| 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 | 51.8 | Low | 62.1 | Low | 190 Ų | 190 | 117.1 Ų | 117.1 | 94% | 0.936 | 59% | 0.588 | S | S | * | * | 0 | 56.6 | 0 | -59.4 | 171.3 | -174.9 | 0 | 0 | 110.3 | G3 M12 | M1-G3 PolarHBondContact O-N 3.46Å; M1-M12 HydrophobicContact CB-CE 4.03Å | |||
| 2 | R | 47 | Very low | 62.9 | Low | 253 Ų | 253 | 112.3 Ų | 112.3 | 96% | 0.955 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 104.1 | 177.5 | -63.2 | -175.1 | -167.9 | -172.4 | 2.9 | 107.1 | ||
| 3 | G | 52.3 | Low | 63.8 | Low | 75 Ų | 75 | 110.2 Ų | 110.2 | 77% | 0.773 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134 | 0 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | M1 W5 | M1-G3 PolarHBondContact O-N 3.46Å; G3-W5 PolarHBondContact O-N 2.83Å |
| 4 | L | 57 | Low | 64.8 | Low | 105 Ų | 105 | 107.8 Ų | 107.8 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | trans | -87.2 | 90 | 171.8 | -131.1 | 120.8 | 0 | 0 | 0 | 108.5 | I9 H11 | L4-I9 HydrophobicContact CD2-CD1 3.45Å; L4-I9 VanDerWaalsContact CD2-CD1 3.45Å; L4-I9 HydrophobicContact CD2-CG2 4.02Å; L4-H11 PolarHBondContact O-ND1 3.23Å | ||
| 5 | W | 63.4 | Low | 65.4 | Low | 203 Ų | 203 | 104.5 Ų | 104.5 | 77% | 0.769 | 54% | 0.535 | S | S | * | . | trans | -113.7 | 109.6 | 173.3 | -170.2 | 85 | 0 | 0 | 0 | 108.1 | G3 | G3-W5 PolarHBondContact O-N 2.83Š| ||
| 6 | H | 68.2 | Low | 66.2 | Low | 90 Ų | 90 | 104.9 Ų | 104.9 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | trans | -143.1 | 134.7 | 175.4 | -172.6 | -90.2 | 0 | 0 | 0 | 107.9 | N8 I9 | H6-N8 PolarHBondContact ND1-N 2.79Å; H6-N8 VanDerWaalsContact ND1-N 3.16Å; H6-N8 PolarHBondContact O-N 3.24Å; H6-I9 HydrophobicContact CB-CB 4.14Å; H6-I9 HydrophobicContact CB-CD1 3.79Å; H6-I9 HydrophobicContact CB-CG1 3.9Å; H6-I9 PolarHBondContact O-N 3.25Å | ||
| 7 | P | 66.4 | Low | 66.8 | Low | 74 Ų | 74 | 108.4 Ų | 108.4 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.8 | -175.6 | 22.4 | -34.2 | 0 | 0 | 0 | 114.4 | ||
| 8 | N | 64.3 | Low | 67.3 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 42% | 0.417 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 14.7 | 178.8 | -53.1 | -33.3 | 0 | 0 | 0 | 113.7 | H6 Y52 Q55 | H6-N8 PolarHBondContact ND1-N 2.79Å; H6-N8 VanDerWaalsContact ND1-N 3.16Å; H6-N8 PolarHBondContact O-N 3.24Å; N8-Y52 WeakPolarHBondContact ND2-CE1 3.18Å; N8-Q55 PolarHBondContact OD1-NE2 3.05Å |
| 9 | I | 70.5 | Confident | 67.8 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -121.6 | 124.2 | 174.8 | -60.4 | 177.4 | 0 | 0 | 0 | 107.3 | L4 H6 H11 | L4-I9 HydrophobicContact CD2-CD1 3.45Å; L4-I9 VanDerWaalsContact CD2-CD1 3.45Å; L4-I9 HydrophobicContact CD2-CG2 4.02Å; H6-I9 HydrophobicContact CB-CB 4.14Å; H6-I9 HydrophobicContact CB-CD1 3.79Å; H6-I9 HydrophobicContact CB-CG1 3.9Å; H6-I9 PolarHBondContact O-N 3.25Å; I9-H11 PolarHBondContact O-N 3.33Å; I9-H11 VanDerWaalsContact O-N 3.08Å |
| 10 | V | 70.6 | Confident | 67.9 | Low | 78 Ų | 78 | 114.2 Ų | 114.2 | 47% | 0.473 | 58% | 0.575 | S | S | . | * | trans | -54.4 | 118.5 | 176.2 | 172.9 | 0 | 0 | 0 | 0 | 108.8 | M12 T26 A29 | V10-M12 PolarHBondContact O-N 2.83Å; V10-T26 VanDerWaalsContact CG1-CB 3.49Å; V10-T26 HydrophobicContact CG1-CG2 4.05Å; V10-A29 HydrophobicContact CG2-CB 3.76Å | ||
