| 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 | 35.7 | Very low | 48.3 | Very low | 209 Ų | 209 | 95.4 Ų | 95.4 | 100% | 1.03 | 50% | 0.497 | S | S | * | . | 0 | 95.8 | 0 | -84.2 | -149.3 | -65.8 | 0 | 0 | 105.2 | |||||
| 2 | D | 38.7 | Very low | 49.3 | Very low | 138 Ų | 138 | 100.6 Ų | 100.6 | 74% | 0.738 | 53% | 0.526 | S | S | * | . | trans | -137.5 | 81.7 | 173.4 | -61.7 | -85.8 | 0 | 0 | 0 | 104.5 | L4 | D2-L4 HydrophobicContact CB-CD1 3.95Å; D2-L4 PolarHBondContact O-N 3.26Å | ||
| 3 | F | 44.6 | Very low | 49.7 | Very low | 137 Ų | 137 | 97.8 Ų | 97.8 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | trans | -67 | 76 | 161.2 | -70 | -85.2 | 0 | 0 | 0 | 105.5 | T5 M24 | F3-T5 PolarHBondContact O-N 3.1Å; F3-M24 HydrophobicContact CE1-CB 4.45Å | ||
| 4 | L | 45.3 | Very low | 49.7 | Very low | 84 Ų | 84 | 99.1 Ų | 99.1 | 44% | 0.44 | 54% | 0.541 | S | S | . | . | trans | -50.4 | 117.6 | 166.8 | -111.6 | 71 | 0 | 0 | 0 | 104.1 | D2 C6 V21 C23 | D2-L4 HydrophobicContact CB-CD1 3.95Å; D2-L4 PolarHBondContact O-N 3.26Å; L4-C6 PolarHBondContact O-N 3.32Å; L4-V21 HydrophobicContact CB-CG1 4.33Å; L4-C23 PolarHBondContact O-SG 3.36Å | ||
| 5 | T | 45.7 | Very low | 49.9 | Very low | 99 Ų | 99 | 93.5 Ų | 93.5 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | trans | -48.3 | 134.5 | 179.2 | 41.9 | 0 | 0 | 0 | 0 | 107.8 | F3 A7 S8 | F3-T5 PolarHBondContact O-N 3.1Å; T5-A7 PolarHBondContact O-N 2.73Å; T5-S8 WeakPolarHBondContact O-CB 3.27Å; T5-S8 PolarHBondContact O-N 2.08Å; T5-S8 PolarHBondContact O-OG 3.22Å | ||
| 6 | C | 48.3 | Very low | 50.2 | Low | 17 Ų | 17 | 91.6 Ų | 91.6 | 12% | 0.115 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -42.8 | -32.2 | 179.8 | -88.3 | 0 | 0 | 0 | 0 | 113.2 | L4 S8 C9 M10 C23 V25 I30 | L4-C6 PolarHBondContact O-N 3.32Å; C6-S8 PolarHBondContact O-N 2.73Å; C6-S8 VanDerWaalsContact O-N 3.12Å; C6-C9 CarbonylContact O-C 3.56Å; C6-C9 WeakPolarHBondContact O-CA 3.25Å; C6-C9 WeakPolarHBondContact O-CB 3.12Å; C6-C9 PolarHBondContact O-N 3.36Å; C6-M10 PolarHBondContact O-N 2.89Å; C6-C23 HydrophobicContact CB-CB 4.03Å; C6-C23 WeakPolarHBondContact SG-CB 3.35Å; C6-V25 HydrophobicContact CB-CG2 3.74Å; C6-V25 WeakPolarHBondContact SG-CG2 3.5Å; C6-I30 HydrophobicContact CB-CD1 4.49Å; C6-I30 VanDerWaalsContact SG-CD1 3.56Å |
| 7 | A | 50.8 | Low | 50.2 | Low | 73 Ų | 73 | 91.8 Ų | 91.8 | 60% | 0.603 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -50.7 | -29.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | T5 C9 M10 | T5-A7 PolarHBondContact O-N 2.73Å; A7-C9 VanDerWaalsContact C-N 3.31Å; A7-M10 VanDerWaalsContact O-O 3.05Å |
| 8 | S | 53.2 | Low | 50.6 | Low | 51 Ų | 51 | 88.9 Ų | 88.9 | 36% | 0.357 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -73.5 | -23.9 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 112.8 | T5 C6 L16 | T5-S8 WeakPolarHBondContact O-CB 3.27Å; T5-S8 PolarHBondContact O-N 2.08Å; T5-S8 PolarHBondContact O-OG 3.22Å; C6-S8 PolarHBondContact O-N 2.73Å; C6-S8 VanDerWaalsContact O-N 3.12Å; S8-L16 VanDerWaalsContact O-CD1 3.25Å; S8-L16 WeakPolarHBondContact O-CD1 3.42Å |
