| 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 | K | 59.9 | Low | 90.7 | Very high | 230 Ų | 230 | 85.8 Ų | 85.8 | 100% | 1 | 53% | 0.527 | S | S | * | . | 0 | 126.5 | 0 | -80 | -178.1 | 175.4 | 178.5 | 0 | 107.8 | G4 | K1-G4 PolarHBondContact O-N 3.37Š| |||
| 2 | P | 78.4 | Confident | 91.2 | Very high | 100 Ų | 100 | 80.3 Ų | 80.3 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 146.2 | 174.5 | -24.1 | 34 | 0 | 0 | 0 | 111.3 | G4 L73 | P2-G4 PolarHBondContact O-N 2.77Å; P2-L73 CarbonylContact C-O 3.5Å; P2-L73 WeakPolarHBondContact CA-O 3.34Å |
| 3 | G | 85.3 | Confident | 91.7 | Very high | 58 Ų | 58 | 82.5 Ų | 82.5 | 60% | 0.598 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -4.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L73 | G3-L73 PolarHBondContact N-O 3.26Š|
| 4 | G | 92.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 82.9 Ų | 82.9 | 31% | 0.309 | 55% | 0.545 | S | S | . | . | trans | -70.6 | 169.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1 P2 S72 L73 | K1-G4 PolarHBondContact O-N 3.37Å; P2-G4 PolarHBondContact O-N 2.77Å; G4-S72 PolarHBondContact O-N 3.04Å; G4-L73 WeakPolarHBondContact O-CG 3.32Å; G4-L73 PolarHBondContact O-N 2.87Å | ||
| 5 | S | 95.4 | Very high | 92.4 | Very high | 80 Ų | 80 | 83.1 Ų | 83.1 | 56% | 0.559 | 53% | 0.534 | S | S | * | . | trans | -124.2 | 145.5 | 170.8 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | M70 | S5-M70 CarbonylContact C-O 3.51Å; S5-M70 WeakPolarHBondContact CA-O 3.4Å; S5-M70 WeakPolarHBondContact CB-O 3.47Å | ||
| 6 | L | 95.8 | Very high | 92.7 | Very high | 90 Ų | 90 | 83.6 Ų | 83.6 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.1 | 177.8 | -178.3 | 63.2 | 0 | 0 | 0 | 109.3 | L8 Q69 M70 L73 | L6-L8 HydrophobicContact CD2-CD2 3.69Å; L6-L8 HydrophobicContact CG-CD2 4.05Å; L6-Q69 PolarHBondContact O-NE2 3.01Å; L6-M70 PolarHBondContact N-O 3.49Å; L6-M70 PolarHBondContact O-N 3.42Å; L6-L73 HydrophobicContact CB-CD1 4.07Å |
| 7 | K | 97.8 | Very high | 93 | Very high | 113 Ų | 113 | 78.8 Ų | 78.8 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.1 | 170.6 | -169.2 | 177.5 | 179.6 | -179.7 | 0 | 109.5 | Y67 L68 | K7-Y67 VanDerWaalsContact CE-CD1 3.44Å; K7-L68 CarbonylContact C-O 3.48Å; K7-L68 WeakPolarHBondContact CA-O 3.32Å |
| 8 | L | 98.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 77.2 Ų | 77.2 | 20% | 0.199 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 152.3 | 171.4 | -53.2 | -177.7 | 0 | 0 | 0 | 110.1 | L6 W24 Y67 L68 M70 Y81 | L6-L8 HydrophobicContact CD2-CD2 3.69Å; L6-L8 HydrophobicContact CG-CD2 4.05Å; L8-W24 HydrophobicContact CB-CH2 3.79Å; L8-W24 HydrophobicContact CB-CZ2 4.03Å; L8-W24 HydrophobicContact CB-CZ3 4.34Å; L8-W24 HydrophobicContact CD1-CE3 4.46Å; L8-W24 HydrophobicContact CD1-CH2 4.42Å; L8-W24 HydrophobicContact CD1-CZ3 4.13Å; L8-Y67 VanDerWaalsContact O-CA 3.28Å; L8-Y67 WeakPolarHBondContact O-CA 3.45Å; L8-L68 HydrophobicContact CB-CB 4.25Å; L8-L68 HydrophobicContact CD1-CD2 4.3Å; L8-L68 PolarHBondContact N-O 3.06Å; L8-L68 PolarHBondContact O-N 3.3Å; L8-M70 HydrophobicContact CD1-SD 3.97Å; L8-M70 HydrophobicContact CG-SD 4.11Å; L8-Y81 HydrophobicContact CD1-CD1 4.15Å; L8-Y81 HydrophobicContact CD1-CD2 4.11Å; L8-Y81 HydrophobicContact CD1-CG 3.7Å |
| 9 | S | 98.3 | Very high | 93.5 | Very high | 83 Ų | 83 | 77 Ų | 77 | 58% | 0.58 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136.6 | 174.2 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | L66 | S9-L66 CarbonylContact C-O 3.59Å; S9-L66 VanDerWaalsContact CA-O 3.3Å; S9-L66 WeakPolarHBondContact CA-O 3.4Å |
| 10 | C | 97.9 | Very high | 93.7 | Very high | 43 Ų | 43 | 80 Ų | 80 | 29% | 0.291 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 112.6 | 174.2 | 177 | 0 | 0 | 0 | 0 | 108.7 | W24 I65 L66 | C10-W24 HydrophobicContact CB-CH2 3.78Å; C10-W24 HydrophobicContact CB-CZ2 3.83Å; C10-I65 CarbonylContact O-C 3.57Å; C10-I65 WeakPolarHBondContact O-CA 3.36Å; C10-L66 HydrophobicContact CB-CB 4.34Å; C10-L66 PolarHBondContact N-O 2.88Å; C10-L66 PolarHBondContact O-N 2.88Å |
| 11 | A | 98.1 | Very high | 93.9 | Very high | 79 Ų | 79 | 79.4 Ų | 79.4 | 65% | 0.653 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 128.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I65 | A11-I65 HydrophobicContact CB-CG1 4.23Å |
| 12 | A | 97.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 70 Ų | 70 | 17% | 0.165 | 46% | 0.462 | C | S | . | . | trans | -106 | 145.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F15 F17 N64 | A12-F15 HydrophobicContact CB-CE1 3.71Å; A12-F15 HydrophobicContact CB-CZ 3.69Å; A12-F17 HydrophobicContact CB-CD2 3.59Å; A12-F17 HydrophobicContact CB-CE2 4.11Å; A12-N64 PolarHBondContact N-O 2.84Å | ||
| 13 | S | 97.6 | Very high | 96.6 | Very high | 109 Ų | 109 | 66.9 Ų | 66.9 | 76% | 0.762 | 44% | 0.442 | S | S | * | . | trans | -146.1 | 157 | 176.1 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 14 | G | 97.4 | Very high | 97.3 | Very high | 88 Ų | 88 | 64.7 Ų | 64.7 | 91% | 0.907 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 89 | 3.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 15 | F | 96.1 | Very high | 97.5 | Very high | 86 Ų | 86 | 64.6 Ų | 64.6 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -154.1 | 164.3 | 174.2 | 66.8 | -80 | 0 | 0 | 0 | 111.5 | A12 F17 Y20 M22 | A12-F15 HydrophobicContact CB-CE1 3.71Å; A12-F15 HydrophobicContact CB-CZ 3.69Å; F15-F17 HydrophobicContact CE2-CB 4.36Å; F15-F17 HydrophobicContact CE2-CD2 4.3Å; F15-F17 HydrophobicContact CZ-CD2 4.21Å; F15-F17 PolarHBondContact O-N 3.27Å; F15-Y20 HydrophobicContact CB-CE2 4.44Å; F15-Y20 AromaticContact CD2-CD2 3.57Å; F15-Y20 HydrophobicContact CD2-CD2 3.57Å; F15-Y20 AromaticContact CD2-CE2 4Å; F15-Y20 HydrophobicContact CD2-CE2 4Å; F15-Y20 HydrophobicContact CD2-CG 4.28Å; F15-Y20 HydrophobicContact CE2-CD2 4.11Å; F15-Y20 HydrophobicContact CE2-CG 4.48Å; F15-M22 HydrophobicContact CE2-SD 4.1Å; F15-M22 HydrophobicContact CZ-CE 4.15Å; F15-M22 HydrophobicContact CZ-SD 4.1Å |