| 11 | H | 71.3 | Confident | 67.7 | Low | 60 Ų | 60 | 112.6 Ų | 112.6 | 28% | 0.278 | 57% | 0.565 | S | S | . | * | trans | -77.3 | 129.9 | -173.9 | -165.2 | 61.1 | 0 | 0 | 0 | 110.1 | L4 I9 T26 D27 | L4-H11 PolarHBondContact O-ND1 3.23Å; I9-H11 PolarHBondContact O-N 3.33Å; I9-H11 VanDerWaalsContact O-N 3.08Å; H11-T26 CarbonylContact O-C 3.6Å; H11-T26 WeakPolarHBondContact O-CA 3.29Å; H11-T26 VanDerWaalsContact O-CB 3.28Å; H11-T26 WeakPolarHBondContact O-CB 3.43Å; H11-D27 WeakPolarHBondContact CB-OD2 3.11Å; H11-D27 PolarHBondContact O-N 3.22Å | ||
| 12 | M | 72 | Confident | 68.4 | Low | 59 Ų | 59 | 106.7 Ų | 106.7 | 29% | 0.291 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 115.3 | 174 | -172.6 | 179 | 77.6 | 0 | 0 | 109.2 | M1 V10 V24 | M1-M12 HydrophobicContact CB-CE 4.03Å; V10-M12 PolarHBondContact O-N 2.83Å; M12-V24 HydrophobicContact CG-CG1 3.49Å; M12-V24 VanDerWaalsContact CG-CG1 3.49Å; M12-V24 HydrophobicContact SD-CG1 3.61Å |
| 13 | L | 75 | Confident | 69.6 | Low | 86 Ų | 86 | 96 Ų | 96 | 45% | 0.45 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -46.5 | -178.8 | -61.3 | 173.5 | 0 | 0 | 0 | 111.1 | V25 | L13-V25 HydrophobicContact CB-CB 4.41Å; L13-V25 HydrophobicContact CB-CG1 4.15Å; L13-V25 WeakPolarHBondContact CB-O 3.33Å; L13-V25 HydrophobicContact CD1-CG1 4.19Å; L13-V25 PolarHBondContact N-O 2.86Å |
| 14 | D | 76.8 | Confident | 70.6 | Confident | 76 Ų | 76 | 94.5 Ų | 94.5 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 169.3 | 177 | -148.4 | -14.3 | 0 | 0 | 0 | 111.7 | F16 V25 | D14-F16 HydrophobicContact CB-CE2 3.94Å; D14-F16 HydrophobicContact CB-CZ 4.1Å; D14-F16 WeakPolarHBondContact OD2-CZ 3.18Å; D14-V25 HydrophobicContact CB-CB 4.4Å; D14-V25 PolarHBondContact N-O 3.06Å; D14-V25 PolarHBondContact O-N 3.43Å |
| 15 | S | 74.9 | Confident | 71.5 | Confident | 58 Ų | 58 | 90.7 Ų | 90.7 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 132.9 | 173.4 | 62.5 | 0 | 0 | 0 | 0 | 110.6 | V23 | S15-V23 CarbonylContact C-O 3.53Å; S15-V23 VanDerWaalsContact CA-O 3.29Å; S15-V23 WeakPolarHBondContact CA-O 3.28Å |
| 16 | F | 77.9 | Confident | 71.9 | Confident | 112 Ų | 112 | 82.4 Ų | 82.4 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.9 | 175.7 | -53.5 | -85.8 | 0 | 0 | 0 | 109.2 | D14 V23 V25 | D14-F16 HydrophobicContact CB-CE2 3.94Å; D14-F16 HydrophobicContact CB-CZ 4.1Å; D14-F16 WeakPolarHBondContact OD2-CZ 3.18Å; F16-V23 PolarHBondContact N-O 2.76Å; F16-V23 PolarHBondContact O-N 3.08Å; F16-V25 HydrophobicContact CD2-CG2 4.37Å; F16-V25 HydrophobicContact CE2-CG2 4.01Å |
| 17 | E | 75.6 | Confident | 72 | Confident | 163 Ų | 163 | 82 Ų | 82 | 76% | 0.762 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.4 | 176.4 | -175.5 | 170.2 | -174.4 | 0 | 0 | 108.9 | V22 | E17-V22 HydrophobicContact CB-CG2 4.47Å; E17-V22 HydrophobicContact CG-CG2 4.03Å |
| 18 | T | 75.8 | Confident | 72 | Confident | 68 Ų | 68 | 84.6 Ų | 84.6 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 168.4 | 166.1 | 73 | 0 | 0 | 0 | 0 | 108.1 | K20 E21 | T18-K20 PolarHBondContact O-N 2.98Å; T18-K20 PolarHBondContact OG1-N 3.5Å; T18-E21 PolarHBondContact N-O 2.81Å; T18-E21 PolarHBondContact O-N 2.98Å; T18-E21 WeakPolarHBondContact OG1-CG 3.49Å; T18-E21 PolarHBondContact OG1-N 3.31Å; T18-E21 PolarHBondContact OG1-O 3.29Å |
