| 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 | 43.4 | Very low | 51.5 | Low | 87 Ų | 87 | 72.6 Ų | 72.6 | 43% | 0.429 | 44% | 0.442 | S | S | . | . | 0 | -45.9 | 0 | -64.9 | -156.2 | -145.1 | 0 | 0 | 112.5 | R72 N237 | M1-R72 PolarHBondContact SD-NH1 2.93Å; M1-N237 HydrophobicContact CE-CB 4.39Å; M1-N237 WeakPolarHBondContact CE-O 3.44Å; M1-N237 HydrophobicContact CG-CB 4.35Å | |||
| 2 | G | 43.5 | Very low | 52.2 | Low | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -77.6 | -15.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | Q4 L5 F172 F188 | G2-Q4 PolarHBondContact O-N 3.07Å; G2-Q4 VanDerWaalsContact O-N 3.08Å; G2-L5 WeakPolarHBondContact O-CB 3.43Å; G2-L5 PolarHBondContact O-N 3.05Å; G2-F172 WeakPolarHBondContact CA-O 3.39Å; G2-F188 VanDerWaalsContact O-CZ 3.29Å; G2-F188 WeakPolarHBondContact O-CZ 3.2Å |
| 3 | N | 52.2 | Low | 53.4 | Low | 64 Ų | 64 | 81.9 Ų | 81.9 | 34% | 0.342 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -63.3 | -18.8 | -178.5 | -69.9 | 16.5 | 0 | 0 | 0 | 113.4 | L5 P174 D184 | N3-L5 VanDerWaalsContact C-N 3.26Å; N3-L5 PolarHBondContact O-N 3.44Å; N3-P174 WeakPolarHBondContact OD1-CB 3.26Å; N3-P174 WeakPolarHBondContact OD1-CG 3.45Å; N3-D184 PolarHBondContact ND2-OD2 3.19Å |
| 4 | Q | 52.3 | Low | 54.9 | Low | 119 Ų | 119 | 83.2 Ų | 83.2 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -71.7 | -19.1 | 172.7 | -67.1 | 173.1 | -14.9 | 0 | 0 | 112.7 | G2 L64 | G2-Q4 PolarHBondContact O-N 3.07Å; G2-Q4 VanDerWaalsContact O-N 3.08Å; Q4-L64 WeakPolarHBondContact O-CD2 3.49Å |
| 5 | L | 53.7 | Low | 56.6 | Low | 5 Ų | 5 | 82.2 Ų | 82.2 | 3% | 0.026 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -92.5 | 7.2 | -177.8 | -57.8 | 171.8 | 0 | 0 | 0 | 113 | G2 N3 G7 F39 L64 L66 F172 | G2-L5 WeakPolarHBondContact O-CB 3.43Å; G2-L5 PolarHBondContact O-N 3.05Å; N3-L5 VanDerWaalsContact C-N 3.26Å; N3-L5 PolarHBondContact O-N 3.44Å; L5-G7 PolarHBondContact O-N 3.35Å; L5-F39 HydrophobicContact CB-CE2 3.82Å; L5-F39 HydrophobicContact CB-CZ 4.05Å; L5-F39 HydrophobicContact CD1-CE2 4.47Å; L5-F39 HydrophobicContact CD1-CZ 3.85Å; L5-L64 HydrophobicContact CD2-CD1 4.5Å; L5-L64 HydrophobicContact CD2-CD2 4.36Å; L5-L66 HydrophobicContact CD2-CD2 4.02Å; L5-F172 HydrophobicContact CD1-CB 4.08Å |
| 6 | V | 55.6 | Low | 58.1 | Low | 70 Ų | 70 | 77.4 Ų | 77.4 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | trans | -81.4 | 95.5 | 174.9 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | Y187 F188 | V6-Y187 HydrophobicContact CG2-CD1 4.44Å; V6-Y187 HydrophobicContact CG2-CE1 4.36Å; V6-F188 HydrophobicContact CG2-CE2 3.74Å; V6-F188 HydrophobicContact CG2-CZ 3.61Å | ||
| 7 | G | 53 | Low | 59.5 | Low | 32 Ų | 32 | 79.9 Ų | 79.9 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 157.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L5 | L5-G7 PolarHBondContact O-N 3.35Š|
| 8 | I | 53.7 | Low | 60.8 | Low | 152 Ų | 152 | 80.9 Ų | 80.9 | 78% | 0.779 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 140.6 | 169 | -58.8 | 168.6 | 0 | 0 | 0 | 109.2 | ||
| 9 | A | 50.7 | Low | 61.9 | Low | 87 Ų | 87 | 78.2 Ų | 78.2 | 72% | 0.719 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -56 | 130.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 10 | P | 54.3 | Low | 62.8 | Low | 55 Ų | 55 | 74.9 Ų | 74.9 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 147 | -177.3 | 20.7 | -29.5 | 0 | 0 | 0 | 113.1 | Q12 I13 H60 | P10-Q12 VanDerWaalsContact C-N 3.32Å; P10-I13 HydrophobicContact CG-CG1 4.16Å; P10-H60 VanDerWaalsContact CB-CE1 3.43Å; P10-H60 WeakPolarHBondContact CB-CE1 2.95Å |
| 11 | S | 54.3 | Low | 63.1 | Low | 128 Ų | 128 | 75.7 Ų | 75.7 | 90% | 0.895 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -70.5 | -24 | 173.1 | 49.8 | 0 | 0 | 0 | 0 | 113.6 | ||
| 12 | Q | 60 | Low | 64.2 | Low | 123 Ų | 123 | 74 Ų | 74 | 58% | 0.575 | 43% | 0.433 | S | S | * | . | trans | -138.8 | 130.8 | 174.5 | -72.4 | -177.5 | 1.3 | 0 | 0 | 111.5 | P10 Y14 | P10-Q12 VanDerWaalsContact C-N 3.32Å; Q12-Y14 HydrophobicContact CB-CE2 4.24Å; Q12-Y14 PolarHBondContact OE1-OH 2.98Å | ||