| 9 | C | 53.7 | Low | 50.8 | Low | 3 Ų | 3 | 91.3 Ų | 91.3 | 2% | 0.02 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -26 | 177.9 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | C6 A7 C15 L16 V18 V21 C32 | C6-C9 CarbonylContact O-C 3.56Å; C6-C9 WeakPolarHBondContact O-CA 3.25Å; C6-C9 WeakPolarHBondContact O-CB 3.12Å; C6-C9 PolarHBondContact O-N 3.36Å; A7-C9 VanDerWaalsContact C-N 3.31Å; C9-C15 CarbonylContact O-C 3.52Å; C9-C15 VanDerWaalsContact O-CA 3.27Å; C9-C15 WeakPolarHBondContact O-CA 3.49Å; C9-L16 PolarHBondContact O-N 3.07Å; C9-V18 HydrophobicContact CB-CG2 4.48Å; C9-V21 WeakPolarHBondContact SG-CB 3.46Å; C9-V21 WeakPolarHBondContact SG-CG1 3.3Å; C9-C32 HydrophobicContact CB-CB 4.27Å |
| 10 | M | 56.1 | Low | 51 | Low | 48 Ų | 48 | 90.1 Ų | 90.1 | 24% | 0.236 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 105.8 | -176.5 | -80 | -94.3 | -86.1 | 0 | 0 | 109.4 | C6 A7 I14 C37 | C6-M10 PolarHBondContact O-N 2.89Å; A7-M10 VanDerWaalsContact O-O 3.05Å; M10-I14 WeakPolarHBondContact CA-O 3.4Å; M10-C37 WeakPolarHBondContact CG-SG 3.14Å; M10-C37 HydrophobicContact SD-CB 4.18Å; M10-C37 PolarHBondContact SD-SG 2.76Å |
| 11 | R | 59.7 | Low | 51.3 | Low | 190 Ų | 190 | 87 Ų | 87 | 72% | 0.717 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 117 | 173.9 | -168.4 | 169.4 | -177 | 167.4 | 0.5 | 108.7 | G13 I14 L16 | R11-G13 VanDerWaalsContact C-N 3.28Å; R11-G13 PolarHBondContact O-N 2.99Å; R11-I14 PolarHBondContact N-O 2.93Å; R11-I14 PolarHBondContact O-N 2.83Å; R11-I14 VanDerWaalsContact O-N 3.1Å; R11-L16 HydrophobicContact CB-CD1 4.01Å; R11-L16 HydrophobicContact CB-CD2 4.41Å; R11-L16 HydrophobicContact CB-CG 4.25Å |
| 12 | N | 59.6 | Low | 52.3 | Low | 158 Ų | 158 | 81.4 Ų | 81.4 | 85% | 0.845 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 39.8 | -179.6 | -158.9 | 49.3 | 0 | 0 | 0 | 113.7 | I14 | N12-I14 VanDerWaalsContact C-N 3.27Å; N12-I14 PolarHBondContact O-N 3.12Å |
| 13 | G | 55.1 | Low | 53.1 | Low | 65 Ų | 65 | 75 Ų | 75 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 5.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R11 | R11-G13 VanDerWaalsContact C-N 3.28Å; R11-G13 PolarHBondContact O-N 2.99Å |
| 14 | I | 49.8 | Very low | 53.7 | Low | 115 Ų | 115 | 72.2 Ų | 72.2 | 59% | 0.59 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.4 | 179.2 | -55.9 | 171.9 | 0 | 0 | 0 | 109 | M10 R11 N12 L16 | M10-I14 WeakPolarHBondContact CA-O 3.4Å; R11-I14 PolarHBondContact N-O 2.93Å; R11-I14 PolarHBondContact O-N 2.83Å; R11-I14 VanDerWaalsContact O-N 3.1Å; N12-I14 VanDerWaalsContact C-N 3.27Å; N12-I14 PolarHBondContact O-N 3.12Å; I14-L16 PolarHBondContact O-N 2.82Å |
