| 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 | 62 | Low | 245 Ų | 245 | 100.2 Ų | 100.2 | 100% | 1.207 | 49% | 0.494 | S | S | * | . | 0 | 128.9 | 0 | -66.6 | 172.1 | 174.4 | 0 | 0 | 106.5 | K3 | M1-K3 PolarHBondContact O-N 3.23Š| |||
| 2 | A | 55.9 | Low | 62.2 | Low | 95 Ų | 95 | 107.2 Ų | 107.2 | 79% | 0.785 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 119.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q4 | A2-Q4 PolarHBondContact O-N 3.12Š|
| 3 | K | 54.7 | Low | 62.5 | Low | 147 Ų | 147 | 100.8 Ų | 100.8 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 116.5 | 174.6 | -167.2 | 176.3 | -176.4 | -178.1 | 0 | 107.4 | M1 D56 | M1-K3 PolarHBondContact O-N 3.23Å; K3-D56 WeakPolarHBondContact CE-OD2 3.25Å; K3-D56 IonicContact NZ-OD2 3.83Å |
| 4 | Q | 56.5 | Low | 62.2 | Low | 61 Ų | 61 | 95.4 Ų | 95.4 | 29% | 0.285 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -100 | 118.8 | 173.6 | -72.5 | -170.8 | 0.4 | 0 | 0 | 108.4 | A2 P18 E19 | A2-Q4 PolarHBondContact O-N 3.12Å; Q4-P18 HydrophobicContact CB-CG 4.28Å; Q4-P18 HydrophobicContact CG-CG 4.15Å; Q4-E19 PolarHBondContact NE2-OE2 2.6Å |
| 5 | E | 56.2 | Low | 62.4 | Low | 119 Ų | 119 | 91.3 Ų | 91.3 | 56% | 0.556 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -89.8 | 125.5 | 175.4 | -66 | 179.9 | 96.4 | 0 | 0 | 109.4 | P18 | E5-P18 WeakPolarHBondContact O-CD 3.26Š|
| 6 | V | 67.4 | Low | 62.4 | Low | 17 Ų | 17 | 91.3 Ų | 91.3 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.7 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | V15 Y16 | V6-V15 HydrophobicContact CG1-CG1 3.34Å; V6-Y16 CarbonylContact C-O 3.57Å; V6-Y16 VanDerWaalsContact CA-O 3.26Å; V6-Y16 WeakPolarHBondContact CA-O 3.42Å; V6-Y16 WeakPolarHBondContact CG1-O 3.14Å |
| 7 | V | 68 | Low | 62.6 | Low | 43 Ų | 43 | 87.1 Ų | 87.1 | 26% | 0.261 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.1 | 177.1 | -179 | 0 | 0 | 0 | 0 | 108.9 | V15 Y16 L54 | V7-V15 CarbonylContact O-C 3.5Å; V7-V15 WeakPolarHBondContact O-CA 3.44Å; V7-Y16 HydrophobicContact CB-CD2 4.18Å; V7-Y16 HydrophobicContact CG1-CD2 4.23Å; V7-Y16 PolarHBondContact N-O 2.94Å; V7-Y16 WeakPolarHBondContact O-CD2 3.36Å; V7-Y16 PolarHBondContact O-N 2.99Å; V7-L54 HydrophobicContact CG2-CD2 4.15Å |
| 8 | V | 72.6 | Confident | 62.3 | Low | 20 Ų | 20 | 87.4 Ų | 87.4 | 12% | 0.121 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | F10 V15 I55 | V8-F10 HydrophobicContact CB-CE2 4.07Å; V8-F10 HydrophobicContact CB-CZ 4.2Å; V8-F10 HydrophobicContact CG1-CD1 4.14Å; V8-F10 HydrophobicContact CG1-CD2 4.1Å; V8-F10 HydrophobicContact CG1-CE1 3.79Å; V8-F10 HydrophobicContact CG1-CE2 3.75Å; V8-F10 HydrophobicContact CG1-CG 4.29Å; V8-F10 HydrophobicContact CG1-CZ 3.58Å; V8-V15 HydrophobicContact CG1-CG2 4.23Å; V8-V15 HydrophobicContact CG2-CG1 4.27Å; V8-V15 HydrophobicContact CG2-CG2 4.25Å; V8-I55 HydrophobicContact CG2-CD1 4.19Å |
