| 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 | 21.5 | Very low | 27.4 | Very low | 218 Ų | 218 | 103.7 Ų | 103.7 | 100% | 1.074 | 56% | 0.557 | S | S | * | * | 0 | 93.2 | 0 | -174 | 177.4 | 76.8 | 0 | 0 | 107.3 | V3 | M1-V3 HydrophobicContact CE-CG2 3.73Å; M1-V3 HydrophobicContact CG-CG2 4.03Å; M1-V3 PolarHBondContact O-N 3.45Å; M1-V3 HydrophobicContact SD-CG2 4.41Å | |||
| 2 | I | 22.5 | Very low | 27.8 | Very low | 89 Ų | 89 | 100.6 Ų | 100.6 | 46% | 0.456 | 57% | 0.567 | S | S | . | * | trans | -81.9 | 104.9 | 174.8 | -70.8 | 159.8 | 0 | 0 | 0 | 106.3 | F4 I207 | I2-F4 HydrophobicContact CB-CE2 4.34Å; I2-F4 HydrophobicContact CG2-CD2 3.63Å; I2-F4 HydrophobicContact CG2-CE1 4.36Å; I2-F4 HydrophobicContact CG2-CE2 3.35Å; I2-F4 HydrophobicContact CG2-CG 4.25Å; I2-F4 HydrophobicContact CG2-CZ 3.76Å; I2-F4 PolarHBondContact O-N 2.99Å; I2-I207 HydrophobicContact CB-CD1 3.97Å; I2-I207 HydrophobicContact CD1-CD1 3.87Å; I2-I207 HydrophobicContact CD1-CG2 3.68Å; I2-I207 HydrophobicContact CG1-CD1 4.43Å | ||
| 3 | V | 20.1 | Very low | 27.8 | Very low | 90 Ų | 90 | 104.6 Ų | 104.6 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | trans | -85.4 | 94.9 | 172.4 | 179.6 | 0 | 0 | 0 | 0 | 106.1 | M1 T5 | M1-V3 HydrophobicContact CE-CG2 3.73Å; M1-V3 HydrophobicContact CG-CG2 4.03Å; M1-V3 PolarHBondContact O-N 3.45Å; M1-V3 HydrophobicContact SD-CG2 4.41Å; V3-T5 HydrophobicContact CG1-CG2 4.04Å; V3-T5 PolarHBondContact O-N 2.68Å; V3-T5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | F | 26.8 | Very low | 28.1 | Very low | 58 Ų | 58 | 106.3 Ų | 106.3 | 25% | 0.254 | 59% | 0.586 | S | S | . | * | trans | -68.7 | 111.6 | 165 | -70.8 | -88 | 0 | 0 | 0 | 108.3 | I2 Y18 I190 F192 | I2-F4 HydrophobicContact CB-CE2 4.34Å; I2-F4 HydrophobicContact CG2-CD2 3.63Å; I2-F4 HydrophobicContact CG2-CE1 4.36Å; I2-F4 HydrophobicContact CG2-CE2 3.35Å; I2-F4 HydrophobicContact CG2-CG 4.25Å; I2-F4 HydrophobicContact CG2-CZ 3.76Å; I2-F4 PolarHBondContact O-N 2.99Å; F4-Y18 HydrophobicContact CB-CE2 3.94Å; F4-Y18 WeakPolarHBondContact CB-OH 3.18Å; F4-I190 HydrophobicContact CE1-CB 4.31Å; F4-I190 HydrophobicContact CE1-CD1 3.37Å; F4-I190 HydrophobicContact CE1-CG1 4.06Å; F4-I190 HydrophobicContact CE1-CG2 3.67Å; F4-I190 HydrophobicContact CE2-CG2 4.3Å; F4-I190 HydrophobicContact CZ-CB 4.08Å; F4-I190 HydrophobicContact CZ-CD1 3.31Å; F4-I190 HydrophobicContact CZ-CG1 3.63Å; F4-I190 HydrophobicContact CZ-CG2 3.36Å; F4-F192 HydrophobicContact CD1-CZ 4.49Å; F4-F192 HydrophobicContact CE1-CZ 4.25Å | ||
| 5 | T | 22.5 | Very low | 28.3 | Very low | 73 Ų | 73 | 105.4 Ų | 105.4 | 45% | 0.448 | 58% | 0.576 | S | S | . | * | trans | -114.8 | 97.2 | 161.4 | 36.7 | 0 | 0 | 0 | 0 | 106 | V3 I7 L16 | V3-T5 HydrophobicContact CG1-CG2 4.04Å; V3-T5 PolarHBondContact O-N 2.68Å; V3-T5 VanDerWaalsContact O-N 3.15Å; T5-I7 WeakPolarHBondContact O-CG1 3.29Å; T5-I7 PolarHBondContact O-N 3.22Å; T5-L16 HydrophobicContact CG2-CD2 4.03Å | ||
| 6 | P | 30.6 | Very low | 28.5 | Very low | 50 Ų | 50 | 106.4 Ų | 106.4 | 33% | 0.325 | 58% | 0.58 | S | S | . | * | trans | -68.3 | 97.8 | 153.8 | 20.7 | -11.5 | 0 | 0 | 0 | 103.9 | H8 A17 Y18 | P6-H8 PolarHBondContact O-N 2.83Å; P6-H8 VanDerWaalsContact O-N 3.15Å; P6-A17 HydrophobicContact CB-CB 3.84Å; P6-A17 HydrophobicContact CG-CB 3.89Å; P6-A17 WeakPolarHBondContact O-CB 3.05Å; P6-A17 PolarHBondContact O-N 3.35Å; P6-Y18 HydrophobicContact CG-CD2 3.92Å; P6-Y18 HydrophobicContact CG-CE1 4.11Å; P6-Y18 HydrophobicContact CG-CE2 3.41Å; P6-Y18 VanDerWaalsContact CG-CE2 3.41Å; P6-Y18 HydrophobicContact CG-CG 4.47Å; P6-Y18 VanDerWaalsContact CG-CZ 3.48Å | ||
| 7 | I | 27.9 | Very low | 28.6 | Very low | 97 Ų | 97 | 102.2 Ų | 102.2 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 96.9 | -177 | -55 | 168 | 0 | 0 | 0 | 105.9 | T5 N14 | T5-I7 WeakPolarHBondContact O-CG1 3.29Å; T5-I7 PolarHBondContact O-N 3.22Å; I7-N14 HydrophobicContact CG2-CB 4.48Å; I7-N14 WeakPolarHBondContact CG2-OD1 3.34Å |
| 8 | H | 31.9 | Very low | 28.8 | Very low | 131 Ų | 131 | 99.3 Ų | 99.3 | 61% | 0.606 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.2 | 159.3 | -118.4 | -71.3 | 0 | 0 | 0 | 107.4 | P6 E15 A17 | P6-H8 PolarHBondContact O-N 2.83Å; P6-H8 VanDerWaalsContact O-N 3.15Å; H8-E15 PolarHBondContact O-N 2.83Å; H8-A17 HydrophobicContact CB-CB 4.17Å |
| 9 | T | 26.9 | Very low | 29.2 | Very low | 89 Ų | 89 | 96 Ų | 96 | 55% | 0.546 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.3 | 172.1 | 1.1 | 0 | 0 | 0 | 0 | 108.3 | ||
| 10 | V | 32.8 | Very low | 29.8 | Very low | 81 Ų | 81 | 97.4 Ų | 97.4 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.8 | 167.2 | -176.4 | 0 | 0 | 0 | 0 | 106.9 | G12 Q13 | V10-G12 VanDerWaalsContact C-N 3.26Å; V10-G12 PolarHBondContact O-N 3.17Å; V10-Q13 PolarHBondContact O-N 3.4Å |
| 11 | N | 37.8 | Very low | 30.1 | Very low | 165 Ų | 165 | 94.7 Ų | 94.7 | 88% | 0.882 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33 | -175.4 | -66.3 | -18.6 | 0 | 0 | 0 | 115.6 | Q13 | N11-Q13 VanDerWaalsContact C-N 3.3Å; N11-Q13 PolarHBondContact O-N 3.05Å |
| 12 | G | 32.6 | Very low | 30.9 | Very low | 66 Ų | 66 | 85.7 Ų | 85.7 | 68% | 0.68 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 7.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V10 | V10-G12 VanDerWaalsContact C-N 3.26Å; V10-G12 PolarHBondContact O-N 3.17Å |
| 13 | Q | 27.9 | Very low | 31.5 | Very low | 153 Ų | 153 | 86.4 Ų | 86.4 | 72% | 0.715 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 137.6 | 167.6 | -72.5 | -173.7 | -24.4 | 0 | 0 | 110.2 | V10 N11 E15 | V10-Q13 PolarHBondContact O-N 3.4Å; N11-Q13 VanDerWaalsContact C-N 3.3Å; N11-Q13 PolarHBondContact O-N 3.05Å; Q13-E15 PolarHBondContact O-N 3.04Å |
| 14 | N | 32.1 | Very low | 32 | Very low | 128 Ų | 128 | 86.6 Ų | 86.6 | 68% | 0.684 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 112.2 | 176.5 | -67.2 | -28.1 | 0 | 0 | 0 | 108.9 | I7 | I7-N14 HydrophobicContact CG2-CB 4.48Å; I7-N14 WeakPolarHBondContact CG2-OD1 3.34Å |
| 15 | E | 30.6 | Very low | 32.3 | Very low | 93 Ų | 93 | 94 Ų | 94 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 136.1 | 166.3 | -78.5 | -165.7 | 143.4 | 0 | 0 | 110.4 | H8 Q13 A17 | H8-E15 PolarHBondContact O-N 2.83Å; Q13-E15 PolarHBondContact O-N 3.04Å; E15-A17 PolarHBondContact O-N 3.07Å; E15-A17 VanDerWaalsContact O-N 3.14Å |
| 16 | L | 31.3 | Very low | 33.1 | Very low | 121 Ų | 121 | 97.7 Ų | 97.7 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 107.8 | 169.7 | -77.5 | 159.8 | 0 | 0 | 0 | 108.3 | T5 Y18 | T5-L16 HydrophobicContact CG2-CD2 4.03Å; L16-Y18 PolarHBondContact O-N 3.05Å |
| 17 | A | 29.8 | Very low | 33.6 | Very low | 35 Ų | 35 | 103.3 Ų | 103.3 | 29% | 0.289 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 17.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P6 H8 E15 | P6-A17 HydrophobicContact CB-CB 3.84Å; P6-A17 HydrophobicContact CG-CB 3.89Å; P6-A17 WeakPolarHBondContact O-CB 3.05Å; P6-A17 PolarHBondContact O-N 3.35Å; H8-A17 HydrophobicContact CB-CB 4.17Å; E15-A17 PolarHBondContact O-N 3.07Å; E15-A17 VanDerWaalsContact O-N 3.14Å |
| 18 | Y | 33.6 | Very low | 34.5 | Very low | 51 Ų | 51 | 102.7 Ų | 102.7 | 20% | 0.2 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -20.7 | -176.7 | -78.9 | -68.9 | 0 | 0 | 0 | 114.6 | F4 P6 L16 L201 | F4-Y18 HydrophobicContact CB-CE2 3.94Å; F4-Y18 WeakPolarHBondContact CB-OH 3.18Å; P6-Y18 HydrophobicContact CG-CD2 3.92Å; P6-Y18 HydrophobicContact CG-CE1 4.11Å; P6-Y18 HydrophobicContact CG-CE2 3.41Å; P6-Y18 VanDerWaalsContact CG-CE2 3.41Å; P6-Y18 HydrophobicContact CG-CG 4.47Å; P6-Y18 VanDerWaalsContact CG-CZ 3.48Å; L16-Y18 PolarHBondContact O-N 3.05Å; Y18-L201 HydrophobicContact CD1-CD2 3.45Å; Y18-L201 VanDerWaalsContact CD1-CD2 3.45Å; Y18-L201 HydrophobicContact CE1-CD2 3.92Å; Y18-L201 HydrophobicContact CG-CD2 3.83Å |
| 19 | L | 35.1 | Very low | 35.5 | Very low | 36 Ų | 36 | 103.6 Ų | 103.6 | 19% | 0.188 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -138 | 93.2 | -171.6 | -71.3 | 156.1 | 0 | 0 | 0 | 108.4 | T21 V35 Y115 | L19-T21 PolarHBondContact O-N 2.79Å; L19-V35 VanDerWaalsContact CD1-C 3.43Å; L19-V35 HydrophobicContact CD1-CB 3.76Å; L19-V35 HydrophobicContact CD1-CG1 3.71Å; L19-V35 WeakPolarHBondContact CD1-O 3.34Å; L19-V35 HydrophobicContact CD2-CB 4.02Å; L19-V35 HydrophobicContact CD2-CG1 4.27Å; L19-V35 HydrophobicContact CG-CB 4.47Å; L19-Y115 HydrophobicContact CD2-CD2 4.41Å; L19-Y115 HydrophobicContact CD2-CE2 3.54Å |
| 20 | K | 41 | Very low | 36.7 | Very low | 124 Ų | 124 | 103.6 Ų | 103.6 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | trans | -50.5 | 118.1 | 167.9 | -169.9 | 175.7 | 179.3 | 177.2 | 0 | 107.1 | N197 | K20-N197 WeakPolarHBondContact CD-ND2 3.42Å; K20-N197 VanDerWaalsContact NZ-CG 3.32Å; K20-N197 PolarHBondContact NZ-OD1 3.24Å | ||
| 21 | T | 37.3 | Very low | 38.1 | Very low | 41 Ų | 41 | 101.4 Ų | 101.4 | 25% | 0.252 | 53% | 0.528 | S | S | . | . | trans | -55.1 | 143.2 | -169.3 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | L19 M23 | L19-T21 PolarHBondContact O-N 2.79Å; T21-M23 PolarHBondContact O-N 2.81Å | ||
| 22 | N | 38.2 | Very low | 39.9 | Very low | 29 Ų | 29 | 95.8 Ų | 95.8 | 16% | 0.155 | 50% | 0.499 | C | S | . | . | trans | -68.7 | 78 | 171.2 | -96.8 | -93.5 | 0 | 0 | 0 | 109.9 | V24 N31 M113 T114 | N22-V24 PolarHBondContact O-N 2.81Å; N22-V24 VanDerWaalsContact O-N 3.09Å; N22-N31 PolarHBondContact O-ND2 2.86Å; N22-M113 HydrophobicContact CB-CB 4.38Å; N22-M113 HydrophobicContact CB-CG 4.33Å; N22-M113 HydrophobicContact CB-SD 4.39Å; N22-M113 WeakPolarHBondContact ND2-CG 3.41Å; N22-M113 PolarHBondContact ND2-SD 2.76Å; N22-M113 WeakPolarHBondContact OD1-CA 3.08Å; N22-M113 WeakPolarHBondContact OD1-CG 3.37Å; N22-T114 PolarHBondContact ND2-O 2.88Å; N22-T114 PolarHBondContact OD1-N 2.9Å; N22-T114 PolarHBondContact OD1-O 2.83Å; N22-T114 VanDerWaalsContact OD1-O 3.06Å | ||
| 23 | M | 34 | Very low | 42.6 | Very low | 103 Ų | 103 | 92.7 Ų | 92.7 | 51% | 0.507 | 47% | 0.467 | S | S | . | . | trans | -67 | 105.4 | 169.4 | -72.5 | -162.4 | -76 | 0 | 0 | 108.8 | T21 | T21-M23 PolarHBondContact O-N 2.81Š| ||
| 24 | V | 32.2 | Very low | 45.3 | Very low | 95 Ų | 95 | 89.9 Ų | 89.9 | 58% | 0.576 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -93.4 | 94.7 | 158.9 | -177.7 | 0 | 0 | 0 | 0 | 106.2 | N22 | N22-V24 PolarHBondContact O-N 2.81Å; N22-V24 VanDerWaalsContact O-N 3.09Å |
| 25 | R | 32.9 | Very low | 47.6 | Very low | 212 Ų | 212 | 84 Ų | 84 | 80% | 0.8 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 72.3 | 165.1 | -173.4 | -55.8 | -179.4 | 179.2 | -171.3 | -0.8 | 114.8 | Y27 | R25-Y27 PolarHBondContact O-N 2.69Š|
| 26 | N | 38.2 | Very low | 49.9 | Very low | 151 Ų | 151 | 82.7 Ų | 82.7 | 81% | 0.807 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -57.4 | 21.2 | -167.2 | -70.1 | -9.8 | 0 | 0 | 0 | 118.1 | P28 | N26-P28 WeakPolarHBondContact O-CD 3.2Š|
| 27 | Y | 41.6 | Very low | 52.1 | Low | 169 Ų | 169 | 80.2 Ų | 80.2 | 66% | 0.663 | 40% | 0.399 | S | S | * | . | trans | -119.7 | 94.9 | -178.6 | -67.1 | -76.6 | 0 | 0 | 0 | 111.1 | R25 N29 T30 | R25-Y27 PolarHBondContact O-N 2.69Å; Y27-N29 PolarHBondContact O-N 2.92Å; Y27-T30 WeakPolarHBondContact CB-OG1 3.37Å; Y27-T30 PolarHBondContact O-N 2.86Å; Y27-T30 PolarHBondContact O-OG1 2.95Å | ||
| 28 | P | 47.7 | Very low | 54.3 | Low | 83 Ų | 83 | 79.5 Ų | 79.5 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.6 | -175.9 | 19.6 | -29.4 | 0 | 0 | 0 | 113.7 | N26 | N26-P28 WeakPolarHBondContact O-CD 3.2Š|
| 29 | N | 51.2 | Low | 56.2 | Low | 151 Ų | 151 | 80.7 Ų | 80.7 | 81% | 0.807 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 1.2 | -171.1 | -56.5 | 6.5 | 0 | 0 | 0 | 113.8 | Y27 | Y27-N29 PolarHBondContact O-N 2.92Š|
| 30 | T | 52.4 | Low | 58.1 | Low | 88 Ų | 88 | 83.4 Ų | 83.4 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -104.4 | -18.4 | -169.5 | 51.5 | 0 | 0 | 0 | 0 | 115.5 | Y27 | Y27-T30 WeakPolarHBondContact CB-OG1 3.37Å; Y27-T30 PolarHBondContact O-N 2.86Å; Y27-T30 PolarHBondContact O-OG1 2.95Å |
| 31 | N | 61.9 | Low | 60.1 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 19% | 0.193 | 42% | 0.417 | C | S | . | . | trans | -113.7 | 117.4 | -178 | -163 | 4.7 | 0 | 0 | 0 | 111 | N22 F33 | N22-N31 PolarHBondContact O-ND2 2.86Å; N31-F33 PolarHBondContact OD1-N 2.69Å | ||
| 32 | T | 77.1 | Confident | 62.5 | Low | 46 Ų | 46 | 79.1 Ų | 79.1 | 28% | 0.282 | 41% | 0.408 | S | S | . | . | trans | -106.5 | -0.3 | -179.8 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | R34 E46 W47 R48 | T32-R34 PolarHBondContact O-N 2.8Å; T32-E46 CarbonylContact O-C 3.55Å; T32-W47 WeakPolarHBondContact O-CA 3.32Å; T32-R48 HydrophobicContact CG2-CB 3.95Å; T32-R48 WeakPolarHBondContact OG1-CA 3.43Å; T32-R48 WeakPolarHBondContact OG1-CB 3.47Å; T32-R48 PolarHBondContact OG1-N 3.09Å | ||
| 33 | F | 88 | Confident | 64.7 | Low | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.009 | 40% | 0.4 | C | S | . | . | trans | -79.1 | 108.1 | 173.4 | -174.1 | -132.6 | 0 | 0 | 0 | 109.9 | N31 F45 E46 W47 L60 A96 Y111 M113 | N31-F33 PolarHBondContact OD1-N 2.69Å; F33-F45 HydrophobicContact CE2-CB 3.91Å; F33-F45 AromaticContact CE2-CD1 3.71Å; F33-F45 HydrophobicContact CE2-CD1 3.71Å; F33-F45 HydrophobicContact CE2-CG 4.14Å; F33-F45 AromaticContact CZ-CD1 3.8Å; F33-F45 HydrophobicContact CZ-CD1 3.8Å; F33-F45 HydrophobicContact CZ-CE1 4.35Å; F33-E46 VanDerWaalsContact CA-O 3.26Å; F33-E46 WeakPolarHBondContact CA-O 3.27Å; F33-E46 WeakPolarHBondContact CD2-O 3.34Å; F33-W47 HydrophobicContact CB-CB 4.44Å; F33-W47 HydrophobicContact CD2-CB 4.04Å; F33-L60 HydrophobicContact CE2-CD2 3.9Å; F33-L60 HydrophobicContact CZ-CD2 4.31Å; F33-A96 HydrophobicContact CD2-CB 3.86Å; F33-A96 HydrophobicContact CE1-CB 4.44Å; F33-A96 HydrophobicContact CE2-CB 3.62Å; F33-A96 HydrophobicContact CG-CB 4.39Å; F33-A96 HydrophobicContact CZ-CB 3.94Å; F33-Y111 VanDerWaalsContact CB-CB 3.5Å; F33-Y111 HydrophobicContact CB-CD2 4.48Å; F33-Y111 HydrophobicContact CB-CG 4Å; F33-M113 HydrophobicContact CD1-CB 3.57Å; F33-M113 HydrophobicContact CE1-CB 3.6Å; F33-M113 HydrophobicContact CE1-CE 4.29Å; F33-M113 HydrophobicContact CZ-CE 4.29Å | ||
| 34 | R | 84.3 | Confident | 67.2 | Low | 93 Ų | 93 | 73.2 Ų | 73.2 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 152.6 | -175 | 59.8 | -176.6 | 174.7 | -175.4 | 0.5 | 110.9 | T32 I36 F45 E46 | T32-R34 PolarHBondContact O-N 2.8Å; R34-I36 HydrophobicContact CG-CG2 4.13Å; R34-F45 CarbonylContact O-C 3.55Å; R34-F45 VanDerWaalsContact O-CA 3.31Å; R34-F45 WeakPolarHBondContact O-CA 3.33Å; R34-E46 HydrophobicContact CG-CB 4.39Å; R34-E46 IonicContact CZ-OE2 3.25Å; R34-E46 PolarHBondContact N-O 2.77Å; R34-E46 IonicContact NE-OE2 3.43Å; R34-E46 PolarHBondContact NE-OE2 2.92Å; R34-E46 IonicContact NH2-OE2 2.66Å; R34-E46 PolarHBondContact NH2-OE2 3.31Å; R34-E46 PolarHBondContact O-N 2.99Å |
| 35 | V | 80.5 | Confident | 69.9 | Low | 4 Ų | 4 | 68.7 Ų | 68.7 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 140.3 | 159.3 | -177 | 0 | 0 | 0 | 0 | 106.8 | L19 M43 A44 F45 M113 Y115 | L19-V35 VanDerWaalsContact CD1-C 3.43Å; L19-V35 HydrophobicContact CD1-CB 3.76Å; L19-V35 HydrophobicContact CD1-CG1 3.71Å; L19-V35 WeakPolarHBondContact CD1-O 3.34Å; L19-V35 HydrophobicContact CD2-CB 4.02Å; L19-V35 HydrophobicContact CD2-CG1 4.27Å; L19-V35 HydrophobicContact CG-CB 4.47Å; V35-M43 HydrophobicContact CG1-SD 4.23Å; V35-M43 HydrophobicContact CG2-SD 4.13Å; V35-A44 WeakPolarHBondContact CA-O 3.41Å; V35-F45 HydrophobicContact CG2-CD1 4.23Å; V35-F45 HydrophobicContact CG2-CE1 3.92Å; V35-F45 HydrophobicContact CG2-CZ 4.5Å; V35-M113 HydrophobicContact CB-CE 4.47Å; V35-M113 HydrophobicContact CG2-CE 3.38Å; V35-M113 HydrophobicContact CG2-SD 4.06Å; V35-Y115 HydrophobicContact CG2-CD2 4.16Å; V35-Y115 HydrophobicContact CG2-CE2 4.39Å; V35-Y115 HydrophobicContact CG2-CG 4.32Å |