| 13 | I | 67.2 | Low | 65 | Low | 143 Ų | 143 | 82 Ų | 82 | 73% | 0.733 | 47% | 0.47 | S | S | * | . | trans | -107 | 103.3 | 179.8 | -56.6 | 172.9 | 0 | 0 | 0 | 108.9 | P10 | P10-I13 HydrophobicContact CG-CG1 4.16Š| ||
| 14 | Y | 75.2 | Confident | 65.5 | Low | 100 Ų | 100 | 80.5 Ų | 80.5 | 39% | 0.392 | 46% | 0.46 | S | S | . | . | trans | -85.3 | 155.9 | 175.7 | -61.9 | -71.3 | 0 | 0 | 0 | 112.9 | Q12 H18 K41 | Q12-Y14 HydrophobicContact CB-CE2 4.24Å; Q12-Y14 PolarHBondContact OE1-OH 2.98Å; Y14-H18 AromaticContact CD1-CD2 3.97Å; Y14-H18 AromaticContact CD2-CD2 3.97Å; Y14-H18 AromaticContact CG-CD2 3.66Å; Y14-K41 PolarHBondContact O-NZ 3.13Å | ||
| 15 | A | 79.6 | Confident | 66 | Low | 68 Ų | 68 | 76.9 Ų | 76.9 | 56% | 0.562 | 46% | 0.455 | S | S | * | . | trans | -65.8 | 157 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E17 H18 Y19 | A15-E17 PolarHBondContact O-N 2.62Å; A15-H18 WeakPolarHBondContact O-CB 3.4Å; A15-H18 PolarHBondContact O-N 3.2Å; A15-Y19 WeakPolarHBondContact O-CD2 3.31Å; A15-Y19 WeakPolarHBondContact O-CE2 3.38Å | ||
| 16 | V | 80.9 | Confident | 66.4 | Low | 6 Ų | 6 | 82 Ų | 82 | 4% | 0.036 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -60.7 | -33.1 | 179.9 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | H18 Y19 F20 F30 N33 K41 A43 V56 | V16-H18 VanDerWaalsContact C-N 3.27Å; V16-H18 PolarHBondContact O-N 2.97Å; V16-Y19 PolarHBondContact O-N 3.15Å; V16-Y19 VanDerWaalsContact O-N 3.13Å; V16-F20 HydrophobicContact CG2-CE2 4.17Å; V16-F20 VanDerWaalsContact O-CD2 3.31Å; V16-F20 WeakPolarHBondContact O-CD2 3.43Å; V16-F30 HydrophobicContact CG1-CE2 3.87Å; V16-F30 HydrophobicContact CG1-CZ 4.26Å; V16-N33 HydrophobicContact CG1-CB 4.14Å; V16-K41 HydrophobicContact CB-CB 4.01Å; V16-K41 HydrophobicContact CB-CD 4.42Å; V16-K41 HydrophobicContact CG2-CB 3.65Å; V16-A43 HydrophobicContact CG1-CB 4.32Å; V16-A43 HydrophobicContact CG2-CB 3.85Å; V16-V56 HydrophobicContact CG2-CG2 4.39Å |
| 17 | E | 82.3 | Confident | 67.5 | Low | 120 Ų | 120 | 83.6 Ų | 83.6 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -58.9 | -34.2 | 177.6 | -176.8 | 177.1 | -171.1 | 0 | 0 | 113.3 | A15 Y19 F20 F30 | A15-E17 PolarHBondContact O-N 2.62Å; E17-Y19 PolarHBondContact O-N 3.14Å; E17-Y19 VanDerWaalsContact O-N 3.12Å; E17-F20 WeakPolarHBondContact O-CB 3.35Å; E17-F20 PolarHBondContact O-N 3.46Å; E17-F30 HydrophobicContact CB-CD1 4.36Å; E17-F30 HydrophobicContact CB-CE1 4.18Å; E17-F30 HydrophobicContact CB-CZ 4.28Å; E17-F30 HydrophobicContact CG-CD1 3.99Å; E17-F30 HydrophobicContact CG-CE1 4.17Å; E17-F30 HydrophobicContact CG-CG 4.41Å |
| 18 | H | 83.1 | Confident | 69 | Low | 97 Ų | 97 | 82.3 Ų | 82.3 | 45% | 0.449 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -60.2 | -26.4 | 178.4 | -176 | 68.5 | 0 | 0 | 0 | 112.7 | Y14 A15 V16 F20 S21 | Y14-H18 AromaticContact CD1-CD2 3.97Å; Y14-H18 AromaticContact CD2-CD2 3.97Å; Y14-H18 AromaticContact CG-CD2 3.66Å; A15-H18 WeakPolarHBondContact O-CB 3.4Å; A15-H18 PolarHBondContact O-N 3.2Å; V16-H18 VanDerWaalsContact C-N 3.27Å; V16-H18 PolarHBondContact O-N 2.97Å; H18-F20 PolarHBondContact O-N 3.04Å; H18-S21 PolarHBondContact O-OG 3.08Å |
| 19 | Y | 80.9 | Confident | 70.6 | Confident | 29 Ų | 29 | 77.7 Ų | 77.7 | 11% | 0.114 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -81.2 | -2 | 178.8 | -60.3 | -86.4 | 0 | 0 | 0 | 113 | A15 V16 E17 K41 V56 V58 A100 Y102 | A15-Y19 WeakPolarHBondContact O-CD2 3.31Å; A15-Y19 WeakPolarHBondContact O-CE2 3.38Å; V16-Y19 PolarHBondContact O-N 3.15Å; V16-Y19 VanDerWaalsContact O-N 3.13Å; E17-Y19 PolarHBondContact O-N 3.14Å; E17-Y19 VanDerWaalsContact O-N 3.12Å; Y19-K41 HydrophobicContact CD2-CD 4.48Å; Y19-K41 HydrophobicContact CE2-CD 3.96Å; Y19-K41 PolarHBondContact OH-NZ 2.75Å; Y19-V56 HydrophobicContact CD1-CG1 4.15Å; Y19-V56 HydrophobicContact CG-CG1 4.01Å; Y19-V58 HydrophobicContact CE1-CG1 4.14Å; Y19-V58 HydrophobicContact CE1-CG2 3.96Å; Y19-V58 HydrophobicContact CE2-CG2 4.34Å; Y19-V58 WeakPolarHBondContact OH-CG2 3.49Å; Y19-A100 HydrophobicContact CD1-CB 4.17Å; Y19-Y102 PolarHBondContact O-OH 2.87Å |