| 15 | C | 52.5 | Low | 54.4 | Low | 15 Ų | 15 | 71.6 Ų | 71.6 | 10% | 0.101 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 121.2 | 173.1 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | C9 C32 C37 | C9-C15 CarbonylContact O-C 3.52Å; C9-C15 VanDerWaalsContact O-CA 3.27Å; C9-C15 WeakPolarHBondContact O-CA 3.49Å; C15-C32 WeakPolarHBondContact CB-SG 3.41Å; C15-C32 WeakPolarHBondContact SG-CB 3.44Å; C15-C32 CovalentContact SG-SG 2.08Å; C15-C32 PolarHBondContact SG-SG 3.45Å; C15-C37 HydrophobicContact CB-CB 3.79Å; C15-C37 WeakPolarHBondContact CB-SG 3.5Å; C15-C37 VanDerWaalsContact SG-SG 3.66Å |
| 16 | L | 54.1 | Low | 55.2 | Low | 64 Ų | 64 | 69.8 Ų | 69.8 | 34% | 0.335 | 42% | 0.417 | S | S | . | . | trans | -70.1 | 149.8 | 174.9 | -70.8 | 170.2 | 0 | 0 | 0 | 109.4 | S8 C9 R11 I14 V18 | S8-L16 VanDerWaalsContact O-CD1 3.25Å; S8-L16 WeakPolarHBondContact O-CD1 3.42Å; C9-L16 PolarHBondContact O-N 3.07Å; R11-L16 HydrophobicContact CB-CD1 4.01Å; R11-L16 HydrophobicContact CB-CD2 4.41Å; R11-L16 HydrophobicContact CB-CG 4.25Å; I14-L16 PolarHBondContact O-N 2.82Å; L16-V18 PolarHBondContact O-N 3.29Å | ||
| 17 | P | 51.4 | Low | 55.8 | Low | 95 Ų | 95 | 72 Ų | 72 | 62% | 0.617 | 43% | 0.427 | S | S | * | . | trans | -71 | 73.4 | 179.1 | 31.1 | -36.1 | 0 | 0 | 0 | 110.5 | K35 | P17-K35 HydrophobicContact CB-CG 3.98Š| ||
| 18 | V | 57.4 | Low | 56 | Low | 39 Ų | 39 | 72.2 Ų | 72.2 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | trans | -96.9 | 142.4 | 169.8 | -63.2 | 0 | 0 | 0 | 0 | 108.6 | C9 L16 V21 C32 | C9-V18 HydrophobicContact CB-CG2 4.48Å; L16-V18 PolarHBondContact O-N 3.29Å; V18-V21 HydrophobicContact CB-CG2 3.73Å; V18-V21 HydrophobicContact CG1-CG2 4.24Å; V18-V21 HydrophobicContact CG2-CB 4.13Å; V18-V21 HydrophobicContact CG2-CG2 3.57Å; V18-C32 HydrophobicContact CG2-CB 3.58Å | ||
| 19 | T | 54.6 | Low | 56.5 | Low | 134 Ų | 134 | 71.3 Ų | 71.3 | 82% | 0.822 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -65.9 | -40.3 | -174.4 | 44.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 20 | S | 53.9 | Low | 56.9 | Low | 67 Ų | 67 | 72 Ų | 72 | 47% | 0.469 | 41% | 0.41 | S | S | . | . | trans | -169.2 | 122.8 | 166.8 | -171.6 | 0 | 0 | 0 | 0 | 108 | C32 | S20-C32 WeakPolarHBondContact CA-O 3.46Š| ||
| 21 | V | 58 | Low | 57.3 | Low | 25 Ų | 25 | 72.4 Ų | 72.4 | 15% | 0.152 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.1 | 169.4 | -170.3 | 0 | 0 | 0 | 0 | 108.7 | L4 C9 V18 C23 C32 | L4-V21 HydrophobicContact CB-CG1 4.33Å; C9-V21 WeakPolarHBondContact SG-CB 3.46Å; C9-V21 WeakPolarHBondContact SG-CG1 3.3Å; V18-V21 HydrophobicContact CB-CG2 3.73Å; V18-V21 HydrophobicContact CG1-CG2 4.24Å; V18-V21 HydrophobicContact CG2-CB 4.13Å; V18-V21 HydrophobicContact CG2-CG2 3.57Å; V21-C23 WeakPolarHBondContact CG1-SG 3.36Å; V21-C32 PolarHBondContact N-O 2.88Å; V21-C32 PolarHBondContact O-N 2.79Å; V21-C32 VanDerWaalsContact O-N 3.12Å |
| 22 | K | 56.8 | Low | 57.3 | Low | 92 Ų | 92 | 63.5 Ų | 63.5 | 40% | 0.4 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.2 | 171.9 | -54.7 | -173.1 | -171.7 | -176.4 | 0 | 107.6 | F31 H51 | K22-F31 HydrophobicContact CB-CE1 4.47Å; K22-F31 HydrophobicContact CD-CD1 4.06Å; K22-F31 HydrophobicContact CD-CE1 3.44Å; K22-F31 VanDerWaalsContact CD-CE1 3.44Å; K22-F31 HydrophobicContact CD-CZ 4.23Å; K22-F31 HydrophobicContact CG-CD1 3.69Å; K22-F31 HydrophobicContact CG-CE1 3.61Å; K22-H51 PolarHBondContact NZ-CE1 3.34Å; K22-H51 VanDerWaalsContact NZ-CE1 3.29Å |