| 36 | I | 79.9 | Confident | 72.6 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -20.7 | 171.4 | 58.4 | 170 | 0 | 0 | 0 | 111.8 | R34 A44 E46 I79 | R34-I36 HydrophobicContact CG-CG2 4.13Å; I36-A44 HydrophobicContact CD1-CB 4.2Å; I36-A44 HydrophobicContact CG1-CB 3.77Å; I36-A44 WeakPolarHBondContact CG1-O 3.47Å; I36-A44 PolarHBondContact N-O 2.78Å; I36-E46 HydrophobicContact CD1-CB 4.45Å; I36-E46 HydrophobicContact CG2-CB 3.46Å; I36-E46 VanDerWaalsContact CG2-CB 3.46Å; I36-I79 HydrophobicContact CD1-CD1 4.2Å; I36-I79 HydrophobicContact CD1-CG1 4.34Å; I36-I79 HydrophobicContact CD1-CG2 3.86Å |
| 37 | Q | 77.3 | Confident | 75.1 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 138.6 | -179.8 | -167.2 | -179.2 | 15.6 | 0 | 0 | 110.4 | Q39 A44 | Q37-Q39 HydrophobicContact CG-CG 4.4Å; Q37-A44 HydrophobicContact CB-CB 3.89Å; Q37-A44 PolarHBondContact N-O 3.02Å; Q37-A44 PolarHBondContact O-N 2.81Å |
| 38 | E | 76 | Confident | 77.3 | Confident | 20 Ų | 20 | 53.3 Ų | 53.3 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.5 | 167.5 | -161 | -175.5 | 118.1 | 0 | 0 | 108.9 | M43 I85 Y115 R117 R120 L201 | E38-M43 HydrophobicContact CG-CG 3.99Å; E38-M43 HydrophobicContact CG-SD 4.32Å; E38-I85 HydrophobicContact CG-CD1 3.56Å; E38-Y115 PolarHBondContact OE2-OH 3.36Å; E38-R117 WeakPolarHBondContact OE1-CD 3.36Å; E38-R120 IonicContact OE1-CZ 3.94Å; E38-R120 VanDerWaalsContact OE1-CZ 3.29Å; E38-R120 IonicContact OE1-NE 3.66Å; E38-R120 PolarHBondContact OE1-NE 3.22Å; E38-R120 IonicContact OE1-NH2 3.51Å; E38-R120 PolarHBondContact OE1-NH2 3.4Å; E38-L201 HydrophobicContact CB-CD1 3.4Å; E38-L201 VanDerWaalsContact CB-CD1 3.4Å |
| 39 | Q | 73.9 | Confident | 79.2 | Confident | 76 Ų | 76 | 56 Ų | 56 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | trans | -115.6 | 169.8 | 174.4 | -55.7 | -177.4 | 18.9 | 0 | 0 | 109.3 | Q37 A41 A42 R120 | Q37-Q39 HydrophobicContact CG-CG 4.4Å; Q39-A41 VanDerWaalsContact C-N 3.26Å; Q39-A41 PolarHBondContact O-N 3.47Å; Q39-A41 VanDerWaalsContact O-N 3.15Å; Q39-A42 CarbonylContact C-O 3.59Å; Q39-A42 WeakPolarHBondContact CA-O 3.42Å; Q39-A42 HydrophobicContact CB-CB 4.35Å; Q39-A42 WeakPolarHBondContact CB-O 3.41Å; Q39-A42 PolarHBondContact N-O 2.84Å; Q39-A42 PolarHBondContact O-N 3.02Å; Q39-R120 PolarHBondContact O-NH2 2.94Å | ||
| 40 | T | 75.1 | Confident | 81.1 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 56% | 0.564 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -50.7 | -45.1 | -176.4 | -49.9 | 0 | 0 | 0 | 0 | 112.8 | R120 T203 | T40-R120 PolarHBondContact O-NH1 2.68Å; T40-T203 HydrophobicContact CG2-CG2 4.45Å; T40-T203 WeakPolarHBondContact OG1-CG2 2.83Å |
| 41 | A | 83.6 | Confident | 82.8 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -125.2 | 11.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q39 E83 | Q39-A41 VanDerWaalsContact C-N 3.26Å; Q39-A41 PolarHBondContact O-N 3.47Å; Q39-A41 VanDerWaalsContact O-N 3.15Å; A41-E83 CarbonylContact O-C 3.53Å; A41-E83 WeakPolarHBondContact O-CA 3.49Å |
| 42 | A | 86.1 | Confident | 84.3 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | trans | -149.4 | 155.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q39 L81 L82 | Q39-A42 CarbonylContact C-O 3.59Å; Q39-A42 WeakPolarHBondContact CA-O 3.42Å; Q39-A42 HydrophobicContact CB-CB 4.35Å; Q39-A42 WeakPolarHBondContact CB-O 3.41Å; Q39-A42 PolarHBondContact N-O 2.84Å; Q39-A42 PolarHBondContact O-N 3.02Å; A42-L81 HydrophobicContact CB-CD1 3.68Å; A42-L81 HydrophobicContact CB-CD2 4.2Å; A42-L81 HydrophobicContact CB-CG 3.91Å; A42-L82 CarbonylContact C-O 3.5Å; A42-L82 VanDerWaalsContact CA-O 3.29Å; A42-L82 WeakPolarHBondContact CA-O 3.48Å | ||
| 43 | M | 85.6 | Confident | 85.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.9 | 169.3 | -76.3 | -165.3 | -66 | 0 | 0 | 110.6 | V35 E38 F45 L82 I85 Y94 Y115 | V35-M43 HydrophobicContact CG1-SD 4.23Å; V35-M43 HydrophobicContact CG2-SD 4.13Å; E38-M43 HydrophobicContact CG-CG 3.99Å; E38-M43 HydrophobicContact CG-SD 4.32Å; M43-F45 HydrophobicContact CB-CD2 4.32Å; M43-F45 HydrophobicContact CB-CE2 3.45Å; M43-F45 VanDerWaalsContact CB-CE2 3.45Å; M43-F45 HydrophobicContact CB-CZ 3.72Å; M43-F45 HydrophobicContact CE-CZ 3.95Å; M43-F45 VanDerWaalsContact O-CD2 3.27Å; M43-F45 WeakPolarHBondContact O-CD2 3.37Å; M43-F45 WeakPolarHBondContact O-CE2 3.41Å; M43-L82 PolarHBondContact N-O 3.04Å; M43-L82 PolarHBondContact O-N 3.39Å; M43-I85 HydrophobicContact CE-CB 4.49Å; M43-I85 HydrophobicContact CE-CG1 3.94Å; M43-I85 HydrophobicContact CG-CD1 4.11Å; M43-I85 HydrophobicContact CG-CG1 4.1Å; M43-I85 HydrophobicContact SD-CD1 4.33Å; M43-I85 HydrophobicContact SD-CG1 4.06Å; M43-Y94 HydrophobicContact CE-CD2 4.44Å; M43-Y94 HydrophobicContact CE-CE1 3.71Å; M43-Y94 HydrophobicContact CE-CE2 3.49Å; M43-Y94 VanDerWaalsContact CE-CE2 3.49Å; M43-Y94 WeakPolarHBondContact CE-OH 3.32Å; M43-Y115 HydrophobicContact CE-CD1 4.11Å; M43-Y115 HydrophobicContact CE-CE1 4.36Å; M43-Y115 HydrophobicContact SD-CD1 3.9Å; M43-Y115 HydrophobicContact SD-CE1 3.61Å |
| 44 | A | 86.8 | Confident | 85.3 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V35 I36 Q37 G80 L81 | V35-A44 WeakPolarHBondContact CA-O 3.41Å; I36-A44 HydrophobicContact CD1-CB 4.2Å; I36-A44 HydrophobicContact CG1-CB 3.77Å; I36-A44 WeakPolarHBondContact CG1-O 3.47Å; I36-A44 PolarHBondContact N-O 2.78Å; Q37-A44 HydrophobicContact CB-CB 3.89Å; Q37-A44 PolarHBondContact N-O 3.02Å; Q37-A44 PolarHBondContact O-N 2.81Å; A44-G80 WeakPolarHBondContact CA-O 3.45Å; A44-L81 HydrophobicContact CB-CD1 4.15Å |
| 45 | F | 88.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.1 | -178.3 | -59.8 | -102.9 | 0 | 0 | 0 | 109.3 | F33 R34 V35 M43 W47 L60 I79 G80 L82 Y94 M113 | F33-F45 HydrophobicContact CE2-CB 3.91Å; F33-F45 AromaticContact CE2-CD1 3.71Å; F33-F45 HydrophobicContact CE2-CD1 3.71Å; F33-F45 HydrophobicContact CE2-CG 4.14Å; F33-F45 AromaticContact CZ-CD1 3.8Å; F33-F45 HydrophobicContact CZ-CD1 3.8Å; F33-F45 HydrophobicContact CZ-CE1 4.35Å; R34-F45 CarbonylContact O-C 3.55Å; R34-F45 VanDerWaalsContact O-CA 3.31Å; R34-F45 WeakPolarHBondContact O-CA 3.33Å; V35-F45 HydrophobicContact CG2-CD1 4.23Å; V35-F45 HydrophobicContact CG2-CE1 3.92Å; V35-F45 HydrophobicContact CG2-CZ 4.5Å; M43-F45 HydrophobicContact CB-CD2 4.32Å; M43-F45 HydrophobicContact CB-CE2 3.45Å; M43-F45 VanDerWaalsContact CB-CE2 3.45Å; M43-F45 HydrophobicContact CB-CZ 3.72Å; M43-F45 HydrophobicContact CE-CZ 3.95Å; M43-F45 VanDerWaalsContact O-CD2 3.27Å; M43-F45 WeakPolarHBondContact O-CD2 3.37Å; M43-F45 WeakPolarHBondContact O-CE2 3.41Å; F45-W47 HydrophobicContact CB-CE3 4.37Å; F45-W47 HydrophobicContact CB-CZ3 4.26Å; F45-L60 HydrophobicContact CB-CD1 4.24Å; F45-L60 HydrophobicContact CB-CD2 4.08Å; F45-L60 HydrophobicContact CD2-CD1 4.05Å; F45-L60 HydrophobicContact CG-CD1 4.42Å; F45-L60 HydrophobicContact CG-CD2 4.32Å; F45-I79 CarbonylContact O-C 3.47Å; F45-I79 WeakPolarHBondContact O-CA 3.44Å; F45-G80 PolarHBondContact N-O 3.43Å; F45-G80 PolarHBondContact O-N 2.68Å; F45-L82 HydrophobicContact CD2-CB 4.33Å; F45-L82 HydrophobicContact CE2-CB 3.77Å; F45-L82 HydrophobicContact CE2-CD2 4.36Å; F45-Y94 AromaticContact CE1-CD1 3.71Å; F45-Y94 HydrophobicContact CE1-CD1 3.71Å; F45-Y94 HydrophobicContact CE1-CD2 4.11Å; F45-Y94 HydrophobicContact CE1-CE1 4.37Å; F45-Y94 AromaticContact CE1-CG 3.58Å; F45-Y94 HydrophobicContact CE1-CG 3.58Å; F45-Y94 HydrophobicContact CE2-CD1 4.49Å; F45-Y94 AromaticContact CZ-CD1 3.43Å; F45-Y94 HydrophobicContact CZ-CD1 3.43Å; F45-Y94 VanDerWaalsContact CZ-CD1 3.43Å; F45-Y94 HydrophobicContact CZ-CD2 4.35Å; F45-Y94 AromaticContact CZ-CE1 3.73Å; F45-Y94 HydrophobicContact CZ-CE1 3.73Å; F45-Y94 AromaticContact CZ-CG 3.8Å; F45-Y94 HydrophobicContact CZ-CG 3.8Å; F45-M113 HydrophobicContact CD1-CE 3.35Å; F45-M113 HydrophobicContact CE1-CE 3.19Å; F45-M113 HydrophobicContact CZ-CE 4.47Å |
| 46 | E | 89.5 | Confident | 86.4 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 148.5 | 165.2 | 179.1 | -177.6 | -137.8 | 0 | 0 | 108.7 | T32 F33 R34 I36 N78 I79 | T32-E46 CarbonylContact O-C 3.55Å; F33-E46 VanDerWaalsContact CA-O 3.26Å; F33-E46 WeakPolarHBondContact CA-O 3.27Å; F33-E46 WeakPolarHBondContact CD2-O 3.34Å; R34-E46 HydrophobicContact CG-CB 4.39Å; R34-E46 IonicContact CZ-OE2 3.25Å; R34-E46 PolarHBondContact N-O 2.77Å; R34-E46 IonicContact NE-OE2 3.43Å; R34-E46 PolarHBondContact NE-OE2 2.92Å; R34-E46 IonicContact NH2-OE2 2.66Å; R34-E46 PolarHBondContact NH2-OE2 3.31Å; R34-E46 PolarHBondContact O-N 2.99Å; I36-E46 HydrophobicContact CD1-CB 4.45Å; I36-E46 HydrophobicContact CG2-CB 3.46Å; I36-E46 VanDerWaalsContact CG2-CB 3.46Å; E46-N78 CarbonylContact C-O 3.58Å; E46-N78 WeakPolarHBondContact CA-O 3.41Å; E46-I79 HydrophobicContact CB-CG1 4.32Å; E46-I79 HydrophobicContact CG-CG1 4.33Å |
| 47 | W | 90.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | trans | -138.9 | 173.5 | 168.2 | 55 | 95.5 | 0 | 0 | 0 | 111 | T32 F33 F45 V58 L60 V74 N78 G80 A96 Y111 | T32-W47 WeakPolarHBondContact O-CA 3.32Å; F33-W47 HydrophobicContact CB-CB 4.44Å; F33-W47 HydrophobicContact CD2-CB 4.04Å; F45-W47 HydrophobicContact CB-CE3 4.37Å; F45-W47 HydrophobicContact CB-CZ3 4.26Å; W47-V58 HydrophobicContact CZ2-CB 3.96Å; W47-V58 HydrophobicContact CZ2-CG1 3.93Å; W47-V58 HydrophobicContact CZ2-CG2 4.17Å; W47-L60 HydrophobicContact CE3-CD2 3.94Å; W47-L60 HydrophobicContact CH2-CD1 4.18Å; W47-L60 HydrophobicContact CH2-CD2 4.22Å; W47-L60 HydrophobicContact CH2-CG 4.21Å; W47-L60 HydrophobicContact CZ3-CD1 3.86Å; W47-L60 HydrophobicContact CZ3-CD2 3.59Å; W47-L60 HydrophobicContact CZ3-CG 3.97Å; W47-V74 HydrophobicContact CH2-CB 4.15Å; W47-V74 HydrophobicContact CH2-CG1 4Å; W47-V74 HydrophobicContact CH2-CG2 4.04Å; W47-V74 HydrophobicContact CZ2-CB 4.27Å; W47-V74 HydrophobicContact CZ2-CG1 4.05Å; W47-N78 PolarHBondContact N-O 2.99Å; W47-N78 WeakPolarHBondContact O-CB 3.38Å; W47-N78 PolarHBondContact O-ND2 2.82Å; W47-G80 VanDerWaalsContact CZ3-N 3.32Å; W47-A96 HydrophobicContact CD2-CB 4.44Å; W47-A96 HydrophobicContact CG-CB 4.46Å; W47-Y111 HydrophobicContact CB-CD2 4.04Å; W47-Y111 HydrophobicContact CB-CE2 4.23Å | ||
| 48 | R | 88 | Confident | 88.1 | Confident | 162 Ų | 162 | 55.5 Ų | 55.5 | 61% | 0.611 | 29% | 0.285 | S | S | * | . | trans | -81.1 | 132.9 | 171.1 | 167.5 | 175.6 | -163.9 | 177 | 4.4 | 107.3 | T32 M50 | T32-R48 HydrophobicContact CG2-CB 3.95Å; T32-R48 WeakPolarHBondContact OG1-CA 3.43Å; T32-R48 WeakPolarHBondContact OG1-CB 3.47Å; T32-R48 PolarHBondContact OG1-N 3.09Å; R48-M50 PolarHBondContact O-N 3.06Å; R48-M50 VanDerWaalsContact O-N 3.13Å | ||
| 49 | Q | 88 | Confident | 89 | Confident | 141 Ų | 141 | 57.2 Ų | 57.2 | 66% | 0.659 | 29% | 0.291 | S | S | * | . | trans | -44.2 | 121.6 | 178.9 | -173.5 | 176.2 | -3.8 | 0 | 0 | 111.1 | T51 | Q49-T51 HydrophobicContact CG-CG2 4.29Š| ||
| 50 | M | 89.9 | Confident | 90 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | trans | -85.4 | 123.5 | 176.8 | -65.5 | -176.3 | -173.7 | 0 | 0 | 108 | R48 F55 V58 A96 G98 F108 Q109 Y111 | R48-M50 PolarHBondContact O-N 3.06Å; R48-M50 VanDerWaalsContact O-N 3.13Å; M50-F55 HydrophobicContact CB-CE2 4.44Å; M50-V58 HydrophobicContact CE-CG1 4.07Å; M50-V58 HydrophobicContact CE-CG2 4.45Å; M50-V58 HydrophobicContact SD-CG1 4.28Å; M50-V58 HydrophobicContact SD-CG2 3.69Å; M50-A96 HydrophobicContact CE-CB 3.79Å; M50-A96 WeakPolarHBondContact CE-O 3.32Å; M50-G98 WeakPolarHBondContact SD-CA 3.42Å; M50-G98 PolarHBondContact SD-N 2.91Å; M50-G98 VanDerWaalsContact SD-N 3.37Å; M50-F108 HydrophobicContact CB-CE2 3.9Å; M50-F108 HydrophobicContact CB-CZ 4Å; M50-Q109 HydrophobicContact CG-CG 4.41Å; M50-Q109 HydrophobicContact SD-CB 4.31Å; M50-Y111 HydrophobicContact CE-CD2 3.32Å; M50-Y111 HydrophobicContact CE-CE2 3.54Å; M50-Y111 HydrophobicContact CE-CG 4.47Å; M50-Y111 HydrophobicContact CG-CE2 3.98Å | ||
| 51 | T | 89.6 | Confident | 90.8 | Very high | 108 Ų | 108 | 49.4 Ų | 49.4 | 66% | 0.663 | 25% | 0.248 | S | C | * | . | trans | -114.2 | 122 | -175 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | Q49 | Q49-T51 HydrophobicContact CG-CG2 4.29Š| ||
| 52 | H | 92 | Very high | 91.2 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | trans | -150.6 | 142.3 | 175.3 | -169.7 | -96.2 | 0 | 0 | 0 | 109.8 | S54 F55 T100 F108 | H52-S54 PolarHBondContact ND1-N 2.77Å; H52-S54 VanDerWaalsContact ND1-N 3.19Å; H52-S54 PolarHBondContact O-N 3.05Å; H52-S54 VanDerWaalsContact O-N 3.07Å; H52-F55 HydrophobicContact CB-CB 4.45Å; H52-F55 WeakPolarHBondContact O-CB 3.46Å; H52-F55 PolarHBondContact O-N 2.9Å; H52-T100 VanDerWaalsContact CE1-CG2 3.45Å; H52-T100 WeakPolarHBondContact CE1-CG2 3.04Å; H52-F108 HydrophobicContact CB-CD1 3.97Å; H52-F108 HydrophobicContact CB-CD2 3.8Å; H52-F108 HydrophobicContact CB-CE1 3.86Å; H52-F108 HydrophobicContact CB-CE2 3.72Å; H52-F108 HydrophobicContact CB-CG 3.96Å; H52-F108 HydrophobicContact CB-CZ 3.78Å; H52-F108 AromaticContact CD2-CG 3.91Å; H52-F108 AromaticContact CG-CD1 3.98Å; H52-F108 AromaticContact CG-CG 3.9Å | ||
| 53 | K | 93.7 | Very high | 91.2 | Very high | 200 Ų | 200 | 49.4 Ų | 49.4 | 87% | 0.87 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26 | -177.8 | 63.8 | 176.4 | -179.6 | 179.7 | 0 | 114.2 | ||
| 54 | S | 93.4 | Very high | 91 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 39.1 | 178.7 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | H52 G56 T100 N101 | H52-S54 PolarHBondContact ND1-N 2.77Å; H52-S54 VanDerWaalsContact ND1-N 3.19Å; H52-S54 PolarHBondContact O-N 3.05Å; H52-S54 VanDerWaalsContact O-N 3.07Å; S54-G56 PolarHBondContact O-N 3.09Å; S54-T100 CarbonylContact O-C 3.37Å; S54-T100 WeakPolarHBondContact O-CA 3.05Å; S54-T100 WeakPolarHBondContact O-CB 3.36Å; S54-N101 PolarHBondContact O-N 3.32Å |
| 55 | F | 94 | Very high | 90.1 | Very high | 66 Ų | 66 | 59.2 Ų | 59.2 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 136.5 | 175.4 | 175.6 | -89.8 | 0 | 0 | 0 | 110.5 | M50 H52 V58 Y75 F108 | M50-F55 HydrophobicContact CB-CE2 4.44Å; H52-F55 HydrophobicContact CB-CB 4.45Å; H52-F55 WeakPolarHBondContact O-CB 3.46Å; H52-F55 PolarHBondContact O-N 2.9Å; F55-V58 HydrophobicContact CE2-CG2 3.91Å; F55-V58 HydrophobicContact CZ-CG2 4.09Å; F55-Y75 VanDerWaalsContact CE1-O 3.31Å; F55-Y75 WeakPolarHBondContact CE1-O 3.35Å; F55-F108 HydrophobicContact CD2-CE1 4.18Å; F55-F108 AromaticContact CD2-CZ 3.76Å; F55-F108 HydrophobicContact CD2-CZ 3.76Å; F55-F108 HydrophobicContact CE2-CZ 4.31Å |
| 56 | G | 94.2 | Very high | 89 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 12% | 0.124 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | -57.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | S54 Y99 | S54-G56 PolarHBondContact O-N 3.09Å; G56-Y99 WeakPolarHBondContact CA-O 3.35Å; G56-Y99 PolarHBondContact N-O 2.9Å |
| 57 | Y | 95.6 | Very high | 87.9 | Confident | 25 Ų | 25 | 76.1 Ų | 76.1 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 168.9 | -179 | 52.9 | -91.8 | 0 | 0 | 0 | 110.5 | Y59 K73 V74 Y75 Y99 | Y57-Y59 HydrophobicContact CD2-CD2 4.1Å; Y57-Y59 HydrophobicContact CD2-CE2 4.3Å; Y57-Y59 HydrophobicContact CD2-CG 4.45Å; Y57-Y59 AromaticContact CE2-CD2 3.44Å; Y57-Y59 HydrophobicContact CE2-CD2 3.44Å; Y57-Y59 VanDerWaalsContact CE2-CD2 3.44Å; Y57-Y59 AromaticContact CE2-CE2 3.39Å; Y57-Y59 HydrophobicContact CE2-CE2 3.39Å; Y57-Y59 HydrophobicContact CE2-CG 4.21Å; Y57-K73 HydrophobicContact CD1-CD 4.47Å; Y57-K73 HydrophobicContact CD2-CB 4.47Å; Y57-K73 HydrophobicContact CD2-CD 4.1Å; Y57-K73 HydrophobicContact CD2-CG 4Å; Y57-K73 HydrophobicContact CE2-CD 4.17Å; Y57-K73 HydrophobicContact CE2-CG 4.28Å; Y57-K73 HydrophobicContact CG-CD 4.27Å; Y57-K73 HydrophobicContact CG-CG 4.46Å; Y57-V74 CarbonylContact C-O 3.56Å; Y57-V74 WeakPolarHBondContact CA-O 3.45Å; Y57-V74 WeakPolarHBondContact CB-O 3.49Å; Y57-Y75 HydrophobicContact CD1-CE1 4.32Å; Y57-Y99 HydrophobicContact CD2-CD2 4.39Å; Y57-Y99 AromaticContact CE2-CD2 3.84Å; Y57-Y99 HydrophobicContact CE2-CD2 3.84Å; Y57-Y99 AromaticContact CE2-CG 3.78Å; Y57-Y99 HydrophobicContact CE2-CG 3.78Å; Y57-Y99 PolarHBondContact N-O 2.04Å; Y57-Y99 PolarHBondContact O-N 2.85Å |