| 9 | D | 70.1 | Confident | 62 | Low | 31 Ų | 31 | 90.3 Ų | 90.3 | 17% | 0.166 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 95.8 | 172 | -177.2 | -18.8 | 0 | 0 | 0 | 109.7 | R11 R12 G13 L14 Y16 | D9-R11 VanDerWaalsContact C-N 3.26Å; D9-R11 PolarHBondContact O-N 3.25Å; D9-R11 WeakPolarHBondContact OD1-CA 3.35Å; D9-R11 WeakPolarHBondContact OD1-CB 3.06Å; D9-R11 PolarHBondContact OD1-N 2.82Å; D9-R12 PolarHBondContact O-N 3.15Å; D9-R12 PolarHBondContact OD1-N 2.76Å; D9-R12 VanDerWaalsContact OD2-CD 3.3Å; D9-R12 WeakPolarHBondContact OD2-CD 3.41Å; D9-R12 WeakPolarHBondContact OD2-CG 3.3Å; D9-R12 IonicContact OD2-NE 3.98Å; D9-G13 WeakPolarHBondContact O-CA 3.36Å; D9-G13 PolarHBondContact O-N 3.01Å; D9-L14 HydrophobicContact CB-CB 4.44Å; D9-L14 PolarHBondContact N-O 2.82Å; D9-L14 PolarHBondContact O-N 2.95Å; D9-Y16 HydrophobicContact CB-CE2 3.89Å |
| 10 | F | 66.3 | Low | 61.5 | Low | 146 Ų | 146 | 90.3 Ų | 90.3 | 64% | 0.64 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.7 | 178.7 | -65.5 | -81.3 | 0 | 0 | 0 | 113.6 | V8 R12 | V8-F10 HydrophobicContact CB-CE2 4.07Å; V8-F10 HydrophobicContact CB-CZ 4.2Å; V8-F10 HydrophobicContact CG1-CD1 4.14Å; V8-F10 HydrophobicContact CG1-CD2 4.1Å; V8-F10 HydrophobicContact CG1-CE1 3.79Å; V8-F10 HydrophobicContact CG1-CE2 3.75Å; V8-F10 HydrophobicContact CG1-CG 4.29Å; V8-F10 HydrophobicContact CG1-CZ 3.58Å; F10-R12 VanDerWaalsContact C-N 3.35Å |
| 11 | R | 68.7 | Low | 60.8 | Low | 178 Ų | 178 | 89.7 Ų | 89.7 | 67% | 0.672 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -36.3 | 179.8 | -69.7 | -177.4 | -79 | -171.2 | -8.2 | 110.9 | D9 N51 | D9-R11 VanDerWaalsContact C-N 3.26Å; D9-R11 PolarHBondContact O-N 3.25Å; D9-R11 WeakPolarHBondContact OD1-CA 3.35Å; D9-R11 WeakPolarHBondContact OD1-CB 3.06Å; D9-R11 PolarHBondContact OD1-N 2.82Å; R11-N51 PolarHBondContact NH1-ND2 3.28Å |
| 12 | R | 64.6 | Low | 60.8 | Low | 184 Ų | 184 | 86 Ų | 86 | 69% | 0.694 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -9.9 | 178.6 | -60.2 | -175.8 | 173.5 | 175.8 | -2.2 | 112.9 | D9 F10 L14 | D9-R12 PolarHBondContact O-N 3.15Å; D9-R12 PolarHBondContact OD1-N 2.76Å; D9-R12 VanDerWaalsContact OD2-CD 3.3Å; D9-R12 WeakPolarHBondContact OD2-CD 3.41Å; D9-R12 WeakPolarHBondContact OD2-CG 3.3Å; D9-R12 IonicContact OD2-NE 3.98Å; F10-R12 VanDerWaalsContact C-N 3.35Å; R12-L14 HydrophobicContact CB-CB 4.4Å; R12-L14 HydrophobicContact CB-CD1 3.59Å; R12-L14 HydrophobicContact CB-CG 3.67Å |
| 13 | G | 65.4 | Low | 60.2 | Low | 25 Ų | 25 | 84.6 Ų | 84.6 | 26% | 0.258 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 39.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D9 | D9-G13 WeakPolarHBondContact O-CA 3.36Å; D9-G13 PolarHBondContact O-N 3.01Å |
| 14 | L | 58.9 | Low | 59.9 | Low | 25 Ų | 25 | 85.6 Ų | 85.6 | 13% | 0.131 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.4 | -173 | -58.3 | 178.6 | 0 | 0 | 0 | 111.2 | D9 R12 Y16 L23 M26 | D9-L14 HydrophobicContact CB-CB 4.44Å; D9-L14 PolarHBondContact N-O 2.82Å; D9-L14 PolarHBondContact O-N 2.95Å; R12-L14 HydrophobicContact CB-CB 4.4Å; R12-L14 HydrophobicContact CB-CD1 3.59Å; R12-L14 HydrophobicContact CB-CG 3.67Å; L14-Y16 HydrophobicContact CB-CE1 4.44Å; L14-Y16 HydrophobicContact CB-CE2 3.96Å; L14-Y16 WeakPolarHBondContact CD1-OH 3.46Å; L14-L23 HydrophobicContact CB-CD1 3.87Å; L14-L23 HydrophobicContact CD1-CD1 3.92Å; L14-L23 HydrophobicContact CD2-CD1 3.6Å; L14-L23 HydrophobicContact CD2-CD2 3.79Å; L14-L23 HydrophobicContact CD2-CG 3.89Å; L14-L23 HydrophobicContact CG-CD1 3.93Å; L14-M26 HydrophobicContact CD2-CG 4.12Å |