| 23 | C | 55 | Low | 57.5 | Low | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.5 | 179.1 | -60.1 | 0 | 0 | 0 | 0 | 109.1 | L4 C6 V21 L29 I30 | L4-C23 PolarHBondContact O-SG 3.36Å; C6-C23 HydrophobicContact CB-CB 4.03Å; C6-C23 WeakPolarHBondContact SG-CB 3.35Å; V21-C23 WeakPolarHBondContact CG1-SG 3.36Å; C23-L29 WeakPolarHBondContact O-CA 3.49Å; C23-I30 PolarHBondContact N-O 2.74Å; C23-I30 PolarHBondContact O-N 3.12Å |
| 24 | M | 57.1 | Low | 57.7 | Low | 80 Ų | 80 | 64.6 Ų | 64.6 | 39% | 0.394 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.9 | 176.3 | -169.9 | 178 | -71.7 | 0 | 0 | 108.2 | F3 G26 E28 L29 L47 | F3-M24 HydrophobicContact CE1-CB 4.45Å; M24-G26 WeakPolarHBondContact CG-O 3.27Å; M24-E28 CarbonylContact C-O 3.57Å; M24-E28 WeakPolarHBondContact CA-O 3.46Å; M24-L29 HydrophobicContact CB-CD1 4.18Å; M24-L29 HydrophobicContact CE-CD1 4.02Å; M24-L47 HydrophobicContact CE-CD2 3.88Å; M24-L47 HydrophobicContact SD-CD2 4.42Å |
| 25 | V | 59.1 | Low | 57.9 | Low | 71 Ų | 71 | 66.3 Ų | 66.3 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 97 | 175.5 | -176.9 | 0 | 0 | 0 | 0 | 106.8 | C6 N27 E28 | C6-V25 HydrophobicContact CB-CG2 3.74Å; C6-V25 WeakPolarHBondContact SG-CG2 3.5Å; V25-N27 PolarHBondContact O-N 3.29Å; V25-E28 PolarHBondContact N-O 2.83Å; V25-E28 PolarHBondContact O-N 2.97Å |
| 26 | G | 63.9 | Low | 57.9 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 62% | 0.619 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | -117.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | M24 | M24-G26 WeakPolarHBondContact CG-O 3.27Š|
| 27 | N | 60.7 | Low | 58 | Low | 63 Ų | 63 | 71.1 Ų | 71.1 | 34% | 0.337 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 3.4 | 178.8 | -61.8 | -13 | 0 | 0 | 0 | 113.1 | V25 L42 L44 | V25-N27 PolarHBondContact O-N 3.29Å; N27-L42 PolarHBondContact O-N 3.19Å; N27-L44 WeakPolarHBondContact ND2-CG 2.97Å |
| 28 | E | 54.9 | Low | 58.4 | Low | 79 Ų | 79 | 70.6 Ų | 70.6 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.7 | -179.7 | -63.9 | -179 | 91.8 | 0 | 0 | 109.6 | M24 V25 F41 | M24-E28 CarbonylContact C-O 3.57Å; M24-E28 WeakPolarHBondContact CA-O 3.46Å; V25-E28 PolarHBondContact N-O 2.83Å; V25-E28 PolarHBondContact O-N 2.97Å; E28-F41 HydrophobicContact CG-CD2 3.7Å; E28-F41 HydrophobicContact CG-CE2 4.19Å |
| 29 | L | 62.8 | Low | 58.6 | Low | 31 Ų | 31 | 73.2 Ų | 73.2 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 114.9 | 175 | -170.9 | 74.5 | 0 | 0 | 0 | 108.3 | C23 M24 F31 Y40 L42 | C23-L29 WeakPolarHBondContact O-CA 3.49Å; M24-L29 HydrophobicContact CB-CD1 4.18Å; M24-L29 HydrophobicContact CE-CD1 4.02Å; L29-F31 HydrophobicContact CB-CE2 4.35Å; L29-F31 HydrophobicContact CD2-CD2 4.2Å; L29-F31 HydrophobicContact CD2-CE2 3.15Å; L29-F31 HydrophobicContact CD2-CZ 3.38Å; L29-F31 HydrophobicContact CG-CD2 4.06Å; L29-F31 HydrophobicContact CG-CE2 3.47Å; L29-F31 VanDerWaalsContact CG-CE2 3.47Å; L29-F31 HydrophobicContact CG-CZ 3.99Å; L29-Y40 PolarHBondContact N-O 2.97Å; L29-Y40 PolarHBondContact O-N 2.98Å; L29-L42 HydrophobicContact CB-CD1 3.23Å; L29-L42 HydrophobicContact CD2-CD1 3.84Å; L29-L42 HydrophobicContact CG-CD1 4.13Å |