| 16 | T | 97.4 | Very high | 97.6 | Very high | 90 Ų | 90 | 61 Ų | 61 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | trans | -75 | 86.5 | 176.1 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | S18 S19 Y20 | T16-S18 VanDerWaalsContact C-N 3.26Å; T16-S18 PolarHBondContact O-N 2.87Å; T16-S18 VanDerWaalsContact O-N 3.11Å; T16-S19 WeakPolarHBondContact CG2-OG 3.48Å; T16-S19 WeakPolarHBondContact O-CB 3.31Å; T16-S19 PolarHBondContact O-N 2.79Å; T16-Y20 WeakPolarHBondContact O-CD2 3.13Å | ||
| 17 | F | 97.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -45.7 | -46.2 | -174.2 | 178.8 | -97.9 | 0 | 0 | 0 | 113.7 | A12 F15 S19 Y20 M22 R59 N61 N64 L66 | A12-F17 HydrophobicContact CB-CD2 3.59Å; A12-F17 HydrophobicContact CB-CE2 4.11Å; F15-F17 HydrophobicContact CE2-CB 4.36Å; F15-F17 HydrophobicContact CE2-CD2 4.3Å; F15-F17 HydrophobicContact CZ-CD2 4.21Å; F15-F17 PolarHBondContact O-N 3.27Å; F17-S19 PolarHBondContact O-N 2.98Å; F17-S19 VanDerWaalsContact O-N 3.14Å; F17-Y20 PolarHBondContact O-N 3.1Å; F17-M22 HydrophobicContact CD2-CE 4.43Å; F17-M22 HydrophobicContact CD2-CG 4.42Å; F17-M22 HydrophobicContact CD2-SD 4.31Å; F17-M22 HydrophobicContact CE2-CE 4.05Å; F17-M22 HydrophobicContact CE2-CG 3.87Å; F17-M22 HydrophobicContact CE2-SD 4.18Å; F17-M22 HydrophobicContact CZ-CG 4.23Å; F17-R59 HydrophobicContact CE1-CB 4.04Å; F17-R59 HydrophobicContact CZ-CB 4.12Å; F17-R59 PolarHBondContact O-NH2 2.99Å; F17-N61 WeakPolarHBondContact CD1-OD1 3.05Å; F17-N61 WeakPolarHBondContact CE1-OD1 3.08Å; F17-N64 HydrophobicContact CB-CB 3.98Å; F17-N64 VanDerWaalsContact CB-OD1 3.31Å; F17-N64 WeakPolarHBondContact CB-OD1 3.45Å; F17-N64 HydrophobicContact CG-CB 4.12Å; F17-L66 HydrophobicContact CE2-CB 4.35Å; F17-L66 HydrophobicContact CZ-CB 4.22Å |
| 18 | S | 97.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 55 Ų | 55 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -57.7 | -29.2 | -178.1 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | T16 S41 R59 | T16-S18 VanDerWaalsContact C-N 3.26Å; T16-S18 PolarHBondContact O-N 2.87Å; T16-S18 VanDerWaalsContact O-N 3.11Å; S18-S41 WeakPolarHBondContact O-CB 3.03Å; S18-R59 VanDerWaalsContact CA-NH2 3.32Å; S18-R59 PolarHBondContact O-NH1 3.42Å |
| 19 | S | 97.6 | Very high | 97.1 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 52% | 0.517 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -81.5 | -14.8 | -173.5 | -57.7 | 0 | 0 | 0 | 0 | 114.1 | T16 F17 | T16-S19 WeakPolarHBondContact CG2-OG 3.48Å; T16-S19 WeakPolarHBondContact O-CB 3.31Å; T16-S19 PolarHBondContact O-N 2.79Å; F17-S19 PolarHBondContact O-N 2.98Å; F17-S19 VanDerWaalsContact O-N 3.14Å |
| 20 | Y | 97.6 | Very high | 96.8 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -110 | 149 | -175.2 | -64.5 | -90.8 | 0 | 0 | 0 | 111.9 | F15 T16 F17 R59 | F15-Y20 HydrophobicContact CB-CE2 4.44Å; F15-Y20 AromaticContact CD2-CD2 3.57Å; F15-Y20 HydrophobicContact CD2-CD2 3.57Å; F15-Y20 AromaticContact CD2-CE2 4Å; F15-Y20 HydrophobicContact CD2-CE2 4Å; F15-Y20 HydrophobicContact CD2-CG 4.28Å; F15-Y20 HydrophobicContact CE2-CD2 4.11Å; F15-Y20 HydrophobicContact CE2-CG 4.48Å; T16-Y20 WeakPolarHBondContact O-CD2 3.13Å; F17-Y20 PolarHBondContact O-N 3.1Å; Y20-R59 PolarHBondContact O-NH2 2.92Å |
| 21 | A | 97.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 56% | 0.562 | 40% | 0.404 | S | S | * | . | trans | -71.5 | 144.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | I39 | A21-I39 CarbonylContact C-O 3.6Å; A21-I39 WeakPolarHBondContact CA-O 3.3Å | ||
| 22 | M | 98.3 | Very high | 96 | Very high | 33 Ų | 33 | 70.9 Ų | 70.9 | 16% | 0.163 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 149.9 | -177.6 | -60.1 | -59.5 | -62 | 0 | 0 | 109.3 | F15 F17 S38 I39 L66 | F15-M22 HydrophobicContact CE2-SD 4.1Å; F15-M22 HydrophobicContact CZ-CE 4.15Å; F15-M22 HydrophobicContact CZ-SD 4.1Å; F17-M22 HydrophobicContact CD2-CE 4.43Å; F17-M22 HydrophobicContact CD2-CG 4.42Å; F17-M22 HydrophobicContact CD2-SD 4.31Å; F17-M22 HydrophobicContact CE2-CE 4.05Å; F17-M22 HydrophobicContact CE2-CG 3.87Å; F17-M22 HydrophobicContact CE2-SD 4.18Å; F17-M22 HydrophobicContact CZ-CG 4.23Å; M22-S38 CarbonylContact O-C 3.52Å; M22-S38 WeakPolarHBondContact O-CA 3.24Å; M22-I39 HydrophobicContact CB-CG2 4.11Å; M22-I39 PolarHBondContact N-O 3.18Å; M22-I39 PolarHBondContact O-N 2.81Å; M22-L66 HydrophobicContact CB-CD1 3.71Å; M22-L66 HydrophobicContact CB-CD2 3.82Å; M22-L66 HydrophobicContact CB-CG 4.34Å; M22-L66 HydrophobicContact CG-CD1 4.43Å |
| 23 | S | 98.2 | Very high | 95.9 | Very high | 34 Ų | 34 | 75.2 Ų | 75.2 | 24% | 0.238 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 157.4 | -176.9 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | W35 A37 S38 | S23-W35 WeakPolarHBondContact OG-CZ3 3.28Å; S23-A37 CarbonylContact C-O 3.59Å; S23-A37 WeakPolarHBondContact CA-O 3.25Å; S23-A37 WeakPolarHBondContact CB-O 3.47Å; S23-S38 WeakPolarHBondContact CB-OG 3.46Å; S23-S38 WeakPolarHBondContact OG-CB 3.2Å; S23-S38 PolarHBondContact OG-OG 3.05Å |
| 24 | W | 98.5 | Very high | 95.8 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 5% | 0.045 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 136.8 | 166.8 | -73.4 | 94.2 | 0 | 0 | 0 | 110 | L8 C10 V36 A37 L66 L68 Y82 | L8-W24 HydrophobicContact CB-CH2 3.79Å; L8-W24 HydrophobicContact CB-CZ2 4.03Å; L8-W24 HydrophobicContact CB-CZ3 4.34Å; L8-W24 HydrophobicContact CD1-CE3 4.46Å; L8-W24 HydrophobicContact CD1-CH2 4.42Å; L8-W24 HydrophobicContact CD1-CZ3 4.13Å; C10-W24 HydrophobicContact CB-CH2 3.78Å; C10-W24 HydrophobicContact CB-CZ2 3.83Å; W24-V36 HydrophobicContact CB-CB 4.12Å; W24-V36 WeakPolarHBondContact O-CB 3.45Å; W24-V36 PolarHBondContact O-N 2.69Å; W24-A37 PolarHBondContact N-O 3.21Å; W24-A37 PolarHBondContact O-N 2.87Å; W24-L66 HydrophobicContact CG-CD2 4.49Å; W24-L66 VanDerWaalsContact NE1-CD2 3.32Å; W24-L68 HydrophobicContact CB-CD2 4.21Å; W24-L68 HydrophobicContact CD2-CB 4.16Å; W24-L68 HydrophobicContact CD2-CD2 4.3Å; W24-L68 HydrophobicContact CG-CB 4.14Å; W24-L68 HydrophobicContact CG-CD1 4.49Å; W24-L68 HydrophobicContact CG-CD2 4.02Å; W24-L68 HydrophobicContact CG-CG 4.46Å; W24-L68 HydrophobicContact CZ2-CB 4.35Å; W24-Y82 CarbonylContact C-O 3.5Å; W24-Y82 VanDerWaalsContact CA-O 3.3Å; W24-Y82 WeakPolarHBondContact CA-O 3.32Å |