| 19 | D | 77.6 | Confident | 72 | Confident | 178 Ų | 178 | 83.5 Ų | 83.5 | 95% | 0.952 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -12.3 | 178.7 | -60.6 | -26.9 | 0 | 0 | 0 | 114.5 | ||
| 20 | K | 69.8 | Low | 71.4 | Confident | 195 Ų | 195 | 88 Ų | 88 | 85% | 0.848 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -23.1 | -174.3 | -62.9 | -178.3 | -177.9 | 175.3 | 0 | 114.4 | T18 | T18-K20 PolarHBondContact O-N 2.98Å; T18-K20 PolarHBondContact OG1-N 3.5Å |
| 21 | E | 63 | Low | 70.7 | Confident | 81 Ų | 81 | 86.9 Ų | 86.9 | 38% | 0.379 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 154.2 | -170.3 | 59.3 | -175.6 | -177.8 | 0 | 0 | 112.4 | T18 V23 | T18-E21 PolarHBondContact N-O 2.81Å; T18-E21 PolarHBondContact O-N 2.98Å; T18-E21 WeakPolarHBondContact OG1-CG 3.49Å; T18-E21 PolarHBondContact OG1-N 3.31Å; T18-E21 PolarHBondContact OG1-O 3.29Å; E21-V23 HydrophobicContact CG-CG2 4.37Å |
| 22 | V | 66.9 | Low | 69.9 | Low | 66 Ų | 66 | 88.7 Ų | 88.7 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.5 | 169.8 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | E17 V24 | E17-V22 HydrophobicContact CB-CG2 4.47Å; E17-V22 HydrophobicContact CG-CG2 4.03Å; V22-V24 HydrophobicContact CG1-CG2 4.1Å |
| 23 | V | 72.4 | Confident | 68.9 | Low | 28 Ų | 28 | 91.1 Ų | 91.1 | 17% | 0.17 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.7 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | S15 F16 E21 | S15-V23 CarbonylContact C-O 3.53Å; S15-V23 VanDerWaalsContact CA-O 3.29Å; S15-V23 WeakPolarHBondContact CA-O 3.28Å; F16-V23 PolarHBondContact N-O 2.76Å; F16-V23 PolarHBondContact O-N 3.08Å; E21-V23 HydrophobicContact CG-CG2 4.37Å |
| 24 | V | 74 | Confident | 67.5 | Low | 44 Ų | 44 | 95.1 Ų | 95.1 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.5 | 177.7 | -173 | 0 | 0 | 0 | 0 | 108.9 | M12 V22 T26 | M12-V24 HydrophobicContact CG-CG1 3.49Å; M12-V24 VanDerWaalsContact CG-CG1 3.49Å; M12-V24 HydrophobicContact SD-CG1 3.61Å; V22-V24 HydrophobicContact CG1-CG2 4.1Å; V24-T26 HydrophobicContact CG1-CG2 3.91Å |
| 25 | V | 75.3 | Confident | 66.2 | Low | 25 Ų | 25 | 97.2 Ų | 97.2 | 15% | 0.152 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.8 | 175.7 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | L13 D14 F16 T66 L68 | L13-V25 HydrophobicContact CB-CB 4.41Å; L13-V25 HydrophobicContact CB-CG1 4.15Å; L13-V25 WeakPolarHBondContact CB-O 3.33Å; L13-V25 HydrophobicContact CD1-CG1 4.19Å; L13-V25 PolarHBondContact N-O 2.86Å; D14-V25 HydrophobicContact CB-CB 4.4Å; D14-V25 PolarHBondContact N-O 3.06Å; D14-V25 PolarHBondContact O-N 3.43Å; F16-V25 HydrophobicContact CD2-CG2 4.37Å; F16-V25 HydrophobicContact CE2-CG2 4.01Å; V25-T66 HydrophobicContact CG1-CG2 3.63Å; V25-L68 HydrophobicContact CG2-CD2 4.35Å |
| 26 | T | 72.4 | Confident | 65 | Low | 30 Ų | 30 | 98 Ų | 98 | 18% | 0.184 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 167.2 | 177.7 | 67.9 | 0 | 0 | 0 | 0 | 111.7 | V10 H11 V24 | V10-T26 VanDerWaalsContact CG1-CB 3.49Å; V10-T26 HydrophobicContact CG1-CG2 4.05Å; H11-T26 CarbonylContact O-C 3.6Å; H11-T26 WeakPolarHBondContact O-CA 3.29Å; H11-T26 VanDerWaalsContact O-CB 3.28Å; H11-T26 WeakPolarHBondContact O-CB 3.43Å; V24-T26 HydrophobicContact CG1-CG2 3.91Å |
