||
| 187 | S | 39.5 | Very low | 39.3 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | 90 | 128.5 | 103.3 | -164.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 188 | S | 40.7 | Very low | 39.5 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | 49 | 143.6 | 144.7 | -67.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 189 | D | 38.7 | Very low | 39.6 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | cis | -177.9 | 163.3 | 36.8 | -129.5 | -37.8 | 0 | 0 | 0 | 109.9 | ||||
| 190 | Q | 37.8 | Very low | 38.9 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | trans | 42.9 | 124.9 | 147.8 | -77.6 | 177.5 | 25.5 | 0 | 0 | 121.7 | ||||
| 191 | R | 40.3 | Very low | 38.2 | Very low | 221 Ų | 221 | 130.6 Ų | 130.6 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | -179.3 | 128.3 | 82.3 | -125.6 | 175.8 | -166.6 | 113 | -0.8 | 111.9 | |||||
| 192 | V | 41.3 | Very low | 38.2 | Very low | 136 Ų | 136 | 129 Ų | 129 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -65.6 | 137.6 | 156.8 | -111.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 193 | A | 36.8 | Very low | 38 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -155.8 | 97.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 194 | S | 34.8 | Very low | 37.6 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 135.7 | 155 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 195 | T | 37.3 | Very low | 37.4 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -141.9 | 126.3 | 159.7 | -35.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 196 | S | 36.6 | Very low | 37.1 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -61.7 | 141.7 | 174.7 | 166.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 197 | S | 33.8 | Very low | 36.5 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | 176.3 | 148.1 | 134.4 | 60.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 198 | S | 36.8 | Very low | 36.2 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | cis | -161.2 | 145.7 | 39.3 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 199 | H | 36.5 | Very low | 36.5 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -59.6 | 141.8 | 163.7 | -51.9 | -88.3 | 0 | 0 | 0 | 111.3 | ||||
| 200 | T | 36.2 | Very low | 36.3 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -127.1 | 98.7 | 163.5 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 201 | S | 33.4 | Very low | 36.2 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -93.2 | 131.3 | 164 | 41.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 202 | S | 41.3 | Very low | 35.7 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -127.9 | 106.3 | 168.8 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 203 | N | 34.5 | Very low | 35.5 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -97.2 | 129 | 168.7 | -98.8 | -19.5 | 0 | 0 | 0 | 109.3 | ||||
| 204 | T | 33.6 | Very low | 35.6 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -172.9 | 137.7 | 153.5 | 43.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 205 | A | 32.3 | Very low | 36.1 | Very low | 93 Ų | 93 | 144.3 Ų | 144.3 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | cis | -158 | 148.2 | 20.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 206 | K | 33.1 | Very low | 36 | Very low | 207 Ų | 207 | 145.7 Ų | 145.7 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | trans | -64.7 | 135.3 | 162.3 | -82 | 171.5 | 172.7 | 173.3 | 0 | 110.4 | ||||
| 207 | R | 31.1 | Very low | 36.6 | Very low | 240 Ų | 240 | 145.4 Ų | 145.4 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -138.3 | 117.2 | 149.1 | -77.9 | -158.6 | -165.5 | -173.5 | 7.1 | 109.8 | ||||
| 208 | Y | 34.6 | Very low | 37.1 | Very low | 224 Ų | 224 | 145.1 Ų | 145.1 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -103 | 148 | 149.3 | -89.9 | -87.7 | 0 | 0 | 0 | 107.1 | ||||
| 209 | P | 46 | Very low | 37.9 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | -132 | 148.8 | 116.1 | 33.7 | -22.6 | 0 | 0 | 0 | 112.8 | |||||
| 210 | S | 33.7 | Very low | 38.5 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -76.1 | 148.9 | 173 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 211 | S | 35.7 | Very low | 39 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | 133.6 | 134.1 | 126.5 | -157.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 212 | G | 31.5 | Very low | 39.5 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 131.1 | 67.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 213 | T | 36.7 | Very low | 39.7 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | 13.7 | 122.6 | 140.3 | -38.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 214 | R | 37.5 | Very low | 40.2 | Very low | 251 Ų | 251 | 135.7 Ų | 135.7 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | -147.1 | 118.1 | 126.5 | -67.4 | -163.3 | -143.4 | -143.3 | 3.9 | 110.8 | |||||