| 25 | V | 97.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 76.7 Ų | 76.7 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.5 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | L33 E34 W35 Y81 Y82 | V25-L33 HydrophobicContact CG1-CB 4.05Å; V25-L33 HydrophobicContact CG1-CD2 3.84Å; V25-L33 HydrophobicContact CG1-CG 4.49Å; V25-E34 WeakPolarHBondContact CA-O 3.37Å; V25-E34 WeakPolarHBondContact CG1-O 3.43Å; V25-W35 HydrophobicContact CG2-CD2 4.28Å; V25-W35 HydrophobicContact CG2-CE3 3.58Å; V25-W35 HydrophobicContact CG2-CH2 4.14Å; V25-W35 HydrophobicContact CG2-CZ3 3.42Å; V25-W35 VanDerWaalsContact CG2-CZ3 3.42Å; V25-Y81 WeakPolarHBondContact O-CA 3.07Å; V25-Y82 PolarHBondContact N-O 2.97Å; V25-Y82 PolarHBondContact O-N 3.38Å |
| 26 | G | 97.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 73 Ų | 73 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L33 E34 M80 | G26-L33 CarbonylContact O-C 3.58Å; G26-L33 WeakPolarHBondContact O-CA 3.31Å; G26-E34 PolarHBondContact N-O 2.77Å; G26-E34 PolarHBondContact O-N 2.8Å; G26-M80 CarbonylContact C-O 3.57Å; G26-M80 WeakPolarHBondContact CA-O 3.31Å |
| 27 | Q | 96.8 | Very high | 95.8 | Very high | 55 Ų | 55 | 68.7 Ų | 68.7 | 26% | 0.257 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 115.2 | 166.6 | -169.2 | 173.5 | 48.6 | 0 | 0 | 109.6 | K31 R32 L33 A79 M80 Y82 | Q27-K31 PolarHBondContact NE2-O 3.43Å; Q27-R32 WeakPolarHBondContact CA-O 3.28Å; Q27-L33 HydrophobicContact CB-CD2 3.74Å; Q27-L33 HydrophobicContact CG-CD2 3.97Å; Q27-A79 CarbonylContact O-C 3.53Å; Q27-A79 VanDerWaalsContact O-CA 3.28Å; Q27-A79 WeakPolarHBondContact O-CA 3.31Å; Q27-A79 VanDerWaalsContact O-CB 3.31Å; Q27-A79 WeakPolarHBondContact O-CB 3.48Å; Q27-M80 HydrophobicContact CB-CB 4.4Å; Q27-M80 PolarHBondContact N-O 3.29Å; Q27-M80 PolarHBondContact O-N 3.14Å; Q27-Y82 HydrophobicContact CB-CE2 3.77Å; Q27-Y82 PolarHBondContact OE1-OH 2.97Å |
| 28 | T | 93.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.141 | 35% | 0.354 | C | S | . | . | trans | -69.2 | 163.8 | 176.9 | 78.3 | 0 | 0 | 0 | 0 | 110.8 | E30 K31 R32 | T28-E30 VanDerWaalsContact CB-OE2 3.24Å; T28-E30 WeakPolarHBondContact CB-OE2 3.44Å; T28-E30 PolarHBondContact O-N 2.96Å; T28-E30 VanDerWaalsContact O-N 3.13Å; T28-E30 PolarHBondContact OG1-N 3.29Å; T28-E30 PolarHBondContact OG1-OE2 2.8Å; T28-K31 WeakPolarHBondContact O-CA 3.49Å; T28-K31 PolarHBondContact O-N 3.06Å; T28-R32 PolarHBondContact N-O 3.19Å | ||
| 29 | P | 90.9 | Very high | 95.9 | Very high | 96 Ų | 96 | 68 Ų | 68 | 62% | 0.623 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -28.9 | 174.8 | -26.9 | 36.7 | 0 | 0 | 0 | 113.9 | K31 | P29-K31 PolarHBondContact O-N 2.85Š|
| 30 | E | 92.1 | Very high | 96 | Very high | 148 Ų | 148 | 66.3 Ų | 66.3 | 69% | 0.692 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 7.9 | 174.9 | -54.2 | 70.7 | -149.5 | 0 | 0 | 113 | T28 R32 | T28-E30 VanDerWaalsContact CB-OE2 3.24Å; T28-E30 WeakPolarHBondContact CB-OE2 3.44Å; T28-E30 PolarHBondContact O-N 2.96Å; T28-E30 VanDerWaalsContact O-N 3.13Å; T28-E30 PolarHBondContact OG1-N 3.29Å; T28-E30 PolarHBondContact OG1-OE2 2.8Å; E30-R32 PolarHBondContact O-N 3.38Å |
| 31 | K | 87.5 | Confident | 95.9 | Very high | 168 Ų | 168 | 63 Ų | 63 | 73% | 0.73 | 32% | 0.324 | S | S | * | . | trans | 66 | 15.1 | 180 | -54.6 | -178.6 | 178.3 | 179.4 | 0 | 114.9 | Q27 T28 P29 | Q27-K31 PolarHBondContact NE2-O 3.43Å; T28-K31 WeakPolarHBondContact O-CA 3.49Å; T28-K31 PolarHBondContact O-N 3.06Å; P29-K31 PolarHBondContact O-N 2.85Å | ||
| 32 | R | 91.5 | Very high | 95.8 | Very high | 165 Ų | 165 | 63.1 Ų | 63.1 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | trans | -77.1 | 129 | 173.7 | -172.6 | -179.2 | -177.3 | -160 | 9.1 | 109.8 | Q27 T28 E30 E34 | Q27-R32 WeakPolarHBondContact CA-O 3.28Å; T28-R32 PolarHBondContact N-O 3.19Å; E30-R32 PolarHBondContact O-N 3.38Å; R32-E34 WeakPolarHBondContact CD-OE1 3.4Å; R32-E34 HydrophobicContact CG-CG 4.17Å; R32-E34 IonicContact CZ-OE1 3.31Å; R32-E34 VanDerWaalsContact CZ-OE1 3.31Å; R32-E34 IonicContact NE-OE1 3.5Å; R32-E34 IonicContact NH1-OE1 2.75Å; R32-E34 PolarHBondContact NH1-OE1 2.78Å | ||
| 33 | L | 94.6 | Very high | 95.8 | Very high | 111 Ų | 111 | 63.2 Ų | 63.2 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 128.6 | 171.6 | -68.3 | 170.6 | 0 | 0 | 0 | 110 | V25 G26 Q27 | V25-L33 HydrophobicContact CG1-CB 4.05Å; V25-L33 HydrophobicContact CG1-CD2 3.84Å; V25-L33 HydrophobicContact CG1-CG 4.49Å; G26-L33 CarbonylContact O-C 3.58Å; G26-L33 WeakPolarHBondContact O-CA 3.31Å; Q27-L33 HydrophobicContact CB-CD2 3.74Å; Q27-L33 HydrophobicContact CG-CD2 3.97Å |
| 34 | E | 94.9 | Very high | 95.8 | Very high | 72 Ų | 72 | 65.8 Ų | 65.8 | 34% | 0.336 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.5 | 178.8 | -60.1 | -166.3 | 164.4 | 0 | 0 | 109.9 | V25 G26 R32 V36 | V25-E34 WeakPolarHBondContact CA-O 3.37Å; V25-E34 WeakPolarHBondContact CG1-O 3.43Å; G26-E34 PolarHBondContact N-O 2.77Å; G26-E34 PolarHBondContact O-N 2.8Å; R32-E34 WeakPolarHBondContact CD-OE1 3.4Å; R32-E34 HydrophobicContact CG-CG 4.17Å; R32-E34 IonicContact CZ-OE1 3.31Å; R32-E34 VanDerWaalsContact CZ-OE1 3.31Å; R32-E34 IonicContact NE-OE1 3.5Å; R32-E34 IonicContact NH1-OE1 2.75Å; R32-E34 PolarHBondContact NH1-OE1 2.78Å; E34-V36 PolarHBondContact O-N 3.02Å |