| 30 | I | 61.8 | Low | 58.8 | Low | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.087 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.7 | -179.2 | -53.1 | -170.4 | 0 | 0 | 0 | 107.8 | C6 C23 | C6-I30 HydrophobicContact CB-CD1 4.49Å; C6-I30 VanDerWaalsContact SG-CD1 3.56Å; C23-I30 PolarHBondContact N-O 2.74Å; C23-I30 PolarHBondContact O-N 3.12Å |
| 31 | F | 64.2 | Low | 58.8 | Low | 58 Ų | 58 | 76.2 Ų | 76.2 | 25% | 0.254 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 116.5 | 172.9 | -69.9 | -100.8 | 0 | 0 | 0 | 109.1 | K22 L29 C37 I38 Y40 | K22-F31 HydrophobicContact CB-CE1 4.47Å; K22-F31 HydrophobicContact CD-CD1 4.06Å; K22-F31 HydrophobicContact CD-CE1 3.44Å; K22-F31 VanDerWaalsContact CD-CE1 3.44Å; K22-F31 HydrophobicContact CD-CZ 4.23Å; K22-F31 HydrophobicContact CG-CD1 3.69Å; K22-F31 HydrophobicContact CG-CE1 3.61Å; L29-F31 HydrophobicContact CB-CE2 4.35Å; L29-F31 HydrophobicContact CD2-CD2 4.2Å; L29-F31 HydrophobicContact CD2-CE2 3.15Å; L29-F31 HydrophobicContact CD2-CZ 3.38Å; L29-F31 HydrophobicContact CG-CD2 4.06Å; L29-F31 HydrophobicContact CG-CE2 3.47Å; L29-F31 VanDerWaalsContact CG-CE2 3.47Å; L29-F31 HydrophobicContact CG-CZ 3.99Å; F31-C37 CarbonylContact O-C 3.57Å; F31-C37 WeakPolarHBondContact O-CA 3.46Å; F31-I38 PolarHBondContact N-O 3.03Å; F31-I38 PolarHBondContact O-N 2.82Å; F31-Y40 AromaticContact CD2-CD2 3.5Å; F31-Y40 HydrophobicContact CD2-CD2 3.5Å; F31-Y40 VanDerWaalsContact CD2-CD2 3.5Å; F31-Y40 AromaticContact CD2-CE2 3.71Å; F31-Y40 HydrophobicContact CD2-CE2 3.71Å; F31-Y40 AromaticContact CE2-CD2 3.79Å; F31-Y40 HydrophobicContact CE2-CD2 3.79Å; F31-Y40 HydrophobicContact CE2-CE2 4.11Å; F31-Y40 HydrophobicContact CG-CE2 4.47Å |
| 32 | C | 60.6 | Low | 58.7 | Low | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.014 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.8 | 164.9 | -96.1 | 0 | 0 | 0 | 0 | 108.3 | C9 C15 V18 S20 V21 E36 C37 | C9-C32 HydrophobicContact CB-CB 4.27Å; C15-C32 WeakPolarHBondContact CB-SG 3.41Å; C15-C32 WeakPolarHBondContact SG-CB 3.44Å; C15-C32 CovalentContact SG-SG 2.08Å; C15-C32 PolarHBondContact SG-SG 3.45Å; V18-C32 HydrophobicContact CG2-CB 3.58Å; S20-C32 WeakPolarHBondContact CA-O 3.46Å; V21-C32 PolarHBondContact N-O 2.88Å; V21-C32 PolarHBondContact O-N 2.79Å; V21-C32 VanDerWaalsContact O-N 3.12Å; C32-E36 CarbonylContact C-O 3.47Å; C32-E36 VanDerWaalsContact CA-O 3.3Å; C32-E36 WeakPolarHBondContact CA-O 3.4Å; C32-C37 PolarHBondContact SG-SG 2.82Å |
| 33 | Q | 62.9 | Low | 58 | Low | 117 Ų | 117 | 75.7 Ų | 75.7 | 55% | 0.547 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 135 | 168.9 | -170.1 | 175.6 | 28.2 | 0 | 0 | 109.6 | K35 E36 | Q33-K35 VanDerWaalsContact C-N 3.29Å; Q33-K35 PolarHBondContact O-N 2.79Å; Q33-E36 PolarHBondContact N-O 3.22Å; Q33-E36 PolarHBondContact O-N 3.29Å |