| 58 | V | 95.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.3 | 166.8 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | W47 M50 F55 V74 A96 E97 | W47-V58 HydrophobicContact CZ2-CB 3.96Å; W47-V58 HydrophobicContact CZ2-CG1 3.93Å; W47-V58 HydrophobicContact CZ2-CG2 4.17Å; M50-V58 HydrophobicContact CE-CG1 4.07Å; M50-V58 HydrophobicContact CE-CG2 4.45Å; M50-V58 HydrophobicContact SD-CG1 4.28Å; M50-V58 HydrophobicContact SD-CG2 3.69Å; F55-V58 HydrophobicContact CE2-CG2 3.91Å; F55-V58 HydrophobicContact CZ-CG2 4.09Å; V58-V74 PolarHBondContact N-O 3.26Å; V58-V74 PolarHBondContact O-N 3.01Å; V58-A96 HydrophobicContact CG1-CB 4.05Å; V58-E97 CarbonylContact C-O 3.57Å; V58-E97 VanDerWaalsContact CA-O 3.29Å; V58-E97 WeakPolarHBondContact CA-O 3.41Å |
| 59 | Y | 95.5 | Very high | 87 | Confident | 56 Ų | 56 | 74 Ų | 74 | 22% | 0.22 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 121.6 | 163.4 | -92.7 | -59.8 | 0 | 0 | 0 | 109.3 | Y57 V72 K73 A96 E97 Y99 | Y57-Y59 HydrophobicContact CD2-CD2 4.1Å; Y57-Y59 HydrophobicContact CD2-CE2 4.3Å; Y57-Y59 HydrophobicContact CD2-CG 4.45Å; Y57-Y59 AromaticContact CE2-CD2 3.44Å; Y57-Y59 HydrophobicContact CE2-CD2 3.44Å; Y57-Y59 VanDerWaalsContact CE2-CD2 3.44Å; Y57-Y59 AromaticContact CE2-CE2 3.39Å; Y57-Y59 HydrophobicContact CE2-CE2 3.39Å; Y57-Y59 HydrophobicContact CE2-CG 4.21Å; Y59-V72 WeakPolarHBondContact CA-O 3.43Å; Y59-V72 WeakPolarHBondContact CD1-O 3.3Å; Y59-K73 HydrophobicContact CD1-CG 3.74Å; Y59-K73 HydrophobicContact CE1-CB 4.48Å; Y59-K73 HydrophobicContact CE1-CD 4.17Å; Y59-K73 HydrophobicContact CE1-CG 3.28Å; Y59-K73 HydrophobicContact CE2-CG 4.36Å; Y59-K73 HydrophobicContact CG-CG 4.47Å; Y59-K73 WeakPolarHBondContact OH-CE 3.2Å; Y59-A96 CarbonylContact O-C 3.6Å; Y59-A96 WeakPolarHBondContact O-CA 3.34Å; Y59-E97 PolarHBondContact N-O 2.91Å; Y59-E97 PolarHBondContact O-N 2.81Å; Y59-Y99 AromaticContact CD2-CD2 3.74Å; Y59-Y99 HydrophobicContact CD2-CD2 3.74Å; Y59-Y99 AromaticContact CD2-CE2 3.58Å; Y59-Y99 HydrophobicContact CD2-CE2 3.58Å; Y59-Y99 HydrophobicContact CG-CE2 4.37Å |
| 60 | L | 94.2 | Very high | 87 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 131.9 | 157.8 | -69 | 175.9 | 0 | 0 | 0 | 108 | F33 F45 W47 T71 V72 V74 R95 A96 | F33-L60 HydrophobicContact CE2-CD2 3.9Å; F33-L60 HydrophobicContact CZ-CD2 4.31Å; F45-L60 HydrophobicContact CB-CD1 4.24Å; F45-L60 HydrophobicContact CB-CD2 4.08Å; F45-L60 HydrophobicContact CD2-CD1 4.05Å; F45-L60 HydrophobicContact CG-CD1 4.42Å; F45-L60 HydrophobicContact CG-CD2 4.32Å; W47-L60 HydrophobicContact CE3-CD2 3.94Å; W47-L60 HydrophobicContact CH2-CD1 4.18Å; W47-L60 HydrophobicContact CH2-CD2 4.22Å; W47-L60 HydrophobicContact CH2-CG 4.21Å; W47-L60 HydrophobicContact CZ3-CD1 3.86Å; W47-L60 HydrophobicContact CZ3-CD2 3.59Å; W47-L60 HydrophobicContact CZ3-CG 3.97Å; L60-T71 CarbonylContact O-C 3.59Å; L60-T71 WeakPolarHBondContact O-CA 3.23Å; L60-V72 HydrophobicContact CB-CG1 3.67Å; L60-V72 HydrophobicContact CD1-CG1 4.13Å; L60-V72 HydrophobicContact CG-CG1 4.35Å; L60-V72 PolarHBondContact N-O 2.77Å; L60-V72 PolarHBondContact O-N 2.98Å; L60-V74 HydrophobicContact CD1-CG2 4.23Å; L60-V74 HydrophobicContact CG-CG2 4.41Å; L60-R95 CarbonylContact C-O 3.58Å; L60-R95 WeakPolarHBondContact CA-O 3.28Å; L60-A96 HydrophobicContact CD2-CB 3.95Å |
| 61 | V | 93.4 | Very high | 87.1 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.2 | -172.8 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | D69 N70 T71 Y94 R95 | V61-D69 HydrophobicContact CG1-CB 3.64Å; V61-D69 VanDerWaalsContact CG1-CG 3.44Å; V61-N70 WeakPolarHBondContact CA-O 3.28Å; V61-T71 HydrophobicContact CB-CG2 4.27Å; V61-T71 HydrophobicContact CG1-CG2 4.01Å; V61-T71 HydrophobicContact CG2-CG2 3.86Å; V61-Y94 CarbonylContact O-C 3.59Å; V61-Y94 VanDerWaalsContact O-CA 3.25Å; V61-Y94 WeakPolarHBondContact O-CA 3.42Å; V61-R95 HydrophobicContact CB-CB 4.16Å; V61-R95 PolarHBondContact N-O 2.85Å; V61-R95 PolarHBondContact O-N 2.82Å |
| 62 | H | 91.9 | Very high | 87.3 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 7% | 0.069 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 114 | 161.5 | 176.6 | -156.4 | 0 | 0 | 0 | 107.6 | V64 N70 L82 A84 Y94 | H62-V64 PolarHBondContact O-N 2.67Å; H62-V64 VanDerWaalsContact O-N 3.16Å; H62-N70 HydrophobicContact CB-CB 4.14Å; H62-N70 PolarHBondContact N-O 3.47Å; H62-N70 PolarHBondContact O-N 3.39Å; H62-L82 HydrophobicContact CB-CD2 3.6Å; H62-A84 HydrophobicContact CB-CB 4.21Å; H62-Y94 HydrophobicContact CB-CD1 4Å; H62-Y94 HydrophobicContact CB-CE1 3.58Å; H62-Y94 AromaticContact CD2-CE1 3.59Å; H62-Y94 AromaticContact CD2-CZ 3.68Å; H62-Y94 AromaticContact CG-CE1 3.64Å |
| 63 | D | 86.1 | Confident | 87.4 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 99 | 179.8 | -173.1 | -6.7 | 0 | 0 | 0 | 109.1 | K93 | D63-K93 HydrophobicContact CB-CB 4Å; D63-K93 WeakPolarHBondContact CB-O 3.1Å; D63-K93 PolarHBondContact N-O 2.82Å |
| 64 | V | 79.9 | Confident | 87.4 | Confident | 36 Ų | 36 | 63 Ų | 63 | 22% | 0.218 | 31% | 0.312 | C | S | . | . | trans | -97.3 | 111.1 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 108.7 | H62 F66 W67 N70 | H62-V64 PolarHBondContact O-N 2.67Å; H62-V64 VanDerWaalsContact O-N 3.16Å; V64-F66 PolarHBondContact O-N 3.23Å; V64-W67 HydrophobicContact CG1-CB 3.9Å; V64-W67 HydrophobicContact CG1-CG 4.42Å; V64-W67 PolarHBondContact O-N 3.3Å; V64-N70 WeakPolarHBondContact CG2-ND2 3.26Å | ||
| 65 | Y | 69.6 | Low | 87.3 | Confident | 177 Ų | 177 | 67.4 Ų | 67.4 | 69% | 0.694 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 130.1 | 178.7 | -163.6 | -120.4 | 0 | 0 | 0 | 110.4 | W67 | Y65-W67 VanDerWaalsContact C-N 3.27Å; Y65-W67 PolarHBondContact O-N 3.15Å; Y65-W67 VanDerWaalsContact O-N 3.14Å |
| 66 | F | 64.7 | Low | 87 | Confident | 172 Ų | 172 | 72.4 Ų | 72.4 | 75% | 0.754 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | -18.7 | -177.3 | -63.3 | -66.9 | 0 | 0 | 0 | 119.4 | V64 | V64-F66 PolarHBondContact O-N 3.23Š|
| 67 | W | 66.2 | Low | 86.6 | Confident | 228 Ų | 228 | 74.4 Ų | 74.4 | 86% | 0.864 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 4.4 | -170.8 | -62.6 | 93.1 | 0 | 0 | 0 | 114.9 | V64 Y65 | V64-W67 HydrophobicContact CG1-CB 3.9Å; V64-W67 HydrophobicContact CG1-CG 4.42Å; V64-W67 PolarHBondContact O-N 3.3Å; Y65-W67 VanDerWaalsContact C-N 3.27Å; Y65-W67 PolarHBondContact O-N 3.15Å; Y65-W67 VanDerWaalsContact O-N 3.14Å |
| 68 | G | 75.1 | Confident | 86.3 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 47% | 0.474 | 38% | 0.376 | S | S | . | . | trans | 83.3 | 152.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N70 | G68-N70 PolarHBondContact O-N 2.89Š| ||
| 69 | D | 84.5 | Confident | 86 | Confident | 74 Ų | 74 | 80.1 Ų | 80.1 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | trans | -63.6 | 127.8 | 179.3 | -77.5 | -25.4 | 0 | 0 | 0 | 110.8 | V61 T71 R95 | V61-D69 HydrophobicContact CG1-CB 3.64Å; V61-D69 VanDerWaalsContact CG1-CG 3.44Å; D69-T71 HydrophobicContact CB-CG2 3.75Å; D69-R95 IonicContact OD1-NH2 3.29Å; D69-R95 PolarHBondContact OD1-NH2 2.9Å; D69-R95 IonicContact OD2-CZ 2.71Å; D69-R95 IonicContact OD2-NH1 2.81Å; D69-R95 IonicContact OD2-NH2 2.75Å; D69-R95 PolarHBondContact OD2-NH2 2.86Å | ||
| 70 | N | 87.8 | Confident | 85.8 | Confident | 81 Ų | 81 | 77.9 Ų | 77.9 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 124 | 163.9 | -79.7 | -45.1 | 0 | 0 | 0 | 108.1 | V61 H62 V64 G68 A84 | V61-N70 WeakPolarHBondContact CA-O 3.28Å; H62-N70 HydrophobicContact CB-CB 4.14Å; H62-N70 PolarHBondContact N-O 3.47Å; H62-N70 PolarHBondContact O-N 3.39Å; V64-N70 WeakPolarHBondContact CG2-ND2 3.26Å; G68-N70 PolarHBondContact O-N 2.89Å; N70-A84 HydrophobicContact CB-CB 3.9Å |
| 71 | T | 92.1 | Very high | 85.6 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.3 | -172.1 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | L60 V61 D69 | L60-T71 CarbonylContact O-C 3.59Å; L60-T71 WeakPolarHBondContact O-CA 3.23Å; V61-T71 HydrophobicContact CB-CG2 4.27Å; V61-T71 HydrophobicContact CG1-CG2 4.01Å; V61-T71 HydrophobicContact CG2-CG2 3.86Å; D69-T71 HydrophobicContact CB-CG2 3.75Å |
| 72 | V | 93.5 | Very high | 85.5 | Confident | 48 Ų | 48 | 81 Ų | 81 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.6 | 169.1 | 64.3 | 0 | 0 | 0 | 0 | 109.7 | Y59 L60 L81 L82 | Y59-V72 WeakPolarHBondContact CA-O 3.43Å; Y59-V72 WeakPolarHBondContact CD1-O 3.3Å; L60-V72 HydrophobicContact CB-CG1 3.67Å; L60-V72 HydrophobicContact CD1-CG1 4.13Å; L60-V72 HydrophobicContact CG-CG1 4.35Å; L60-V72 PolarHBondContact N-O 2.77Å; L60-V72 PolarHBondContact O-N 2.98Å; V72-L81 WeakPolarHBondContact CG1-O 3.02Å; V72-L82 HydrophobicContact CB-CD1 4.16Å; V72-L82 HydrophobicContact CG1-CB 4.32Å; V72-L82 HydrophobicContact CG1-CD1 3.75Å |
| 73 | K | 94.1 | Very high | 85.4 | Confident | 80 Ų | 80 | 88.2 Ų | 88.2 | 35% | 0.348 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.3 | 173.8 | -68.9 | -173.4 | -178.1 | 179.9 | 0 | 110.3 | Y57 Y59 Y75 | Y57-K73 HydrophobicContact CD1-CD 4.47Å; Y57-K73 HydrophobicContact CD2-CB 4.47Å; Y57-K73 HydrophobicContact CD2-CD 4.1Å; Y57-K73 HydrophobicContact CD2-CG 4Å; Y57-K73 HydrophobicContact CE2-CD 4.17Å; Y57-K73 HydrophobicContact CE2-CG 4.28Å; Y57-K73 HydrophobicContact CG-CD 4.27Å; Y57-K73 HydrophobicContact CG-CG 4.46Å; Y59-K73 HydrophobicContact CD1-CG 3.74Å; Y59-K73 HydrophobicContact CE1-CB 4.48Å; Y59-K73 HydrophobicContact CE1-CD 4.17Å; Y59-K73 HydrophobicContact CE1-CG 3.28Å; Y59-K73 HydrophobicContact CE2-CG 4.36Å; Y59-K73 HydrophobicContact CG-CG 4.47Å; Y59-K73 WeakPolarHBondContact OH-CE 3.2Å; K73-Y75 HydrophobicContact CB-CE2 4.24Å |
| 74 | V | 93.7 | Very high | 85.2 | Confident | 20 Ų | 20 | 86 Ų | 86 | 12% | 0.121 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 109.8 | 173.3 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | W47 Y57 V58 L60 E76 | W47-V74 HydrophobicContact CH2-CB 4.15Å; W47-V74 HydrophobicContact CH2-CG1 4Å; W47-V74 HydrophobicContact CH2-CG2 4.04Å; W47-V74 HydrophobicContact CZ2-CB 4.27Å; W47-V74 HydrophobicContact CZ2-CG1 4.05Å; Y57-V74 CarbonylContact C-O 3.56Å; Y57-V74 WeakPolarHBondContact CA-O 3.45Å; Y57-V74 WeakPolarHBondContact CB-O 3.49Å; V58-V74 PolarHBondContact N-O 3.26Å; V58-V74 PolarHBondContact O-N 3.01Å; L60-V74 HydrophobicContact CD1-CG2 4.23Å; L60-V74 HydrophobicContact CG-CG2 4.41Å; V74-E76 WeakPolarHBondContact CG1-O 3.33Å |
| 75 | Y | 92.1 | Very high | 85.3 | Confident | 146 Ų | 146 | 86 Ų | 86 | 57% | 0.573 | 43% | 0.429 | S | S | * | . | trans | -80 | -25.2 | -173.9 | -69.1 | -78.5 | 0 | 0 | 0 | 113.4 | F55 Y57 K73 | F55-Y75 VanDerWaalsContact CE1-O 3.31Å; F55-Y75 WeakPolarHBondContact CE1-O 3.35Å; Y57-Y75 HydrophobicContact CD1-CE1 4.32Å; K73-Y75 HydrophobicContact CB-CE2 4.24Å | ||
| 76 | E | 86.3 | Confident | 85.9 | Confident | 171 Ų | 171 | 77.6 Ų | 77.6 | 80% | 0.799 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -146 | 153.5 | -176.2 | -65.4 | -172.9 | 173.1 | 0 | 0 | 111.1 | V74 | V74-E76 WeakPolarHBondContact CG1-O 3.33Š|
| 77 | G | 86.9 | Confident | 87 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 83.4 | -165.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 78 | N | 88.7 | Confident | 88 | Confident | 61 Ų | 61 | 65 Ų | 65 | 33% | 0.326 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -132 | 14.5 | -172.6 | 69.9 | -51.5 | 0 | 0 | 0 | 112.7 | E46 W47 | E46-N78 CarbonylContact C-O 3.58Å; E46-N78 WeakPolarHBondContact CA-O 3.41Å; W47-N78 PolarHBondContact N-O 2.99Å; W47-N78 WeakPolarHBondContact O-CB 3.38Å; W47-N78 PolarHBondContact O-ND2 2.82Å |
| 79 | I | 90.9 | Very high | 88.6 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 44% | 0.441 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 142.8 | 176.9 | -63.5 | 174.1 | 0 | 0 | 0 | 108.1 | I36 F45 E46 | I36-I79 HydrophobicContact CD1-CD1 4.2Å; I36-I79 HydrophobicContact CD1-CG1 4.34Å; I36-I79 HydrophobicContact CD1-CG2 3.86Å; F45-I79 CarbonylContact O-C 3.47Å; F45-I79 WeakPolarHBondContact O-CA 3.44Å; E46-I79 HydrophobicContact CB-CG1 4.32Å; E46-I79 HydrophobicContact CG-CG1 4.33Å |
| 80 | G | 89.4 | Confident | 88.8 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 156 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A44 F45 W47 | A44-G80 WeakPolarHBondContact CA-O 3.45Å; F45-G80 PolarHBondContact N-O 3.43Å; F45-G80 PolarHBondContact O-N 2.68Å; W47-G80 VanDerWaalsContact CZ3-N 3.32Å |
| 81 | L | 91 | Very high | 88.7 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 34% | 0.34 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.4 | -179.6 | -173.8 | 75.7 | 0 | 0 | 0 | 109.2 | A42 A44 V72 | A42-L81 HydrophobicContact CB-CD1 3.68Å; A42-L81 HydrophobicContact CB-CD2 4.2Å; A42-L81 HydrophobicContact CB-CG 3.91Å; A44-L81 HydrophobicContact CB-CD1 4.15Å; V72-L81 WeakPolarHBondContact CG1-O 3.02Å |
| 82 | L | 90.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.2 | 172.3 | -176.3 | 65 | 0 | 0 | 0 | 108.8 | A42 M43 F45 H62 V72 A84 Y94 | A42-L82 CarbonylContact C-O 3.5Å; A42-L82 VanDerWaalsContact CA-O 3.29Å; A42-L82 WeakPolarHBondContact CA-O 3.48Å; M43-L82 PolarHBondContact N-O 3.04Å; M43-L82 PolarHBondContact O-N 3.39Å; F45-L82 HydrophobicContact CD2-CB 4.33Å; F45-L82 HydrophobicContact CE2-CB 3.77Å; F45-L82 HydrophobicContact CE2-CD2 4.36Å; H62-L82 HydrophobicContact CB-CD2 3.6Å; V72-L82 HydrophobicContact CB-CD1 4.16Å; V72-L82 HydrophobicContact CG1-CB 4.32Å; V72-L82 HydrophobicContact CG1-CD1 3.75Å; L82-A84 HydrophobicContact CG-CB 4.13Å; L82-A84 PolarHBondContact O-N 3.33Å; L82-Y94 HydrophobicContact CD2-CD1 4.01Å; L82-Y94 HydrophobicContact CD2-CE1 3.98Å |
| 83 | E | 89.7 | Confident | 88.2 | Confident | 167 Ų | 167 | 67 Ų | 67 | 78% | 0.78 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -75.4 | 37.3 | 177 | -59.7 | -177.9 | 166.4 | 0 | 0 | 112.2 | A41 | A41-E83 CarbonylContact O-C 3.53Å; A41-E83 WeakPolarHBondContact O-CA 3.49Å |
| 84 | A | 82.3 | Confident | 88 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | trans | -141.4 | 123.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109 | H62 N70 L82 | H62-A84 HydrophobicContact CB-CB 4.21Å; N70-A84 HydrophobicContact CB-CB 3.9Å; L82-A84 HydrophobicContact CG-CB 4.13Å; L82-A84 PolarHBondContact O-N 3.33Å | ||
| 85 | I | 81.5 | Confident | 87.9 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 19% | 0.185 | 33% | 0.33 | C | S | . | . | trans | -116.8 | 145 | 178.2 | -166.7 | 168 | 0 | 0 | 0 | 109.8 | E38 M43 | E38-I85 HydrophobicContact CG-CD1 3.56Å; M43-I85 HydrophobicContact CE-CB 4.49Å; M43-I85 HydrophobicContact CE-CG1 3.94Å; M43-I85 HydrophobicContact CG-CD1 4.11Å; M43-I85 HydrophobicContact CG-CG1 4.1Å; M43-I85 HydrophobicContact SD-CD1 4.33Å; M43-I85 HydrophobicContact SD-CG1 4.06Å | ||
| 86 | G | 82.9 | Confident | 88 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 157.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T92 Y94 R117 | G86-T92 VanDerWaalsContact CA-CG2 3.44Å; G86-Y94 PolarHBondContact N-OH 2.84Å; G86-R117 PolarHBondContact O-NE 3.25Å; G86-R117 PolarHBondContact O-NH2 2.74Å |
| 87 | E | 86.7 | Confident | 88.4 | Confident | 125 Ų | 125 | 49.3 Ų | 49.3 | 58% | 0.584 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 147.1 | 170.5 | -65.9 | -59.6 | 152.5 | 0 | 0 | 110.8 | D90 | E87-D90 HydrophobicContact CB-CB 4.33Š|
| 88 | P | 87.7 | Confident | 88.8 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 7% | 0.071 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -58.8 | 148.8 | 172.6 | -23.2 | 37.4 | 0 | 0 | 0 | 111.1 | D90 R117 P119 T142 | P88-D90 PolarHBondContact O-N 2.83Å; P88-R117 VanDerWaalsContact CG-CZ 3.41Å; P88-P119 HydrophobicContact CB-CB 4.2Å; P88-P119 HydrophobicContact CB-CG 3.77Å; P88-T142 HydrophobicContact CB-CG2 3.47Å; P88-T142 VanDerWaalsContact CB-CG2 3.47Å; P88-T142 HydrophobicContact CG-CG2 3.32Å |