| 35 | W | 96.3 | Very high | 95.8 | Very high | 155 Ų | 155 | 68.6 Ų | 68.6 | 59% | 0.587 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 135.4 | 172.1 | -77.1 | 107.4 | 0 | 0 | 0 | 110 | S23 V25 P48 | S23-W35 WeakPolarHBondContact OG-CZ3 3.28Å; V25-W35 HydrophobicContact CG2-CD2 4.28Å; V25-W35 HydrophobicContact CG2-CE3 3.58Å; V25-W35 HydrophobicContact CG2-CH2 4.14Å; V25-W35 HydrophobicContact CG2-CZ3 3.42Å; V25-W35 VanDerWaalsContact CG2-CZ3 3.42Å; W35-P48 WeakPolarHBondContact O-CG 3.37Å |
| 36 | V | 97.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.055 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -50.2 | -179.3 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | W24 E34 P48 V51 F55 L68 Y81 | W24-V36 HydrophobicContact CB-CB 4.12Å; W24-V36 WeakPolarHBondContact O-CB 3.45Å; W24-V36 PolarHBondContact O-N 2.69Å; E34-V36 PolarHBondContact O-N 3.02Å; V36-P48 WeakPolarHBondContact O-CD 3.4Å; V36-V51 VanDerWaalsContact O-CG2 3.24Å; V36-V51 WeakPolarHBondContact O-CG2 3.33Å; V36-F55 HydrophobicContact CG1-CD2 3.64Å; V36-F55 HydrophobicContact CG1-CE2 4Å; V36-L68 HydrophobicContact CG1-CD1 4.38Å; V36-L68 HydrophobicContact CG1-CD2 3.84Å; V36-Y81 HydrophobicContact CG1-CE1 4.23Å; V36-Y81 HydrophobicContact CG2-CD1 4.23Å; V36-Y81 HydrophobicContact CG2-CE1 3.8Å |
| 37 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 153.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S23 W24 Y46 Y47 I57 L68 | S23-A37 CarbonylContact C-O 3.59Å; S23-A37 WeakPolarHBondContact CA-O 3.25Å; S23-A37 WeakPolarHBondContact CB-O 3.47Å; W24-A37 PolarHBondContact N-O 3.21Å; W24-A37 PolarHBondContact O-N 2.87Å; A37-Y46 WeakPolarHBondContact CA-O 3.3Å; A37-Y47 HydrophobicContact CB-CD1 3.7Å; A37-Y47 HydrophobicContact CB-CE1 3.73Å; A37-I57 HydrophobicContact CB-CB 3.77Å; A37-I57 HydrophobicContact CB-CD1 4.09Å; A37-I57 HydrophobicContact CB-CG1 4.48Å; A37-I57 HydrophobicContact CB-CG2 3.95Å; A37-L68 HydrophobicContact CB-CD1 4.07Å |
| 38 | S | 98.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 74.2 Ų | 74.2 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 147.6 | 175.6 | -59 | 0 | 0 | 0 | 0 | 110.8 | M22 S23 T45 Y46 | M22-S38 CarbonylContact O-C 3.52Å; M22-S38 WeakPolarHBondContact O-CA 3.24Å; S23-S38 WeakPolarHBondContact CB-OG 3.46Å; S23-S38 WeakPolarHBondContact OG-CB 3.2Å; S23-S38 PolarHBondContact OG-OG 3.05Å; S38-T45 CarbonylContact O-C 3.59Å; S38-T45 VanDerWaalsContact O-CA 3.27Å; S38-T45 WeakPolarHBondContact O-CA 3.46Å; S38-Y46 PolarHBondContact N-O 2.8Å; S38-Y46 PolarHBondContact O-N 3.32Å |
| 39 | I | 98.7 | Very high | 96 | Very high | 10 Ų | 10 | 79.7 Ų | 79.7 | 5% | 0.051 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 126.8 | 174.3 | -169.5 | 164.4 | 0 | 0 | 0 | 109.6 | A21 M22 S44 T45 I57 R59 L66 | A21-I39 CarbonylContact C-O 3.6Å; A21-I39 WeakPolarHBondContact CA-O 3.3Å; M22-I39 HydrophobicContact CB-CG2 4.11Å; M22-I39 PolarHBondContact N-O 3.18Å; M22-I39 PolarHBondContact O-N 2.81Å; I39-S44 WeakPolarHBondContact CA-O 3.47Å; I39-T45 HydrophobicContact CB-CG2 4.35Å; I39-T45 HydrophobicContact CD1-CG2 3.96Å; I39-T45 HydrophobicContact CG1-CG2 3.99Å; I39-I57 HydrophobicContact CB-CD1 4.1Å; I39-I57 HydrophobicContact CB-CG1 4.34Å; I39-I57 HydrophobicContact CB-CG2 4.03Å; I39-I57 HydrophobicContact CG2-CD1 3.77Å; I39-I57 HydrophobicContact CG2-CG1 4.08Å; I39-R59 HydrophobicContact CD1-CB 4.34Å; I39-R59 HydrophobicContact CD1-CG 3.83Å; I39-L66 HydrophobicContact CG2-CD1 3.68Å |
| 40 | S | 98.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 78.4 Ų | 78.4 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | trans | -72.9 | 168.7 | 178.8 | 76.9 | 0 | 0 | 0 | 0 | 111.8 | G42 G43 S44 R59 | S40-G42 PolarHBondContact O-N 3.27Å; S40-G42 PolarHBondContact OG-N 2.99Å; S40-G43 PolarHBondContact O-N 2.83Å; S40-G43 PolarHBondContact OG-N 3.02Å; S40-S44 PolarHBondContact N-O 2.69Å; S40-S44 PolarHBondContact OG-N 3.14Å; S40-R59 PolarHBondContact O-NH1 2.86Å | ||
| 41 | S | 97.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 71.7 Ų | 71.7 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -37.7 | 172.7 | 54.6 | 0 | 0 | 0 | 0 | 112 | S18 G43 R59 | S18-S41 WeakPolarHBondContact O-CB 3.03Å; S41-G43 VanDerWaalsContact C-N 3.33Å; S41-G43 PolarHBondContact O-N 3.24Å; S41-R59 PolarHBondContact O-NH1 2.96Å |
| 42 | G | 95.8 | Very high | 96.8 | Very high | 72 Ų | 72 | 70.1 Ų | 70.1 | 74% | 0.742 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -0.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S40 | S40-G42 PolarHBondContact O-N 3.27Å; S40-G42 PolarHBondContact OG-N 2.99Å |
| 43 | G | 96.8 | Very high | 97 | Very high | 34 Ų | 34 | 66.1 Ų | 66.1 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | trans | 93.1 | -0.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116 | S40 S41 T45 | S40-G43 PolarHBondContact O-N 2.83Å; S40-G43 PolarHBondContact OG-N 3.02Å; S41-G43 VanDerWaalsContact C-N 3.33Å; S41-G43 PolarHBondContact O-N 3.24Å; G43-T45 PolarHBondContact O-N 3.13Å | ||
| 44 | S | 98.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 62.1 Ų | 62.1 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | trans | -65.3 | 130.2 | 173.7 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | I39 S40 | I39-S44 WeakPolarHBondContact CA-O 3.47Å; S40-S44 PolarHBondContact N-O 2.69Å; S40-S44 PolarHBondContact OG-N 3.14Å | ||
| 45 | T | 98.7 | Very high | 97.3 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 43% | 0.429 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 145 | -176.2 | 59 | 0 | 0 | 0 | 0 | 112.7 | S38 I39 G43 Y47 I57 | S38-T45 CarbonylContact O-C 3.59Å; S38-T45 VanDerWaalsContact O-CA 3.27Å; S38-T45 WeakPolarHBondContact O-CA 3.46Å; I39-T45 HydrophobicContact CB-CG2 4.35Å; I39-T45 HydrophobicContact CD1-CG2 3.96Å; I39-T45 HydrophobicContact CG1-CG2 3.99Å; G43-T45 PolarHBondContact O-N 3.13Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.42Å; T45-I57 HydrophobicContact CG2-CG2 3.79Å |