| 27 | D | 70.6 | Confident | 63.3 | Low | 81 Ų | 81 | 96.1 Ų | 96.1 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | trans | -58.9 | 146.9 | 164 | -72.3 | -32.3 | 0 | 0 | 0 | 110.7 | H11 A29 | H11-D27 WeakPolarHBondContact CB-OD2 3.11Å; H11-D27 PolarHBondContact O-N 3.22Å; D27-A29 PolarHBondContact O-N 2.97Å | ||
| 28 | Y | 66.1 | Low | 62 | Low | 129 Ų | 129 | 96.4 Ų | 96.4 | 51% | 0.506 | 50% | 0.497 | S | S | . | . | trans | -69.9 | 124.7 | 174.2 | 178.9 | -99.4 | 0 | 0 | 0 | 110 | E30 H65 A67 | Y28-E30 HydrophobicContact CE1-CB 4.04Å; Y28-H65 WeakPolarHBondContact CB-O 3.24Å; Y28-H65 HydrophobicContact CG-CB 4.47Å; Y28-A67 HydrophobicContact CD2-CB 3.61Å; Y28-A67 HydrophobicContact CE2-CB 4.28Å | ||
| 29 | A | 63.8 | Low | 60.6 | Low | 54 Ų | 54 | 99.8 Ų | 99.8 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | trans | -116.8 | 130.9 | 167 | 0 | 0 | 0 | 0 | 0 | 108.3 | V10 D27 | V10-A29 HydrophobicContact CG2-CB 3.76Å; D27-A29 PolarHBondContact O-N 2.97Å | ||
| 30 | E | 57.1 | Low | 59.2 | Low | 176 Ų | 176 | 97.3 Ų | 97.3 | 82% | 0.822 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -79.5 | 120.1 | 176.1 | -169.8 | 175.5 | -179.1 | 0 | 0 | 109.4 | Y28 | Y28-E30 HydrophobicContact CE1-CB 4.04Š|
| 31 | G | 55.8 | Low | 58.2 | Low | 55 Ų | 55 | 91.1 Ų | 91.1 | 57% | 0.567 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 94.5 | 143.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 32 | E | 55.3 | Low | 57.6 | Low | 99 Ų | 99 | 95 Ų | 95 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | trans | -100.4 | 121.5 | 170 | -64.9 | -166.4 | 154.3 | 0 | 0 | 108.9 | F34 Q35 I36 | E32-F34 PolarHBondContact O-N 2.78Å; E32-F34 VanDerWaalsContact O-N 3.14Å; E32-Q35 HydrophobicContact CB-CB 4.29Å; E32-Q35 PolarHBondContact O-N 3.36Å; E32-Q35 VanDerWaalsContact O-N 3.09Å; E32-I36 PolarHBondContact O-N 3.25Å | ||
| 33 | L | 51.4 | Low | 56.8 | Low | 110 Ų | 110 | 94.3 Ų | 94.3 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.9 | -29.3 | 177 | -168.1 | 70.2 | 0 | 0 | 0 | 111.6 | L37 L43 | L33-L37 HydrophobicContact CD2-CD1 4.42Å; L33-L37 HydrophobicContact CG-CD1 4.02Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 VanDerWaalsContact O-CG 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.04Å; L33-L37 PolarHBondContact O-N 3.31Å; L33-L43 HydrophobicContact CD1-CD1 3.49Å; L33-L43 VanDerWaalsContact CD1-CD1 3.49Å |
| 34 | F | 45.9 | Very low | 55.9 | Low | 169 Ų | 169 | 95.9 Ų | 95.9 | 74% | 0.741 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 176 | -97.3 | -89.8 | 0 | 0 | 0 | 112.8 | E32 I36 L37 E38 | E32-F34 PolarHBondContact O-N 2.78Å; E32-F34 VanDerWaalsContact O-N 3.14Å; F34-I36 VanDerWaalsContact C-N 3.33Å; F34-I36 PolarHBondContact O-N 3.16Å; F34-L37 PolarHBondContact O-N 3.1Å; F34-E38 WeakPolarHBondContact O-CB 2.91Å; F34-E38 PolarHBondContact O-N 3.34Å |
| 35 | Q | 48.9 | Very low | 54.9 | Low | 121 Ų | 121 | 100.8 Ų | 100.8 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.2 | -31.9 | -179.4 | -157.2 | 169.7 | -48.3 | 0 | 0 | 111.8 | E32 D39 | E32-Q35 HydrophobicContact CB-CB 4.29Å; E32-Q35 PolarHBondContact O-N 3.36Å; E32-Q35 VanDerWaalsContact O-N 3.09Å; Q35-D39 PolarHBondContact O-N 3.41Å |