| 20 | F | 79.3 | Confident | 72.4 | Confident | 12 Ų | 12 | 76.5 Ų | 76.5 | 5% | 0.053 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -15.4 | 175.2 | -69.6 | -99.8 | 0 | 0 | 0 | 112.8 | V16 E17 H18 G22 G25 I28 F30 A43 A45 V54 V56 | V16-F20 HydrophobicContact CG2-CE2 4.17Å; V16-F20 VanDerWaalsContact O-CD2 3.31Å; V16-F20 WeakPolarHBondContact O-CD2 3.43Å; E17-F20 WeakPolarHBondContact O-CB 3.35Å; E17-F20 PolarHBondContact O-N 3.46Å; H18-F20 PolarHBondContact O-N 3.04Å; F20-G22 PolarHBondContact O-N 3.02Å; F20-G25 WeakPolarHBondContact O-CA 3.39Å; F20-I28 HydrophobicContact CD1-CG2 4.17Å; F20-I28 HydrophobicContact CE1-CG2 3.86Å; F20-F30 HydrophobicContact CB-CB 4.13Å; F20-F30 HydrophobicContact CD1-CB 4.12Å; F20-F30 HydrophobicContact CD2-CB 4.41Å; F20-F30 AromaticContact CD2-CD2 3.96Å; F20-F30 HydrophobicContact CD2-CD2 3.96Å; F20-F30 HydrophobicContact CE2-CD2 4Å; F20-F30 HydrophobicContact CG-CB 3.96Å; F20-F30 HydrophobicContact CG-CD2 4.34Å; F20-F30 HydrophobicContact CZ-CD2 4.38Å; F20-A43 HydrophobicContact CE2-CB 3.71Å; F20-A43 HydrophobicContact CZ-CB 3.65Å; F20-A45 HydrophobicContact CE1-CB 3.92Å; F20-V54 HydrophobicContact CE1-CB 4.32Å; F20-V54 HydrophobicContact CE1-CG1 4.32Å; F20-V54 HydrophobicContact CE1-CG2 4.16Å; F20-V54 HydrophobicContact CZ-CB 3.84Å; F20-V54 HydrophobicContact CZ-CG1 3.83Å; F20-V54 HydrophobicContact CZ-CG2 4.18Å; F20-V56 HydrophobicContact CE2-CG2 4.48Å |
| 21 | S | 69 | Low | 74 | Confident | 92 Ų | 92 | 77 Ų | 77 | 64% | 0.643 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -81.4 | 33.2 | -175.5 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | H18 | H18-S21 PolarHBondContact O-OG 3.08Š|
| 22 | G | 67.9 | Low | 75.7 | Confident | 52 Ų | 52 | 73.3 Ų | 73.3 | 54% | 0.536 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -134.9 | -146.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F20 F24 G25 | F20-G22 PolarHBondContact O-N 3.02Å; G22-F24 PolarHBondContact O-N 3.36Å; G22-G25 PolarHBondContact O-N 2.66Å |
| 23 | Q | 60.1 | Low | 77 | Confident | 169 Ų | 169 | 72.2 Ų | 72.2 | 79% | 0.79 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -24.1 | -178.1 | -87.5 | 176.1 | -22.1 | 0 | 0 | 115 | ||
| 24 | F | 63.3 | Low | 77.6 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 14% | 0.136 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -6.9 | -178.8 | -74 | -81.2 | 0 | 0 | 0 | 114.8 | G22 S26 E27 I28 E95 I97 | G22-F24 PolarHBondContact O-N 3.36Å; F24-S26 PolarHBondContact O-N 3.28Å; F24-E27 PolarHBondContact O-N 3.03Å; F24-I28 HydrophobicContact CD1-CD1 4.23Å; F24-I28 PolarHBondContact O-N 3.4Å; F24-E95 WeakPolarHBondContact CE1-OE2 3.45Å; F24-E95 WeakPolarHBondContact CZ-OE2 3.37Å; F24-I97 HydrophobicContact CD2-CD1 3.39Å; F24-I97 HydrophobicContact CD2-CG1 4.48Å; F24-I97 HydrophobicContact CE2-CD1 3.1Å; F24-I97 HydrophobicContact CE2-CG1 3.74Å; F24-I97 HydrophobicContact CZ-CD1 4.2Å |
| 25 | G | 60.9 | Low | 77.5 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 45% | 0.454 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F20 G22 | F20-G25 WeakPolarHBondContact O-CA 3.39Å; G22-G25 PolarHBondContact O-N 2.66Å |
| 26 | S | 63.8 | Low | 76.8 | Confident | 112 Ų | 112 | 67.1 Ų | 67.1 | 78% | 0.783 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -28.4 | 175.6 | 53.8 | 0 | 0 | 0 | 0 | 114 | F24 | F24-S26 PolarHBondContact O-N 3.28Š|
| 27 | E | 78.1 | Confident | 76.4 | Confident | 103 Ų | 103 | 68.4 Ų | 68.4 | 48% | 0.481 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -32.6 | -178.3 | -68.6 | -177.5 | -169.6 | 0 | 0 | 112.8 | F24 R93 | F24-E27 PolarHBondContact O-N 3.03Å; E27-R93 IonicContact OE2-CZ 2.79Å; E27-R93 IonicContact OE2-NH1 2.65Å; E27-R93 PolarHBondContact OE2-NH1 3.45Å; E27-R93 IonicContact OE2-NH2 3.04Å; E27-R93 PolarHBondContact OE2-NH2 3.39Å |