| 46 | Y | 98.4 | Very high | 97.4 | Very high | 144 Ų | 144 | 55 Ų | 55 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.8 | 170.3 | 171.6 | -96.3 | 0 | 0 | 0 | 110.7 | A37 S38 P48 | A37-Y46 WeakPolarHBondContact CA-O 3.3Å; S38-Y46 PolarHBondContact N-O 2.8Å; S38-Y46 PolarHBondContact O-N 3.32Å; Y46-P48 HydrophobicContact CE1-CG 4.38Å |
| 47 | Y | 98.4 | Very high | 97.5 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | trans | -138 | 131 | 176.1 | -55.2 | -83.3 | 0 | 0 | 0 | 109.5 | A37 T45 T56 I57 | A37-Y47 HydrophobicContact CB-CD1 3.7Å; A37-Y47 HydrophobicContact CB-CE1 3.73Å; T45-Y47 WeakPolarHBondContact OG1-CE2 3.42Å; Y47-T56 WeakPolarHBondContact OH-CA 3.27Å; Y47-I57 HydrophobicContact CE1-CB 4.33Å; Y47-I57 HydrophobicContact CE1-CG2 3.91Å; Y47-I57 WeakPolarHBondContact OH-CG2 3.47Å; Y47-I57 PolarHBondContact OH-N 3.13Å | ||
| 48 | P | 97.2 | Very high | 97.5 | Very high | 20 Ų | 20 | 57 Ų | 57 | 13% | 0.13 | 36% | 0.361 | C | S | . | . | trans | -65.1 | 154.2 | 166.1 | 0.2 | 9.9 | 0 | 0 | 0 | 111.6 | W35 V36 Y46 S50 V51 K52 | W35-P48 WeakPolarHBondContact O-CG 3.37Å; V36-P48 WeakPolarHBondContact O-CD 3.4Å; Y46-P48 HydrophobicContact CE1-CG 4.38Å; P48-S50 PolarHBondContact O-N 2.81Å; P48-S50 VanDerWaalsContact O-N 3.14Å; P48-V51 HydrophobicContact CG-CG2 4.34Å; P48-V51 PolarHBondContact O-N 2.84Å; P48-V51 VanDerWaalsContact O-N 3.13Å; P48-K52 WeakPolarHBondContact O-CB 3.4Å; P48-K52 PolarHBondContact O-N 2.8Å | ||
| 49 | D | 96.6 | Very high | 97.5 | Very high | 138 Ų | 138 | 57.6 Ų | 57.6 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.2 | -176.9 | -67.8 | -31.1 | 0 | 0 | 0 | 113.7 | V51 | D49-V51 PolarHBondContact O-N 2.88Š|
| 50 | S | 94.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31 | 177.5 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | P48 R54 | P48-S50 PolarHBondContact O-N 2.81Å; P48-S50 VanDerWaalsContact O-N 3.14Å; S50-R54 PolarHBondContact O-NH2 2.85Å |
| 51 | V | 96.2 | Very high | 97.4 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -5.8 | -174.6 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | V36 P48 D49 G53 R54 F55 | V36-V51 VanDerWaalsContact O-CG2 3.24Å; V36-V51 WeakPolarHBondContact O-CG2 3.33Å; P48-V51 HydrophobicContact CG-CG2 4.34Å; P48-V51 PolarHBondContact O-N 2.84Å; P48-V51 VanDerWaalsContact O-N 3.13Å; D49-V51 PolarHBondContact O-N 2.88Å; V51-G53 PolarHBondContact O-N 2.75Å; V51-R54 WeakPolarHBondContact O-CB 3.24Å; V51-R54 PolarHBondContact O-N 2.76Å; V51-F55 HydrophobicContact CB-CB 4.22Å; V51-F55 HydrophobicContact CB-CD1 4.49Å; V51-F55 HydrophobicContact CB-CD2 3.61Å; V51-F55 HydrophobicContact CB-CE2 3.99Å; V51-F55 HydrophobicContact CB-CG 3.87Å; V51-F55 HydrophobicContact CG1-CD2 3.64Å; V51-F55 HydrophobicContact CG1-CE2 3.49Å; V51-F55 VanDerWaalsContact CG1-CE2 3.49Å; V51-F55 HydrophobicContact CG1-CG 4.32Å; V51-F55 HydrophobicContact CG1-CZ 4.07Å; V51-F55 HydrophobicContact CG2-CD2 4.18Å; V51-F55 PolarHBondContact O-N 3.29Å |
| 52 | K | 96.1 | Very high | 97.4 | Very high | 136 Ų | 136 | 61.5 Ų | 61.5 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 131.9 | -179.6 | -166.5 | 172.1 | -174.8 | 176.3 | 0 | 111.1 | P48 R54 | P48-K52 WeakPolarHBondContact O-CB 3.4Å; P48-K52 PolarHBondContact O-N 2.8Å; K52-R54 PolarHBondContact O-N 2.92Å |
| 53 | G | 96.3 | Very high | 97.5 | Very high | 81 Ų | 81 | 66.3 Ų | 66.3 | 84% | 0.835 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -4.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V51 | V51-G53 PolarHBondContact O-N 2.75Š|
| 54 | R | 97.3 | Very high | 97.6 | Very high | 26 Ų | 26 | 67.6 Ų | 67.6 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -39.7 | 175.8 | -58.7 | -169.4 | -59.2 | 112.2 | -1.8 | 112 | S50 V51 K52 S71 S72 D77 | S50-R54 PolarHBondContact O-NH2 2.85Å; V51-R54 WeakPolarHBondContact O-CB 3.24Å; V51-R54 PolarHBondContact O-N 2.76Å; K52-R54 PolarHBondContact O-N 2.92Å; R54-S71 VanDerWaalsContact O-CB 3.32Å; R54-S71 WeakPolarHBondContact O-CB 3.32Å; R54-S71 PolarHBondContact O-N 3.35Å; R54-S72 PolarHBondContact NH1-O 3.23Å; R54-S72 VanDerWaalsContact NH1-O 3.1Å; R54-D77 IonicContact CZ-OD1 3.61Å; R54-D77 IonicContact CZ-OD2 3.5Å; R54-D77 IonicContact NH1-OD1 3.53Å; R54-D77 IonicContact NH1-OD2 2.69Å; R54-D77 PolarHBondContact NH1-OD2 2.96Å; R54-D77 IonicContact NH2-OD1 2.78Å; R54-D77 PolarHBondContact NH2-OD1 3.19Å; R54-D77 IonicContact NH2-OD2 3.43Å; R54-D77 PolarHBondContact NH2-OD2 2.73Å |
| 55 | F | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 65 Ų | 65 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 154.6 | -177.2 | -63.7 | 3.7 | 0 | 0 | 0 | 111.3 | V36 V51 L68 Q69 M70 L73 D77 | V36-F55 HydrophobicContact CG1-CD2 3.64Å; V36-F55 HydrophobicContact CG1-CE2 4Å; V51-F55 HydrophobicContact CB-CB 4.22Å; V51-F55 HydrophobicContact CB-CD1 4.49Å; V51-F55 HydrophobicContact CB-CD2 3.61Å; V51-F55 HydrophobicContact CB-CE2 3.99Å; V51-F55 HydrophobicContact CB-CG 3.87Å; V51-F55 HydrophobicContact CG1-CD2 3.64Å; V51-F55 HydrophobicContact CG1-CE2 3.49Å; V51-F55 VanDerWaalsContact CG1-CE2 3.49Å; V51-F55 HydrophobicContact CG1-CG 4.32Å; V51-F55 HydrophobicContact CG1-CZ 4.07Å; V51-F55 HydrophobicContact CG2-CD2 4.18Å; V51-F55 PolarHBondContact O-N 3.29Å; F55-L68 HydrophobicContact CB-CD1 4.31Å; F55-Q69 CarbonylContact C-O 3.48Å; F55-Q69 VanDerWaalsContact CA-O 3.25Å; F55-Q69 WeakPolarHBondContact CA-O 3.48Å; F55-M70 HydrophobicContact CD1-CB 3.81Å; F55-M70 HydrophobicContact CD1-CG 4.14Å; F55-M70 HydrophobicContact CD2-CE 4.31Å; F55-M70 HydrophobicContact CD2-CG 4.14Å; F55-M70 HydrophobicContact CE1-CB 3.74Å; F55-M70 HydrophobicContact CE1-CE 4.17Å; F55-M70 HydrophobicContact CE1-CG 4.19Å; F55-M70 HydrophobicContact CE2-CE 3.47Å; F55-M70 VanDerWaalsContact CE2-CE 3.47Å; F55-M70 HydrophobicContact CE2-CG 4.17Å; F55-M70 HydrophobicContact CG-CB 4.32Å; F55-M70 HydrophobicContact CG-CG 4.16Å; F55-M70 HydrophobicContact CZ-CB 4.16Å; F55-M70 HydrophobicContact CZ-CE 3.4Å; F55-M70 VanDerWaalsContact CZ-CE 3.4Å; F55-M70 HydrophobicContact CZ-CG 4.21Å; F55-L73 HydrophobicContact CE1-CD2 4.12Å; F55-L73 HydrophobicContact CZ-CD2 4.09Å; F55-D77 HydrophobicContact CZ-CB 4.06Å |