| 89 | C | 88.9 | Confident | 89.1 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 20% | 0.203 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -14.5 | 178.3 | -49.9 | 0 | 0 | 0 | 0 | 115.8 | K116 R117 P119 C145 | C89-K116 WeakPolarHBondContact O-CE 3.34Å; C89-R117 PolarHBondContact N-O 3.23Å; C89-P119 VanDerWaalsContact SG-CG 3.54Å; C89-C145 WeakPolarHBondContact CA-SG 3.38Å; C89-C145 HydrophobicContact CB-CB 3.63Å; C89-C145 WeakPolarHBondContact CB-SG 3.17Å; C89-C145 WeakPolarHBondContact SG-CA 2.93Å; C89-C145 WeakPolarHBondContact SG-CB 3.32Å; C89-C145 PolarHBondContact SG-N 2.98Å; C89-C145 CovalentContact SG-SG 2.04Å; C89-C145 PolarHBondContact SG-SG 3.29Å |
| 90 | D | 87.4 | Confident | 89.4 | Confident | 99 Ų | 99 | 42.4 Ų | 42.4 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -90.2 | 136.9 | 175 | -73.7 | -30.6 | 0 | 0 | 0 | 111.6 | E87 P88 T92 | E87-D90 HydrophobicContact CB-CB 4.33Å; P88-D90 PolarHBondContact O-N 2.83Å; D90-T92 PolarHBondContact O-N 3.25Å |
| 91 | V | 85.6 | Confident | 89.4 | Confident | 94 Ų | 94 | 48.2 Ų | 48.2 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 114.1 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | T114 K116 | V91-T114 HydrophobicContact CG1-CG2 4.15Å; V91-K116 HydrophobicContact CG2-CB 4.25Å; V91-K116 HydrophobicContact CG2-CD 4.3Å; V91-K116 HydrophobicContact CG2-CG 4.28Å |
| 92 | T | 85.6 | Confident | 89.2 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 150.7 | 176.4 | 54 | 0 | 0 | 0 | 0 | 111.4 | G86 D90 Y94 T114 Y115 | G86-T92 VanDerWaalsContact CA-CG2 3.44Å; D90-T92 PolarHBondContact O-N 3.25Å; T92-Y94 VanDerWaalsContact OG1-CE2 3.22Å; T92-Y94 WeakPolarHBondContact OG1-CE2 3.26Å; T92-T114 CarbonylContact O-C 3.34Å; T92-T114 WeakPolarHBondContact O-CA 3.23Å; T92-Y115 PolarHBondContact N-O 3.32Å; T92-Y115 PolarHBondContact O-N 3.01Å; T92-Y115 PolarHBondContact OG1-O 3.24Å |
| 93 | K | 89 | Confident | 88.9 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 52% | 0.522 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129 | -178.6 | -70.6 | 175.3 | -172.5 | 170.6 | 0 | 109.8 | D63 M113 T114 | D63-K93 HydrophobicContact CB-CB 4Å; D63-K93 WeakPolarHBondContact CB-O 3.1Å; D63-K93 PolarHBondContact N-O 2.82Å; K93-M113 WeakPolarHBondContact CA-O 3.45Å; K93-T114 HydrophobicContact CG-CG2 4.07Å |
| 94 | Y | 91.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 150.4 | 174.1 | -65 | -81.5 | 0 | 0 | 0 | 110.7 | M43 F45 V61 H62 L82 G86 T92 Q112 M113 Y115 | M43-Y94 HydrophobicContact CE-CD2 4.44Å; M43-Y94 HydrophobicContact CE-CE1 3.71Å; M43-Y94 HydrophobicContact CE-CE2 3.49Å; M43-Y94 VanDerWaalsContact CE-CE2 3.49Å; M43-Y94 WeakPolarHBondContact CE-OH 3.32Å; F45-Y94 AromaticContact CE1-CD1 3.71Å; F45-Y94 HydrophobicContact CE1-CD1 3.71Å; F45-Y94 HydrophobicContact CE1-CD2 4.11Å; F45-Y94 HydrophobicContact CE1-CE1 4.37Å; F45-Y94 AromaticContact CE1-CG 3.58Å; F45-Y94 HydrophobicContact CE1-CG 3.58Å; F45-Y94 HydrophobicContact CE2-CD1 4.49Å; F45-Y94 AromaticContact CZ-CD1 3.43Å; F45-Y94 HydrophobicContact CZ-CD1 3.43Å; F45-Y94 VanDerWaalsContact CZ-CD1 3.43Å; F45-Y94 HydrophobicContact CZ-CD2 4.35Å; F45-Y94 AromaticContact CZ-CE1 3.73Å; F45-Y94 HydrophobicContact CZ-CE1 3.73Å; F45-Y94 AromaticContact CZ-CG 3.8Å; F45-Y94 HydrophobicContact CZ-CG 3.8Å; V61-Y94 CarbonylContact O-C 3.59Å; V61-Y94 VanDerWaalsContact O-CA 3.25Å; V61-Y94 WeakPolarHBondContact O-CA 3.42Å; H62-Y94 HydrophobicContact CB-CD1 4Å; H62-Y94 HydrophobicContact CB-CE1 3.58Å; H62-Y94 AromaticContact CD2-CE1 3.59Å; H62-Y94 AromaticContact CD2-CZ 3.68Å; H62-Y94 AromaticContact CG-CE1 3.64Å; L82-Y94 HydrophobicContact CD2-CD1 4.01Å; L82-Y94 HydrophobicContact CD2-CE1 3.98Å; G86-Y94 PolarHBondContact N-OH 2.84Å; T92-Y94 VanDerWaalsContact OG1-CE2 3.22Å; T92-Y94 WeakPolarHBondContact OG1-CE2 3.26Å; Y94-Q112 WeakPolarHBondContact O-CA 3.4Å; Y94-M113 HydrophobicContact CD2-CE 4.21Å; Y94-M113 HydrophobicContact CG-CE 4.31Å; Y94-M113 PolarHBondContact N-O 2.76Å; Y94-M113 PolarHBondContact O-N 3.09Å; Y94-Y115 HydrophobicContact CE2-CD1 4.34Å |
| 95 | R | 91.3 | Very high | 89.2 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 143.9 | 175.3 | -51.7 | 176 | -93.6 | 149.1 | -9.4 | 110.5 | L60 V61 D69 E97 Y111 Q112 | L60-R95 CarbonylContact C-O 3.58Å; L60-R95 WeakPolarHBondContact CA-O 3.28Å; V61-R95 HydrophobicContact CB-CB 4.16Å; V61-R95 PolarHBondContact N-O 2.85Å; V61-R95 PolarHBondContact O-N 2.82Å; D69-R95 IonicContact OD1-NH2 3.29Å; D69-R95 PolarHBondContact OD1-NH2 2.9Å; D69-R95 IonicContact OD2-CZ 2.71Å; D69-R95 IonicContact OD2-NH1 2.81Å; D69-R95 IonicContact OD2-NH2 2.75Å; D69-R95 PolarHBondContact OD2-NH2 2.86Å; R95-E97 HydrophobicContact CB-CG 4.23Å; R95-E97 IonicContact CZ-OE1 3.87Å; R95-E97 IonicContact NE-OE1 2.89Å; R95-E97 IonicContact NH1-OE1 2.68Å; R95-E97 PolarHBondContact NH1-OE1 2.84Å; R95-Y111 VanDerWaalsContact CA-O 3.26Å; R95-Y111 WeakPolarHBondContact CA-O 3.23Å; R95-Q112 HydrophobicContact CG-CG 4.29Å |
| 96 | A | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | F33 W47 M50 V58 Y59 L60 K110 Y111 | F33-A96 HydrophobicContact CD2-CB 3.86Å; F33-A96 HydrophobicContact CE1-CB 4.44Å; F33-A96 HydrophobicContact CE2-CB 3.62Å; F33-A96 HydrophobicContact CG-CB 4.39Å; F33-A96 HydrophobicContact CZ-CB 3.94Å; W47-A96 HydrophobicContact CD2-CB 4.44Å; W47-A96 HydrophobicContact CG-CB 4.46Å; M50-A96 HydrophobicContact CE-CB 3.79Å; M50-A96 WeakPolarHBondContact CE-O 3.32Å; V58-A96 HydrophobicContact CG1-CB 4.05Å; Y59-A96 CarbonylContact O-C 3.6Å; Y59-A96 WeakPolarHBondContact O-CA 3.34Å; L60-A96 HydrophobicContact CD2-CB 3.95Å; A96-K110 CarbonylContact O-C 3.5Å; A96-K110 WeakPolarHBondContact O-CA 3.32Å; A96-Y111 HydrophobicContact CB-CD2 4.41Å; A96-Y111 PolarHBondContact N-O 3.21Å; A96-Y111 PolarHBondContact O-N 3.16Å |
| 97 | E | 94.7 | Very high | 90.3 | Very high | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.5 | -172.8 | -71.7 | -171.2 | 178.5 | 0 | 0 | 110.7 | V58 Y59 R95 Y99 N107 Q109 K110 | V58-E97 CarbonylContact C-O 3.57Å; V58-E97 VanDerWaalsContact CA-O 3.29Å; V58-E97 WeakPolarHBondContact CA-O 3.41Å; Y59-E97 PolarHBondContact N-O 2.91Å; Y59-E97 PolarHBondContact O-N 2.81Å; R95-E97 HydrophobicContact CB-CG 4.23Å; R95-E97 IonicContact CZ-OE1 3.87Å; R95-E97 IonicContact NE-OE1 2.89Å; R95-E97 IonicContact NH1-OE1 2.68Å; R95-E97 PolarHBondContact NH1-OE1 2.84Å; E97-Y99 HydrophobicContact CB-CD2 4.24Å; E97-Y99 HydrophobicContact CB-CE2 3.51Å; E97-Y99 VanDerWaalsContact O-CD2 3.26Å; E97-Y99 WeakPolarHBondContact O-CD2 2.91Å; E97-Y99 PolarHBondContact OE2-OH 3.1Å; E97-N107 WeakPolarHBondContact CB-ND2 3.13Å; E97-Q109 CarbonylContact C-O 3.59Å; E97-Q109 WeakPolarHBondContact CA-O 3.43Å; E97-K110 HydrophobicContact CG-CB 4.41Å; E97-K110 HydrophobicContact CG-CD 4.17Å; E97-K110 HydrophobicContact CG-CG 4.01Å; E97-K110 WeakPolarHBondContact OE1-CE 3.12Å; E97-K110 IonicContact OE1-NZ 3.19Å; E97-K110 PolarHBondContact OE1-NZ 2.97Å |
| 98 | G | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 129.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M50 N107 F108 Q109 | M50-G98 WeakPolarHBondContact SD-CA 3.42Å; M50-G98 PolarHBondContact SD-N 2.91Å; M50-G98 VanDerWaalsContact SD-N 3.37Å; G98-N107 CarbonylContact O-C 3.56Å; G98-N107 WeakPolarHBondContact O-CA 3.32Å; G98-F108 VanDerWaalsContact O-CD1 3.25Å; G98-F108 WeakPolarHBondContact O-CD1 3.45Å; G98-F108 WeakPolarHBondContact O-CE1 3.26Å; G98-F108 PolarHBondContact O-N 3.49Å; G98-Q109 PolarHBondContact N-O 3.02Å |
| 99 | Y | 96.5 | Very high | 90.9 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 18% | 0.184 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 146.1 | -178.9 | -75.4 | -94.7 | 0 | 0 | 0 | 112.8 | G56 Y57 Y59 E97 P105 S106 N107 F108 | G56-Y99 WeakPolarHBondContact CA-O 3.35Å; G56-Y99 PolarHBondContact N-O 2.9Å; Y57-Y99 HydrophobicContact CD2-CD2 4.39Å; Y57-Y99 AromaticContact CE2-CD2 3.84Å; Y57-Y99 HydrophobicContact CE2-CD2 3.84Å; Y57-Y99 AromaticContact CE2-CG 3.78Å; Y57-Y99 HydrophobicContact CE2-CG 3.78Å; Y57-Y99 PolarHBondContact N-O 2.04Å; Y57-Y99 PolarHBondContact O-N 2.85Å; Y59-Y99 AromaticContact CD2-CD2 3.74Å; Y59-Y99 HydrophobicContact CD2-CD2 3.74Å; Y59-Y99 AromaticContact CD2-CE2 3.58Å; Y59-Y99 HydrophobicContact CD2-CE2 3.58Å; Y59-Y99 HydrophobicContact CG-CE2 4.37Å; E97-Y99 HydrophobicContact CB-CD2 4.24Å; E97-Y99 HydrophobicContact CB-CE2 3.51Å; E97-Y99 VanDerWaalsContact O-CD2 3.26Å; E97-Y99 WeakPolarHBondContact O-CD2 2.91Å; E97-Y99 PolarHBondContact OE2-OH 3.1Å; Y99-P105 HydrophobicContact CD1-CB 4.09Å; Y99-S106 WeakPolarHBondContact CA-O 2.99Å; Y99-N107 HydrophobicContact CD1-CB 4.35Å; Y99-N107 HydrophobicContact CE1-CB 3.86Å; Y99-F108 VanDerWaalsContact N-CE1 3.33Å; Y99-F108 WeakPolarHBondContact O-CE1 3.3Å |
| 100 | T | 95.5 | Very high | 91.1 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 148.1 | 176.9 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | H52 S54 A102 P105 S106 F108 | H52-T100 VanDerWaalsContact CE1-CG2 3.45Å; H52-T100 WeakPolarHBondContact CE1-CG2 3.04Å; S54-T100 CarbonylContact O-C 3.37Å; S54-T100 WeakPolarHBondContact O-CA 3.05Å; S54-T100 WeakPolarHBondContact O-CB 3.36Å; T100-A102 VanDerWaalsContact C-N 3.29Å; T100-A102 PolarHBondContact O-N 3.14Å; T100-P105 WeakPolarHBondContact O-CB 3.47Å; T100-S106 PolarHBondContact N-O 2.87Å; T100-S106 PolarHBondContact OG1-N 3.35Å; T100-S106 VanDerWaalsContact OG1-N 3.11Å; T100-S106 PolarHBondContact OG1-OG 3.45Å; T100-F108 HydrophobicContact CG2-CD1 3.85Å |
| 101 | N | 90.4 | Very high | 91.3 | Very high | 130 Ų | 130 | 61.4 Ų | 61.4 | 70% | 0.695 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -80.4 | 70.9 | 169.5 | -163.9 | 15.4 | 0 | 0 | 0 | 111.3 | S54 | S54-N101 PolarHBondContact O-N 3.32Š|
| 102 | A | 86 | Confident | 91.4 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 41% | 0.413 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -126.9 | 162.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | T100 F104 P105 | T100-A102 VanDerWaalsContact C-N 3.29Å; T100-A102 PolarHBondContact O-N 3.14Å; A102-F104 PolarHBondContact O-N 2.98Å; A102-P105 WeakPolarHBondContact O-CD 3.08Å |
| 103 | F | 84.9 | Confident | 91.4 | Very high | 188 Ų | 188 | 62.1 Ų | 62.1 | 83% | 0.825 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -55.9 | -35.1 | 175.9 | -174 | -93.5 | 0 | 0 | 0 | 112.1 | P105 | F103-P105 WeakPolarHBondContact O-CD 3.43Š|
| 104 | F | 88.5 | Confident | 91.3 | Very high | 169 Ų | 169 | 60.1 Ų | 60.1 | 74% | 0.741 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -111.2 | 96.2 | 163.8 | -65 | -72.1 | 0 | 0 | 0 | 108.9 | A102 S106 | A102-F104 PolarHBondContact O-N 2.98Å; F104-S106 PolarHBondContact O-N 3.27Å |
| 105 | P | 90.1 | Very high | 91 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | trans | -59.8 | 125.2 | 177.1 | -23 | 33.8 | 0 | 0 | 0 | 110.4 | Y99 T100 A102 F103 | Y99-P105 HydrophobicContact CD1-CB 4.09Å; T100-P105 WeakPolarHBondContact O-CB 3.47Å; A102-P105 WeakPolarHBondContact O-CD 3.08Å; F103-P105 WeakPolarHBondContact O-CD 3.43Å | ||
| 106 | S | 93.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 62 Ų | 62 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | trans | -104.1 | 140.4 | 171.6 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | Y99 T100 F104 F108 | Y99-S106 WeakPolarHBondContact CA-O 2.99Å; T100-S106 PolarHBondContact N-O 2.87Å; T100-S106 PolarHBondContact OG1-N 3.35Å; T100-S106 VanDerWaalsContact OG1-N 3.11Å; T100-S106 PolarHBondContact OG1-OG 3.45Å; F104-S106 PolarHBondContact O-N 3.27Å; S106-F108 PolarHBondContact O-N 2.97Å | ||
| 107 | N | 94.7 | Very high | 90.4 | Very high | 65 Ų | 65 | 62.4 Ų | 62.4 | 35% | 0.348 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 129.3 | 167.5 | -178.7 | -80.8 | 0 | 0 | 0 | 108.7 | E97 G98 Y99 Q109 | E97-N107 WeakPolarHBondContact CB-ND2 3.13Å; G98-N107 CarbonylContact O-C 3.56Å; G98-N107 WeakPolarHBondContact O-CA 3.32Å; Y99-N107 HydrophobicContact CD1-CB 4.35Å; Y99-N107 HydrophobicContact CE1-CB 3.86Å; N107-Q109 PolarHBondContact ND2-O 3.36Å; N107-Q109 PolarHBondContact OD1-N 3.47Å |
| 108 | F | 94.1 | Very high | 90 | Very high | 51 Ų | 51 | 62 Ų | 62 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | -16.9 | 177.3 | 67.4 | -99.5 | 0 | 0 | 0 | 113.1 | M50 H52 F55 G98 Y99 T100 S106 | M50-F108 HydrophobicContact CB-CE2 3.9Å; M50-F108 HydrophobicContact CB-CZ 4Å; H52-F108 HydrophobicContact CB-CD1 3.97Å; H52-F108 HydrophobicContact CB-CD2 3.8Å; H52-F108 HydrophobicContact CB-CE1 3.86Å; H52-F108 HydrophobicContact CB-CE2 3.72Å; H52-F108 HydrophobicContact CB-CG 3.96Å; H52-F108 HydrophobicContact CB-CZ 3.78Å; H52-F108 AromaticContact CD2-CG 3.91Å; H52-F108 AromaticContact CG-CD1 3.98Å; H52-F108 AromaticContact CG-CG 3.9Å; F55-F108 HydrophobicContact CD2-CE1 4.18Å; F55-F108 AromaticContact CD2-CZ 3.76Å; F55-F108 HydrophobicContact CD2-CZ 3.76Å; F55-F108 HydrophobicContact CE2-CZ 4.31Å; G98-F108 VanDerWaalsContact O-CD1 3.25Å; G98-F108 WeakPolarHBondContact O-CD1 3.45Å; G98-F108 WeakPolarHBondContact O-CE1 3.26Å; G98-F108 PolarHBondContact O-N 3.49Å; Y99-F108 VanDerWaalsContact N-CE1 3.33Å; Y99-F108 WeakPolarHBondContact O-CE1 3.3Å; T100-F108 HydrophobicContact CG2-CD1 3.85Å; S106-F108 PolarHBondContact O-N 2.97Å |
| 109 | Q | 92.9 | Very high | 89.7 | Confident | 60 Ų | 60 | 62.1 Ų | 62.1 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 147 | 178.7 | -169.9 | 164.1 | 20 | 0 | 0 | 110.5 | M50 E97 G98 N107 Y111 | M50-Q109 HydrophobicContact CG-CG 4.41Å; M50-Q109 HydrophobicContact SD-CB 4.31Å; E97-Q109 CarbonylContact C-O 3.59Å; E97-Q109 WeakPolarHBondContact CA-O 3.43Å; G98-Q109 PolarHBondContact N-O 3.02Å; N107-Q109 PolarHBondContact ND2-O 3.36Å; N107-Q109 PolarHBondContact OD1-N 3.47Å; Q109-Y111 PolarHBondContact NE2-OH 3.07Å |
| 110 | K | 92.2 | Very high | 89.2 | Confident | 88 Ų | 88 | 60.4 Ų | 60.4 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 131.9 | 179.3 | 178 | 168.1 | 178.1 | 148.8 | 0 | 110.7 | A96 E97 Q112 | A96-K110 CarbonylContact O-C 3.5Å; A96-K110 WeakPolarHBondContact O-CA 3.32Å; E97-K110 HydrophobicContact CG-CB 4.41Å; E97-K110 HydrophobicContact CG-CD 4.17Å; E97-K110 HydrophobicContact CG-CG 4.01Å; E97-K110 WeakPolarHBondContact OE1-CE 3.12Å; E97-K110 IonicContact OE1-NZ 3.19Å; E97-K110 PolarHBondContact OE1-NZ 2.97Å; K110-Q112 HydrophobicContact CD-CG 4.45Å; K110-Q112 HydrophobicContact CG-CG 4.14Å |
| 111 | Y | 91.4 | Very high | 88.8 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 147.8 | 163 | -59.1 | -69.2 | 0 | 0 | 0 | 109.4 | F33 W47 M50 R95 A96 Q109 | F33-Y111 VanDerWaalsContact CB-CB 3.5Å; F33-Y111 HydrophobicContact CB-CD2 4.48Å; F33-Y111 HydrophobicContact CB-CG 4Å; W47-Y111 HydrophobicContact CB-CD2 4.04Å; W47-Y111 HydrophobicContact CB-CE2 4.23Å; M50-Y111 HydrophobicContact CE-CD2 3.32Å; M50-Y111 HydrophobicContact CE-CE2 3.54Å; M50-Y111 HydrophobicContact CE-CG 4.47Å; M50-Y111 HydrophobicContact CG-CE2 3.98Å; R95-Y111 VanDerWaalsContact CA-O 3.26Å; R95-Y111 WeakPolarHBondContact CA-O 3.23Å; A96-Y111 HydrophobicContact CB-CD2 4.41Å; A96-Y111 PolarHBondContact N-O 3.21Å; A96-Y111 PolarHBondContact O-N 3.16Å; Q109-Y111 PolarHBondContact NE2-OH 3.07Å |
| 112 | Q | 89.3 | Confident | 88.6 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 147.1 | 178 | -58.8 | -172.7 | -70.1 | 0 | 0 | 109.8 | Y94 R95 K110 | Y94-Q112 WeakPolarHBondContact O-CA 3.4Å; R95-Q112 HydrophobicContact CG-CG 4.29Å; K110-Q112 HydrophobicContact CD-CG 4.45Å; K110-Q112 HydrophobicContact CG-CG 4.14Å |