| 28 | I | 84.7 | Confident | 75.8 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.026 | 42% | 0.415 | C | S | . | . | trans | -126.4 | 105.7 | -171.7 | -55.2 | 178.7 | 0 | 0 | 0 | 109.5 | F20 F24 A45 T47 I52 V54 M104 | F20-I28 HydrophobicContact CD1-CG2 4.17Å; F20-I28 HydrophobicContact CE1-CG2 3.86Å; F24-I28 HydrophobicContact CD1-CD1 4.23Å; F24-I28 PolarHBondContact O-N 3.4Å; I28-A45 HydrophobicContact CG2-CB 3.46Å; I28-A45 VanDerWaalsContact CG2-CB 3.46Å; I28-T47 HydrophobicContact CG1-CG2 4.14Å; I28-I52 HydrophobicContact CD1-CD1 4.34Å; I28-I52 HydrophobicContact CG2-CD1 4.11Å; I28-V54 HydrophobicContact CG2-CG2 4.4Å; I28-M104 HydrophobicContact CD1-CE 3.42Å; I28-M104 VanDerWaalsContact CD1-CE 3.42Å; I28-M104 HydrophobicContact CD1-SD 3.53Å; I28-M104 VanDerWaalsContact CD1-SD 3.53Å | ||
| 29 | A | 86.3 | Confident | 75.3 | Confident | 55 Ų | 55 | 66.8 Ų | 66.8 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | S31 A45 K46 | A29-S31 PolarHBondContact O-N 2.95Å; A29-A45 CarbonylContact O-C 3.48Å; A29-A45 WeakPolarHBondContact O-CA 3.24Å; A29-A45 WeakPolarHBondContact O-CB 3.34Å; A29-K46 PolarHBondContact N-O 2.83Å; A29-K46 PolarHBondContact O-N 3.44Å |
| 30 | F | 89.1 | Confident | 75.6 | Confident | 62 Ų | 62 | 66.2 Ų | 66.2 | 27% | 0.272 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 135.4 | 172.3 | 176.7 | -102.1 | 0 | 0 | 0 | 110.8 | V16 E17 F20 N33 A43 | V16-F30 HydrophobicContact CG1-CE2 3.87Å; V16-F30 HydrophobicContact CG1-CZ 4.26Å; E17-F30 HydrophobicContact CB-CD1 4.36Å; E17-F30 HydrophobicContact CB-CE1 4.18Å; E17-F30 HydrophobicContact CB-CZ 4.28Å; E17-F30 HydrophobicContact CG-CD1 3.99Å; E17-F30 HydrophobicContact CG-CE1 4.17Å; E17-F30 HydrophobicContact CG-CG 4.41Å; F20-F30 HydrophobicContact CB-CB 4.13Å; F20-F30 HydrophobicContact CD1-CB 4.12Å; F20-F30 HydrophobicContact CD2-CB 4.41Å; F20-F30 AromaticContact CD2-CD2 3.96Å; F20-F30 HydrophobicContact CD2-CD2 3.96Å; F20-F30 HydrophobicContact CE2-CD2 4Å; F20-F30 HydrophobicContact CG-CB 3.96Å; F20-F30 HydrophobicContact CG-CD2 4.34Å; F20-F30 HydrophobicContact CZ-CD2 4.38Å; F30-N33 HydrophobicContact CZ-CB 4.38Å; F30-A43 HydrophobicContact CD2-CB 3.92Å; F30-A43 HydrophobicContact CE2-CB 3.7Å |
| 31 | S | 88 | Confident | 76 | Confident | 67 Ų | 67 | 67 Ų | 67 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -53.3 | -179.9 | 179 | 0 | 0 | 0 | 0 | 112.5 | A29 K44 | A29-S31 PolarHBondContact O-N 2.95Å; S31-K44 WeakPolarHBondContact CA-O 3.47Å; S31-K44 WeakPolarHBondContact CB-O 3.43Å; S31-K44 PolarHBondContact N-O 3.31Å |
| 32 | S | 89.7 | Confident | 76.9 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 149.2 | -180 | 64.9 | 0 | 0 | 0 | 0 | 112 | M34 K44 | S32-M34 PolarHBondContact O-N 3.41Å; S32-K44 PolarHBondContact N-O 2.97Å; S32-K44 VanDerWaalsContact N-O 3.15Å; S32-K44 PolarHBondContact O-N 3.05Å; S32-K44 WeakPolarHBondContact OG-CB 3.43Å |
| 33 | N | 87.4 | Confident | 78 | Confident | 100 Ų | 100 | 61 Ų | 61 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.9 | 171.4 | -171.4 | -12.9 | 0 | 0 | 0 | 109.7 | V16 F30 G35 V42 | V16-N33 HydrophobicContact CG1-CB 4.14Å; F30-N33 HydrophobicContact CZ-CB 4.38Å; N33-G35 WeakPolarHBondContact OD1-CA 3.36Å; N33-G35 PolarHBondContact OD1-N 3.33Å; N33-G35 PolarHBondContact OD1-O 3.2Å; N33-V42 PolarHBondContact OD1-O 3.4Å |
| 34 | M | 79.6 | Confident | 79.6 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 9.1 | 177.6 | -70.3 | -171.3 | 69.2 | 0 | 0 | 112.7 | S32 V42 K44 V53 Y107 | S32-M34 PolarHBondContact O-N 3.41Å; M34-V42 HydrophobicContact CB-CB 4.29Å; M34-V42 HydrophobicContact CB-CG1 3.99Å; M34-V42 PolarHBondContact N-O 3.16Å; M34-K44 HydrophobicContact CG-CB 3.87Å; M34-K44 HydrophobicContact SD-CB 3.74Å; M34-K44 HydrophobicContact SD-CG 4.47Å; M34-V53 HydrophobicContact SD-CG2 4.04Å; M34-Y107 HydrophobicContact CE-CD2 4.34Å; M34-Y107 HydrophobicContact CE-CE2 3.8Å; M34-Y107 HydrophobicContact SD-CD2 4.19Å; M34-Y107 HydrophobicContact SD-CE2 4Å |
| 35 | G | 73.5 | Confident | 80.9 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.8 | 173.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N33 V42 | N33-G35 WeakPolarHBondContact OD1-CA 3.36Å; N33-G35 PolarHBondContact OD1-N 3.33Å; N33-G35 PolarHBondContact OD1-O 3.2Å; G35-V42 PolarHBondContact O-N 2.95Å |