| 36 | I | 49.3 | Very low | 53.9 | Low | 75 Ų | 75 | 104.8 Ų | 104.8 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.5 | -37.6 | 173.6 | -60.7 | 169.8 | 0 | 0 | 0 | 111.3 | E32 F34 D40 L43 | E32-I36 PolarHBondContact O-N 3.25Å; F34-I36 VanDerWaalsContact C-N 3.33Å; F34-I36 PolarHBondContact O-N 3.16Å; I36-D40 PolarHBondContact O-N 3.21Å; I36-L43 HydrophobicContact CG2-CD1 3.92Å; I36-L43 HydrophobicContact CG2-CD2 3.67Å; I36-L43 HydrophobicContact CG2-CG 3.88Å |
| 37 | L | 42.2 | Very low | 53.1 | Low | 72 Ų | 72 | 109.2 Ų | 109.2 | 38% | 0.377 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -79.1 | -27.4 | 178.1 | -71.1 | 170.6 | 0 | 0 | 0 | 113.2 | L33 F34 G41 L43 | L33-L37 HydrophobicContact CD2-CD1 4.42Å; L33-L37 HydrophobicContact CG-CD1 4.02Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 VanDerWaalsContact O-CG 3.27Å; L33-L37 WeakPolarHBondContact O-CG 3.04Å; L33-L37 PolarHBondContact O-N 3.31Å; F34-L37 PolarHBondContact O-N 3.1Å; L37-G41 VanDerWaalsContact O-CA 3.24Å; L37-G41 WeakPolarHBondContact O-CA 3.07Å; L37-G41 PolarHBondContact O-N 3.46Å; L37-L43 HydrophobicContact CD2-CD1 4.22Å; L37-L43 HydrophobicContact CD2-CG 4.4Å |
| 38 | E | 48.1 | Very low | 52.1 | Low | 168 Ų | 168 | 108.6 Ų | 108.6 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.7 | -37.5 | 175 | -122.2 | -178.7 | 173.1 | 0 | 0 | 112.2 | F34 | F34-E38 WeakPolarHBondContact O-CB 2.91Å; F34-E38 PolarHBondContact O-N 3.34Å |
| 39 | D | 47.1 | Very low | 51 | Low | 139 Ų | 139 | 110.9 Ų | 110.9 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -81.1 | -39.3 | -179.6 | -85.6 | -16.5 | 0 | 0 | 0 | 113.6 | Q35 | Q35-D39 PolarHBondContact O-N 3.41Å |
| 40 | D | 48.8 | Very low | 50 | Low | 127 Ų | 127 | 111.6 Ų | 111.6 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -111.9 | -7 | -173.4 | -96.8 | -23.1 | 0 | 0 | 0 | 114.9 | I36 K42 | I36-D40 PolarHBondContact O-N 3.21Å; D40-K42 PolarHBondContact O-N 3.21Å |
| 41 | G | 47.4 | Very low | 49.5 | Very low | 65 Ų | 65 | 106.6 Ų | 106.6 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 63.8 | -12.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L37 | L37-G41 VanDerWaalsContact O-CA 3.24Å; L37-G41 WeakPolarHBondContact O-CA 3.07Å; L37-G41 PolarHBondContact O-N 3.46Å |
| 42 | K | 50.6 | Low | 49.1 | Very low | 161 Ų | 161 | 110.5 Ų | 110.5 | 70% | 0.7 | 56% | 0.557 | S | S | * | * | trans | -162 | 132.7 | 178.8 | 54.3 | -174.9 | 178.1 | -178.3 | 0 | 110.3 | D40 | D40-K42 PolarHBondContact O-N 3.21Š| ||
| 43 | L | 50.4 | Low | 48.6 | Very low | 53 Ų | 53 | 113.5 Ų | 113.5 | 28% | 0.277 | 57% | 0.571 | S | S | . | * | trans | -89.1 | 118.2 | 164.4 | -83.4 | 159 | 0 | 0 | 0 | 108.4 | L33 I36 L37 | L33-L43 HydrophobicContact CD1-CD1 3.49Å; L33-L43 VanDerWaalsContact CD1-CD1 3.49Å; I36-L43 HydrophobicContact CG2-CD1 3.92Å; I36-L43 HydrophobicContact CG2-CD2 3.67Å; I36-L43 HydrophobicContact CG2-CG 3.88Å; L37-L43 HydrophobicContact CD2-CD1 4.22Å; L37-L43 HydrophobicContact CD2-CG 4.4Å | ||
| 44 | P | 54.3 | Low | 48.2 | Very low | 60 Ų | 60 | 116.2 Ų | 116.2 | 39% | 0.39 | 58% | 0.58 | S | S | . | * | trans | -66.5 | 141.6 | 177.1 | 28.7 | -32.9 | 0 | 0 | 0 | 110.2 | D46 Q47 | P44-D46 VanDerWaalsContact C-OD1 3.3Å; P44-D46 WeakPolarHBondContact CB-OD1 3.27Å; P44-D46 WeakPolarHBondContact CG-OD1 3.43Å; P44-D46 PolarHBondContact O-N 3.23Å; P44-Q47 HydrophobicContact CG-CG 4.22Å; P44-Q47 PolarHBondContact O-N 2.73Å | ||