| 15 | V | 65.9 | Low | 59.6 | Low | 34 Ų | 34 | 90.3 Ų | 90.3 | 21% | 0.206 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.1 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | V6 V7 V8 | V6-V15 HydrophobicContact CG1-CG1 3.34Å; V7-V15 CarbonylContact O-C 3.5Å; V7-V15 WeakPolarHBondContact O-CA 3.44Å; V8-V15 HydrophobicContact CG1-CG2 4.23Å; V8-V15 HydrophobicContact CG2-CG1 4.27Å; V8-V15 HydrophobicContact CG2-CG2 4.25Å |
| 16 | Y | 61.9 | Low | 59.1 | Low | 90 Ų | 90 | 90.6 Ų | 90.6 | 35% | 0.353 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.6 | -178.9 | -47.5 | -86.8 | 0 | 0 | 0 | 109.8 | V6 V7 D9 L14 L23 | V6-Y16 CarbonylContact C-O 3.57Å; V6-Y16 VanDerWaalsContact CA-O 3.26Å; V6-Y16 WeakPolarHBondContact CA-O 3.42Å; V6-Y16 WeakPolarHBondContact CG1-O 3.14Å; V7-Y16 HydrophobicContact CB-CD2 4.18Å; V7-Y16 HydrophobicContact CG1-CD2 4.23Å; V7-Y16 PolarHBondContact N-O 2.94Å; V7-Y16 WeakPolarHBondContact O-CD2 3.36Å; V7-Y16 PolarHBondContact O-N 2.99Å; D9-Y16 HydrophobicContact CB-CE2 3.89Å; L14-Y16 HydrophobicContact CB-CE1 4.44Å; L14-Y16 HydrophobicContact CB-CE2 3.96Å; L14-Y16 WeakPolarHBondContact CD1-OH 3.46Å; Y16-L23 HydrophobicContact CD1-CD1 4.42Å; Y16-L23 HydrophobicContact CE1-CD1 3.92Å |
| 17 | G | 65.5 | Low | 58.1 | Low | 20 Ų | 20 | 93 Ų | 93 | 21% | 0.206 | 46% | 0.458 | C | S | . | . | trans | -164.7 | 162.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E19 F20 | G17-E19 VanDerWaalsContact C-N 3.31Å; G17-E19 PolarHBondContact O-N 3.35Å; G17-F20 PolarHBondContact O-N 3.32Å | ||
| 18 | P | 58.3 | Low | 56.9 | Low | 93 Ų | 93 | 100.4 Ų | 100.4 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -30.4 | -172.2 | 23.2 | -33 | 0 | 0 | 0 | 113.9 | Q4 E5 | Q4-P18 HydrophobicContact CB-CG 4.28Å; Q4-P18 HydrophobicContact CG-CG 4.15Å; E5-P18 WeakPolarHBondContact O-CD 3.26Å |
| 19 | E | 55.2 | Low | 55.4 | Low | 143 Ų | 143 | 102.2 Ų | 102.2 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -12.9 | 173.7 | -69.5 | -155.7 | 80.9 | 0 | 0 | 113.7 | Q4 G17 G21 | Q4-E19 PolarHBondContact NE2-OE2 2.6Å; G17-E19 VanDerWaalsContact C-N 3.31Å; G17-E19 PolarHBondContact O-N 3.35Å; E19-G21 PolarHBondContact O-N 2.8Å |
| 20 | F | 53.2 | Low | 54.2 | Low | 89 Ų | 89 | 104.7 Ų | 104.7 | 39% | 0.39 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -23.9 | -173.5 | -83.5 | -75.7 | 0 | 0 | 0 | 113.5 | G17 E22 K24 | G17-F20 PolarHBondContact O-N 3.32Å; F20-E22 CarbonylContact O-C 3.36Å; F20-E22 PolarHBondContact O-N 3.39Å; F20-E22 VanDerWaalsContact O-O 3.12Å; F20-K24 HydrophobicContact CD1-CB 4Å; F20-K24 HydrophobicContact CE1-CB 4.17Å |
| 21 | G | 46.6 | Very low | 53 | Low | 78 Ų | 78 | 106 Ų | 106 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | S | Bend | trans | 60.7 | -50.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E19 | E19-G21 PolarHBondContact O-N 2.8Š|
| 22 | E | 44.7 | Very low | 51.6 | Low | 168 Ų | 168 | 100.9 Ų | 100.9 | 79% | 0.785 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -150.9 | 115.5 | 168.5 | -109 | 171.4 | 74.9 | 0 | 0 | 108.3 | F20 K24 | F20-E22 CarbonylContact O-C 3.36Å; F20-E22 PolarHBondContact O-N 3.39Å; F20-E22 VanDerWaalsContact O-O 3.12Å; E22-K24 PolarHBondContact O-N 3.37Å |