| 36 | S | 64.6 | Low | 82.4 | Confident | 81 Ų | 81 | 56.8 Ų | 56.8 | 57% | 0.566 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.3 | 171.3 | -168.2 | 0 | 0 | 0 | 0 | 108.1 | F40 | S36-F40 PolarHBondContact OG-O 2.68Å |
| 37 | T | 71.9 | Confident | 83.5 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | trans | -81.1 | 170.5 | 160 | 68.7 | 0 | 0 | 0 | 0 | 108.3 | F39 F40 T191 | T37-F39 PolarHBondContact O-N 3.26Å; T37-F39 PolarHBondContact OG1-N 3.09Å; T37-F40 PolarHBondContact N-O 2.73Å; T37-F40 WeakPolarHBondContact OG1-CA 3.47Å; T37-F40 PolarHBondContact OG1-N 3.18Å; T37-F40 PolarHBondContact OG1-O 2.95Å; T37-T191 HydrophobicContact CG2-CG2 3.8Å | ||
| 38 | R | 70.2 | Confident | 83.8 | Confident | 164 Ų | 164 | 56.1 Ų | 56.1 | 62% | 0.619 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -65.6 | -16 | 173.2 | -64.4 | -177.3 | -169.2 | -115 | 7.3 | 112.6 | Y187 | R38-Y187 HydrophobicContact CB-CD2 3.74Å; R38-Y187 HydrophobicContact CB-CE2 3.92Å; R38-Y187 HydrophobicContact CB-CG 4.49Å; R38-Y187 WeakPolarHBondContact O-CE2 3.44Å; R38-Y187 PolarHBondContact O-OH 3.17Å |
| 39 | F | 74.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -108.1 | -45.8 | -173.7 | -170.1 | -119.8 | 0 | 0 | 0 | 113.5 | L5 T37 F57 F172 Y187 F188 | L5-F39 HydrophobicContact CB-CE2 3.82Å; L5-F39 HydrophobicContact CB-CZ 4.05Å; L5-F39 HydrophobicContact CD1-CE2 4.47Å; L5-F39 HydrophobicContact CD1-CZ 3.85Å; T37-F39 PolarHBondContact O-N 3.26Å; T37-F39 PolarHBondContact OG1-N 3.09Å; F39-F57 HydrophobicContact CD2-CD2 4.34Å; F39-F57 HydrophobicContact CD2-CE2 4.02Å; F39-F57 HydrophobicContact CE1-CD2 4.46Å; F39-F57 AromaticContact CE2-CD2 3.94Å; F39-F57 HydrophobicContact CE2-CD2 3.94Å; F39-F57 AromaticContact CE2-CE2 3.45Å; F39-F57 HydrophobicContact CE2-CE2 3.45Å; F39-F57 VanDerWaalsContact CE2-CE2 3.45Å; F39-F57 HydrophobicContact CE2-CZ 4.43Å; F39-F57 AromaticContact CZ-CD2 3.99Å; F39-F57 HydrophobicContact CZ-CD2 3.99Å; F39-F57 AromaticContact CZ-CE2 3.84Å; F39-F57 HydrophobicContact CZ-CE2 3.84Å; F39-F172 HydrophobicContact CD1-CD2 4.48Å; F39-F172 HydrophobicContact CD1-CE2 4.25Å; F39-F172 AromaticContact CE1-CD2 3.59Å; F39-F172 HydrophobicContact CE1-CD2 3.59Å; F39-F172 AromaticContact CE1-CE2 3.73Å; F39-F172 HydrophobicContact CE1-CE2 3.73Å; F39-F172 HydrophobicContact CZ-CD2 4.27Å; F39-Y187 HydrophobicContact CB-CE1 4.41Å; F39-Y187 AromaticContact CD2-CE1 3.61Å; F39-Y187 HydrophobicContact CD2-CE1 3.61Å; F39-Y187 AromaticContact CD2-CZ 4Å; F39-Y187 HydrophobicContact CE2-CE1 4.36Å; F39-Y187 HydrophobicContact CG-CE1 4.41Å; F39-F188 HydrophobicContact CD2-CD1 4.34Å; F39-F188 AromaticContact CD2-CE1 3.91Å; F39-F188 HydrophobicContact CD2-CE1 3.91Å; F39-F188 AromaticContact CE2-CE1 3.81Å; F39-F188 HydrophobicContact CE2-CE1 3.81Å; F39-F188 HydrophobicContact CG-CD1 4.44Å; F39-F188 HydrophobicContact CG-CE1 4.44Å; F39-F188 HydrophobicContact CZ-CE1 4.29Å |
| 40 | F | 85.8 | Confident | 83.7 | Confident | 16 Ų | 16 | 64 Ų | 64 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | trans | -119.2 | 147.1 | 177.1 | -68.5 | -71.6 | 0 | 0 | 0 | 113 | S36 T37 V42 K55 F57 I103 F172 | S36-F40 PolarHBondContact OG-O 2.68Å; T37-F40 PolarHBondContact N-O 2.73Å; T37-F40 WeakPolarHBondContact OG1-CA 3.47Å; T37-F40 PolarHBondContact OG1-N 3.18Å; T37-F40 PolarHBondContact OG1-O 2.95Å; F40-V42 HydrophobicContact CB-CG2 4.39Å; F40-K55 HydrophobicContact CB-CB 4.38Å; F40-K55 HydrophobicContact CD1-CB 3.98Å; F40-K55 HydrophobicContact CD2-CD 4.42Å; F40-K55 HydrophobicContact CE1-CB 4.39Å; F40-K55 HydrophobicContact CG-CB 4.14Å; F40-F57 HydrophobicContact CD1-CB 3.82Å; F40-F57 HydrophobicContact CE1-CB 3.63Å; F40-I103 HydrophobicContact CE1-CD1 3.9Å; F40-I103 HydrophobicContact CZ-CD1 3.79Å; F40-F172 HydrophobicContact CE2-CD2 4.42Å; F40-F172 HydrophobicContact CE2-CE1 4.49Å; F40-F172 AromaticContact CE2-CE2 3.54Å; F40-F172 HydrophobicContact CE2-CE2 3.54Å; F40-F172 AromaticContact CE2-CZ 3.58Å; F40-F172 HydrophobicContact CE2-CZ 3.58Å; F40-F172 HydrophobicContact CZ-CD2 4.49Å; F40-F172 HydrophobicContact CZ-CE1 4.37Å; F40-F172 AromaticContact CZ-CE2 3.93Å; F40-F172 HydrophobicContact CZ-CE2 3.93Å; F40-F172 AromaticContact CZ-CZ 3.86Å; F40-F172 HydrophobicContact CZ-CZ 3.86Å | ||