| 34 | N | 59.9 | Low | 57.7 | Low | 130 Ų | 130 | 81.6 Ų | 81.6 | 70% | 0.695 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 41.9 | 175 | -66.4 | -17.2 | 0 | 0 | 0 | 114.4 | E36 | N34-E36 PolarHBondContact O-N 2.82Š|
| 35 | K | 53.4 | Low | 56.9 | Low | 151 Ų | 151 | 85.2 Ų | 85.2 | 66% | 0.657 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 5.2 | -176.6 | -50.3 | 177.7 | 178.9 | 178.5 | 0 | 115.2 | P17 Q33 | P17-K35 HydrophobicContact CB-CG 3.98Å; Q33-K35 VanDerWaalsContact C-N 3.29Å; Q33-K35 PolarHBondContact O-N 2.79Å |
| 36 | E | 52.6 | Low | 56.1 | Low | 144 Ų | 144 | 85.6 Ų | 85.6 | 67% | 0.673 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.5 | 172 | -62.9 | -153.7 | 92.5 | 0 | 0 | 110.3 | C32 Q33 N34 | C32-E36 CarbonylContact C-O 3.47Å; C32-E36 VanDerWaalsContact CA-O 3.3Å; C32-E36 WeakPolarHBondContact CA-O 3.4Å; Q33-E36 PolarHBondContact N-O 3.22Å; Q33-E36 PolarHBondContact O-N 3.29Å; N34-E36 PolarHBondContact O-N 2.82Å |
| 37 | C | 56.3 | Low | 54.9 | Low | 36 Ų | 36 | 87.3 Ų | 87.3 | 24% | 0.243 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.1 | 171.8 | -113 | 0 | 0 | 0 | 0 | 108.4 | M10 C15 F31 C32 | M10-C37 WeakPolarHBondContact CG-SG 3.14Å; M10-C37 HydrophobicContact SD-CB 4.18Å; M10-C37 PolarHBondContact SD-SG 2.76Å; C15-C37 HydrophobicContact CB-CB 3.79Å; C15-C37 WeakPolarHBondContact CB-SG 3.5Å; C15-C37 VanDerWaalsContact SG-SG 3.66Å; F31-C37 CarbonylContact O-C 3.57Å; F31-C37 WeakPolarHBondContact O-CA 3.46Å; C32-C37 PolarHBondContact SG-SG 2.82Å |
| 38 | I | 60.2 | Low | 53.6 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 43% | 0.431 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.2 | 171.8 | -48.6 | 176.8 | 0 | 0 | 0 | 108 | F31 Y40 | F31-I38 PolarHBondContact N-O 3.03Å; F31-I38 PolarHBondContact O-N 2.82Å; I38-Y40 HydrophobicContact CB-CD2 4.42Å; I38-Y40 HydrophobicContact CB-CE2 3.79Å; I38-Y40 HydrophobicContact CG2-CD2 3.93Å; I38-Y40 HydrophobicContact CG2-CE1 4.45Å; I38-Y40 HydrophobicContact CG2-CE2 3.29Å |
| 39 | H | 62.8 | Low | 52.7 | Low | 93 Ų | 93 | 94.2 Ų | 94.2 | 43% | 0.431 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.5 | 178.1 | -68.4 | -150.2 | 0 | 0 | 0 | 108.5 | ||
| 40 | Y | 58.6 | Low | 51.2 | Low | 120 Ų | 120 | 101 Ų | 101 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.6 | 171.3 | -67.3 | -93.3 | 0 | 0 | 0 | 108.5 | L29 F31 I38 L42 | L29-Y40 PolarHBondContact N-O 2.97Å; L29-Y40 PolarHBondContact O-N 2.98Å; F31-Y40 AromaticContact CD2-CD2 3.5Å; F31-Y40 HydrophobicContact CD2-CD2 3.5Å; F31-Y40 VanDerWaalsContact CD2-CD2 3.5Å; F31-Y40 AromaticContact CD2-CE2 3.71Å; F31-Y40 HydrophobicContact CD2-CE2 3.71Å; F31-Y40 AromaticContact CE2-CD2 3.79Å; F31-Y40 HydrophobicContact CE2-CD2 3.79Å; F31-Y40 HydrophobicContact CE2-CE2 4.11Å; F31-Y40 HydrophobicContact CG-CE2 4.47Å; I38-Y40 HydrophobicContact CB-CD2 4.42Å; I38-Y40 HydrophobicContact CB-CE2 3.79Å; I38-Y40 HydrophobicContact CG2-CD2 3.93Å; I38-Y40 HydrophobicContact CG2-CE1 4.45Å; I38-Y40 HydrophobicContact CG2-CE2 3.29Å; Y40-L42 PolarHBondContact O-N 3.17Å |