| 23 | L | 44 | Very low | 50.3 | Low | 65 Ų | 65 | 97.7 Ų | 97.7 | 34% | 0.34 | 54% | 0.537 | S | S | . | . | trans | 25.4 | 88.7 | 143.1 | -150.8 | 86.5 | 0 | 0 | 0 | 117.3 | L14 Y16 M26 | L14-L23 HydrophobicContact CB-CD1 3.87Å; L14-L23 HydrophobicContact CD1-CD1 3.92Å; L14-L23 HydrophobicContact CD2-CD1 3.6Å; L14-L23 HydrophobicContact CD2-CD2 3.79Å; L14-L23 HydrophobicContact CD2-CG 3.89Å; L14-L23 HydrophobicContact CG-CD1 3.93Å; Y16-L23 HydrophobicContact CD1-CD1 4.42Å; Y16-L23 HydrophobicContact CE1-CD1 3.92Å; L23-M26 HydrophobicContact CD2-CE 3.62Å | ||
| 24 | K | 48.2 | Very low | 49.2 | Very low | 169 Ų | 169 | 103.4 Ų | 103.4 | 74% | 0.735 | 56% | 0.561 | S | S | * | * | trans | -105.3 | 6.5 | 177.6 | -88.9 | -170.3 | 176 | 176.2 | 0 | 116.9 | F20 E22 | F20-K24 HydrophobicContact CD1-CB 4Å; F20-K24 HydrophobicContact CE1-CB 4.17Å; E22-K24 PolarHBondContact O-N 3.37Å | ||
| 25 | W | 49.6 | Very low | 48.3 | Very low | 160 Ų | 160 | 107.2 Ų | 107.2 | 61% | 0.606 | 59% | 0.588 | S | S | * | * | trans | -136.4 | 116.5 | 173.6 | -131.6 | 59.3 | 0 | 0 | 0 | 111.3 | N27 | W25-N27 HydrophobicContact CZ3-CB 4.38Š| ||
| 26 | M | 46.4 | Very low | 46.6 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 62% | 0.616 | 61% | 0.61 | S | S | * | * | trans | -115.6 | 119.8 | 159.6 | -70.2 | -179.5 | -150.4 | 0 | 0 | 105.7 | L14 L23 K28 | L14-M26 HydrophobicContact CD2-CG 4.12Å; L23-M26 HydrophobicContact CD2-CE 3.62Å; M26-K28 VanDerWaalsContact C-N 3.25Å; M26-K28 PolarHBondContact O-N 3.31Å | ||
| 27 | N | 46.4 | Very low | 45.3 | Very low | 66 Ų | 66 | 111.6 Ų | 111.6 | 35% | 0.353 | 63% | 0.632 | S | S | . | * | trans | -71 | 84.2 | 174.8 | -163 | -57.4 | 0 | 0 | 0 | 109.7 | W25 G29 L30 | W25-N27 HydrophobicContact CZ3-CB 4.38Å; N27-G29 VanDerWaalsContact C-N 3.34Å; N27-G29 PolarHBondContact O-N 3.24Å; N27-G29 VanDerWaalsContact O-N 3.15Å; N27-L30 HydrophobicContact CB-CD1 4.49Å; N27-L30 VanDerWaalsContact ND2-CD1 3.25Å; N27-L30 WeakPolarHBondContact ND2-CD1 2.97Å; N27-L30 PolarHBondContact OD1-N 3.16Å | ||
| 28 | K | 41.6 | Very low | 43.7 | Very low | 200 Ų | 200 | 119 Ų | 119 | 87% | 0.87 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 85.1 | 165.9 | -75.2 | -163.8 | 179.7 | -174.5 | 0 | 108.2 | M26 | M26-K28 VanDerWaalsContact C-N 3.25Å; M26-K28 PolarHBondContact O-N 3.31Å |
| 29 | G | 42 | Very low | 42.3 | Very low | 58 Ų | 58 | 120 Ų | 120 | 60% | 0.598 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.6 | 3.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | N27 N31 | N27-G29 VanDerWaalsContact C-N 3.34Å; N27-G29 PolarHBondContact O-N 3.24Å; N27-G29 VanDerWaalsContact O-N 3.15Å; G29-N31 PolarHBondContact O-N 2.96Å |
| 30 | L | 44.4 | Very low | 41.4 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 43% | 0.429 | 67% | 0.667 | S | S | . | * | trans | -74.2 | 67.3 | 179.3 | -97.4 | 162.2 | 0 | 0 | 0 | 113.5 | N27 A32 L34 | N27-L30 HydrophobicContact CB-CD1 4.49Å; N27-L30 VanDerWaalsContact ND2-CD1 3.25Å; N27-L30 WeakPolarHBondContact ND2-CD1 2.97Å; N27-L30 PolarHBondContact OD1-N 3.16Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 WeakPolarHBondContact CD2-O 3.31Å; L30-L34 HydrophobicContact CD1-CD2 4.43Å | ||