| 215 | I | 45.3 | Very low | 40.8 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 124.1 | 164.7 | -63.5 | 159.6 | 0 | 0 | 0 | 107 | ||||
| 216 | L | 36.7 | Very low | 41.4 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -129.2 | 105.9 | 154.1 | -157.6 | 73.8 | 0 | 0 | 0 | 108.4 | S218 | L216-S218 PolarHBondContact O-N 2.84Š| ||
| 217 | S | 49.2 | Very low | 42 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -40 | 124.8 | 160.5 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 218 | S | 44 | Very low | 42.8 | Very low | 106 Ų | 106 | 123.8 Ų | 123.8 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -157.8 | 79.7 | 158.8 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | L216 G220 | L216-S218 PolarHBondContact O-N 2.84Å; S218-G220 PolarHBondContact O-N 3.45Å | ||
| 219 | S | 52.6 | Low | 43.2 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -60.7 | 105.9 | 161.6 | 43.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 220 | G | 49.5 | Very low | 43.2 | Very low | 60 Ų | 60 | 115.7 Ų | 115.7 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | 169.4 | 67.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | S218 | S218-G220 PolarHBondContact O-N 3.45Š| ||
| 221 | P | 47.8 | Very low | 43.7 | Very low | 102 Ų | 102 | 115.1 Ų | 115.1 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -134.9 | 1.2 | 133.4 | 36.4 | -25.8 | 0 | 0 | 0 | 113.7 | V223 | P221-V223 VanDerWaalsContact C-N 3.32Å; P221-V223 PolarHBondContact O-N 2.8Å |
| 222 | A | 43.2 | Very low | 44.1 | Very low | 73 Ų | 73 | 119.7 Ų | 119.7 | 60% | 0.603 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -16 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 223 | V | 45.7 | Very low | 44.4 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.715 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -20.6 | -178.1 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | P221 | P221-V223 VanDerWaalsContact C-N 3.32Å; P221-V223 PolarHBondContact O-N 2.8Å |
| 224 | L | 44.3 | Very low | 44.6 | Very low | 144 Ų | 144 | 121.9 Ų | 121.9 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -21.3 | 178.4 | -106.6 | 92.3 | 0 | 0 | 0 | 113.8 | ||
| 225 | L | 47.2 | Very low | 44.9 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -17.7 | 178.8 | -70.7 | 170 | 0 | 0 | 0 | 113.3 | ||
| 226 | L | 44.5 | Very low | 44.7 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 62% | 0.623 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -22.7 | -179.6 | -88.6 | 150.2 | 0 | 0 | 0 | 113.4 | ||
| 227 | A | 45.2 | Very low | 45.1 | Very low | 69 Ų | 69 | 118.5 Ų | 118.5 | 57% | 0.57 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -26 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 228 | C | 47.3 | Very low | 44.9 | Very low | 102 Ų | 102 | 119.4 Ų | 119.4 | 69% | 0.689 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -18.1 | 179 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 229 | G | 44.2 | Very low | 44.9 | Very low | 47 Ų | 47 | 120.1 Ų | 120.1 | 49% | 0.485 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -28.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V231 | G229-V231 PolarHBondContact O-N 3.44Š|
| 230 | L | 44.5 | Very low | 44.5 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 68% | 0.681 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -8.6 | -170 | -70.5 | 170.6 | 0 | 0 | 0 | 115 | ||
| 231 | V | 44.8 | Very low | 44.1 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -16.4 | 178.9 | -168.6 | 0 | 0 | 0 | 0 | 111.9 | G229 | G229-V231 PolarHBondContact O-N 3.44Š|
| 232 | R | 45 | Very low | 43.9 | Very low | 217 Ų | 217 | 125.3 Ų | 125.3 | 82% | 0.819 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -85 | -24.4 | -178 | -116.8 | 179.6 | 169.8 | -171.9 | -4.2 | 114.6 | ||
| 233 | D | 36.3 | Very low | 44 | Very low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 1.3 | 177.7 | -88.7 | -20.9 | 0 | 0 | 0 | 114 | ||
| 234 | A | 41.3 | Very low | 43.8 | Very low | 81 Ų | 81 | 129.8 Ų | 129.8 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 4.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 235 | L | 45.2 | Very low | 43.8 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | trans | -133.4 | 24.7 | -175.9 | -126.5 | 111.6 | 0 | 0 | 0 | 114.4 | ||||
| 236 | L | 39.8 | Very low | 43.5 | Very low | 226 Ų | 226 | 127.1 Ų | 127.1 | 100% | 1.183 | 72% | 0.723 | S | S | * | * | trans | -118.3 | 0 | 162.6 | -91 | 166.6 | 0 | 0 | 0 | 109.9 |
Retrieved 236 of 236 residues in 124.3 ms
(Link to these results)