| 56 | T | 98.6 | Very high | 97.6 | Very high | 75 Ų | 75 | 61.8 Ų | 61.8 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 118.7 | 178.8 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | Y47 Q69 | Y47-T56 WeakPolarHBondContact OH-CA 3.27Å; T56-Q69 PolarHBondContact N-O 3.26Å; T56-Q69 PolarHBondContact O-N 3.4Å |
| 57 | I | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.5 | 171.5 | -167.6 | 171.6 | 0 | 0 | 0 | 109 | A37 I39 T45 Y47 L66 Y67 L68 | A37-I57 HydrophobicContact CB-CB 3.77Å; A37-I57 HydrophobicContact CB-CD1 4.09Å; A37-I57 HydrophobicContact CB-CG1 4.48Å; A37-I57 HydrophobicContact CB-CG2 3.95Å; I39-I57 HydrophobicContact CB-CD1 4.1Å; I39-I57 HydrophobicContact CB-CG1 4.34Å; I39-I57 HydrophobicContact CB-CG2 4.03Å; I39-I57 HydrophobicContact CG2-CD1 3.77Å; I39-I57 HydrophobicContact CG2-CG1 4.08Å; T45-I57 HydrophobicContact CG2-CG2 3.79Å; Y47-I57 HydrophobicContact CE1-CB 4.33Å; Y47-I57 HydrophobicContact CE1-CG2 3.91Å; Y47-I57 WeakPolarHBondContact OH-CG2 3.47Å; Y47-I57 PolarHBondContact OH-N 3.13Å; I57-L66 HydrophobicContact CD1-CD1 3.98Å; I57-L66 HydrophobicContact CD1-CD2 4.32Å; I57-L66 HydrophobicContact CD1-CG 4.4Å; I57-L66 HydrophobicContact CG1-CD1 3.94Å; I57-L66 HydrophobicContact CG1-CG 4.39Å; I57-Y67 WeakPolarHBondContact CA-O 3.42Å; I57-L68 HydrophobicContact CB-CD1 4.39Å |
| 58 | S | 98.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 33% | 0.329 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 159.4 | 174 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | Y67 | S58-Y67 PolarHBondContact N-O 3.46Å; S58-Y67 PolarHBondContact O-N 3.46Å |
| 59 | R | 98.3 | Very high | 97.7 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.9 | -176.7 | 69.1 | -173.8 | -56.1 | -153.2 | 6.5 | 111.1 | F17 S18 Y20 I39 S40 S41 N61 L66 | F17-R59 HydrophobicContact CE1-CB 4.04Å; F17-R59 HydrophobicContact CZ-CB 4.12Å; F17-R59 PolarHBondContact O-NH2 2.99Å; S18-R59 VanDerWaalsContact CA-NH2 3.32Å; S18-R59 PolarHBondContact O-NH1 3.42Å; Y20-R59 PolarHBondContact O-NH2 2.92Å; I39-R59 HydrophobicContact CD1-CB 4.34Å; I39-R59 HydrophobicContact CD1-CG 3.83Å; S40-R59 PolarHBondContact O-NH1 2.86Å; S41-R59 PolarHBondContact O-NH1 2.96Å; R59-N61 PolarHBondContact NE-OD1 3.48Å; R59-N61 PolarHBondContact NH2-OD1 2.98Å; R59-L66 HydrophobicContact CB-CD1 4.11Å |
| 60 | D | 97.9 | Very high | 97.7 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 102.7 | 172.1 | -175.3 | -22 | 0 | 0 | 0 | 108.7 | A62 R63 N64 I65 Y67 | D60-A62 VanDerWaalsContact C-N 3.32Å; D60-A62 PolarHBondContact OD1-N 3.25Å; D60-R63 HydrophobicContact CB-CB 4.32Å; D60-R63 PolarHBondContact O-N 2.82Å; D60-R63 PolarHBondContact OD1-N 3.07Å; D60-R63 WeakPolarHBondContact OD2-CD 3.21Å; D60-R63 VanDerWaalsContact OD2-CG 3.3Å; D60-R63 WeakPolarHBondContact OD2-CG 3.38Å; D60-R63 IonicContact OD2-CZ 3.58Å; D60-R63 IonicContact OD2-NE 3.76Å; D60-R63 IonicContact OD2-NH1 2.69Å; D60-R63 PolarHBondContact OD2-NH1 3.46Å; D60-N64 WeakPolarHBondContact O-CA 3.39Å; D60-N64 PolarHBondContact O-N 2.85Å; D60-I65 PolarHBondContact N-O 3.49Å; D60-I65 PolarHBondContact O-N 3.46Å; D60-Y67 HydrophobicContact CB-CE2 4.09Å |
| 61 | N | 97.6 | Very high | 97.8 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -25.4 | -178.3 | -69.4 | -19.8 | 0 | 0 | 0 | 113 | F17 R59 N64 | F17-N61 WeakPolarHBondContact CD1-OD1 3.05Å; F17-N61 WeakPolarHBondContact CE1-OD1 3.08Å; R59-N61 PolarHBondContact NE-OD1 3.48Å; R59-N61 PolarHBondContact NH2-OD1 2.98Å; N61-N64 PolarHBondContact O-OD1 3.03Å |
| 62 | A | 97.1 | Very high | 97.8 | Very high | 95 Ų | 95 | 52.5 Ų | 52.5 | 79% | 0.785 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -32.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | D60 | D60-A62 VanDerWaalsContact C-N 3.32Å; D60-A62 PolarHBondContact OD1-N 3.25Å |
| 63 | R | 97.8 | Very high | 97.7 | Very high | 173 Ų | 173 | 47.8 Ų | 47.8 | 65% | 0.653 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -7.1 | 179.8 | -59.2 | -173.6 | 179.1 | 101.4 | -2.5 | 114 | D60 I65 | D60-R63 HydrophobicContact CB-CB 4.32Å; D60-R63 PolarHBondContact O-N 2.82Å; D60-R63 PolarHBondContact OD1-N 3.07Å; D60-R63 WeakPolarHBondContact OD2-CD 3.21Å; D60-R63 VanDerWaalsContact OD2-CG 3.3Å; D60-R63 WeakPolarHBondContact OD2-CG 3.38Å; D60-R63 IonicContact OD2-CZ 3.58Å; D60-R63 IonicContact OD2-NE 3.76Å; D60-R63 IonicContact OD2-NH1 2.69Å; D60-R63 PolarHBondContact OD2-NH1 3.46Å; R63-I65 VanDerWaalsContact C-N 3.3Å; R63-I65 HydrophobicContact CB-CD1 3.9Å; R63-I65 HydrophobicContact CB-CG1 3.98Å; R63-I65 WeakPolarHBondContact O-CG1 3.3Å; R63-I65 PolarHBondContact O-N 2.96Å |
| 64 | N | 98.2 | Very high | 97.6 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 33% | 0.326 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42.3 | -171.6 | -57 | -36.9 | 0 | 0 | 0 | 112.8 | A12 F17 D60 N61 | A12-N64 PolarHBondContact N-O 2.84Å; F17-N64 HydrophobicContact CB-CB 3.98Å; F17-N64 VanDerWaalsContact CB-OD1 3.31Å; F17-N64 WeakPolarHBondContact CB-OD1 3.45Å; F17-N64 HydrophobicContact CG-CB 4.12Å; D60-N64 WeakPolarHBondContact O-CA 3.39Å; D60-N64 PolarHBondContact O-N 2.85Å; N61-N64 PolarHBondContact O-OD1 3.03Å |