| 31 | N | 42 | Very low | 40.3 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 94% | 0.936 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -94.2 | 16.4 | 148.3 | -88.6 | -40.5 | 0 | 0 | 0 | 111.1 | G29 | G29-N31 PolarHBondContact O-N 2.96Š|
| 32 | A | 38.5 | Very low | 39.8 | Very low | 70 Ų | 70 | 122.8 Ų | 122.8 | 58% | 0.579 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -135.6 | 95.6 | -176 | 0 | 0 | 0 | 0 | 0 | 109.6 | L30 | L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 WeakPolarHBondContact CD2-O 3.31Å |
| 33 | S | 38.1 | Very low | 39.2 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | 32.7 | 102.4 | 160.9 | -153.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 34 | L | 42.8 | Very low | 38.7 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -38.4 | 118.3 | 170.4 | -72.4 | 165.2 | 0 | 0 | 0 | 109.6 | L30 A36 | L30-L34 HydrophobicContact CD1-CD2 4.43Å; L34-A36 PolarHBondContact O-N 2.99Å | ||
| 35 | P | 38.8 | Very low | 37.9 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 69% | 0.688 | 71% | 0.706 | S | S | * | * | trans | -63.7 | 133.5 | 178.2 | 25.1 | -29.8 | 0 | 0 | 0 | 107.2 | V37 | P35-V37 PolarHBondContact O-N 3.48Š| ||
| 36 | A | 30.1 | Very low | 37.2 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | trans | -41.7 | 127.1 | -179 | 0 | 0 | 0 | 0 | 0 | 110.6 | L34 H38 | L34-A36 PolarHBondContact O-N 2.99Å; A36-H38 PolarHBondContact O-N 2.81Å | ||
| 37 | V | 35.8 | Very low | 36.8 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 81% | 0.812 | 72% | 0.721 | S | S | * | * | trans | -52 | 107.2 | 172.9 | 171.1 | 0 | 0 | 0 | 0 | 107.9 | P35 T39 | P35-V37 PolarHBondContact O-N 3.48Å; V37-T39 PolarHBondContact O-N 2.81Å | ||
| 38 | H | 32 | Very low | 36.8 | Very low | 174 Ų | 174 | 122 Ų | 122 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | -81.6 | 107.2 | 167.5 | -88.1 | -62.3 | 0 | 0 | 0 | 107.9 | A36 V40 | A36-H38 PolarHBondContact O-N 2.81Å; H38-V40 PolarHBondContact O-N 2.93Å | ||
| 39 | T | 27.6 | Very low | 36.9 | Very low | 114 Ų | 114 | 116.3 Ų | 116.3 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | -62.5 | 116.8 | 171.2 | -40.8 | 0 | 0 | 0 | 0 | 109.4 | V37 | V37-T39 PolarHBondContact O-N 2.81Š| ||
| 40 | V | 35.9 | Very low | 37.4 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 71% | 0.709 | 72% | 0.722 | S | S | * | * | trans | -110.2 | 117.4 | 166.1 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | H38 G42 | H38-V40 PolarHBondContact O-N 2.93Å; V40-G42 PolarHBondContact O-N 3.38Å | ||
| 41 | H | 30.7 | Very low | 37.7 | Very low | 186 Ų | 186 | 124.1 Ų | 124.1 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -70 | 107.3 | 179.6 | -97.1 | 68 | 0 | 0 | 0 | 110.1 | ||||
| 42 | G | 37.3 | Very low | 37.5 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | trans | -114.8 | 120.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V40 | V40-G42 PolarHBondContact O-N 3.38Š| ||
| 43 | H | 31.4 | Very low | 38 | Very low | 184 Ų | 184 | 120.3 Ų | 120.3 | 85% | 0.852 | 70% | 0.695 | S | S | * | * | trans | -82.4 | 118.7 | -167.9 | 179.2 | -80 | 0 | 0 | 0 | 112.5 | ||||