| 41 | F | 52.9 | Low | 49.9 | Very low | 145 Ų | 145 | 106.6 Ų | 106.6 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 106.4 | 165.9 | -167 | -92.2 | 0 | 0 | 0 | 107.3 | E28 P43 | E28-F41 HydrophobicContact CG-CD2 3.7Å; E28-F41 HydrophobicContact CG-CE2 4.19Å; F41-P43 WeakPolarHBondContact O-CD 3.49Å |
| 42 | L | 55.2 | Low | 48.3 | Very low | 34 Ų | 34 | 108.7 Ų | 108.7 | 18% | 0.178 | 54% | 0.539 | C | S | . | . | trans | -79.2 | 115.5 | 173.7 | -77.4 | 116.6 | 0 | 0 | 0 | 108.3 | N27 L29 Y40 L44 I46 | N27-L42 PolarHBondContact O-N 3.19Å; L29-L42 HydrophobicContact CB-CD1 3.23Å; L29-L42 HydrophobicContact CD2-CD1 3.84Å; L29-L42 HydrophobicContact CG-CD1 4.13Å; Y40-L42 PolarHBondContact O-N 3.17Å; L42-L44 PolarHBondContact O-N 3.29Å; L42-I46 HydrophobicContact CD2-CB 4.31Å | ||
| 43 | P | 43.6 | Very low | 47.1 | Very low | 72 Ų | 72 | 113.4 Ų | 113.4 | 47% | 0.468 | 57% | 0.572 | S | S | . | * | trans | -59 | 131.7 | 158.1 | 26 | -30.8 | 0 | 0 | 0 | 107.1 | F41 N45 I46 | F41-P43 WeakPolarHBondContact O-CD 3.49Å; P43-N45 PolarHBondContact O-N 2.78Å; P43-I46 HydrophobicContact CG-CD1 4.26Å; P43-I46 PolarHBondContact O-N 2.98Å | ||
| 44 | L | 49 | Very low | 45.7 | Very low | 126 Ų | 126 | 112.7 Ų | 112.7 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49 | -4.2 | -176.1 | -78.7 | 153.2 | 0 | 0 | 0 | 116 | N27 L42 | N27-L44 WeakPolarHBondContact ND2-CG 2.97Å; L42-L44 PolarHBondContact O-N 3.29Å |
| 45 | N | 40.4 | Very low | 44.4 | Very low | 157 Ų | 157 | 109.3 Ų | 109.3 | 84% | 0.84 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -14.2 | 177.1 | -96.4 | -49.9 | 0 | 0 | 0 | 115.4 | P43 | P43-N45 PolarHBondContact O-N 2.78Š|
| 46 | I | 41.1 | Very low | 43.4 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 40% | 0.4 | 59% | 0.585 | S | S | . | * | trans | -110.5 | 4.1 | -169.2 | -52.9 | 178.2 | 0 | 0 | 0 | 113.1 | L42 P43 S48 F49 | L42-I46 HydrophobicContact CD2-CB 4.31Å; P43-I46 HydrophobicContact CG-CD1 4.26Å; P43-I46 PolarHBondContact O-N 2.98Å; I46-S48 PolarHBondContact O-N 3.13Å; I46-F49 HydrophobicContact CG2-CD2 3.38Å; I46-F49 HydrophobicContact CG2-CE2 3.86Å; I46-F49 HydrophobicContact CG2-CG 4.25Å; I46-F49 PolarHBondContact O-N 3.48Å | ||
| 47 | L | 38.8 | Very low | 42.5 | Very low | 97 Ų | 97 | 111.4 Ų | 111.4 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | 3.4 | 176.6 | -93.1 | 151.5 | 0 | 0 | 0 | 114.8 | M24 | M24-L47 HydrophobicContact CE-CD2 3.88Å; M24-L47 HydrophobicContact SD-CD2 4.42Å |
| 48 | S | 33.8 | Very low | 41.7 | Very low | 110 Ų | 110 | 118 Ų | 118 | 77% | 0.769 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 18.2 | 164.9 | -141.9 | 0 | 0 | 0 | 0 | 113.5 | I46 K50 | I46-S48 PolarHBondContact O-N 3.13Å; S48-K50 PolarHBondContact O-N 2.86Å |