| 65 | I | 98.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 53 Ų | 53 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.5 | -178.7 | -56.4 | 173.5 | 0 | 0 | 0 | 110.7 | C10 A11 D60 R63 Y67 | C10-I65 CarbonylContact O-C 3.57Å; C10-I65 WeakPolarHBondContact O-CA 3.36Å; A11-I65 HydrophobicContact CB-CG1 4.23Å; D60-I65 PolarHBondContact N-O 3.49Å; D60-I65 PolarHBondContact O-N 3.46Å; R63-I65 VanDerWaalsContact C-N 3.3Å; R63-I65 HydrophobicContact CB-CD1 3.9Å; R63-I65 HydrophobicContact CB-CG1 3.98Å; R63-I65 WeakPolarHBondContact O-CG1 3.3Å; R63-I65 PolarHBondContact O-N 2.96Å; I65-Y67 HydrophobicContact CB-CE1 4.49Å; I65-Y67 HydrophobicContact CB-CE2 4.02Å; I65-Y67 HydrophobicContact CG2-CD1 3.97Å; I65-Y67 HydrophobicContact CG2-CD2 4.21Å; I65-Y67 HydrophobicContact CG2-CE1 3.46Å; I65-Y67 VanDerWaalsContact CG2-CE1 3.46Å; I65-Y67 HydrophobicContact CG2-CE2 3.73Å; I65-Y67 HydrophobicContact CG2-CG 4.33Å |
| 66 | L | 98.7 | Very high | 97 | Very high | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135.9 | 167.2 | -170.3 | 72 | 0 | 0 | 0 | 109.5 | S9 C10 F17 M22 W24 I39 I57 R59 | S9-L66 CarbonylContact C-O 3.59Å; S9-L66 VanDerWaalsContact CA-O 3.3Å; S9-L66 WeakPolarHBondContact CA-O 3.4Å; C10-L66 HydrophobicContact CB-CB 4.34Å; C10-L66 PolarHBondContact N-O 2.88Å; C10-L66 PolarHBondContact O-N 2.88Å; F17-L66 HydrophobicContact CE2-CB 4.35Å; F17-L66 HydrophobicContact CZ-CB 4.22Å; M22-L66 HydrophobicContact CB-CD1 3.71Å; M22-L66 HydrophobicContact CB-CD2 3.82Å; M22-L66 HydrophobicContact CB-CG 4.34Å; M22-L66 HydrophobicContact CG-CD1 4.43Å; W24-L66 HydrophobicContact CG-CD2 4.49Å; W24-L66 VanDerWaalsContact NE1-CD2 3.32Å; I39-L66 HydrophobicContact CG2-CD1 3.68Å; I57-L66 HydrophobicContact CD1-CD1 3.98Å; I57-L66 HydrophobicContact CD1-CD2 4.32Å; I57-L66 HydrophobicContact CD1-CG 4.4Å; I57-L66 HydrophobicContact CG1-CD1 3.94Å; I57-L66 HydrophobicContact CG1-CG 4.39Å; R59-L66 HydrophobicContact CB-CD1 4.11Å |
| 67 | Y | 98.7 | Very high | 96.8 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.2 | 177.1 | -59.5 | -76.7 | 0 | 0 | 0 | 111.3 | K7 L8 I57 S58 D60 I65 | K7-Y67 VanDerWaalsContact CE-CD1 3.44Å; L8-Y67 VanDerWaalsContact O-CA 3.28Å; L8-Y67 WeakPolarHBondContact O-CA 3.45Å; I57-Y67 WeakPolarHBondContact CA-O 3.42Å; S58-Y67 PolarHBondContact N-O 3.46Å; S58-Y67 PolarHBondContact O-N 3.46Å; D60-Y67 HydrophobicContact CB-CE2 4.09Å; I65-Y67 HydrophobicContact CB-CE1 4.49Å; I65-Y67 HydrophobicContact CB-CE2 4.02Å; I65-Y67 HydrophobicContact CG2-CD1 3.97Å; I65-Y67 HydrophobicContact CG2-CD2 4.21Å; I65-Y67 HydrophobicContact CG2-CE1 3.46Å; I65-Y67 VanDerWaalsContact CG2-CE1 3.46Å; I65-Y67 HydrophobicContact CG2-CE2 3.73Å; I65-Y67 HydrophobicContact CG2-CG 4.33Å |
| 68 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 108.3 | 166.1 | -173.5 | 68.2 | 0 | 0 | 0 | 108.7 | K7 L8 W24 V36 A37 F55 I57 M70 Y81 | K7-L68 CarbonylContact C-O 3.48Å; K7-L68 WeakPolarHBondContact CA-O 3.32Å; L8-L68 HydrophobicContact CB-CB 4.25Å; L8-L68 HydrophobicContact CD1-CD2 4.3Å; L8-L68 PolarHBondContact N-O 3.06Å; L8-L68 PolarHBondContact O-N 3.3Å; W24-L68 HydrophobicContact CB-CD2 4.21Å; W24-L68 HydrophobicContact CD2-CB 4.16Å; W24-L68 HydrophobicContact CD2-CD2 4.3Å; W24-L68 HydrophobicContact CG-CB 4.14Å; W24-L68 HydrophobicContact CG-CD1 4.49Å; W24-L68 HydrophobicContact CG-CD2 4.02Å; W24-L68 HydrophobicContact CG-CG 4.46Å; W24-L68 HydrophobicContact CZ2-CB 4.35Å; V36-L68 HydrophobicContact CG1-CD1 4.38Å; V36-L68 HydrophobicContact CG1-CD2 3.84Å; A37-L68 HydrophobicContact CB-CD1 4.07Å; F55-L68 HydrophobicContact CB-CD1 4.31Å; I57-L68 HydrophobicContact CB-CD1 4.39Å; L68-M70 HydrophobicContact CD2-CG 3.82Å; L68-M70 HydrophobicContact CD2-SD 3.96Å; L68-M70 HydrophobicContact CG-CG 3.79Å; L68-M70 HydrophobicContact CG-SD 4.48Å; L68-Y81 HydrophobicContact CD2-CD1 4.28Å; L68-Y81 HydrophobicContact CD2-CE1 4.34Å |
| 69 | Q | 98.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 123.5 | 167.7 | -177.8 | 63.9 | 43.9 | 0 | 0 | 108.1 | L6 F55 T56 | L6-Q69 PolarHBondContact O-NE2 3.01Å; F55-Q69 CarbonylContact C-O 3.48Å; F55-Q69 VanDerWaalsContact CA-O 3.25Å; F55-Q69 WeakPolarHBondContact CA-O 3.48Å; T56-Q69 PolarHBondContact N-O 3.26Å; T56-Q69 PolarHBondContact O-N 3.4Å |
| 70 | M | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114.8 | -179.7 | -56.1 | 168.9 | 76.3 | 0 | 0 | 108.1 | S5 L6 L8 F55 L68 L73 Y81 | S5-M70 CarbonylContact C-O 3.51Å; S5-M70 WeakPolarHBondContact CA-O 3.4Å; S5-M70 WeakPolarHBondContact CB-O 3.47Å; L6-M70 PolarHBondContact N-O 3.49Å; L6-M70 PolarHBondContact O-N 3.42Å; L8-M70 HydrophobicContact CD1-SD 3.97Å; L8-M70 HydrophobicContact CG-SD 4.11Å; F55-M70 HydrophobicContact CD1-CB 3.81Å; F55-M70 HydrophobicContact CD1-CG 4.14Å; F55-M70 HydrophobicContact CD2-CE 4.31Å; F55-M70 HydrophobicContact CD2-CG 4.14Å; F55-M70 HydrophobicContact CE1-CB 3.74Å; F55-M70 HydrophobicContact CE1-CE 4.17Å; F55-M70 HydrophobicContact CE1-CG 4.19Å; F55-M70 HydrophobicContact CE2-CE 3.47Å; F55-M70 VanDerWaalsContact CE2-CE 3.47Å; F55-M70 HydrophobicContact CE2-CG 4.17Å; F55-M70 HydrophobicContact CG-CB 4.32Å; F55-M70 HydrophobicContact CG-CG 4.16Å; F55-M70 HydrophobicContact CZ-CB 4.16Å; F55-M70 HydrophobicContact CZ-CE 3.4Å; F55-M70 VanDerWaalsContact CZ-CE 3.4Å; F55-M70 HydrophobicContact CZ-CG 4.21Å; L68-M70 HydrophobicContact CD2-CG 3.82Å; L68-M70 HydrophobicContact CD2-SD 3.96Å; L68-M70 HydrophobicContact CG-CG 3.79Å; L68-M70 HydrophobicContact CG-SD 4.48Å; M70-L73 HydrophobicContact CB-CD2 3.87Å; M70-L73 HydrophobicContact CB-CG 4.42Å; M70-L73 HydrophobicContact CE-CD2 3.57Å; M70-L73 HydrophobicContact SD-CD2 4.45Å; M70-Y81 HydrophobicContact CE-CE1 3.81Å; M70-Y81 HydrophobicContact CE-CE2 3.87Å; M70-Y81 WeakPolarHBondContact CE-OH 3.43Å |
| 71 | S | 96.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | trans | -112.8 | 157.8 | 178.2 | -53.8 | 0 | 0 | 0 | 0 | 110.2 | R54 L73 | R54-S71 VanDerWaalsContact O-CB 3.32Å; R54-S71 WeakPolarHBondContact O-CB 3.32Å; R54-S71 PolarHBondContact O-N 3.35Å; S71-L73 VanDerWaalsContact C-N 3.28Å; S71-L73 PolarHBondContact O-N 2.87Å | ||