| 41 | K | 87.3 | Confident | 83.8 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 13% | 0.13 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.2 | 158.3 | -58.5 | -178.5 | -178.2 | 174.4 | 0 | 108.9 | Y14 V16 Y19 K55 V56 V58 | Y14-K41 PolarHBondContact O-NZ 3.13Å; V16-K41 HydrophobicContact CB-CB 4.01Å; V16-K41 HydrophobicContact CB-CD 4.42Å; V16-K41 HydrophobicContact CG2-CB 3.65Å; Y19-K41 HydrophobicContact CD2-CD 4.48Å; Y19-K41 HydrophobicContact CE2-CD 3.96Å; Y19-K41 PolarHBondContact OH-NZ 2.75Å; K41-K55 WeakPolarHBondContact O-CA 3.44Å; K41-V56 HydrophobicContact CB-CB 4.41Å; K41-V56 PolarHBondContact N-O 2.79Å; K41-V56 PolarHBondContact O-N 3.2Å; K41-V58 HydrophobicContact CD-CG2 4.45Å |
| 42 | V | 89.1 | Confident | 84.1 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.109 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.2 | -174.3 | -168.3 | 0 | 0 | 0 | 0 | 109.9 | N33 M34 G35 F40 V53 K55 | N33-V42 PolarHBondContact OD1-O 3.4Å; M34-V42 HydrophobicContact CB-CB 4.29Å; M34-V42 HydrophobicContact CB-CG1 3.99Å; M34-V42 PolarHBondContact N-O 3.16Å; G35-V42 PolarHBondContact O-N 2.95Å; F40-V42 HydrophobicContact CB-CG2 4.39Å; V42-V53 HydrophobicContact CG1-CG1 3.65Å; V42-K55 HydrophobicContact CG1-CG 4.25Å; V42-K55 HydrophobicContact CG2-CG 4.22Å |
| 43 | A | 91 | Very high | 84.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | V16 F20 F30 V54 | V16-A43 HydrophobicContact CG1-CB 4.32Å; V16-A43 HydrophobicContact CG2-CB 3.85Å; F20-A43 HydrophobicContact CE2-CB 3.71Å; F20-A43 HydrophobicContact CZ-CB 3.65Å; F30-A43 HydrophobicContact CD2-CB 3.92Å; F30-A43 HydrophobicContact CE2-CB 3.7Å; A43-V54 PolarHBondContact N-O 2.89Å; A43-V54 PolarHBondContact O-N 3Å |
| 44 | K | 92.6 | Very high | 84.5 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.4 | 160.7 | -172 | 175.5 | 179.2 | 171.1 | 0 | 108 | S31 S32 M34 Y107 | S31-K44 WeakPolarHBondContact CA-O 3.47Å; S31-K44 WeakPolarHBondContact CB-O 3.43Å; S31-K44 PolarHBondContact N-O 3.31Å; S32-K44 PolarHBondContact N-O 2.97Å; S32-K44 VanDerWaalsContact N-O 3.15Å; S32-K44 PolarHBondContact O-N 3.05Å; S32-K44 WeakPolarHBondContact OG-CB 3.43Å; M34-K44 HydrophobicContact CG-CB 3.87Å; M34-K44 HydrophobicContact SD-CB 3.74Å; M34-K44 HydrophobicContact SD-CG 4.47Å; K44-Y107 HydrophobicContact CD-CD2 4.27Å; K44-Y107 HydrophobicContact CD-CE1 4.46Å; K44-Y107 HydrophobicContact CD-CE2 4.07Å; K44-Y107 HydrophobicContact CG-CD2 4.32Å |
| 45 | A | 91.7 | Very high | 85 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 166.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F20 I28 A29 Q51 I52 V54 | F20-A45 HydrophobicContact CE1-CB 3.92Å; I28-A45 HydrophobicContact CG2-CB 3.46Å; I28-A45 VanDerWaalsContact CG2-CB 3.46Å; A29-A45 CarbonylContact O-C 3.48Å; A29-A45 WeakPolarHBondContact O-CA 3.24Å; A29-A45 WeakPolarHBondContact O-CB 3.34Å; A45-Q51 WeakPolarHBondContact O-CA 3.15Å; A45-I52 HydrophobicContact CB-CD1 4.46Å; A45-I52 HydrophobicContact CB-CG1 3.99Å; A45-I52 PolarHBondContact N-O 3.38Å; A45-I52 PolarHBondContact O-N 3.12Å; A45-V54 HydrophobicContact CB-CG2 3.92Å |
| 46 | K | 90.9 | Very high | 85.8 | Confident | 128 Ų | 128 | 51.7 Ų | 51.7 | 56% | 0.557 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.6 | 178.1 | -171.9 | -179.7 | 177.5 | -170.5 | 0 | 109.5 | A29 | A29-K46 PolarHBondContact N-O 2.83Å; A29-K46 PolarHBondContact O-N 3.44Å |
| 47 | T | 88.8 | Confident | 86.9 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 173.9 | 173 | 62.6 | 0 | 0 | 0 | 0 | 108.8 | I28 E49 G50 I52 | I28-T47 HydrophobicContact CG1-CG2 4.14Å; T47-E49 PolarHBondContact O-N 3.36Å; T47-E49 PolarHBondContact OG1-N 2.85Å; T47-G50 PolarHBondContact N-O 3.12Å; T47-G50 PolarHBondContact O-N 3.42Å; T47-G50 PolarHBondContact OG1-N 3.35Å; T47-G50 PolarHBondContact OG1-O 2.9Å; T47-I52 HydrophobicContact CG2-CD1 3.61Å; T47-I52 HydrophobicContact CG2-CG1 4.03Å; T47-I52 HydrophobicContact CG2-CG2 4.29Å |