| 45 | E | 53.2 | Low | 48.4 | Very low | 147 Ų | 147 | 113.2 Ų | 113.2 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.7 | -20.6 | -168.6 | -154.9 | -177.9 | -176.2 | 0 | 0 | 113.3 | Q47 I48 | E45-Q47 VanDerWaalsContact C-N 3.34Å; E45-I48 PolarHBondContact O-N 3.43Å |
| 46 | D | 54.1 | Low | 48 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.3 | -22.4 | 175.9 | 64.9 | -20.9 | 0 | 0 | 0 | 113.7 | P44 P50 | P44-D46 VanDerWaalsContact C-OD1 3.3Å; P44-D46 WeakPolarHBondContact CB-OD1 3.27Å; P44-D46 WeakPolarHBondContact CG-OD1 3.43Å; P44-D46 PolarHBondContact O-N 3.23Å; D46-P50 WeakPolarHBondContact O-CD 3.16Å; D46-P50 WeakPolarHBondContact O-CG 3.33Å |
| 47 | Q | 53.8 | Low | 47.6 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -88.1 | -16.1 | 173.8 | -66.6 | -164.2 | 35.6 | 0 | 0 | 113.4 | P44 E45 S51 | P44-Q47 HydrophobicContact CG-CG 4.22Å; P44-Q47 PolarHBondContact O-N 2.73Å; E45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-S51 PolarHBondContact O-OG 3.34Å |
| 48 | I | 50.8 | Low | 47.7 | Very low | 68 Ų | 68 | 121.7 Ų | 121.7 | 35% | 0.349 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -84.4 | -24.4 | 178.3 | -40.5 | -179.4 | 0 | 0 | 0 | 110.4 | E45 S51 Y52 | E45-I48 PolarHBondContact O-N 3.43Å; I48-S51 PolarHBondContact O-OG 3.33Å; I48-Y52 HydrophobicContact CG2-CE2 3.71Å; I48-Y52 WeakPolarHBondContact O-CD2 3.48Å; I48-Y52 WeakPolarHBondContact O-CE2 3.45Å |
| 49 | R | 43.5 | Very low | 47.2 | Very low | 178 Ų | 178 | 117.6 Ų | 117.6 | 67% | 0.672 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.3 | -44.3 | -179.8 | -77.2 | 177.6 | 172 | -136.7 | -0 | 115.4 | S51 Y52 | R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 3.39Å; R49-Y52 PolarHBondContact O-N 3.29Å |
| 50 | P | 42 | Very low | 47.3 | Very low | 69 Ų | 69 | 119 Ų | 119 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.3 | -28.1 | -176.4 | -17.3 | 29.4 | 0 | 0 | 0 | 112.9 | D46 Y52 E53 H54 | D46-P50 WeakPolarHBondContact O-CD 3.16Å; D46-P50 WeakPolarHBondContact O-CG 3.33Å; P50-Y52 VanDerWaalsContact C-N 3.28Å; P50-Y52 PolarHBondContact O-N 2.96Å; P50-E53 PolarHBondContact O-N 3.14Å; P50-H54 PolarHBondContact O-N 3.09Å |
| 51 | S | 47.1 | Very low | 47 | Very low | 70 Ų | 70 | 117.6 Ų | 117.6 | 49% | 0.49 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.2 | -22.4 | 177.8 | 31.2 | 0 | 0 | 0 | 0 | 113.1 | Q47 I48 R49 | Q47-S51 PolarHBondContact O-OG 3.34Å; I48-S51 PolarHBondContact O-OG 3.33Å; R49-S51 VanDerWaalsContact C-N 3.27Å; R49-S51 PolarHBondContact O-N 3.39Å |
| 52 | Y | 46.3 | Very low | 46.9 | Very low | 138 Ų | 138 | 121.1 Ų | 121.1 | 54% | 0.541 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -80.2 | -25.1 | 171.1 | -64.6 | -66.4 | 0 | 0 | 0 | 113.4 | N8 I48 R49 P50 | N8-Y52 WeakPolarHBondContact ND2-CE1 3.18Å; I48-Y52 HydrophobicContact CG2-CE2 3.71Å; I48-Y52 WeakPolarHBondContact O-CD2 3.48Å; I48-Y52 WeakPolarHBondContact O-CE2 3.45Å; R49-Y52 PolarHBondContact O-N 3.29Å; P50-Y52 VanDerWaalsContact C-N 3.28Å; P50-Y52 PolarHBondContact O-N 2.96Å |
| 53 | E | 44.4 | Very low | 46.4 | Very low | 162 Ų | 162 | 119.7 Ų | 119.7 | 76% | 0.757 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -97.2 | -13.4 | -169.3 | -153.7 | 158.1 | -157.2 | 0 | 0 | 113.4 | P50 | P50-E53 PolarHBondContact O-N 3.14Å |