| 44 | D | 32.4 | Very low | 38.4 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 66% | 0.663 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 70.6 | 138.5 | 149.5 | -148.1 | -139.7 | 0 | 0 | 0 | 121 | ||
| 45 | E | 31.7 | Very low | 38.8 | Very low | 174 Ų | 174 | 113.6 Ų | 113.6 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 68.9 | 72.7 | 170 | -70.1 | -168 | 83.6 | 0 | 0 | 119.6 | ||
| 46 | A | 36.1 | Very low | 39.2 | Very low | 76 Ų | 76 | 113.3 Ų | 113.3 | 63% | 0.628 | 64% | 0.643 | S | S | * | * | 178.4 | 113.3 | 129.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | P48 | A46-P48 WeakPolarHBondContact O-CD 3.21Š| |||
| 47 | S | 37.2 | Very low | 40 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 90% | 0.895 | 64% | 0.636 | S | S | * | * | trans | -64.6 | 111.8 | 169.3 | -62 | 0 | 0 | 0 | 0 | 109 | ||||
| 48 | P | 45.7 | Very low | 40.3 | Very low | 50 Ų | 50 | 118 Ų | 118 | 33% | 0.325 | 64% | 0.64 | S | S | . | * | trans | -77.7 | 157.3 | 166.4 | 3.2 | 18.5 | 0 | 0 | 0 | 107.8 | A46 E52 L54 | A46-P48 WeakPolarHBondContact O-CD 3.21Å; P48-E52 HydrophobicContact CB-CB 4.03Å; P48-E52 WeakPolarHBondContact CB-O 3.34Å; P48-E52 VanDerWaalsContact CG-O 3.31Å; P48-E52 WeakPolarHBondContact CG-O 3.07Å; P48-L54 HydrophobicContact CG-CD1 4.37Å; P48-L54 HydrophobicContact CG-CG 4.36Å | ||
| 49 | P | 45.1 | Very low | 41 | Very low | 81 Ų | 81 | 113.5 Ų | 113.5 | 53% | 0.526 | 63% | 0.625 | S | S | . | * | trans | -54.6 | 152.8 | 172.8 | 26.3 | -34.7 | 0 | 0 | 0 | 109.7 | N51 E52 | P49-N51 PolarHBondContact O-N 2.97Å; P49-E52 HydrophobicContact CG-CB 4.24Å; P49-E52 HydrophobicContact CG-CG 4.1Å; P49-E52 WeakPolarHBondContact CG-OE2 3.36Å; P49-E52 PolarHBondContact O-N 2.62Å | ||
| 50 | E | 52.1 | Low | 41.9 | Very low | 213 Ų | 213 | 113.1 Ų | 113.1 | 100% | 0.995 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 6.7 | -165.2 | -54.6 | -176.3 | 99.7 | 0 | 0 | 116.9 | ||
| 51 | N | 50 | Low | 42.3 | Very low | 91 Ų | 91 | 113.9 Ų | 113.9 | 49% | 0.487 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.6 | 11.7 | -177.5 | -134.1 | -19.8 | 0 | 0 | 0 | 114.3 | R11 P49 | R11-N51 PolarHBondContact NH1-ND2 3.28Å; P49-N51 PolarHBondContact O-N 2.97Å |
| 52 | E | 39.1 | Very low | 43.2 | Very low | 98 Ų | 98 | 113 Ų | 113 | 46% | 0.458 | 63% | 0.625 | S | S | . | * | trans | -122.8 | 126.8 | 177 | -65.5 | -179.1 | 77.1 | 0 | 0 | 108.4 | P48 P49 | P48-E52 HydrophobicContact CB-CB 4.03Å; P48-E52 WeakPolarHBondContact CB-O 3.34Å; P48-E52 VanDerWaalsContact CG-O 3.31Å; P48-E52 WeakPolarHBondContact CG-O 3.07Å; P49-E52 HydrophobicContact CG-CB 4.24Å; P49-E52 HydrophobicContact CG-CG 4.1Å; P49-E52 WeakPolarHBondContact CG-OE2 3.36Å; P49-E52 PolarHBondContact O-N 2.62Å | ||
| 53 | C | 48.2 | Very low | 43.4 | Very low | 66 Ų | 66 | 116.9 Ų | 116.9 | 45% | 0.446 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.9 | 175 | -174.4 | 0 | 0 | 0 | 0 | 107.1 | I55 | C53-I55 HydrophobicContact CB-CG1 4.45Å; C53-I55 PolarHBondContact O-N 3.46Å |
| 54 | L | 46 | Very low | 44.1 | Very low | 78 Ų | 78 | 119.4 Ų | 119.4 | 41% | 0.408 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.5 | 116.2 | 168.7 | -68.5 | 171 | 0 | 0 | 0 | 107.1 | V7 P48 | V7-L54 HydrophobicContact CG2-CD2 4.15Å; P48-L54 HydrophobicContact CG-CD1 4.37Å; P48-L54 HydrophobicContact CG-CG 4.36Å |