| 48 | D | 84.1 | Confident | 87.5 | Confident | 173 Ų | 173 | 47.9 Ų | 47.9 | 93% | 0.925 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -30.1 | 172.9 | -67.2 | -21.4 | 0 | 0 | 0 | 112.3 | ||
| 49 | E | 82.3 | Confident | 88 | Confident | 195 Ų | 195 | 42.6 Ų | 42.6 | 91% | 0.911 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -18.3 | 179.9 | -61.9 | -176.8 | 170.8 | 0 | 0 | 113.3 | T47 | T47-E49 PolarHBondContact O-N 3.36Å; T47-E49 PolarHBondContact OG1-N 2.85Å |
| 50 | G | 86.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 46 Ų | 46 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.8 | -162.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | T47 | T47-G50 PolarHBondContact N-O 3.12Å; T47-G50 PolarHBondContact O-N 3.42Å; T47-G50 PolarHBondContact OG1-N 3.35Å; T47-G50 PolarHBondContact OG1-O 2.9Å |
| 51 | Q | 91.9 | Very high | 87.5 | Confident | 88 Ų | 88 | 48.1 Ų | 48.1 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135.3 | 179.3 | -65.6 | -174.8 | -18.4 | 0 | 0 | 110.9 | A45 Y107 | A45-Q51 WeakPolarHBondContact O-CA 3.15Å; Q51-Y107 HydrophobicContact CB-CD1 4.19Å; Q51-Y107 HydrophobicContact CB-CG 4.36Å; Q51-Y107 WeakPolarHBondContact O-CB 3.46Å; Q51-Y107 PolarHBondContact O-N 3.02Å |
| 52 | I | 93.8 | Very high | 86.7 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 159.5 | -179.7 | 64.7 | 167.1 | 0 | 0 | 0 | 111.4 | I28 A45 T47 V54 M104 R105 | I28-I52 HydrophobicContact CD1-CD1 4.34Å; I28-I52 HydrophobicContact CG2-CD1 4.11Å; A45-I52 HydrophobicContact CB-CD1 4.46Å; A45-I52 HydrophobicContact CB-CG1 3.99Å; A45-I52 PolarHBondContact N-O 3.38Å; A45-I52 PolarHBondContact O-N 3.12Å; T47-I52 HydrophobicContact CG2-CD1 3.61Å; T47-I52 HydrophobicContact CG2-CG1 4.03Å; T47-I52 HydrophobicContact CG2-CG2 4.29Å; I52-V54 HydrophobicContact CD1-CG2 3.67Å; I52-V54 HydrophobicContact CG1-CG2 4.02Å; I52-M104 HydrophobicContact CD1-CB 4.48Å; I52-M104 HydrophobicContact CD1-SD 4.15Å; I52-R105 CarbonylContact C-O 3.58Å; I52-R105 VanDerWaalsContact CA-O 3.25Å; I52-R105 WeakPolarHBondContact CA-O 3.5Å; I52-R105 VanDerWaalsContact CB-O 3.32Å; I52-R105 WeakPolarHBondContact CB-O 3.3Å |
| 53 | V | 93.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.2 | 166.3 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | M34 V42 K55 M104 R105 Y107 | M34-V53 HydrophobicContact SD-CG2 4.04Å; V42-V53 HydrophobicContact CG1-CG1 3.65Å; V53-K55 HydrophobicContact CG1-CG 4.48Å; V53-M104 VanDerWaalsContact O-CA 3.31Å; V53-M104 WeakPolarHBondContact O-CA 3.08Å; V53-R105 HydrophobicContact CB-CG 4.15Å; V53-R105 PolarHBondContact N-O 3.28Å; V53-R105 PolarHBondContact O-N 3.05Å; V53-Y107 HydrophobicContact CG2-CD2 3.67Å; V53-Y107 HydrophobicContact CG2-CG 4.4Å |
| 54 | V | 91.8 | Very high | 85.2 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 119.7 | 177.8 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | F20 I28 A43 A45 I52 V56 Y102 M104 | F20-V54 HydrophobicContact CE1-CB 4.32Å; F20-V54 HydrophobicContact CE1-CG1 4.32Å; F20-V54 HydrophobicContact CE1-CG2 4.16Å; F20-V54 HydrophobicContact CZ-CB 3.84Å; F20-V54 HydrophobicContact CZ-CG1 3.83Å; F20-V54 HydrophobicContact CZ-CG2 4.18Å; I28-V54 HydrophobicContact CG2-CG2 4.4Å; A43-V54 PolarHBondContact N-O 2.89Å; A43-V54 PolarHBondContact O-N 3Å; A45-V54 HydrophobicContact CB-CG2 3.92Å; I52-V54 HydrophobicContact CD1-CG2 3.67Å; I52-V54 HydrophobicContact CG1-CG2 4.02Å; V54-V56 HydrophobicContact CG1-CG2 4.03Å; V54-Y102 HydrophobicContact CG1-CD1 3.77Å; V54-M104 HydrophobicContact CG1-CG 4.4Å; V54-M104 HydrophobicContact CG2-CG 4.22Å |