| 54 | H | 44.8 | Very low | 45.8 | Very low | 166 Ų | 166 | 128 Ų | 128 | 77% | 0.769 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -86 | -2 | 178.7 | -103.6 | 67.6 | 0 | 0 | 0 | 115.8 | P50 H56 | P50-H54 PolarHBondContact O-N 3.09Å; H54-H56 VanDerWaalsContact C-N 3.27Å; H54-H56 PolarHBondContact O-N 3.01Å |
| 55 | Q | 48.4 | Very low | 45.1 | Very low | 106 Ų | 106 | 131 Ų | 131 | 50% | 0.495 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -79.6 | 5.6 | -176.4 | -77.7 | -176.6 | -5.4 | 0 | 0 | 115.3 | N8 | N8-Q55 PolarHBondContact OD1-NE2 3.05Š|
| 56 | H | 42.5 | Very low | 44.3 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 82% | 0.815 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -114.3 | 8.8 | -174.1 | -79.8 | -58 | 0 | 0 | 0 | 117.6 | H54 | H54-H56 VanDerWaalsContact C-N 3.27Å; H54-H56 PolarHBondContact O-N 3.01Å |
| 57 | H | 39.3 | Very low | 43.9 | Very low | 187 Ų | 187 | 124.2 Ų | 124.2 | 87% | 0.866 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -121.8 | 117.5 | 171.2 | -107.5 | -21.8 | 0 | 0 | 0 | 113.8 | ||
| 58 | G | 45.4 | Very low | 43.5 | Very low | 83 Ų | 83 | 124 Ų | 124 | 86% | 0.856 | 64% | 0.639 | S | S | * | * | trans | -52.8 | 139.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 59 | A | 37.8 | Very low | 43.2 | Very low | 83 Ų | 83 | 127.4 Ų | 127.4 | 69% | 0.686 | 65% | 0.648 | S | S | * | * | trans | -137.8 | 114.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | V61 | A59-V61 HydrophobicContact CB-CG2 3.9Å; A59-V61 PolarHBondContact O-N 3.48Å | ||
| 60 | D | 47.8 | Very low | 43.1 | Very low | 169 Ų | 169 | 122.6 Ų | 122.6 | 90% | 0.904 | 64% | 0.638 | S | S | * | * | trans | -54.5 | 107.2 | 157.8 | -174.7 | 39.1 | 0 | 0 | 0 | 108.3 | ||||
| 61 | V | 43.3 | Very low | 42.9 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 58% | 0.582 | 64% | 0.639 | S | S | * | * | trans | -143.5 | 85.3 | 175.4 | -167.6 | 0 | 0 | 0 | 0 | 109.8 | A59 Q63 | A59-V61 HydrophobicContact CB-CG2 3.9Å; A59-V61 PolarHBondContact O-N 3.48Å; V61-Q63 HydrophobicContact CG1-CB 3.92Å; V61-Q63 HydrophobicContact CG1-CG 3.82Å; V61-Q63 PolarHBondContact O-N 3.07Å | ||
| 62 | D | 45.9 | Very low | 42.5 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | trans | -69.3 | 79 | 158 | -175.8 | 43.9 | 0 | 0 | 0 | 109.5 | ||||
| 63 | Q | 39.1 | Very low | 42.2 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 61% | 0.612 | 67% | 0.667 | S | S | * | * | trans | -135.5 | 86 | 164.4 | -66.1 | -175.7 | 18.9 | 0 | 0 | 107.8 | V61 H65 | V61-Q63 HydrophobicContact CG1-CB 3.92Å; V61-Q63 HydrophobicContact CG1-CG 3.82Å; V61-Q63 PolarHBondContact O-N 3.07Å; Q63-H65 PolarHBondContact O-N 3.28Å; Q63-H65 PolarHBondContact OE1-CE1 2.89Å | ||
| 64 | R | 37.9 | Very low | 41.9 | Very low | 226 Ų | 226 | 122.7 Ų | 122.7 | 85% | 0.853 | 66% | 0.66 | S | S | * | * | trans | -68.9 | 71.3 | 171 | -63 | -176.3 | -174.6 | 171.3 | 1.2 | 109.9 | T66 | R64-T66 PolarHBondContact O-N 3.28Š| ||
| 65 | H | 40.6 | Very low | 41.9 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 57% | 0.569 | 66% | 0.662 | S | S | * | * | trans | -76.5 | 108.1 | 162 | -73.1 | 124.5 | 0 | 0 | 0 | 106.9 | Y28 Q63 | Y28-H65 WeakPolarHBondContact CB-O 3.24Å; Y28-H65 HydrophobicContact CG-CB 4.47Å; Q63-H65 PolarHBondContact O-N 3.28Å; Q63-H65 PolarHBondContact OE1-CE1 2.89Å | ||