| 55 | I | 51.3 | Low | 44.7 | Very low | 43 Ų | 43 | 120.2 Ų | 120.2 | 22% | 0.221 | 63% | 0.632 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.9 | 179.7 | -52.1 | 171.1 | 0 | 0 | 0 | 107.4 | V8 C53 F57 | V8-I55 HydrophobicContact CG2-CD1 4.19Å; C53-I55 HydrophobicContact CB-CG1 4.45Å; C53-I55 PolarHBondContact O-N 3.46Å; I55-F57 HydrophobicContact CB-CD2 3.91Å; I55-F57 HydrophobicContact CB-CE2 3.6Å; I55-F57 HydrophobicContact CB-CZ 4.49Å; I55-F57 HydrophobicContact CD1-CE2 4.07Å; I55-F57 HydrophobicContact CD1-CZ 4.47Å; I55-F57 HydrophobicContact CG1-CE2 4.44Å; I55-F57 HydrophobicContact CG2-CD2 3.58Å; I55-F57 HydrophobicContact CG2-CE2 3.28Å; I55-F57 HydrophobicContact CG2-CG 4.33Å; I55-F57 HydrophobicContact CG2-CZ 3.8Å; I55-F57 PolarHBondContact O-N 3.31Å |
| 56 | D | 46.8 | Very low | 45.5 | Very low | 99 Ų | 99 | 122 Ų | 122 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | trans | -75 | 106.8 | 168.9 | -118.2 | -87.9 | 0 | 0 | 0 | 107.5 | K3 | K3-D56 WeakPolarHBondContact CE-OD2 3.25Å; K3-D56 IonicContact NZ-OD2 3.83Å | ||
| 57 | F | 48.7 | Very low | 46 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | trans | -98.5 | 125.4 | 172.7 | -81.9 | -85.2 | 0 | 0 | 0 | 109.5 | I55 V59 | I55-F57 HydrophobicContact CB-CD2 3.91Å; I55-F57 HydrophobicContact CB-CE2 3.6Å; I55-F57 HydrophobicContact CB-CZ 4.49Å; I55-F57 HydrophobicContact CD1-CE2 4.07Å; I55-F57 HydrophobicContact CD1-CZ 4.47Å; I55-F57 HydrophobicContact CG1-CE2 4.44Å; I55-F57 HydrophobicContact CG2-CD2 3.58Å; I55-F57 HydrophobicContact CG2-CE2 3.28Å; I55-F57 HydrophobicContact CG2-CG 4.33Å; I55-F57 HydrophobicContact CG2-CZ 3.8Å; I55-F57 PolarHBondContact O-N 3.31Å; F57-V59 PolarHBondContact O-N 2.99Å | ||
| 58 | E | 41.3 | Very low | 46.2 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 90% | 0.902 | 64% | 0.64 | S | S | * | * | trans | -74.2 | 104 | 164.9 | -165.1 | 172.7 | 98.4 | 0 | 0 | 107.7 | P60 | E58-P60 WeakPolarHBondContact O-CD 3.05Š| ||
| 59 | V | 47 | Very low | 45.9 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 49% | 0.485 | 67% | 0.665 | S | S | . | * | trans | -67.1 | 117.9 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | F57 N61 | F57-V59 PolarHBondContact O-N 2.99Å; V59-N61 PolarHBondContact O-N 3.48Å | ||
| 60 | P | 46.1 | Very low | 45.4 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 68% | 0.682 | 68% | 0.68 | S | S | * | * | trans | -59.2 | 128.7 | 172.9 | 24.3 | -30.6 | 0 | 0 | 0 | 107.2 | E58 L62 | E58-P60 WeakPolarHBondContact O-CD 3.05Å; P60-L62 PolarHBondContact O-N 3.32Å | ||
| 61 | N | 45.2 | Very low | 45.1 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | trans | -56.5 | 97.1 | -173.5 | -141.2 | -15.7 | 0 | 0 | 0 | 109.1 | V59 E63 | V59-N61 PolarHBondContact O-N 3.48Å; N61-E63 PolarHBondContact O-N 2.89Å | ||
| 62 | L | 47.9 | Very low | 44.6 | Very low | 166 Ų | 166 | 135 Ų | 135 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | trans | -77.1 | 29.2 | -175.2 | -154.7 | 92.6 | 0 | 0 | 0 | 111.3 | P60 | P60-L62 PolarHBondContact O-N 3.32Š| ||
| 63 | E | 42.6 | Very low | 44.5 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -93.8 | 99.6 | 170.6 | -62.5 | -163.2 | 89.8 | 0 | 0 | 107.3 | N61 | N61-E63 PolarHBondContact O-N 2.89Š|