| 72 | S | 95.2 | Very high | 96.2 | Very high | 70 Ų | 70 | 69.1 Ų | 69.1 | 49% | 0.49 | 36% | 0.355 | S | S | . | . | S | Bend | trans | 51 | 49.1 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | G4 R54 | G4-S72 PolarHBondContact O-N 3.04Å; R54-S72 PolarHBondContact NH1-O 3.23Å; R54-S72 VanDerWaalsContact NH1-O 3.1Å |
| 73 | L | 95.7 | Very high | 96.2 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | trans | -57.5 | 137.2 | -179.2 | -75.7 | 169.3 | 0 | 0 | 0 | 111 | P2 G3 G4 L6 F55 M70 S71 D77 | P2-L73 CarbonylContact C-O 3.5Å; P2-L73 WeakPolarHBondContact CA-O 3.34Å; G3-L73 PolarHBondContact N-O 3.26Å; G4-L73 WeakPolarHBondContact O-CG 3.32Å; G4-L73 PolarHBondContact O-N 2.87Å; L6-L73 HydrophobicContact CB-CD1 4.07Å; F55-L73 HydrophobicContact CE1-CD2 4.12Å; F55-L73 HydrophobicContact CZ-CD2 4.09Å; M70-L73 HydrophobicContact CB-CD2 3.87Å; M70-L73 HydrophobicContact CB-CG 4.42Å; M70-L73 HydrophobicContact CE-CD2 3.57Å; M70-L73 HydrophobicContact SD-CD2 4.45Å; S71-L73 VanDerWaalsContact C-N 3.28Å; S71-L73 PolarHBondContact O-N 2.87Å; L73-D77 HydrophobicContact CD2-CB 4.08Å | ||
| 74 | R | 94.4 | Very high | 96.1 | Very high | 139 Ų | 139 | 62.3 Ų | 62.3 | 53% | 0.525 | 32% | 0.317 | S | S | . | . | trans | -114.8 | 168.9 | 176.5 | -50.5 | 178.6 | 175.3 | 169.3 | -2.6 | 109.9 | E76 D77 | R74-E76 WeakPolarHBondContact CB-OE2 3.46Å; R74-E76 PolarHBondContact O-N 3.38Å; R74-D77 PolarHBondContact N-OD2 3.28Å; R74-D77 PolarHBondContact O-N 3.27Å | ||
| 75 | S | 91.6 | Very high | 96 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -64 | -32.8 | 178.6 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | D77 T78 | S75-D77 PolarHBondContact O-N 2.81Å; S75-T78 VanDerWaalsContact O-CB 3.31Å; S75-T78 WeakPolarHBondContact O-CB 3.48Å; S75-T78 PolarHBondContact O-N 2.9Å; S75-T78 PolarHBondContact O-OG1 3.38Å |
| 76 | E | 91.1 | Very high | 95.8 | Very high | 149 Ų | 149 | 64 Ų | 64 | 70% | 0.696 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -69.4 | -18.4 | 179 | -54.3 | 75.2 | -158.3 | 0 | 0 | 112.7 | R74 T78 | R74-E76 WeakPolarHBondContact CB-OE2 3.46Å; R74-E76 PolarHBondContact O-N 3.38Å; E76-T78 PolarHBondContact O-N 2.74Å |
| 77 | D | 93.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 67.8 Ų | 67.8 | 10% | 0.102 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -80.1 | 8.1 | 174.8 | -55.2 | -48.6 | 0 | 0 | 0 | 112.2 | R54 F55 L73 R74 S75 A79 Y81 | R54-D77 IonicContact CZ-OD1 3.61Å; R54-D77 IonicContact CZ-OD2 3.5Å; R54-D77 IonicContact NH1-OD1 3.53Å; R54-D77 IonicContact NH1-OD2 2.69Å; R54-D77 PolarHBondContact NH1-OD2 2.96Å; R54-D77 IonicContact NH2-OD1 2.78Å; R54-D77 PolarHBondContact NH2-OD1 3.19Å; R54-D77 IonicContact NH2-OD2 3.43Å; R54-D77 PolarHBondContact NH2-OD2 2.73Å; F55-D77 HydrophobicContact CZ-CB 4.06Å; L73-D77 HydrophobicContact CD2-CB 4.08Å; R74-D77 PolarHBondContact N-OD2 3.28Å; R74-D77 PolarHBondContact O-N 3.27Å; S75-D77 PolarHBondContact O-N 2.81Å; D77-A79 PolarHBondContact O-N 3.11Å; D77-Y81 PolarHBondContact O-OH 2.77Å |
| 78 | T | 93.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 69.2 Ų | 69.2 | 57% | 0.571 | 36% | 0.355 | S | S | * | . | trans | -77.5 | 105.4 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | S75 E76 | S75-T78 VanDerWaalsContact O-CB 3.31Å; S75-T78 WeakPolarHBondContact O-CB 3.48Å; S75-T78 PolarHBondContact O-N 2.9Å; S75-T78 PolarHBondContact O-OG1 3.38Å; E76-T78 PolarHBondContact O-N 2.74Å | ||
| 79 | A | 95.2 | Very high | 95.2 | Very high | 29 Ų | 29 | 74.1 Ų | 74.1 | 24% | 0.24 | 38% | 0.38 | C | S | . | . | trans | -151.4 | 164.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q27 D77 Y81 | Q27-A79 CarbonylContact O-C 3.53Å; Q27-A79 VanDerWaalsContact O-CA 3.28Å; Q27-A79 WeakPolarHBondContact O-CA 3.31Å; Q27-A79 VanDerWaalsContact O-CB 3.31Å; Q27-A79 WeakPolarHBondContact O-CB 3.48Å; D77-A79 PolarHBondContact O-N 3.11Å; A79-Y81 HydrophobicContact CB-CE2 4.02Å; A79-Y81 VanDerWaalsContact O-CD2 3.31Å; A79-Y81 WeakPolarHBondContact O-CD2 3.33Å; A79-Y81 WeakPolarHBondContact O-CE2 3.45Å | ||
| 80 | M | 96.9 | Very high | 95 | Very high | 120 Ų | 120 | 74.9 Ų | 74.9 | 59% | 0.591 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 128.1 | 160.3 | -68.6 | -58.5 | -60.3 | 0 | 0 | 108.9 | G26 Q27 Y82 | G26-M80 CarbonylContact C-O 3.57Å; G26-M80 WeakPolarHBondContact CA-O 3.31Å; Q27-M80 HydrophobicContact CB-CB 4.4Å; Q27-M80 PolarHBondContact N-O 3.29Å; Q27-M80 PolarHBondContact O-N 3.14Å; M80-Y82 HydrophobicContact CB-CE2 3.81Å |
| 81 | Y | 97.3 | Very high | 94.7 | Very high | 52 Ų | 52 | 80.9 Ų | 80.9 | 20% | 0.204 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.4 | -176.6 | -71.8 | -91 | 0 | 0 | 0 | 111.2 | L8 V25 V36 L68 M70 D77 A79 | L8-Y81 HydrophobicContact CD1-CD1 4.15Å; L8-Y81 HydrophobicContact CD1-CD2 4.11Å; L8-Y81 HydrophobicContact CD1-CG 3.7Å; V25-Y81 WeakPolarHBondContact O-CA 3.07Å; V36-Y81 HydrophobicContact CG1-CE1 4.23Å; V36-Y81 HydrophobicContact CG2-CD1 4.23Å; V36-Y81 HydrophobicContact CG2-CE1 3.8Å; L68-Y81 HydrophobicContact CD2-CD1 4.28Å; L68-Y81 HydrophobicContact CD2-CE1 4.34Å; M70-Y81 HydrophobicContact CE-CE1 3.81Å; M70-Y81 HydrophobicContact CE-CE2 3.87Å; M70-Y81 WeakPolarHBondContact CE-OH 3.43Å; D77-Y81 PolarHBondContact O-OH 2.77Å; A79-Y81 HydrophobicContact CB-CE2 4.02Å; A79-Y81 VanDerWaalsContact O-CD2 3.31Å; A79-Y81 WeakPolarHBondContact O-CD2 3.33Å; A79-Y81 WeakPolarHBondContact O-CE2 3.45Å |
| 82 | Y | 96.3 | Very high | 94.6 | Very high | 145 Ų | 145 | 84.6 Ų | 84.6 | 57% | 0.569 | 43% | 0.43 | S | S | * | . | trans | -123.4 | 0 | -179.4 | -57.5 | -88 | 0 | 0 | 0 | 110.9 | W24 V25 Q27 M80 | W24-Y82 CarbonylContact C-O 3.5Å; W24-Y82 VanDerWaalsContact CA-O 3.3Å; W24-Y82 WeakPolarHBondContact CA-O 3.32Å; V25-Y82 PolarHBondContact N-O 2.97Å; V25-Y82 PolarHBondContact O-N 3.38Å; Q27-Y82 HydrophobicContact CB-CE2 3.77Å; Q27-Y82 PolarHBondContact OE1-OH 2.97Å; M80-Y82 HydrophobicContact CB-CE2 3.81Å |
Retrieved 82 of 82 residues in 17.3 ms
(Link to these results)