| 66 | T | 35.4 | Very low | 41.6 | Very low | 78 Ų | 78 | 117.5 Ų | 117.5 | 48% | 0.479 | 68% | 0.68 | S | S | . | * | trans | -97.9 | 115.7 | 170.1 | -58 | 0 | 0 | 0 | 0 | 107.1 | V25 R64 | V25-T66 HydrophobicContact CG1-CG2 3.63Å; R64-T66 PolarHBondContact O-N 3.28Å | ||
| 67 | A | 46.3 | Very low | 41.2 | Very low | 38 Ų | 38 | 114.2 Ų | 114.2 | 31% | 0.314 | 68% | 0.683 | S | S | . | * | trans | -83.9 | 136.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y28 | Y28-A67 HydrophobicContact CD2-CB 3.61Å; Y28-A67 HydrophobicContact CE2-CB 4.28Å | ||
| 68 | L | 43.9 | Very low | 40.7 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 61% | 0.613 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.6 | 105.3 | 172.1 | -68.3 | 167 | 0 | 0 | 0 | 107.6 | V25 | V25-L68 HydrophobicContact CG2-CD2 4.35Å |
| 69 | Y | 44.8 | Very low | 40.8 | Very low | 139 Ų | 139 | 119 Ų | 119 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 111.7 | 168.5 | -170 | -92.7 | 0 | 0 | 0 | 108.8 | ||
| 70 | V | 41.2 | Very low | 41 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 47% | 0.467 | 70% | 0.698 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.8 | 99.9 | 174 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | R72 | V70-R72 PolarHBondContact O-N 2.79Å |
| 71 | S | 39 | Very low | 40.6 | Very low | 65 Ų | 65 | 118.2 Ų | 118.2 | 46% | 0.455 | 69% | 0.687 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 104.6 | 169.8 | -169.6 | 0 | 0 | 0 | 0 | 108.8 | A73 | S71-A73 PolarHBondContact O-N 3.28Å; S71-A73 VanDerWaalsContact O-N 3.1Å |
| 72 | R | 37.4 | Very low | 40.4 | Very low | 224 Ų | 224 | 119.4 Ų | 119.4 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | trans | -71.6 | 102 | 167.8 | -175.6 | 176.1 | 175.5 | 151.5 | -2.2 | 107.4 | V70 G74 | V70-R72 PolarHBondContact O-N 2.79Å; R72-G74 PolarHBondContact O-N 3.02Å | ||
| 73 | A | 40.7 | Very low | 40.1 | Very low | 94 Ų | 94 | 118.2 Ų | 118.2 | 78% | 0.777 | 69% | 0.69 | S | S | * | * | trans | -68.6 | 69.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | S71 | S71-A73 PolarHBondContact O-N 3.28Å; S71-A73 VanDerWaalsContact O-N 3.1Å | ||
| 74 | G | 38.4 | Very low | 40.2 | Very low | 59 Ų | 59 | 117.4 Ų | 117.4 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | trans | -96 | 87.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | R72 | R72-G74 PolarHBondContact O-N 3.02Š| ||
| 75 | G | 45.2 | Very low | 40.3 | Very low | 79 Ų | 79 | 110.2 Ų | 110.2 | 81% | 0.814 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 57.6 | 99.9 | 153 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 76 | G | 42.7 | Very low | 40.3 | Very low | 84 Ų | 84 | 109.3 Ų | 109.3 | 87% | 0.866 | 69% | 0.692 | S | S | * | * | trans | 89.7 | 91.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 77 | A | 33.1 | Very low | 40.7 | Very low | 106 Ų | 106 | 111.7 Ų | 111.7 | 88% | 0.876 | 71% | 0.709 | S | S | * | * | trans | -136.6 | 103.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 78 | T | 29.5 | Very low | 40.2 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | -87.7 | 119.2 | 168.9 | -63.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 79 | I | 47 | Very low | 39.9 | Very low | 237 Ų | 237 | 117.9 Ų | 117.9 | 100% | 1.215 | 75% | 0.753 | S | S | * | * | trans | 12.3 | 0 | 169.5 | 39.7 | 171.8 | 0 | 0 | 0 | 119.3 |
Retrieved 79 of 79 residues in 32.4 ms
(Link to these results)