| 113 | M | 85.3 | Confident | 88.6 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 142.9 | 178.3 | 156.5 | 160.9 | 85.3 | 0 | 0 | 109.2 | N22 F33 V35 F45 K93 Y94 | N22-M113 HydrophobicContact CB-CB 4.38Å; N22-M113 HydrophobicContact CB-CG 4.33Å; N22-M113 HydrophobicContact CB-SD 4.39Å; N22-M113 WeakPolarHBondContact ND2-CG 3.41Å; N22-M113 PolarHBondContact ND2-SD 2.76Å; N22-M113 WeakPolarHBondContact OD1-CA 3.08Å; N22-M113 WeakPolarHBondContact OD1-CG 3.37Å; F33-M113 HydrophobicContact CD1-CB 3.57Å; F33-M113 HydrophobicContact CE1-CB 3.6Å; F33-M113 HydrophobicContact CE1-CE 4.29Å; F33-M113 HydrophobicContact CZ-CE 4.29Å; V35-M113 HydrophobicContact CB-CE 4.47Å; V35-M113 HydrophobicContact CG2-CE 3.38Å; V35-M113 HydrophobicContact CG2-SD 4.06Å; F45-M113 HydrophobicContact CD1-CE 3.35Å; F45-M113 HydrophobicContact CE1-CE 3.19Å; F45-M113 HydrophobicContact CZ-CE 4.47Å; K93-M113 WeakPolarHBondContact CA-O 3.45Å; Y94-M113 HydrophobicContact CD2-CE 4.21Å; Y94-M113 HydrophobicContact CG-CE 4.31Å; Y94-M113 PolarHBondContact N-O 2.76Å; Y94-M113 PolarHBondContact O-N 3.09Å |
| 114 | T | 86.8 | Confident | 88.6 | Confident | 79 Ų | 79 | 51.5 Ų | 51.5 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.3 | 164.7 | 46.3 | 0 | 0 | 0 | 0 | 108.4 | N22 V91 T92 K93 | N22-T114 PolarHBondContact ND2-O 2.88Å; N22-T114 PolarHBondContact OD1-N 2.9Å; N22-T114 PolarHBondContact OD1-O 2.83Å; N22-T114 VanDerWaalsContact OD1-O 3.06Å; V91-T114 HydrophobicContact CG1-CG2 4.15Å; T92-T114 CarbonylContact O-C 3.34Å; T92-T114 WeakPolarHBondContact O-CA 3.23Å; K93-T114 HydrophobicContact CG-CG2 4.07Å |
| 115 | Y | 84.7 | Confident | 88.4 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 9% | 0.09 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.6 | 179.7 | -177.5 | -110.6 | 0 | 0 | 0 | 109.4 | L19 V35 E38 M43 T92 Y94 R117 | L19-Y115 HydrophobicContact CD2-CD2 4.41Å; L19-Y115 HydrophobicContact CD2-CE2 3.54Å; V35-Y115 HydrophobicContact CG2-CD2 4.16Å; V35-Y115 HydrophobicContact CG2-CE2 4.39Å; V35-Y115 HydrophobicContact CG2-CG 4.32Å; E38-Y115 PolarHBondContact OE2-OH 3.36Å; M43-Y115 HydrophobicContact CE-CD1 4.11Å; M43-Y115 HydrophobicContact CE-CE1 4.36Å; M43-Y115 HydrophobicContact SD-CD1 3.9Å; M43-Y115 HydrophobicContact SD-CE1 3.61Å; T92-Y115 PolarHBondContact N-O 3.32Å; T92-Y115 PolarHBondContact O-N 3.01Å; T92-Y115 PolarHBondContact OG1-O 3.24Å; Y94-Y115 HydrophobicContact CE2-CD1 4.34Å; Y115-R117 HydrophobicContact CD1-CB 4.48Å; Y115-R117 HydrophobicContact CE1-CB 3.88Å; Y115-R117 HydrophobicContact CE1-CG 4.37Å |
| 116 | K | 85.9 | Confident | 88 | Confident | 49 Ų | 49 | 47.2 Ų | 47.2 | 21% | 0.213 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.6 | 172.8 | -168.9 | -176.3 | -171 | -175.9 | 0 | 106.8 | C89 V91 H195 L198 | C89-K116 WeakPolarHBondContact O-CE 3.34Å; V91-K116 HydrophobicContact CG2-CB 4.25Å; V91-K116 HydrophobicContact CG2-CD 4.3Å; V91-K116 HydrophobicContact CG2-CG 4.28Å; K116-H195 PolarHBondContact NZ-NE2 2.96Å; K116-L198 HydrophobicContact CB-CD1 4.31Å |
| 117 | R | 85.9 | Confident | 87.4 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -85.8 | 137.1 | 179.8 | -174.6 | 167.8 | 72.4 | 94.5 | -16.6 | 110 | E38 G86 P88 C89 Y115 E141 | E38-R117 WeakPolarHBondContact OE1-CD 3.36Å; G86-R117 PolarHBondContact O-NE 3.25Å; G86-R117 PolarHBondContact O-NH2 2.74Å; P88-R117 VanDerWaalsContact CG-CZ 3.41Å; C89-R117 PolarHBondContact N-O 3.23Å; Y115-R117 HydrophobicContact CD1-CB 4.48Å; Y115-R117 HydrophobicContact CE1-CB 3.88Å; Y115-R117 HydrophobicContact CE1-CG 4.37Å; R117-E141 IonicContact CZ-OE1 3.92Å; R117-E141 IonicContact CZ-OE2 3.52Å; R117-E141 IonicContact NH1-OE1 3.43Å; R117-E141 PolarHBondContact NH1-OE1 2.95Å; R117-E141 IonicContact NH1-OE2 2.68Å; R117-E141 PolarHBondContact NH1-OE2 2.99Å; R117-E141 IonicContact NH2-OE1 3.52Å; R117-E141 PolarHBondContact NH2-OE1 3.05Å; R117-E141 IonicContact NH2-OE2 2.72Å |
| 118 | V | 86.9 | Confident | 86.5 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.03 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -84.2 | 136 | 170.8 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | R120 N193 H195 L198 | V118-R120 PolarHBondContact O-N 3.06Å; V118-N193 HydrophobicContact CG1-CB 3.69Å; V118-H195 HydrophobicContact CG1-CB 4.08Å; V118-H195 HydrophobicContact CG2-CB 3.99Å; V118-L198 HydrophobicContact CG2-CB 3.49Å; V118-L198 VanDerWaalsContact CG2-CB 3.49Å; V118-L198 HydrophobicContact CG2-CD1 4.44Å |
| 119 | P | 88.8 | Confident | 85.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -48.6 | 135.2 | 175.4 | -28.5 | 32.8 | 0 | 0 | 0 | 112 | P88 C89 T142 C145 N193 S200 | P88-P119 HydrophobicContact CB-CB 4.2Å; P88-P119 HydrophobicContact CB-CG 3.77Å; C89-P119 VanDerWaalsContact SG-CG 3.54Å; P119-T142 HydrophobicContact CB-CG2 4.13Å; P119-T142 HydrophobicContact CG-CG2 4.26Å; P119-C145 WeakPolarHBondContact CD-SG 3.34Å; P119-N193 PolarHBondContact O-ND2 3.5Å; P119-S200 VanDerWaalsContact O-CB 3.23Å; P119-S200 WeakPolarHBondContact O-CB 3.35Å |
| 120 | R | 86.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 154.4 | 179.2 | -67.9 | 169.4 | -179 | 171 | -5.1 | 111.3 | E38 Q39 T40 V118 R140 E141 | E38-R120 IonicContact OE1-CZ 3.94Å; E38-R120 VanDerWaalsContact OE1-CZ 3.29Å; E38-R120 IonicContact OE1-NE 3.66Å; E38-R120 PolarHBondContact OE1-NE 3.22Å; E38-R120 IonicContact OE1-NH2 3.51Å; E38-R120 PolarHBondContact OE1-NH2 3.4Å; Q39-R120 PolarHBondContact O-NH2 2.94Å; T40-R120 PolarHBondContact O-NH1 2.68Å; V118-R120 PolarHBondContact O-N 3.06Å; R120-R140 WeakPolarHBondContact O-CA 2.76Å; R120-E141 HydrophobicContact CB-CB 4.33Å; R120-E141 PolarHBondContact N-OE2 3.44Å; R120-E141 PolarHBondContact O-N 3.01Å |
| 121 | I | 86.8 | Confident | 83.1 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131 | 167.5 | -65.9 | -176.3 | 0 | 0 | 0 | 108.4 | V124 W138 E139 T151 L191 N193 | I121-V124 HydrophobicContact CG2-CG2 3.56Å; I121-W138 HydrophobicContact CG2-CB 3.77Å; I121-W138 HydrophobicContact CG2-CG 4.2Å; I121-E139 WeakPolarHBondContact CA-O 3.25Å; I121-T151 HydrophobicContact CD1-CG2 3.82Å; I121-L191 HydrophobicContact CD1-CB 3.53Å; I121-L191 HydrophobicContact CG2-CB 4.34Å; I121-L191 HydrophobicContact CG2-CD2 4.49Å; I121-N193 VanDerWaalsContact CG1-ND2 3.32Å; I121-N193 WeakPolarHBondContact CG1-ND2 3.31Å |
| 122 | E | 85.9 | Confident | 82 | Confident | 69 Ų | 69 | 56.7 Ų | 56.7 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 167.7 | -178.5 | -60.7 | -167.3 | 161.8 | 0 | 0 | 110.3 | V124 E139 E141 | E122-V124 PolarHBondContact O-N 3.41Å; E122-E139 PolarHBondContact N-O 2.81Å; E122-E139 PolarHBondContact O-N 2.8Å; E122-E141 HydrophobicContact CG-CB 4.39Å |
| 123 | N | 86.4 | Confident | 81.2 | Confident | 92 Ų | 92 | 55 Ų | 55 | 49% | 0.492 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.8 | 46.2 | 172.5 | -57.4 | -30.3 | 0 | 0 | 0 | 113.8 | E125 E139 | N123-E125 PolarHBondContact O-N 2.86Å; N123-E139 HydrophobicContact CB-CB 4.16Å; N123-E139 HydrophobicContact CB-CG 4.04Å; N123-E139 PolarHBondContact ND2-OE2 3.34Å |
| 124 | V | 85 | Confident | 80.8 | Confident | 14 Ų | 14 | 54.8 Ų | 54.8 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 123 | 175.3 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | I121 E122 V136 S137 W138 L191 F208 | I121-V124 HydrophobicContact CG2-CG2 3.56Å; E122-V124 PolarHBondContact O-N 3.41Å; V124-V136 HydrophobicContact CG1-CG1 4.03Å; V124-S137 CarbonylContact C-O 3.59Å; V124-S137 VanDerWaalsContact CA-O 3.26Å; V124-S137 WeakPolarHBondContact CA-O 3.47Å; V124-W138 HydrophobicContact CG2-CB 4.05Å; V124-L191 HydrophobicContact CG1-CD1 4.21Å; V124-L191 HydrophobicContact CG1-CD2 4.26Å; V124-L191 HydrophobicContact CG2-CD2 4.41Å; V124-F208 HydrophobicContact CB-CD2 3.79Å; V124-F208 HydrophobicContact CB-CE1 4.36Å; V124-F208 HydrophobicContact CB-CE2 3.35Å; V124-F208 HydrophobicContact CB-CG 4.46Å; V124-F208 HydrophobicContact CB-CZ 3.68Å; V124-F208 HydrophobicContact CG1-CD2 4.05Å; V124-F208 HydrophobicContact CG1-CE2 4.13Å; V124-F208 HydrophobicContact CG1-CG 4.5Å; V124-F208 HydrophobicContact CG2-CD2 4.17Å; V124-F208 HydrophobicContact CG2-CE2 3.58Å; V124-F208 HydrophobicContact CG2-CZ 4.23Å; V124-F208 WeakPolarHBondContact O-CE1 3.34Å |
| 125 | E | 84.9 | Confident | 80.7 | Confident | 100 Ų | 100 | 52 Ų | 52 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.9 | 174.4 | -66.8 | -170.3 | 177.7 | 0 | 0 | 109.6 | N123 Q127 V136 S137 | N123-E125 PolarHBondContact O-N 2.86Å; E125-Q127 PolarHBondContact OE2-NE2 3.25Å; E125-V136 CarbonylContact O-C 3.6Å; E125-V136 WeakPolarHBondContact O-CA 3.47Å; E125-S137 PolarHBondContact N-O 2.71Å; E125-S137 PolarHBondContact O-N 3.15Å |
| 126 | I | 81.8 | Confident | 80.8 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 21% | 0.205 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 113.4 | 172.6 | -53.6 | 176.1 | 0 | 0 | 0 | 106.7 | P134 H135 V136 F189 F208 C210 | I126-P134 HydrophobicContact CG2-CB 4.45Å; I126-H135 WeakPolarHBondContact CA-O 3.31Å; I126-V136 HydrophobicContact CG1-CG1 4.4Å; I126-V136 HydrophobicContact CG1-CG2 4.27Å; I126-V136 HydrophobicContact CG2-CG2 4.41Å; I126-F189 HydrophobicContact CD1-CB 4.42Å; I126-F189 HydrophobicContact CD1-CD2 3.67Å; I126-F189 HydrophobicContact CD1-CE2 4.23Å; I126-F189 HydrophobicContact CD1-CG 4.24Å; I126-F208 HydrophobicContact CD1-CB 3.79Å; I126-C210 HydrophobicContact CD1-CB 4.46Å; I126-C210 HydrophobicContact CG2-CB 4.42Å |
| 127 | Q | 78.9 | Confident | 81 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.7 | 179.5 | -60.4 | -178.9 | 12.9 | 0 | 0 | 109 | E125 M129 H135 | E125-Q127 PolarHBondContact OE2-NE2 3.25Å; Q127-M129 HydrophobicContact CB-CE 4.15Å; Q127-M129 PolarHBondContact O-N 2.66Å; Q127-H135 PolarHBondContact N-O 2.74Å; Q127-H135 PolarHBondContact O-N 2.83Å |
| 128 | L | 77.1 | Confident | 81.3 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 38% | 0.377 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 118.4 | 167.3 | -116.7 | 90.2 | 0 | 0 | 0 | 109.1 | L132 L212 | L128-L132 HydrophobicContact CD2-CD2 4.1Å; L128-L212 HydrophobicContact CD1-CD1 4.08Å; L128-L212 HydrophobicContact CD1-CD2 3.81Å; L128-L212 HydrophobicContact CD1-CG 4.15Å; L128-L212 HydrophobicContact CD2-CD2 3.81Å; L128-L212 HydrophobicContact CG-CD2 4.47Å |
| 129 | M | 70.5 | Confident | 81.5 | Confident | 57 Ų | 57 | 54.7 Ų | 54.7 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | trans | -75.5 | 159 | 173.1 | -71.1 | -76.4 | 129.4 | 0 | 0 | 110.5 | Q127 N131 L132 Y133 H135 | Q127-M129 HydrophobicContact CB-CE 4.15Å; Q127-M129 PolarHBondContact O-N 2.66Å; M129-N131 WeakPolarHBondContact CB-OD1 3.36Å; M129-N131 PolarHBondContact O-N 2.92Å; M129-L132 WeakPolarHBondContact O-CA 3.26Å; M129-L132 PolarHBondContact O-N 3.03Å; M129-Y133 WeakPolarHBondContact CB-O 3.31Å; M129-Y133 PolarHBondContact N-O 3.3Å; M129-H135 HydrophobicContact CE-CB 3.93Å; M129-H135 HydrophobicContact CG-CB 3.79Å | ||
| 130 | P | 67.3 | Low | 81.5 | Confident | 131 Ų | 131 | 57.1 Ų | 57.1 | 85% | 0.851 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.3 | -178.5 | -25 | 33.6 | 0 | 0 | 0 | 114.8 | L132 | P130-L132 PolarHBondContact O-N 3.2Š|
| 131 | N | 68.5 | Low | 81.5 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 15.9 | 174.6 | 56 | -2.8 | 0 | 0 | 0 | 113.3 | M129 Y133 | M129-N131 WeakPolarHBondContact CB-OD1 3.36Å; M129-N131 PolarHBondContact O-N 2.92Å; N131-Y133 HydrophobicContact CB-CD2 4Å; N131-Y133 HydrophobicContact CB-CE2 4.13Å; N131-Y133 VanDerWaalsContact CG-CD2 3.41Å; N131-Y133 WeakPolarHBondContact ND2-CD2 3.49Å; N131-Y133 PolarHBondContact O-N 3.06Å |
| 132 | L | 68.9 | Low | 81.7 | Confident | 119 Ų | 119 | 61.3 Ų | 61.3 | 62% | 0.623 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 65 | 11.4 | 178 | -59.5 | 166.8 | 0 | 0 | 0 | 115.3 | L128 M129 P130 F179 | L128-L132 HydrophobicContact CD2-CD2 4.1Å; M129-L132 WeakPolarHBondContact O-CA 3.26Å; M129-L132 PolarHBondContact O-N 3.03Å; P130-L132 PolarHBondContact O-N 3.2Å; L132-F179 WeakPolarHBondContact O-CD1 3.46Å |
| 133 | Y | 72.5 | Confident | 81.9 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -90 | 133.1 | 174.6 | -58.8 | -56.8 | 0 | 0 | 0 | 111.1 | M129 N131 H135 A176 N177 F179 | M129-Y133 WeakPolarHBondContact CB-O 3.31Å; M129-Y133 PolarHBondContact N-O 3.3Å; N131-Y133 HydrophobicContact CB-CD2 4Å; N131-Y133 HydrophobicContact CB-CE2 4.13Å; N131-Y133 VanDerWaalsContact CG-CD2 3.41Å; N131-Y133 WeakPolarHBondContact ND2-CD2 3.49Å; N131-Y133 PolarHBondContact O-N 3.06Å; Y133-H135 PolarHBondContact O-N 3.29Å; Y133-A176 VanDerWaalsContact CD1-O 3.29Å; Y133-A176 WeakPolarHBondContact CD1-O 3.07Å; Y133-N177 WeakPolarHBondContact CE1-O 3.47Å; Y133-F179 HydrophobicContact CD1-CB 4.35Å |
| 134 | P | 76.7 | Confident | 82.2 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 126 | 168.9 | -11.5 | 21.6 | 0 | 0 | 0 | 109.8 | I126 A176 F179 E187 F189 | I126-P134 HydrophobicContact CG2-CB 4.45Å; P134-A176 HydrophobicContact CB-CB 4Å; P134-A176 HydrophobicContact CG-CB 3.88Å; P134-A176 WeakPolarHBondContact O-CB 3.29Å; P134-A176 PolarHBondContact O-N 2.9Å; P134-F179 HydrophobicContact CG-CB 4.21Å; P134-F179 HydrophobicContact CG-CD1 4.1Å; P134-F179 HydrophobicContact CG-CD2 4.07Å; P134-F179 HydrophobicContact CG-CE1 4.5Å; P134-F179 HydrophobicContact CG-CE2 4.5Å; P134-F179 HydrophobicContact CG-CG 3.86Å; P134-E187 WeakPolarHBondContact CG-OE2 3.43Å; P134-F189 HydrophobicContact CB-CZ 4.13Å; P134-F189 HydrophobicContact CG-CZ 4.44Å |
| 135 | H | 84.1 | Confident | 82.5 | Confident | 19 Ų | 19 | 60.1 Ų | 60.1 | 9% | 0.088 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.5 | 163.4 | 171.4 | -100.8 | 0 | 0 | 0 | 107.7 | I126 Q127 M129 Y133 Y175 | I126-H135 WeakPolarHBondContact CA-O 3.31Å; Q127-H135 PolarHBondContact N-O 2.74Å; Q127-H135 PolarHBondContact O-N 2.83Å; M129-H135 HydrophobicContact CE-CB 3.93Å; M129-H135 HydrophobicContact CG-CB 3.79Å; Y133-H135 PolarHBondContact O-N 3.29Å; H135-Y175 HydrophobicContact CB-CD1 4.41Å; H135-Y175 HydrophobicContact CB-CE1 4.42Å; H135-Y175 AromaticContact CD2-CD1 3.72Å; H135-Y175 AromaticContact CD2-CE1 3.27Å; H135-Y175 WeakPolarHBondContact CD2-CE1 3.42Å; H135-Y175 AromaticContact CD2-CZ 3.52Å; H135-Y175 AromaticContact NE2-CZ 3.89Å |
| 136 | V | 87.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.8 | 176.1 | -174 | 0 | 0 | 0 | 0 | 108.3 | V124 E125 I126 W138 K173 Y174 F189 L191 | V124-V136 HydrophobicContact CG1-CG1 4.03Å; E125-V136 CarbonylContact O-C 3.6Å; E125-V136 WeakPolarHBondContact O-CA 3.47Å; I126-V136 HydrophobicContact CG1-CG1 4.4Å; I126-V136 HydrophobicContact CG1-CG2 4.27Å; I126-V136 HydrophobicContact CG2-CG2 4.41Å; V136-W138 HydrophobicContact CG1-CE3 4.36Å; V136-K173 CarbonylContact O-C 3.56Å; V136-K173 VanDerWaalsContact O-CA 3.26Å; V136-K173 WeakPolarHBondContact O-CA 3.42Å; V136-Y174 PolarHBondContact N-O 2.85Å; V136-Y174 PolarHBondContact O-N 2.72Å; V136-F189 HydrophobicContact CG2-CD1 3.77Å; V136-F189 HydrophobicContact CG2-CE1 3.47Å; V136-F189 VanDerWaalsContact CG2-CE1 3.47Å; V136-F189 HydrophobicContact CG2-CE2 4.42Å; V136-F189 HydrophobicContact CG2-CG 4.35Å; V136-F189 HydrophobicContact CG2-CZ 3.84Å; V136-L191 HydrophobicContact CG1-CD2 4.34Å |
| 137 | S | 90.8 | Very high | 83.3 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 155 | 169.7 | 46 | 0 | 0 | 0 | 0 | 110.3 | V124 E125 A172 | V124-S137 CarbonylContact C-O 3.59Å; V124-S137 VanDerWaalsContact CA-O 3.26Å; V124-S137 WeakPolarHBondContact CA-O 3.47Å; E125-S137 PolarHBondContact N-O 2.71Å; E125-S137 PolarHBondContact O-N 3.15Å; S137-A172 VanDerWaalsContact CA-O 3.3Å; S137-A172 WeakPolarHBondContact CA-O 3.4Å |