| 64 | R | 45.1 | Very low | 44.2 | Very low | 237 Ų | 237 | 142.9 Ų | 142.9 | 89% | 0.894 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 102.9 | 53.1 | 163.7 | -53.1 | 166.8 | -177.8 | -178.6 | 1 | 118.5 | ||
| 65 | D | 45.3 | Very low | 44 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -130.3 | 79.9 | 146.8 | -143.3 | -90.1 | 0 | 0 | 0 | 109.4 | E67 | D65-E67 PolarHBondContact O-N 2.76Š| ||
| 66 | K | 49.6 | Very low | 43.6 | Very low | 212 Ų | 212 | 152.6 Ų | 152.6 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | trans | -90 | 53.1 | 163.8 | -77.6 | -177.6 | 172.4 | 176.4 | 0 | 107.9 | ||||
| 67 | E | 46.3 | Very low | 43.4 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -103.8 | 132.8 | 168.9 | -141.4 | 169.4 | 93.2 | 0 | 0 | 108.7 | D65 C69 | D65-E67 PolarHBondContact O-N 2.76Å; E67-C69 PolarHBondContact O-N 3.17Å; E67-C69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | E | 40.4 | Very low | 43.1 | Very low | 177 Ų | 177 | 157.2 Ų | 157.2 | 83% | 0.827 | 83% | 0.832 | S | S | * | * | trans | -70 | 107.1 | -157.2 | -66 | 166.2 | 80.5 | 0 | 0 | 111.3 | E70 | E68-E70 VanDerWaalsContact C-N 3.26Å; E68-E70 PolarHBondContact O-N 3.19Å | ||
| 69 | C | 40.1 | Very low | 43.3 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -72.2 | 87.7 | 161.4 | -106.4 | 0 | 0 | 0 | 0 | 108.3 | E67 L71 | E67-C69 PolarHBondContact O-N 3.17Å; E67-C69 VanDerWaalsContact O-N 3.16Å; C69-L71 PolarHBondContact O-N 3.32Å | ||
| 70 | E | 35.4 | Very low | 43 | Very low | 182 Ų | 182 | 159.8 Ų | 159.8 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | trans | -58.2 | 103.8 | 163.5 | -66.7 | -166.6 | 89.6 | 0 | 0 | 108.5 | E68 | E68-E70 VanDerWaalsContact C-N 3.26Å; E68-E70 PolarHBondContact O-N 3.19Å | ||
| 71 | L | 45.5 | Very low | 42.8 | Very low | 148 Ų | 148 | 163.5 Ų | 163.5 | 78% | 0.775 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 133.2 | 170.4 | -69.1 | 170.7 | 0 | 0 | 0 | 108.3 | C69 Q73 | C69-L71 PolarHBondContact O-N 3.32Å; L71-Q73 PolarHBondContact O-N 3.29Å; L71-Q73 VanDerWaalsContact O-N 3.12Å |
| 72 | P | 38.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 165.6 Ų | 165.6 | 76% | 0.76 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 121.4 | 176.3 | 25.1 | -31.4 | 0 | 0 | 0 | 109 | C74 | P72-C74 PolarHBondContact O-N 3.24Š|
| 73 | Q | 37.2 | Very low | 42.2 | Very low | 193 Ų | 193 | 165.5 Ų | 165.5 | 90% | 0.902 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 116.6 | 172.6 | -63 | -174.6 | -72.6 | 0 | 0 | 108.3 | L71 A75 | L71-Q73 PolarHBondContact O-N 3.29Å; L71-Q73 VanDerWaalsContact O-N 3.12Å; Q73-A75 PolarHBondContact O-N 3.46Å |
| 74 | C | 41 | Very low | 42.2 | Very low | 135 Ų | 135 | 166.8 Ų | 166.8 | 91% | 0.912 | 89% | 0.885 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 118.4 | 171.1 | -69.8 | 0 | 0 | 0 | 0 | 109.4 | P72 | P72-C74 PolarHBondContact O-N 3.24Š|
| 75 | A | 42 | Very low | 42 | Very low | 172 Ų | 172 | 160.5 Ų | 160.5 | 100% | 1.421 | 89% | 0.885 | S | S | * | * | trans | -96.9 | 0 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q73 | Q73-A75 PolarHBondContact O-N 3.46Š|
Retrieved 75 of 75 residues in 27.7 ms
(Link to these results)