| 49 | F | 35 | Very low | 40.7 | Very low | 177 Ų | 177 | 119.7 Ų | 119.7 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | trans | -78.8 | 72.7 | 160.9 | -92 | -98.3 | 0 | 0 | 0 | 109.7 | I46 H51 | I46-F49 HydrophobicContact CG2-CD2 3.38Å; I46-F49 HydrophobicContact CG2-CE2 3.86Å; I46-F49 HydrophobicContact CG2-CG 4.25Å; I46-F49 PolarHBondContact O-N 3.48Å; F49-H51 VanDerWaalsContact C-N 3.28Å; F49-H51 PolarHBondContact O-N 3.01Å | ||
| 50 | K | 33 | Very low | 39.6 | Very low | 172 Ų | 172 | 121.1 Ų | 121.1 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | trans | -32.5 | 96.8 | 146.1 | -167 | 172.4 | 174.5 | -167.9 | 0 | 108 | S48 D52 | S48-K50 PolarHBondContact O-N 2.86Å; K50-D52 PolarHBondContact O-N 2.84Å | ||
| 51 | H | 33.3 | Very low | 38.5 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 63% | 0.625 | 68% | 0.684 | S | S | * | * | trans | -66.7 | 89.3 | 164.1 | -157.6 | 111.6 | 0 | 0 | 0 | 104.2 | K22 F49 S53 | K22-H51 PolarHBondContact NZ-CE1 3.34Å; K22-H51 VanDerWaalsContact NZ-CE1 3.29Å; F49-H51 VanDerWaalsContact C-N 3.28Å; F49-H51 PolarHBondContact O-N 3.01Å; H51-S53 PolarHBondContact CD2-OG 3.2Å; H51-S53 PolarHBondContact O-N 2.68Å | ||
| 52 | D | 30.6 | Very low | 37.7 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | trans | -64.6 | 80 | 169.3 | -160.9 | -85.7 | 0 | 0 | 0 | 106.6 | K50 T54 | K50-D52 PolarHBondContact O-N 2.84Å; D52-T54 PolarHBondContact O-N 2.92Å; D52-T54 VanDerWaalsContact O-N 3.13Å; D52-T54 WeakPolarHBondContact OD1-CB 3.39Å; D52-T54 PolarHBondContact OD1-N 2.96Å; D52-T54 PolarHBondContact OD1-OG1 3.23Å; D52-T54 PolarHBondContact OD2-OG1 2.67Å | ||
| 53 | S | 35.3 | Very low | 36.6 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | trans | -77.2 | 63.9 | 159.1 | -62.9 | 0 | 0 | 0 | 0 | 107.4 | H51 | H51-S53 PolarHBondContact CD2-OG 3.2Å; H51-S53 PolarHBondContact O-N 2.68Å | ||
| 54 | T | 33.5 | Very low | 36.1 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | -125.7 | 109.2 | 166.6 | -2.6 | 0 | 0 | 0 | 0 | 107.7 | D52 | D52-T54 PolarHBondContact O-N 2.92Å; D52-T54 VanDerWaalsContact O-N 3.13Å; D52-T54 WeakPolarHBondContact OD1-CB 3.39Å; D52-T54 PolarHBondContact OD1-N 2.96Å; D52-T54 PolarHBondContact OD1-OG1 3.23Å; D52-T54 PolarHBondContact OD2-OG1 2.67Å | ||
| 55 | G | 33.4 | Very low | 35.2 | Very low | 59 Ų | 59 | 128.9 Ų | 128.9 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | trans | -66.5 | 135.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L57 | G55-L57 PolarHBondContact O-N 2.91Š| ||
| 56 | L | 32.2 | Very low | 34.8 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 94% | 0.937 | 73% | 0.733 | S | S | * | * | trans | -69 | 83.3 | 136.3 | -101.6 | 80.8 | 0 | 0 | 0 | 107.7 | ||||
| 57 | L | 33.8 | Very low | 34.3 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -72.1 | 136.9 | 151.6 | -73.4 | 138.1 | 0 | 0 | 0 | 107.3 | G55 | G55-L57 PolarHBondContact O-N 2.91Š| ||
| 58 | A | 38.6 | Very low | 33.9 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 100% | 1.446 | 78% | 0.784 | S | S | * | * | trans | 84.5 | 0 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.4 |
Retrieved 58 of 58 residues in 52.7 ms
(Link to these results)