| 138 | W | 91.4 | Very high | 84 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 3% | 0.027 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 158.3 | 179.3 | 63.2 | 92.5 | 0 | 0 | 0 | 110.8 | I121 V124 V136 T151 I153 F167 Q171 A172 L191 | I121-W138 HydrophobicContact CG2-CB 3.77Å; I121-W138 HydrophobicContact CG2-CG 4.2Å; V124-W138 HydrophobicContact CG2-CB 4.05Å; V136-W138 HydrophobicContact CG1-CE3 4.36Å; W138-T151 HydrophobicContact CZ2-CG2 3.77Å; W138-I153 HydrophobicContact CE3-CD1 4.32Å; W138-I153 HydrophobicContact CH2-CD1 3.88Å; W138-I153 HydrophobicContact CZ3-CD1 3.69Å; W138-F167 HydrophobicContact CH2-CD2 4.46Å; W138-Q171 VanDerWaalsContact CZ2-O 3.28Å; W138-Q171 WeakPolarHBondContact CZ2-O 3.38Å; W138-A172 PolarHBondContact N-O 2.82Å; W138-L191 HydrophobicContact CB-CD2 4.08Å; W138-L191 HydrophobicContact CD2-CD2 3.9Å; W138-L191 HydrophobicContact CE3-CD2 3.81Å; W138-L191 HydrophobicContact CG-CD2 4.02Å |
| 139 | E | 91.2 | Very high | 84.7 | Confident | 111 Ų | 111 | 61.5 Ų | 61.5 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 169 | 170.8 | -62.8 | -176.2 | 173.9 | 0 | 0 | 110 | I121 E122 N123 | I121-E139 WeakPolarHBondContact CA-O 3.25Å; E122-E139 PolarHBondContact N-O 2.81Å; E122-E139 PolarHBondContact O-N 2.8Å; N123-E139 HydrophobicContact CB-CB 4.16Å; N123-E139 HydrophobicContact CB-CG 4.04Å; N123-E139 PolarHBondContact ND2-OE2 3.34Å |
| 140 | R | 88.7 | Confident | 85.8 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.8 | 168.5 | -62.2 | -172.6 | -164.2 | 84.5 | 10.6 | 108.7 | R120 T142 T151 S169 Q171 N193 | R120-R140 WeakPolarHBondContact O-CA 2.76Å; R140-T142 WeakPolarHBondContact CB-O 3.22Å; R140-T142 PolarHBondContact O-N 2.9Å; R140-T142 VanDerWaalsContact O-N 3.1Å; R140-T151 PolarHBondContact NH2-OG1 2.97Å; R140-S169 PolarHBondContact NH1-O 2.85Å; R140-S169 PolarHBondContact NH2-O 3.23Å; R140-Q171 PolarHBondContact NH2-O 2.89Å; R140-N193 PolarHBondContact NE-OD1 3.48Å; R140-N193 VanDerWaalsContact NE-OD1 3.09Å |
| 141 | E | 87.6 | Confident | 86.9 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -50.4 | -33.9 | 171.8 | -178.8 | -173.2 | -173.2 | 0 | 0 | 112 | R117 R120 E122 | R117-E141 IonicContact CZ-OE1 3.92Å; R117-E141 IonicContact CZ-OE2 3.52Å; R117-E141 IonicContact NH1-OE1 3.43Å; R117-E141 PolarHBondContact NH1-OE1 2.95Å; R117-E141 IonicContact NH1-OE2 2.68Å; R117-E141 PolarHBondContact NH1-OE2 2.99Å; R117-E141 IonicContact NH2-OE1 3.52Å; R117-E141 PolarHBondContact NH2-OE1 3.05Å; R117-E141 IonicContact NH2-OE2 2.72Å; R120-E141 HydrophobicContact CB-CB 4.33Å; R120-E141 PolarHBondContact N-OE2 3.44Å; R120-E141 PolarHBondContact O-N 3.01Å; E122-E141 HydrophobicContact CG-CB 4.39Å |
| 142 | T | 90.1 | Very high | 87.9 | Confident | 50 Ų | 50 | 48.7 Ų | 48.7 | 31% | 0.307 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -154.1 | 172.2 | 176.6 | 150.7 | 0 | 0 | 0 | 0 | 110.1 | P88 P119 R140 | P88-T142 HydrophobicContact CB-CG2 3.47Å; P88-T142 VanDerWaalsContact CB-CG2 3.47Å; P88-T142 HydrophobicContact CG-CG2 3.32Å; P119-T142 HydrophobicContact CB-CG2 4.13Å; P119-T142 HydrophobicContact CG-CG2 4.26Å; R140-T142 WeakPolarHBondContact CB-O 3.22Å; R140-T142 PolarHBondContact O-N 2.9Å; R140-T142 VanDerWaalsContact O-N 3.1Å |
| 143 | S | 91.1 | Very high | 88.7 | Confident | 91 Ų | 91 | 43 Ų | 43 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | trans | -53.1 | 154.9 | 170.6 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 144 | A | 92.5 | Very high | 89.3 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | trans | -55.5 | 149.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D149 | A144-D149 HydrophobicContact CB-CB 4.07Š| ||
| 145 | C | 91 | Very high | 89.5 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -70.7 | -40.3 | 178.2 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | C89 P119 D149 | C89-C145 WeakPolarHBondContact CA-SG 3.38Å; C89-C145 HydrophobicContact CB-CB 3.63Å; C89-C145 WeakPolarHBondContact CB-SG 3.17Å; C89-C145 WeakPolarHBondContact SG-CA 2.93Å; C89-C145 WeakPolarHBondContact SG-CB 3.32Å; C89-C145 PolarHBondContact SG-N 2.98Å; C89-C145 CovalentContact SG-SG 2.04Å; C89-C145 PolarHBondContact SG-SG 3.29Å; P119-C145 WeakPolarHBondContact CD-SG 3.34Å; C145-D149 WeakPolarHBondContact CA-OD2 3.22Å; C145-D149 WeakPolarHBondContact CB-OD2 3.39Å; C145-D149 PolarHBondContact N-OD2 3.15Å |
| 146 | E | 92.9 | Very high | 89.2 | Confident | 92 Ų | 92 | 42.4 Ų | 42.4 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -138.3 | 156.9 | 175 | -65.2 | -171 | -176.6 | 0 | 0 | 111 | T148 D149 | E146-T148 PolarHBondContact O-N 2.86Å; E146-T148 VanDerWaalsContact O-N 3.17Å; E146-D149 PolarHBondContact N-OD2 2.79Å; E146-D149 VanDerWaalsContact O-CB 3.23Å; E146-D149 WeakPolarHBondContact O-CB 3.49Å; E146-D149 PolarHBondContact O-N 3.3Å |
| 147 | S | 90.7 | Very high | 88.9 | Confident | 115 Ų | 115 | 44.1 Ų | 44.1 | 80% | 0.804 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19 | 176.3 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | D149 | S147-D149 VanDerWaalsContact C-N 3.28Š|
| 148 | T | 92.7 | Very high | 88.2 | Confident | 107 Ų | 107 | 46 Ų | 46 | 66% | 0.656 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -7.2 | 176.6 | 46.9 | 0 | 0 | 0 | 0 | 113.1 | E146 | E146-T148 PolarHBondContact O-N 2.86Å; E146-T148 VanDerWaalsContact O-N 3.17Å |
| 149 | D | 92.9 | Very high | 87.4 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.053 | 30% | 0.298 | C | S | . | . | trans | -63.5 | 154.9 | 176.6 | -64.3 | -3.8 | 0 | 0 | 0 | 110.4 | A144 C145 E146 S147 S169 E194 H195 | A144-D149 HydrophobicContact CB-CB 4.07Å; C145-D149 WeakPolarHBondContact CA-OD2 3.22Å; C145-D149 WeakPolarHBondContact CB-OD2 3.39Å; C145-D149 PolarHBondContact N-OD2 3.15Å; E146-D149 PolarHBondContact N-OD2 2.79Å; E146-D149 VanDerWaalsContact O-CB 3.23Å; E146-D149 WeakPolarHBondContact O-CB 3.49Å; E146-D149 PolarHBondContact O-N 3.3Å; S147-D149 VanDerWaalsContact C-N 3.28Å; D149-S169 WeakPolarHBondContact O-CB 2.84Å; D149-S169 PolarHBondContact O-N 2.84Å; D149-S169 PolarHBondContact O-OG 2.94Å; D149-S169 VanDerWaalsContact O-OG 3.07Å; D149-E194 WeakPolarHBondContact CA-O 3.04Å; D149-E194 WeakPolarHBondContact CB-O 3.44Å; D149-H195 IonicContact OD1-CE1 2.68Å; D149-H195 IonicContact OD1-CG 3.74Å; D149-H195 IonicContact OD1-ND1 2.81Å; D149-H195 PolarHBondContact OD1-ND1 2.84Å; D149-H195 IonicContact OD2-CG 2.69Å; D149-H195 IonicContact OD2-ND1 3.18Å; D149-H195 PolarHBondContact OD2-ND1 2.75Å | ||
| 150 | S | 92.9 | Very high | 86.7 | Confident | 12 Ų | 12 | 51.1 Ų | 51.1 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 156.2 | -174.8 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | F167 N193 E194 | S150-F167 CarbonylContact C-O 3.49Å; S150-F167 WeakPolarHBondContact CA-O 3.27Å; S150-F167 WeakPolarHBondContact CB-O 3.35Å; S150-N193 CarbonylContact O-C 3.56Å; S150-N193 WeakPolarHBondContact O-CA 3.43Å; S150-E194 PolarHBondContact N-O 2.83Å; S150-E194 VanDerWaalsContact N-O 3.09Å; S150-E194 PolarHBondContact O-N 2.91Å; S150-E194 WeakPolarHBondContact OG-CB 3.5Å; S150-E194 PolarHBondContact OG-OE2 3.29Å |
| 151 | T | 90.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.9 | 163.9 | -63.1 | 0 | 0 | 0 | 0 | 108 | I121 W138 R140 I153 F167 F192 N193 | I121-T151 HydrophobicContact CD1-CG2 3.82Å; W138-T151 HydrophobicContact CZ2-CG2 3.77Å; R140-T151 PolarHBondContact NH2-OG1 2.97Å; T151-I153 HydrophobicContact CG2-CG1 4.35Å; T151-F167 PolarHBondContact N-O 3.47Å; T151-F167 PolarHBondContact O-N 2.99Å; T151-F192 CarbonylContact C-O 3.57Å; T151-F192 WeakPolarHBondContact CA-O 3.34Å; T151-N193 PolarHBondContact OG1-OD1 2.85Å |
| 152 | I | 88.6 | Confident | 86 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.9 | 174.9 | -56.1 | -176.3 | 0 | 0 | 0 | 108.7 | F154 M164 F165 I166 L191 F192 E194 F199 | I152-F154 HydrophobicContact CG2-CD2 3.98Å; I152-F154 HydrophobicContact CG2-CE2 3.58Å; I152-F154 HydrophobicContact CG2-CZ 4.15Å; I152-M164 HydrophobicContact CG2-CG 3.61Å; I152-M164 HydrophobicContact CG2-SD 4.15Å; I152-F165 CarbonylContact C-O 3.54Å; I152-F165 WeakPolarHBondContact CA-O 3.36Å; I152-I166 HydrophobicContact CG1-CG1 4.44Å; I152-L191 CarbonylContact O-C 3.59Å; I152-L191 WeakPolarHBondContact O-CA 3.45Å; I152-F192 PolarHBondContact N-O 2.96Å; I152-F192 PolarHBondContact O-N 3.44Å; I152-E194 HydrophobicContact CD1-CB 3.96Å; I152-E194 HydrophobicContact CD1-CG 4.47Å; I152-E194 HydrophobicContact CG1-CB 4.21Å; I152-F199 HydrophobicContact CD1-CD1 4.15Å; I152-F199 HydrophobicContact CD1-CE1 3.54Å |
| 153 | I | 85.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119.2 | 171.9 | -51.8 | -169.9 | 0 | 0 | 0 | 108.2 | W138 T151 R155 M164 F165 F167 Y174 F189 I190 L191 | W138-I153 HydrophobicContact CE3-CD1 4.32Å; W138-I153 HydrophobicContact CH2-CD1 3.88Å; W138-I153 HydrophobicContact CZ3-CD1 3.69Å; T151-I153 HydrophobicContact CG2-CG1 4.35Å; I153-R155 HydrophobicContact CG2-CB 4.31Å; I153-M164 CarbonylContact O-C 3.57Å; I153-F165 HydrophobicContact CB-CB 4.43Å; I153-F165 PolarHBondContact N-O 2.91Å; I153-F165 PolarHBondContact O-N 3.04Å; I153-F167 HydrophobicContact CB-CE2 4.15Å; I153-F167 HydrophobicContact CD1-CD2 3.93Å; I153-F167 HydrophobicContact CD1-CE2 3.6Å; I153-F167 HydrophobicContact CG1-CD2 3.91Å; I153-F167 HydrophobicContact CG1-CE2 3.75Å; I153-Y174 HydrophobicContact CD1-CD1 4.39Å; I153-F189 HydrophobicContact CG2-CD1 4.12Å; I153-I190 WeakPolarHBondContact CA-O 3.21Å; I153-L191 HydrophobicContact CD1-CD2 4.02Å; I153-L191 HydrophobicContact CD1-CG 4.21Å; I153-L191 HydrophobicContact CG1-CD2 4.24Å; I153-L191 HydrophobicContact CG1-CG 3.98Å; I153-L191 HydrophobicContact CG2-CG 4.3Å |
| 154 | F | 85.2 | Confident | 85.5 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.6 | 161.4 | -66.3 | -92 | 0 | 0 | 0 | 108.7 | I152 L162 R163 M164 F189 I190 F192 | I152-F154 HydrophobicContact CG2-CD2 3.98Å; I152-F154 HydrophobicContact CG2-CE2 3.58Å; I152-F154 HydrophobicContact CG2-CZ 4.15Å; F154-L162 HydrophobicContact CB-CB 3.98Å; F154-L162 HydrophobicContact CB-CD1 3.93Å; F154-L162 HydrophobicContact CD1-CB 4.44Å; F154-R163 CarbonylContact C-O 3.58Å; F154-R163 WeakPolarHBondContact CA-O 3.42Å; F154-M164 HydrophobicContact CD1-CB 4.06Å; F154-M164 HydrophobicContact CD1-CG 4.37Å; F154-M164 HydrophobicContact CE1-CB 3.79Å; F154-M164 HydrophobicContact CE1-CG 3.87Å; F154-M164 HydrophobicContact CE1-SD 4.16Å; F154-M164 HydrophobicContact CZ-CB 4.41Å; F154-M164 HydrophobicContact CZ-CG 3.97Å; F154-M164 HydrophobicContact CZ-SD 3.97Å; F154-F189 CarbonylContact O-C 3.56Å; F154-F189 WeakPolarHBondContact O-CA 3.42Å; F154-I190 HydrophobicContact CB-CB 4.25Å; F154-I190 PolarHBondContact N-O 3.13Å; F154-I190 PolarHBondContact O-N 3.35Å; F154-F192 AromaticContact CD2-CD2 3.94Å; F154-F192 HydrophobicContact CD2-CD2 3.94Å; F154-F192 AromaticContact CD2-CE2 3.59Å; F154-F192 HydrophobicContact CD2-CE2 3.59Å; F154-F192 HydrophobicContact CE2-CD2 4.04Å; F154-F192 AromaticContact CE2-CE2 3.85Å; F154-F192 HydrophobicContact CE2-CE2 3.85Å |
| 155 | R | 82.2 | Confident | 85.2 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 5% | 0.049 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.5 | -175.7 | 173 | -170 | 175.9 | -137.5 | -19 | 111 | I153 L162 R163 F165 Y174 A176 D178 E187 V188 F189 | I153-R155 HydrophobicContact CG2-CB 4.31Å; R155-L162 CarbonylContact O-C 3.42Å; R155-L162 WeakPolarHBondContact O-CA 3.26Å; R155-R163 PolarHBondContact N-O 2.71Å; R155-R163 PolarHBondContact O-N 3.34Å; R155-F165 HydrophobicContact CB-CD2 4.2Å; R155-F165 HydrophobicContact CB-CE2 3.94Å; R155-Y174 PolarHBondContact NH1-OH 2.92Å; R155-A176 VanDerWaalsContact NH1-CB 3.3Å; R155-D178 IonicContact CZ-OD1 2.71Å; R155-D178 IonicContact NH1-OD1 3.68Å; R155-D178 PolarHBondContact NH1-OD1 2.68Å; R155-D178 IonicContact NH2-OD1 2.82Å; R155-E187 HydrophobicContact CG-CG 4.45Å; R155-E187 IonicContact CZ-OE1 3.45Å; R155-E187 IonicContact NE-OE1 3.76Å; R155-E187 PolarHBondContact NE-OE1 2.75Å; R155-E187 IonicContact NH2-OE1 3.62Å; R155-E187 PolarHBondContact NH2-OE1 2.78Å; R155-V188 WeakPolarHBondContact CA-O 3.45Å; R155-F189 HydrophobicContact CB-CD1 4.12Å; R155-F189 HydrophobicContact CB-CE1 4.24Å; R155-F189 VanDerWaalsContact CD-CE1 3.46Å; R155-F189 HydrophobicContact CG-CD1 3.95Å; R155-F189 HydrophobicContact CG-CE1 3.61Å; R155-F189 HydrophobicContact CG-CZ 4.09Å |
| 156 | G | 78.4 | Confident | 85.2 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 13% | 0.134 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.5 | -169.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E187 V188 | G156-E187 WeakPolarHBondContact O-CA 3.39Å; G156-V188 PolarHBondContact N-O 2.97Å; G156-V188 PolarHBondContact O-N 2.81Å |
| 157 | F | 79.8 | Confident | 85.1 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 143.8 | 176.6 | -59.1 | -66 | 0 | 0 | 0 | 110.9 | T159 Q160 F179 M185 E186 | F157-T159 PolarHBondContact O-N 3.01Å; F157-Q160 HydrophobicContact CB-CB 4.33Å; F157-Q160 HydrophobicContact CB-CG 4.2Å; F157-Q160 PolarHBondContact O-N 3.14Å; F157-F179 HydrophobicContact CE1-CE2 4.4Å; F157-M185 HydrophobicContact CB-SD 4.18Å; F157-M185 HydrophobicContact CD1-CB 3.52Å; F157-M185 HydrophobicContact CD1-CG 4.33Å; F157-M185 HydrophobicContact CD1-SD 3.92Å; F157-M185 HydrophobicContact CD2-SD 3.97Å; F157-M185 HydrophobicContact CE1-CB 3.75Å; F157-M185 HydrophobicContact CE1-SD 4.27Å; F157-M185 HydrophobicContact CE2-SD 4.32Å; F157-M185 HydrophobicContact CG-CB 4.26Å; F157-M185 HydrophobicContact CG-SD 3.74Å; F157-M185 HydrophobicContact CZ-SD 4.45Å; F157-E186 WeakPolarHBondContact CA-O 3.34Å |
| 158 | S | 75.7 | Confident | 85.2 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21 | -177.7 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | E186 | S158-E186 PolarHBondContact N-O 3.44Å; S158-E186 PolarHBondContact OG-OE2 2.71Å |
| 159 | T | 75.4 | Confident | 85.1 | Confident | 117 Ų | 117 | 57.7 Ų | 57.7 | 72% | 0.718 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -0.8 | 178.7 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | F157 | F157-T159 PolarHBondContact O-N 3.01Š|
| 160 | Q | 75.8 | Confident | 84.9 | Confident | 108 Ų | 108 | 64 Ų | 64 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -126.2 | 166.8 | -172.9 | -61.4 | -175.9 | 12.1 | 0 | 0 | 112.1 | F157 L162 | F157-Q160 HydrophobicContact CB-CB 4.33Å; F157-Q160 HydrophobicContact CB-CG 4.2Å; F157-Q160 PolarHBondContact O-N 3.14Å; Q160-L162 PolarHBondContact O-N 3.28Å |
| 161 | H | 79.5 | Confident | 84.9 | Confident | 187 Ų | 187 | 66.5 Ų | 66.5 | 87% | 0.866 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 129.4 | 170.4 | -71.5 | -63 | 0 | 0 | 0 | 110.5 | ||
| 162 | L | 81.8 | Confident | 84.9 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 137.9 | 177.3 | -51.3 | 177.4 | 0 | 0 | 0 | 110 | F154 R155 Q160 I190 | F154-L162 HydrophobicContact CB-CB 3.98Å; F154-L162 HydrophobicContact CB-CD1 3.93Å; F154-L162 HydrophobicContact CD1-CB 4.44Å; R155-L162 CarbonylContact O-C 3.42Å; R155-L162 WeakPolarHBondContact O-CA 3.26Å; Q160-L162 PolarHBondContact O-N 3.28Å; L162-I190 HydrophobicContact CD1-CD1 3.25Å; L162-I190 HydrophobicContact CD1-CG1 4.46Å |
| 163 | R | 83.9 | Confident | 85.1 | Confident | 167 Ų | 167 | 73.6 Ų | 73.6 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.7 | 170.2 | -66.7 | -178.7 | -177.2 | 173.6 | 1.6 | 109.3 | F154 R155 F165 D178 | F154-R163 CarbonylContact C-O 3.58Å; F154-R163 WeakPolarHBondContact CA-O 3.42Å; R155-R163 PolarHBondContact N-O 2.71Å; R155-R163 PolarHBondContact O-N 3.34Å; R163-F165 HydrophobicContact CB-CD2 4.42Å; R163-F165 HydrophobicContact CB-CE2 3.6Å; R163-F165 HydrophobicContact CB-CZ 4Å; R163-D178 IonicContact NH1-OD2 2.97Å; R163-D178 PolarHBondContact NH1-OD2 2.89Å |
| 164 | M | 87.3 | Confident | 85.2 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 131.9 | 176.6 | -173.5 | -178.1 | 68.1 | 0 | 0 | 109.8 | I152 I153 F154 I166 | I152-M164 HydrophobicContact CG2-CG 3.61Å; I152-M164 HydrophobicContact CG2-SD 4.15Å; I153-M164 CarbonylContact O-C 3.57Å; F154-M164 HydrophobicContact CD1-CB 4.06Å; F154-M164 HydrophobicContact CD1-CG 4.37Å; F154-M164 HydrophobicContact CE1-CB 3.79Å; F154-M164 HydrophobicContact CE1-CG 3.87Å; F154-M164 HydrophobicContact CE1-SD 4.16Å; F154-M164 HydrophobicContact CZ-CB 4.41Å; F154-M164 HydrophobicContact CZ-CG 3.97Å; F154-M164 HydrophobicContact CZ-SD 3.97Å; M164-I166 HydrophobicContact CE-CD1 3.92Å; M164-I166 HydrophobicContact CE-CG1 4.28Å; M164-I166 HydrophobicContact CG-CG1 4.46Å |
| 165 | F | 87 | Confident | 85.3 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135.3 | 173.8 | -59.7 | -93.1 | 0 | 0 | 0 | 108.2 | I152 I153 R155 R163 F167 | I152-F165 CarbonylContact C-O 3.54Å; I152-F165 WeakPolarHBondContact CA-O 3.36Å; I153-F165 HydrophobicContact CB-CB 4.43Å; I153-F165 PolarHBondContact N-O 2.91Å; I153-F165 PolarHBondContact O-N 3.04Å; R155-F165 HydrophobicContact CB-CD2 4.2Å; R155-F165 HydrophobicContact CB-CE2 3.94Å; R163-F165 HydrophobicContact CB-CD2 4.42Å; R163-F165 HydrophobicContact CB-CE2 3.6Å; R163-F165 HydrophobicContact CB-CZ 4Å; F165-F167 HydrophobicContact CB-CD2 4.44Å; F165-F167 HydrophobicContact CB-CE2 3.5Å; F165-F167 HydrophobicContact CB-CZ 3.76Å |
| 166 | I | 90.7 | Very high | 85.1 | Confident | 99 Ų | 99 | 76.2 Ų | 76.2 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.4 | -178.8 | -54.3 | 177.2 | 0 | 0 | 0 | 107.6 | I152 M164 | I152-I166 HydrophobicContact CG1-CG1 4.44Å; M164-I166 HydrophobicContact CE-CD1 3.92Å; M164-I166 HydrophobicContact CE-CG1 4.28Å; M164-I166 HydrophobicContact CG-CG1 4.46Å |
| 167 | F | 91.2 | Very high | 84.9 | Confident | 24 Ų | 24 | 80.7 Ų | 80.7 | 11% | 0.105 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 147.5 | 179.6 | -59.5 | -79 | 0 | 0 | 0 | 110.4 | W138 S150 T151 I153 F165 Q171 Y174 | W138-F167 HydrophobicContact CH2-CD2 4.46Å; S150-F167 CarbonylContact C-O 3.49Å; S150-F167 WeakPolarHBondContact CA-O 3.27Å; S150-F167 WeakPolarHBondContact CB-O 3.35Å; T151-F167 PolarHBondContact N-O 3.47Å; T151-F167 PolarHBondContact O-N 2.99Å; I153-F167 HydrophobicContact CB-CE2 4.15Å; I153-F167 HydrophobicContact CD1-CD2 3.93Å; I153-F167 HydrophobicContact CD1-CE2 3.6Å; I153-F167 HydrophobicContact CG1-CD2 3.91Å; I153-F167 HydrophobicContact CG1-CE2 3.75Å; F165-F167 HydrophobicContact CB-CD2 4.44Å; F165-F167 HydrophobicContact CB-CE2 3.5Å; F165-F167 HydrophobicContact CB-CZ 3.76Å; F167-Q171 HydrophobicContact CB-CB 4.3Å; F167-Q171 VanDerWaalsContact CD1-NE2 3.28Å; F167-Y174 AromaticContact CE1-CD2 3.64Å; F167-Y174 HydrophobicContact CE1-CD2 3.64Å; F167-Y174 HydrophobicContact CE1-CE2 4.22Å; F167-Y174 HydrophobicContact CE1-CG 4.3Å; F167-Y174 HydrophobicContact CE2-CD2 4.25Å; F167-Y174 HydrophobicContact CE2-CG 4.26Å; F167-Y174 HydrophobicContact CZ-CD1 4.41Å; F167-Y174 AromaticContact CZ-CD2 3.24Å; F167-Y174 HydrophobicContact CZ-CD2 3.24Å; F167-Y174 AromaticContact CZ-CE2 3.68Å; F167-Y174 HydrophobicContact CZ-CE2 3.68Å; F167-Y174 AromaticContact CZ-CG 3.67Å; F167-Y174 HydrophobicContact CZ-CG 3.67Å |
| 168 | P | 92.9 | Very high | 84.5 | Confident | 71 Ų | 71 | 83 Ų | 83 | 46% | 0.461 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 152.2 | 169.5 | -22.7 | 35 | 0 | 0 | 0 | 112.2 | D170 Q171 | P168-D170 WeakPolarHBondContact CB-OD1 3.2Å; P168-D170 PolarHBondContact O-N 3.03Å; P168-Q171 WeakPolarHBondContact O-CB 3.4Å; P168-Q171 PolarHBondContact O-N 2.83Å |
| 169 | S | 89.5 | Confident | 84 | Confident | 13 Ų | 13 | 80.7 Ų | 80.7 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17 | 178.9 | 50 | 0 | 0 | 0 | 0 | 115.4 | R140 D149 Q171 | R140-S169 PolarHBondContact NH1-O 2.85Å; R140-S169 PolarHBondContact NH2-O 3.23Å; D149-S169 WeakPolarHBondContact O-CB 2.84Å; D149-S169 PolarHBondContact O-N 2.84Å; D149-S169 PolarHBondContact O-OG 2.94Å; D149-S169 VanDerWaalsContact O-OG 3.07Å; S169-Q171 VanDerWaalsContact C-N 3.29Å |
| 170 | D | 90.2 | Very high | 83.5 | Confident | 142 Ų | 142 | 83.4 Ų | 83.4 | 76% | 0.759 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.2 | 173 | 65.4 | -28.1 | 0 | 0 | 0 | 112.7 | P168 | P168-D170 WeakPolarHBondContact CB-OD1 3.2Å; P168-D170 PolarHBondContact O-N 3.03Å |
| 171 | Q | 92.6 | Very high | 82.8 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | trans | -84.2 | 135.5 | 175.4 | -166.7 | 168.9 | -19.7 | 0 | 0 | 111.2 | W138 R140 F167 P168 S169 K173 | W138-Q171 VanDerWaalsContact CZ2-O 3.28Å; W138-Q171 WeakPolarHBondContact CZ2-O 3.38Å; R140-Q171 PolarHBondContact NH2-O 2.89Å; F167-Q171 HydrophobicContact CB-CB 4.3Å; F167-Q171 VanDerWaalsContact CD1-NE2 3.28Å; P168-Q171 WeakPolarHBondContact O-CB 3.4Å; P168-Q171 PolarHBondContact O-N 2.83Å; S169-Q171 VanDerWaalsContact C-N 3.29Å; Q171-K173 WeakPolarHBondContact CG-O 3.38Å; Q171-K173 PolarHBondContact NE2-O 2.76Å | ||
| 172 | A | 91.1 | Very high | 81.8 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | trans | -131.5 | 9.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S137 W138 | S137-A172 VanDerWaalsContact CA-O 3.3Å; S137-A172 WeakPolarHBondContact CA-O 3.4Å; W138-A172 PolarHBondContact N-O 2.82Å | ||
| 173 | K | 91.7 | Very high | 80.7 | Confident | 110 Ų | 110 | 78 Ų | 78 | 48% | 0.478 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 147.6 | -179.1 | 61.4 | -178.1 | 176.1 | 179.9 | 0 | 112.3 | V136 Q171 Y175 | V136-K173 CarbonylContact O-C 3.56Å; V136-K173 VanDerWaalsContact O-CA 3.26Å; V136-K173 WeakPolarHBondContact O-CA 3.42Å; Q171-K173 WeakPolarHBondContact CG-O 3.38Å; Q171-K173 PolarHBondContact NE2-O 2.76Å; K173-Y175 HydrophobicContact CD-CE2 4.24Å |
| 174 | Y | 87.5 | Confident | 79.9 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 9% | 0.09 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 134.3 | -179.3 | 168.8 | -118.7 | 0 | 0 | 0 | 110.1 | V136 I153 R155 F167 A176 | V136-Y174 PolarHBondContact N-O 2.85Å; V136-Y174 PolarHBondContact O-N 2.72Å; I153-Y174 HydrophobicContact CD1-CD1 4.39Å; R155-Y174 PolarHBondContact NH1-OH 2.92Å; F167-Y174 AromaticContact CE1-CD2 3.64Å; F167-Y174 HydrophobicContact CE1-CD2 3.64Å; F167-Y174 HydrophobicContact CE1-CE2 4.22Å; F167-Y174 HydrophobicContact CE1-CG 4.3Å; F167-Y174 HydrophobicContact CE2-CD2 4.25Å; F167-Y174 HydrophobicContact CE2-CG 4.26Å; F167-Y174 HydrophobicContact CZ-CD1 4.41Å; F167-Y174 AromaticContact CZ-CD2 3.24Å; F167-Y174 HydrophobicContact CZ-CD2 3.24Å; F167-Y174 AromaticContact CZ-CE2 3.68Å; F167-Y174 HydrophobicContact CZ-CE2 3.68Å; F167-Y174 AromaticContact CZ-CG 3.67Å; F167-Y174 HydrophobicContact CZ-CG 3.67Å; Y174-A176 HydrophobicContact CE1-CB 3.88Å |
| 175 | Y | 86.5 | Confident | 79 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.1 | 175.5 | -62.6 | -90 | 0 | 0 | 0 | 109.1 | H135 K173 N177 | H135-Y175 HydrophobicContact CB-CD1 4.41Å; H135-Y175 HydrophobicContact CB-CE1 4.42Å; H135-Y175 AromaticContact CD2-CD1 3.72Å; H135-Y175 AromaticContact CD2-CE1 3.27Å; H135-Y175 WeakPolarHBondContact CD2-CE1 3.42Å; H135-Y175 AromaticContact CD2-CZ 3.52Å; H135-Y175 AromaticContact NE2-CZ 3.89Å; K173-Y175 HydrophobicContact CD-CE2 4.24Å; Y175-N177 WeakPolarHBondContact CB-OD1 3.39Å; Y175-N177 PolarHBondContact O-N 3.47Å; Y175-N177 PolarHBondContact O-OD1 2.93Å |
| 176 | A | 78.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | trans | -87.9 | 78.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y133 P134 R155 Y174 D178 | Y133-A176 VanDerWaalsContact CD1-O 3.29Å; Y133-A176 WeakPolarHBondContact CD1-O 3.07Å; P134-A176 HydrophobicContact CB-CB 4Å; P134-A176 HydrophobicContact CG-CB 3.88Å; P134-A176 WeakPolarHBondContact O-CB 3.29Å; P134-A176 PolarHBondContact O-N 2.9Å; R155-A176 VanDerWaalsContact NH1-CB 3.3Å; Y174-A176 HydrophobicContact CE1-CB 3.88Å; A176-D178 VanDerWaalsContact C-N 3.29Å; A176-D178 PolarHBondContact O-N 3.15Å | ||
| 177 | N | 75.1 | Confident | 77.5 | Confident | 107 Ų | 107 | 68 Ų | 68 | 57% | 0.572 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -10.1 | -171.4 | -56.2 | -11 | 0 | 0 | 0 | 114.7 | Y133 Y175 | Y133-N177 WeakPolarHBondContact CE1-O 3.47Å; Y175-N177 WeakPolarHBondContact CB-OD1 3.39Å; Y175-N177 PolarHBondContact O-N 3.47Å; Y175-N177 PolarHBondContact O-OD1 2.93Å |
| 178 | D | 70.5 | Confident | 77 | Confident | 83 Ų | 83 | 67.3 Ų | 67.3 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 31.1 | -178.2 | 61.5 | -30.7 | 0 | 0 | 0 | 112.3 | R155 R163 A176 | R155-D178 IonicContact CZ-OD1 2.71Å; R155-D178 IonicContact NH1-OD1 3.68Å; R155-D178 PolarHBondContact NH1-OD1 2.68Å; R155-D178 IonicContact NH2-OD1 2.82Å; R163-D178 IonicContact NH1-OD2 2.97Å; R163-D178 PolarHBondContact NH1-OD2 2.89Å; A176-D178 VanDerWaalsContact C-N 3.29Å; A176-D178 PolarHBondContact O-N 3.15Å |
| 179 | F | 65.8 | Low | 76.5 | Confident | 16 Ų | 16 | 64 Ų | 64 | 7% | 0.07 | 35% | 0.346 | C | S | . | . | trans | -86 | 112.9 | -179 | -172.2 | -115.7 | 0 | 0 | 0 | 112.2 | L132 Y133 P134 F157 P181 E187 L212 | L132-F179 WeakPolarHBondContact O-CD1 3.46Å; Y133-F179 HydrophobicContact CD1-CB 4.35Å; P134-F179 HydrophobicContact CG-CB 4.21Å; P134-F179 HydrophobicContact CG-CD1 4.1Å; P134-F179 HydrophobicContact CG-CD2 4.07Å; P134-F179 HydrophobicContact CG-CE1 4.5Å; P134-F179 HydrophobicContact CG-CE2 4.5Å; P134-F179 HydrophobicContact CG-CG 3.86Å; F157-F179 HydrophobicContact CE1-CE2 4.4Å; F179-P181 HydrophobicContact CD1-CB 4.47Å; F179-P181 HydrophobicContact CD1-CG 3.99Å; F179-P181 HydrophobicContact CE1-CB 3.57Å; F179-P181 VanDerWaalsContact CE1-CD 3.47Å; F179-P181 HydrophobicContact CE1-CG 3.39Å; F179-P181 HydrophobicContact CE2-CB 4.33Å; F179-P181 HydrophobicContact CZ-CB 3.48Å; F179-P181 VanDerWaalsContact CZ-CB 3.48Å; F179-P181 HydrophobicContact CZ-CG 3.88Å; F179-E187 WeakPolarHBondContact CD2-OE1 3.46Å; F179-E187 WeakPolarHBondContact CD2-OE2 3.25Å; F179-E187 HydrophobicContact CE2-CB 4.2Å; F179-E187 VanDerWaalsContact CE2-CD 3.48Å; F179-E187 HydrophobicContact CE2-CG 4.36Å; F179-E187 WeakPolarHBondContact CE2-OE2 3.34Å; F179-L212 HydrophobicContact CE1-CD1 3.42Å; F179-L212 VanDerWaalsContact CE1-CD1 3.42Å; F179-L212 HydrophobicContact CE2-CD1 4.45Å; F179-L212 HydrophobicContact CZ-CD1 3.23Å | ||
| 180 | E | 64.3 | Low | 76.2 | Confident | 173 Ų | 173 | 64 Ų | 64 | 81% | 0.808 | 35% | 0.346 | S | S | * | . | trans | -119.3 | 94.6 | 166.4 | -72.9 | -172.2 | 176.5 | 0 | 0 | 109 | G182 | E180-G182 PolarHBondContact O-N 3.06Š| ||
| 181 | P | 61 | Low | 76.1 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 123.2 | 179.9 | 22.6 | -26.2 | 0 | 0 | 0 | 110.8 | F179 I214 | F179-P181 HydrophobicContact CD1-CB 4.47Å; F179-P181 HydrophobicContact CD1-CG 3.99Å; F179-P181 HydrophobicContact CE1-CB 3.57Å; F179-P181 VanDerWaalsContact CE1-CD 3.47Å; F179-P181 HydrophobicContact CE1-CG 3.39Å; F179-P181 HydrophobicContact CE2-CB 4.33Å; F179-P181 HydrophobicContact CZ-CB 3.48Å; F179-P181 VanDerWaalsContact CZ-CB 3.48Å; F179-P181 HydrophobicContact CZ-CG 3.88Å; P181-I214 HydrophobicContact CG-CD1 4.4Å |
| 182 | G | 58.6 | Low | 75.8 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 27% | 0.268 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 142.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E180 G184 M185 | E180-G182 PolarHBondContact O-N 3.06Å; G182-G184 PolarHBondContact O-N 3.38Å; G182-M185 WeakPolarHBondContact O-CB 3.41Å; G182-M185 PolarHBondContact O-N 3.16Å |
| 183 | E | 59.2 | Low | 75.6 | Confident | 155 Ų | 155 | 53.4 Ų | 53.4 | 72% | 0.724 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 125.5 | 177.3 | -150.3 | 174.2 | -148.6 | 0 | 0 | 110.1 | M185 | E183-M185 VanDerWaalsContact C-N 3.34Å; E183-M185 PolarHBondContact O-N 2.85Å |
| 184 | G | 66.2 | Low | 75.5 | Confident | 79 Ų | 79 | 50.4 Ų | 50.4 | 81% | 0.814 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 6.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G182 | G182-G184 PolarHBondContact O-N 3.38Š|
| 185 | M | 67.9 | Low | 75.4 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 132.4 | 174.1 | -60.5 | -141.9 | -156.9 | 0 | 0 | 112 | F157 G182 E183 | F157-M185 HydrophobicContact CB-SD 4.18Å; F157-M185 HydrophobicContact CD1-CB 3.52Å; F157-M185 HydrophobicContact CD1-CG 4.33Å; F157-M185 HydrophobicContact CD1-SD 3.92Å; F157-M185 HydrophobicContact CD2-SD 3.97Å; F157-M185 HydrophobicContact CE1-CB 3.75Å; F157-M185 HydrophobicContact CE1-SD 4.27Å; F157-M185 HydrophobicContact CE2-SD 4.32Å; F157-M185 HydrophobicContact CG-CB 4.26Å; F157-M185 HydrophobicContact CG-SD 3.74Å; F157-M185 HydrophobicContact CZ-SD 4.45Å; G182-M185 WeakPolarHBondContact O-CB 3.41Å; G182-M185 PolarHBondContact O-N 3.16Å; E183-M185 VanDerWaalsContact C-N 3.34Å; E183-M185 PolarHBondContact O-N 2.85Å |
| 186 | E | 72.2 | Confident | 75.3 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 116.5 | 175.3 | -178 | -176.2 | -150.6 | 0 | 0 | 108.8 | F157 S158 V188 S209 F211 | F157-E186 WeakPolarHBondContact CA-O 3.34Å; S158-E186 PolarHBondContact N-O 3.44Å; S158-E186 PolarHBondContact OG-OE2 2.71Å; E186-V188 HydrophobicContact CG-CG2 4.48Å; E186-S209 WeakPolarHBondContact OE1-CB 3.26Å; E186-S209 PolarHBondContact OE1-OG 3.31Å; E186-F211 VanDerWaalsContact OE1-CE2 3.31Å; E186-F211 WeakPolarHBondContact OE1-CE2 3.29Å; E186-F211 WeakPolarHBondContact OE1-CZ 3.38Å |
| 187 | E | 75.2 | Confident | 75.2 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 132 | 171.4 | -166.7 | 174.7 | -142.3 | 0 | 0 | 109.3 | P134 R155 G156 F179 F189 C210 | P134-E187 WeakPolarHBondContact CG-OE2 3.43Å; R155-E187 HydrophobicContact CG-CG 4.45Å; R155-E187 IonicContact CZ-OE1 3.45Å; R155-E187 IonicContact NE-OE1 3.76Å; R155-E187 PolarHBondContact NE-OE1 2.75Å; R155-E187 IonicContact NH2-OE1 3.62Å; R155-E187 PolarHBondContact NH2-OE1 2.78Å; G156-E187 WeakPolarHBondContact O-CA 3.39Å; F179-E187 WeakPolarHBondContact CD2-OE1 3.46Å; F179-E187 WeakPolarHBondContact CD2-OE2 3.25Å; F179-E187 HydrophobicContact CE2-CB 4.2Å; F179-E187 VanDerWaalsContact CE2-CD 3.48Å; F179-E187 HydrophobicContact CE2-CG 4.36Å; F179-E187 WeakPolarHBondContact CE2-OE2 3.34Å; E187-F189 HydrophobicContact CB-CE2 4.26Å; E187-F189 VanDerWaalsContact CD-CZ 3.45Å; E187-F189 HydrophobicContact CG-CD2 4.32Å; E187-F189 HydrophobicContact CG-CE2 3.63Å; E187-F189 HydrophobicContact CG-CZ 3.99Å; E187-F189 WeakPolarHBondContact OE2-CE2 3.47Å; E187-F189 VanDerWaalsContact OE2-CZ 3.26Å; E187-F189 WeakPolarHBondContact OE2-CZ 3.21Å; E187-C210 PolarHBondContact O-N 2.79Å |
| 188 | V | 79.3 | Confident | 75.4 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.9 | -177.4 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | R155 G156 E186 I190 | R155-V188 WeakPolarHBondContact CA-O 3.45Å; G156-V188 PolarHBondContact N-O 2.97Å; G156-V188 PolarHBondContact O-N 2.81Å; E186-V188 HydrophobicContact CG-CG2 4.48Å; V188-I190 HydrophobicContact CG1-CD1 3.89Å; V188-I190 HydrophobicContact CG1-CG1 3.82Å |
| 189 | F | 82.7 | Confident | 75.8 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.8 | 171.4 | -64.1 | -98.2 | 0 | 0 | 0 | 108.9 | I126 P134 V136 I153 F154 R155 E187 L191 | I126-F189 HydrophobicContact CD1-CB 4.42Å; I126-F189 HydrophobicContact CD1-CD2 3.67Å; I126-F189 HydrophobicContact CD1-CE2 4.23Å; I126-F189 HydrophobicContact CD1-CG 4.24Å; P134-F189 HydrophobicContact CB-CZ 4.13Å; P134-F189 HydrophobicContact CG-CZ 4.44Å; V136-F189 HydrophobicContact CG2-CD1 3.77Å; V136-F189 HydrophobicContact CG2-CE1 3.47Å; V136-F189 VanDerWaalsContact CG2-CE1 3.47Å; V136-F189 HydrophobicContact CG2-CE2 4.42Å; V136-F189 HydrophobicContact CG2-CG 4.35Å; V136-F189 HydrophobicContact CG2-CZ 3.84Å; I153-F189 HydrophobicContact CG2-CD1 4.12Å; F154-F189 CarbonylContact O-C 3.56Å; F154-F189 WeakPolarHBondContact O-CA 3.42Å; R155-F189 HydrophobicContact CB-CD1 4.12Å; R155-F189 HydrophobicContact CB-CE1 4.24Å; R155-F189 VanDerWaalsContact CD-CE1 3.46Å; R155-F189 HydrophobicContact CG-CD1 3.95Å; R155-F189 HydrophobicContact CG-CE1 3.61Å; R155-F189 HydrophobicContact CG-CZ 4.09Å; E187-F189 HydrophobicContact CB-CE2 4.26Å; E187-F189 VanDerWaalsContact CD-CZ 3.45Å; E187-F189 HydrophobicContact CG-CD2 4.32Å; E187-F189 HydrophobicContact CG-CE2 3.63Å; E187-F189 HydrophobicContact CG-CZ 3.99Å; E187-F189 WeakPolarHBondContact OE2-CE2 3.47Å; E187-F189 VanDerWaalsContact OE2-CZ 3.26Å; E187-F189 WeakPolarHBondContact OE2-CZ 3.21Å; F189-L191 HydrophobicContact CB-CD1 3.83Å |
| 190 | I | 84.1 | Confident | 76.3 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 111.8 | 178.8 | -51.3 | 152.1 | 0 | 0 | 0 | 106.8 | F4 I153 F154 L162 V188 F192 | F4-I190 HydrophobicContact CE1-CB 4.31Å; F4-I190 HydrophobicContact CE1-CD1 3.37Å; F4-I190 HydrophobicContact CE1-CG1 4.06Å; F4-I190 HydrophobicContact CE1-CG2 3.67Å; F4-I190 HydrophobicContact CE2-CG2 4.3Å; F4-I190 HydrophobicContact CZ-CB 4.08Å; F4-I190 HydrophobicContact CZ-CD1 3.31Å; F4-I190 HydrophobicContact CZ-CG1 3.63Å; F4-I190 HydrophobicContact CZ-CG2 3.36Å; I153-I190 WeakPolarHBondContact CA-O 3.21Å; F154-I190 HydrophobicContact CB-CB 4.25Å; F154-I190 PolarHBondContact N-O 3.13Å; F154-I190 PolarHBondContact O-N 3.35Å; L162-I190 HydrophobicContact CD1-CD1 3.25Å; L162-I190 HydrophobicContact CD1-CG1 4.46Å; V188-I190 HydrophobicContact CG1-CD1 3.89Å; V188-I190 HydrophobicContact CG1-CG1 3.82Å; I190-F192 HydrophobicContact CB-CE2 4.1Å; I190-F192 HydrophobicContact CB-CZ 4.42Å; I190-F192 HydrophobicContact CG2-CD2 4.22Å; I190-F192 HydrophobicContact CG2-CE1 4.08Å; I190-F192 HydrophobicContact CG2-CE2 3.25Å; I190-F192 HydrophobicContact CG2-CZ 3.18Å |
| 191 | L | 87.5 | Confident | 76.4 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.7 | -172.5 | -62.2 | 78.3 | 0 | 0 | 0 | 109.7 | I121 V124 V136 W138 I152 I153 F189 | I121-L191 HydrophobicContact CD1-CB 3.53Å; I121-L191 HydrophobicContact CG2-CB 4.34Å; I121-L191 HydrophobicContact CG2-CD2 4.49Å; V124-L191 HydrophobicContact CG1-CD1 4.21Å; V124-L191 HydrophobicContact CG1-CD2 4.26Å; V124-L191 HydrophobicContact CG2-CD2 4.41Å; V136-L191 HydrophobicContact CG1-CD2 4.34Å; W138-L191 HydrophobicContact CB-CD2 4.08Å; W138-L191 HydrophobicContact CD2-CD2 3.9Å; W138-L191 HydrophobicContact CE3-CD2 3.81Å; W138-L191 HydrophobicContact CG-CD2 4.02Å; I152-L191 CarbonylContact O-C 3.59Å; I152-L191 WeakPolarHBondContact O-CA 3.45Å; I153-L191 HydrophobicContact CD1-CD2 4.02Å; I153-L191 HydrophobicContact CD1-CG 4.21Å; I153-L191 HydrophobicContact CG1-CD2 4.24Å; I153-L191 HydrophobicContact CG1-CG 3.98Å; I153-L191 HydrophobicContact CG2-CG 4.3Å; F189-L191 HydrophobicContact CB-CD1 3.83Å |
| 192 | F | 86.2 | Confident | 76.2 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 142.8 | 174 | -46.9 | -93.8 | 0 | 0 | 0 | 109.2 | F4 T151 I152 F154 I190 S200 P202 | F4-F192 HydrophobicContact CD1-CZ 4.49Å; F4-F192 HydrophobicContact CE1-CZ 4.25Å; T151-F192 CarbonylContact C-O 3.57Å; T151-F192 WeakPolarHBondContact CA-O 3.34Å; I152-F192 PolarHBondContact N-O 2.96Å; I152-F192 PolarHBondContact O-N 3.44Å; F154-F192 AromaticContact CD2-CD2 3.94Å; F154-F192 HydrophobicContact CD2-CD2 3.94Å; F154-F192 AromaticContact CD2-CE2 3.59Å; F154-F192 HydrophobicContact CD2-CE2 3.59Å; F154-F192 HydrophobicContact CE2-CD2 4.04Å; F154-F192 AromaticContact CE2-CE2 3.85Å; F154-F192 HydrophobicContact CE2-CE2 3.85Å; I190-F192 HydrophobicContact CB-CE2 4.1Å; I190-F192 HydrophobicContact CB-CZ 4.42Å; I190-F192 HydrophobicContact CG2-CD2 4.22Å; I190-F192 HydrophobicContact CG2-CE1 4.08Å; I190-F192 HydrophobicContact CG2-CE2 3.25Å; I190-F192 HydrophobicContact CG2-CZ 3.18Å; F192-S200 VanDerWaalsContact CD1-O 3.3Å; F192-S200 WeakPolarHBondContact CD1-O 3.38Å; F192-P202 HydrophobicContact CD1-CG 4.38Å; F192-P202 HydrophobicContact CE1-CB 4.47Å; F192-P202 HydrophobicContact CE1-CG 3.75Å |
| 193 | N | 87.8 | Confident | 75.8 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 141 | 160.1 | -67.8 | -45.5 | 0 | 0 | 0 | 108.6 | V118 P119 I121 R140 S150 T151 F199 S200 | V118-N193 HydrophobicContact CG1-CB 3.69Å; P119-N193 PolarHBondContact O-ND2 3.5Å; I121-N193 VanDerWaalsContact CG1-ND2 3.32Å; I121-N193 WeakPolarHBondContact CG1-ND2 3.31Å; R140-N193 PolarHBondContact NE-OD1 3.48Å; R140-N193 VanDerWaalsContact NE-OD1 3.09Å; S150-N193 CarbonylContact O-C 3.56Å; S150-N193 WeakPolarHBondContact O-CA 3.43Å; T151-N193 PolarHBondContact OG1-OD1 2.85Å; N193-F199 CarbonylContact O-C 3.6Å; N193-F199 VanDerWaalsContact O-CA 3.28Å; N193-F199 WeakPolarHBondContact O-CA 3.45Å; N193-S200 PolarHBondContact N-OG 3Å; N193-S200 PolarHBondContact O-N 3.19Å |
| 194 | E | 88.2 | Confident | 74.9 | Confident | 47 Ų | 47 | 42.1 Ų | 42.1 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.3 | 173 | 167 | -173.8 | -128.4 | 0 | 0 | 108.6 | D149 S150 I152 L198 F199 | D149-E194 WeakPolarHBondContact CA-O 3.04Å; D149-E194 WeakPolarHBondContact CB-O 3.44Å; S150-E194 PolarHBondContact N-O 2.83Å; S150-E194 VanDerWaalsContact N-O 3.09Å; S150-E194 PolarHBondContact O-N 2.91Å; S150-E194 WeakPolarHBondContact OG-CB 3.5Å; S150-E194 PolarHBondContact OG-OE2 3.29Å; I152-E194 HydrophobicContact CD1-CB 3.96Å; I152-E194 HydrophobicContact CD1-CG 4.47Å; I152-E194 HydrophobicContact CG1-CB 4.21Å; E194-L198 WeakPolarHBondContact CA-O 3.35Å; E194-F199 HydrophobicContact CB-CD1 3.79Å; E194-F199 HydrophobicContact CB-CE1 3.74Å; E194-F199 HydrophobicContact CG-CD1 4.2Å; E194-F199 HydrophobicContact CG-CE1 3.74Å; E194-F199 HydrophobicContact CG-CZ 4.46Å |
| 195 | H | 87.1 | Confident | 73.1 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 116.5 | 174.6 | 171.6 | 64.4 | 0 | 0 | 0 | 108.1 | K116 V118 D149 N197 L198 | K116-H195 PolarHBondContact NZ-NE2 2.96Å; V118-H195 HydrophobicContact CG1-CB 4.08Å; V118-H195 HydrophobicContact CG2-CB 3.99Å; D149-H195 IonicContact OD1-CE1 2.68Å; D149-H195 IonicContact OD1-CG 3.74Å; D149-H195 IonicContact OD1-ND1 2.81Å; D149-H195 PolarHBondContact OD1-ND1 2.84Å; D149-H195 IonicContact OD2-CG 2.69Å; D149-H195 IonicContact OD2-ND1 3.18Å; D149-H195 PolarHBondContact OD2-ND1 2.75Å; H195-N197 PolarHBondContact O-N 3.01Å; H195-L198 PolarHBondContact N-O 3.37Å; H195-L198 WeakPolarHBondContact O-CB 3.35Å; H195-L198 PolarHBondContact O-N 2.79Å |
| 196 | E | 83.6 | Confident | 71.6 | Confident | 123 Ų | 123 | 41.2 Ų | 41.2 | 58% | 0.575 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | -97.3 | -173.4 | -59.4 | 173.7 | -176.5 | 0 | 0 | 113.2 | ||
| 197 | N | 77.4 | Confident | 70.1 | Confident | 72 Ų | 72 | 42.6 Ų | 42.6 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 21.2 | 178.5 | 64.9 | -120.9 | 0 | 0 | 0 | 111.7 | K20 H195 | K20-N197 WeakPolarHBondContact CD-ND2 3.42Å; K20-N197 VanDerWaalsContact NZ-CG 3.32Å; K20-N197 PolarHBondContact NZ-OD1 3.24Å; H195-N197 PolarHBondContact O-N 3.01Å |
| 198 | L | 77.6 | Confident | 68.5 | Low | 39 Ų | 39 | 44.8 Ų | 44.8 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 149 | -176.7 | -57.3 | 173.1 | 0 | 0 | 0 | 109.3 | K116 V118 E194 H195 | K116-L198 HydrophobicContact CB-CD1 4.31Å; V118-L198 HydrophobicContact CG2-CB 3.49Å; V118-L198 VanDerWaalsContact CG2-CB 3.49Å; V118-L198 HydrophobicContact CG2-CD1 4.44Å; E194-L198 WeakPolarHBondContact CA-O 3.35Å; H195-L198 PolarHBondContact N-O 3.37Å; H195-L198 WeakPolarHBondContact O-CB 3.35Å; H195-L198 PolarHBondContact O-N 2.79Å |
| 199 | F | 79.5 | Confident | 66.4 | Low | 78 Ų | 78 | 47 Ų | 47 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 140.7 | 174.6 | -58.1 | -79.2 | 0 | 0 | 0 | 109.4 | I152 N193 E194 | I152-F199 HydrophobicContact CD1-CD1 4.15Å; I152-F199 HydrophobicContact CD1-CE1 3.54Å; N193-F199 CarbonylContact O-C 3.6Å; N193-F199 VanDerWaalsContact O-CA 3.28Å; N193-F199 WeakPolarHBondContact O-CA 3.45Å; E194-F199 HydrophobicContact CB-CD1 3.79Å; E194-F199 HydrophobicContact CB-CE1 3.74Å; E194-F199 HydrophobicContact CG-CD1 4.2Å; E194-F199 HydrophobicContact CG-CE1 3.74Å; E194-F199 HydrophobicContact CG-CZ 4.46Å |
| 200 | S | 77 | Confident | 64.1 | Low | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 136.8 | 167.6 | 67.8 | 0 | 0 | 0 | 0 | 108.8 | P119 F192 N193 | P119-S200 VanDerWaalsContact O-CB 3.23Å; P119-S200 WeakPolarHBondContact O-CB 3.35Å; F192-S200 VanDerWaalsContact CD1-O 3.3Å; F192-S200 WeakPolarHBondContact CD1-O 3.38Å; N193-S200 PolarHBondContact N-OG 3Å; N193-S200 PolarHBondContact O-N 3.19Å |
| 201 | L | 66.6 | Low | 61.5 | Low | 32 Ų | 32 | 54.8 Ų | 54.8 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 140.5 | 170.7 | -77.6 | 166.5 | 0 | 0 | 0 | 110.5 | Y18 E38 T203 | Y18-L201 HydrophobicContact CD1-CD2 3.45Å; Y18-L201 VanDerWaalsContact CD1-CD2 3.45Å; Y18-L201 HydrophobicContact CE1-CD2 3.92Å; Y18-L201 HydrophobicContact CG-CD2 3.83Å; E38-L201 HydrophobicContact CB-CD1 3.4Å; E38-L201 VanDerWaalsContact CB-CD1 3.4Å; L201-T203 PolarHBondContact O-N 3.07Å |
| 202 | P | 56.9 | Low | 58.8 | Low | 43 Ų | 43 | 56 Ų | 56 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 127.4 | 173.5 | 27.5 | -28 | 0 | 0 | 0 | 107.5 | F192 M204 | F192-P202 HydrophobicContact CD1-CG 4.38Å; F192-P202 HydrophobicContact CE1-CB 4.47Å; F192-P202 HydrophobicContact CE1-CG 3.75Å; P202-M204 PolarHBondContact O-N 3.03Å; P202-M204 VanDerWaalsContact O-N 3.15Å |
| 203 | T | 48.8 | Very low | 55.9 | Low | 29 Ų | 29 | 60.9 Ų | 60.9 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 122.1 | 177.8 | -42.5 | 0 | 0 | 0 | 0 | 108.6 | T40 L201 G205 N206 | T40-T203 HydrophobicContact CG2-CG2 4.45Å; T40-T203 WeakPolarHBondContact OG1-CG2 2.83Å; L201-T203 PolarHBondContact O-N 3.07Å; T203-G205 VanDerWaalsContact C-N 3.34Å; T203-G205 PolarHBondContact O-N 3.3Å; T203-N206 PolarHBondContact O-N 2.87Å |
| 204 | M | 40.4 | Very low | 52.9 | Low | 157 Ų | 157 | 65.2 Ų | 65.2 | 77% | 0.773 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 97.1 | 178.2 | -114.2 | -158.9 | -75.5 | 0 | 0 | 108.8 | P202 | P202-M204 PolarHBondContact O-N 3.03Å; P202-M204 VanDerWaalsContact O-N 3.15Å |
| 205 | G | 29.7 | Very low | 49.8 | Very low | 69 Ų | 69 | 70.2 Ų | 70.2 | 71% | 0.711 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 154.6 | -28.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T203 | T203-G205 VanDerWaalsContact C-N 3.34Å; T203-G205 PolarHBondContact O-N 3.3Å |
| 206 | N | 34.9 | Very low | 46.7 | Very low | 67 Ų | 67 | 79.5 Ų | 79.5 | 36% | 0.358 | 42% | 0.416 | S | S | . | . | trans | -114.8 | 45.2 | -171.8 | -86.1 | 1 | 0 | 0 | 0 | 113 | T203 F208 | T203-N206 PolarHBondContact O-N 2.87Å; N206-F208 HydrophobicContact CB-CD2 4.2Å; N206-F208 HydrophobicContact CB-CE2 3.37Å; N206-F208 HydrophobicContact CB-CZ 3.74Å; N206-F208 VanDerWaalsContact O-CD2 3.23Å; N206-F208 WeakPolarHBondContact O-CD2 3.34Å; N206-F208 WeakPolarHBondContact O-CE2 3.49Å; N206-F208 PolarHBondContact O-N 2.82Å; N206-F208 WeakPolarHBondContact OD1-CZ 3.45Å | ||
| 207 | I | 40.5 | Very low | 43.8 | Very low | 75 Ų | 75 | 82.8 Ų | 82.8 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | trans | -82.1 | 101.7 | 159.6 | -62.3 | 176.3 | 0 | 0 | 0 | 105.8 | I2 S209 | I2-I207 HydrophobicContact CB-CD1 3.97Å; I2-I207 HydrophobicContact CD1-CD1 3.87Å; I2-I207 HydrophobicContact CD1-CG2 3.68Å; I2-I207 HydrophobicContact CG1-CD1 4.43Å; I207-S209 PolarHBondContact O-N 2.85Å | ||
| 208 | F | 42 | Very low | 41.4 | Very low | 54 Ų | 54 | 91.8 Ų | 91.8 | 24% | 0.237 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 104.2 | 179.8 | -63.7 | -83.2 | 0 | 0 | 0 | 109.3 | V124 I126 N206 | V124-F208 HydrophobicContact CB-CD2 3.79Å; V124-F208 HydrophobicContact CB-CE1 4.36Å; V124-F208 HydrophobicContact CB-CE2 3.35Å; V124-F208 HydrophobicContact CB-CG 4.46Å; V124-F208 HydrophobicContact CB-CZ 3.68Å; V124-F208 HydrophobicContact CG1-CD2 4.05Å; V124-F208 HydrophobicContact CG1-CE2 4.13Å; V124-F208 HydrophobicContact CG1-CG 4.5Å; V124-F208 HydrophobicContact CG2-CD2 4.17Å; V124-F208 HydrophobicContact CG2-CE2 3.58Å; V124-F208 HydrophobicContact CG2-CZ 4.23Å; V124-F208 WeakPolarHBondContact O-CE1 3.34Å; I126-F208 HydrophobicContact CD1-CB 3.79Å; N206-F208 HydrophobicContact CB-CD2 4.2Å; N206-F208 HydrophobicContact CB-CE2 3.37Å; N206-F208 HydrophobicContact CB-CZ 3.74Å; N206-F208 VanDerWaalsContact O-CD2 3.23Å; N206-F208 WeakPolarHBondContact O-CD2 3.34Å; N206-F208 WeakPolarHBondContact O-CE2 3.49Å; N206-F208 PolarHBondContact O-N 2.82Å; N206-F208 WeakPolarHBondContact OD1-CZ 3.45Å |
| 209 | S | 35.8 | Very low | 39.6 | Very low | 55 Ų | 55 | 94.4 Ų | 94.4 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 114.9 | 168.3 | 14.1 | 0 | 0 | 0 | 0 | 109.4 | E186 I207 F211 | E186-S209 WeakPolarHBondContact OE1-CB 3.26Å; E186-S209 PolarHBondContact OE1-OG 3.31Å; I207-S209 PolarHBondContact O-N 2.85Å; S209-F211 PolarHBondContact O-N 2.78Å |
| 210 | C | 33.8 | Very low | 37.5 | Very low | 25 Ų | 25 | 95.3 Ų | 95.3 | 17% | 0.169 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 98.4 | 176.1 | -158.7 | 0 | 0 | 0 | 0 | 108.6 | I126 E187 L212 | I126-C210 HydrophobicContact CD1-CB 4.46Å; I126-C210 HydrophobicContact CG2-CB 4.42Å; E187-C210 PolarHBondContact O-N 2.79Å; C210-L212 PolarHBondContact O-N 3.28Å |
| 211 | F | 29.5 | Very low | 35.3 | Very low | 155 Ų | 155 | 100.4 Ų | 100.4 | 68% | 0.68 | 51% | 0.511 | S | S | * | . | trans | -76 | 102.5 | 171.6 | -81 | -86.1 | 0 | 0 | 0 | 109.7 | E186 S209 C213 | E186-F211 VanDerWaalsContact OE1-CE2 3.31Å; E186-F211 WeakPolarHBondContact OE1-CE2 3.29Å; E186-F211 WeakPolarHBondContact OE1-CZ 3.38Å; S209-F211 PolarHBondContact O-N 2.78Å; F211-C213 PolarHBondContact O-N 3.38Å | ||
| 212 | L | 32 | Very low | 33.5 | Very low | 39 Ų | 39 | 104.5 Ų | 104.5 | 20% | 0.204 | 53% | 0.532 | C | S | . | . | trans | -84.5 | 87.6 | 165.8 | -91 | 155.3 | 0 | 0 | 0 | 109.5 | L128 F179 C210 I214 | L128-L212 HydrophobicContact CD1-CD1 4.08Å; L128-L212 HydrophobicContact CD1-CD2 3.81Å; L128-L212 HydrophobicContact CD1-CG 4.15Å; L128-L212 HydrophobicContact CD2-CD2 3.81Å; L128-L212 HydrophobicContact CG-CD2 4.47Å; F179-L212 HydrophobicContact CE1-CD1 3.42Å; F179-L212 VanDerWaalsContact CE1-CD1 3.42Å; F179-L212 HydrophobicContact CE2-CD1 4.45Å; F179-L212 HydrophobicContact CZ-CD1 3.23Å; C210-L212 PolarHBondContact O-N 3.28Å; L212-I214 VanDerWaalsContact C-N 3.35Å; L212-I214 PolarHBondContact O-N 3.11Å; L212-I214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | C | 24.6 | Very low | 32 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 74% | 0.736 | 55% | 0.547 | S | S | * | . | trans | -74.5 | 94.3 | 156.9 | -83.4 | 0 | 0 | 0 | 0 | 108 | F211 E215 | F211-C213 PolarHBondContact O-N 3.38Å; C213-E215 PolarHBondContact O-N 3.21Å | ||
| 214 | I | 24.6 | Very low | 30.9 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | trans | -72.9 | 78.6 | 158.8 | -56.1 | 176.1 | 0 | 0 | 0 | 106.1 | P181 L212 R216 | P181-I214 HydrophobicContact CG-CD1 4.4Å; L212-I214 VanDerWaalsContact C-N 3.35Å; L212-I214 PolarHBondContact O-N 3.11Å; L212-I214 VanDerWaalsContact O-N 3.16Å; I214-R216 PolarHBondContact O-N 3.45Å | ||
| 215 | E | 24.2 | Very low | 30.2 | Very low | 153 Ų | 153 | 110.5 Ų | 110.5 | 72% | 0.715 | 56% | 0.558 | S | S | * | * | trans | -71 | 110 | 158.7 | -85.1 | -164.3 | 158.3 | 0 | 0 | 107 | C213 F217 | C213-E215 PolarHBondContact O-N 3.21Å; E215-F217 PolarHBondContact O-N 3.03Å | ||
| 216 | R | 20.7 | Very low | 30.2 | Very low | 195 Ų | 195 | 113.7 Ų | 113.7 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | trans | -41.1 | 108.2 | 167.5 | -74 | 177 | 174.3 | -178.5 | -2.3 | 110.4 | I214 | I214-R216 PolarHBondContact O-N 3.45Š| ||
| 217 | F | 22.5 | Very low | 29.9 | Very low | 193 Ų | 193 | 117.6 Ų | 117.6 | 85% | 0.846 | 56% | 0.561 | S | S | * | * | trans | -103.6 | 90.1 | 150.6 | -83 | -85.1 | 0 | 0 | 0 | 107.3 | E215 | E215-F217 PolarHBondContact O-N 3.03Š| ||
| 218 | F | 28 | Very low | 28.9 | Very low | 260 Ų | 260 | 121.5 Ų | 121.5 | 100% | 1.14 | 58% | 0.577 | S | S | * | * | trans | -90.8 | 0 | 151.6 | -98.1 | -82.8 | 0 | 0 | 0 | 108.2 |
Retrieved 218 of 218 residues in 186.2 ms
(Link to these results)