| 55 | K | 91.1 | Very high | 84.5 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.7 | 172.2 | -63.8 | -172.3 | 176.8 | 174.1 | 0 | 108.8 | F40 K41 V42 V53 F91 Y102 I103 D168 | F40-K55 HydrophobicContact CB-CB 4.38Å; F40-K55 HydrophobicContact CD1-CB 3.98Å; F40-K55 HydrophobicContact CD2-CD 4.42Å; F40-K55 HydrophobicContact CE1-CB 4.39Å; F40-K55 HydrophobicContact CG-CB 4.14Å; K41-K55 WeakPolarHBondContact O-CA 3.44Å; V42-K55 HydrophobicContact CG1-CG 4.25Å; V42-K55 HydrophobicContact CG2-CG 4.22Å; V53-K55 HydrophobicContact CG1-CG 4.48Å; K55-F91 HydrophobicContact CD-CE1 4.19Å; K55-F91 HydrophobicContact CD-CZ 4.22Å; K55-Y102 WeakPolarHBondContact O-CA 3.45Å; K55-I103 HydrophobicContact CB-CB 4.45Å; K55-I103 PolarHBondContact N-O 3.29Å; K55-I103 PolarHBondContact O-N 3.11Å; K55-D168 IonicContact NZ-OD1 3.54Å; K55-D168 PolarHBondContact NZ-OD1 2.92Å; K55-D168 IonicContact NZ-OD2 2.68Å; K55-D168 PolarHBondContact NZ-OD2 3.39Å |
| 56 | V | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.6 | -177.9 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | V16 Y19 F20 K41 V54 A100 A101 Y102 | V16-V56 HydrophobicContact CG2-CG2 4.39Å; Y19-V56 HydrophobicContact CD1-CG1 4.15Å; Y19-V56 HydrophobicContact CG-CG1 4.01Å; F20-V56 HydrophobicContact CE2-CG2 4.48Å; K41-V56 HydrophobicContact CB-CB 4.41Å; K41-V56 PolarHBondContact N-O 2.79Å; K41-V56 PolarHBondContact O-N 3.2Å; V54-V56 HydrophobicContact CG1-CG2 4.03Å; V56-A100 HydrophobicContact CG1-CB 3.88Å; V56-A101 WeakPolarHBondContact CA-O 3.36Å; V56-Y102 HydrophobicContact CG1-CE1 4.28Å; V56-Y102 HydrophobicContact CG2-CD1 3.88Å; V56-Y102 HydrophobicContact CG2-CE1 3.87Å |
| 57 | F | 87.4 | Confident | 83.9 | Confident | 17 Ų | 17 | 58.3 Ų | 58.3 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125 | 167 | 178.1 | -99.8 | 0 | 0 | 0 | 108.7 | F39 F40 L64 L66 A100 A101 | F39-F57 HydrophobicContact CD2-CD2 4.34Å; F39-F57 HydrophobicContact CD2-CE2 4.02Å; F39-F57 HydrophobicContact CE1-CD2 4.46Å; F39-F57 AromaticContact CE2-CD2 3.94Å; F39-F57 HydrophobicContact CE2-CD2 3.94Å; F39-F57 AromaticContact CE2-CE2 3.45Å; F39-F57 HydrophobicContact CE2-CE2 3.45Å; F39-F57 VanDerWaalsContact CE2-CE2 3.45Å; F39-F57 HydrophobicContact CE2-CZ 4.43Å; F39-F57 AromaticContact CZ-CD2 3.99Å; F39-F57 HydrophobicContact CZ-CD2 3.99Å; F39-F57 AromaticContact CZ-CE2 3.84Å; F39-F57 HydrophobicContact CZ-CE2 3.84Å; F40-F57 HydrophobicContact CD1-CB 3.82Å; F40-F57 HydrophobicContact CE1-CB 3.63Å; F57-L64 HydrophobicContact CE1-CD1 4.06Å; F57-L64 HydrophobicContact CZ-CD1 4.06Å; F57-L66 HydrophobicContact CD1-CD2 4.27Å; F57-L66 HydrophobicContact CE1-CD1 4.37Å; F57-L66 HydrophobicContact CE1-CD2 3.98Å; F57-A100 CarbonylContact O-C 3.49Å; F57-A100 WeakPolarHBondContact O-CA 3.44Å; F57-A100 WeakPolarHBondContact O-CB 3.33Å; F57-A101 HydrophobicContact CB-CB 4.24Å; F57-A101 HydrophobicContact CD1-CB 4.47Å; F57-A101 PolarHBondContact N-O 2.93Å; F57-A101 PolarHBondContact O-N 3.22Å |
| 58 | V | 84.4 | Confident | 83.6 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.4 | -177.9 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | Y19 K41 H60 | Y19-V58 HydrophobicContact CE1-CG1 4.14Å; Y19-V58 HydrophobicContact CE1-CG2 3.96Å; Y19-V58 HydrophobicContact CE2-CG2 4.34Å; Y19-V58 WeakPolarHBondContact OH-CG2 3.49Å; K41-V58 HydrophobicContact CD-CG2 4.45Å; V58-H60 WeakPolarHBondContact CG1-CE1 3.45Å; V58-H60 PolarHBondContact O-N 3.06Å |
| 59 | K | 81.4 | Confident | 83.6 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | trans | -77.6 | 114.8 | 179.2 | -62.9 | -175.2 | -177.3 | -179.2 | 0 | 108.9 | L66 I97 K99 | K59-L66 HydrophobicContact CD-CD1 3.76Å; K59-L66 VanDerWaalsContact CE-CD1 3.43Å; K59-L66 HydrophobicContact CG-CD1 3.71Å; K59-I97 WeakPolarHBondContact CD-O 3.41Å; K59-I97 WeakPolarHBondContact CE-O 3.41Å; K59-I97 PolarHBondContact NZ-O 3.1Å; K59-K99 PolarHBondContact N-O 3.12Å | ||
| 60 | H | 75.4 | Confident | 83.9 | Confident | 89 Ų | 89 | 46.5 Ų | 46.5 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -106.8 | -28.7 | 175.6 | -63.4 | -44.8 | 0 | 0 | 0 | 112.6 | P10 V58 | P10-H60 VanDerWaalsContact CB-CE1 3.43Å; P10-H60 WeakPolarHBondContact CB-CE1 2.95Å; V58-H60 WeakPolarHBondContact CG1-CE1 3.45Å; V58-H60 PolarHBondContact O-N 3.06Å |
| 61 | D | 74.2 | Confident | 84 | Confident | 62 Ų | 62 | 50.8 Ų | 50.8 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | trans | -125.2 | 118.1 | 176.8 | -175.3 | -14 | 0 | 0 | 0 | 108.9 | T63 L64 | D61-T63 PolarHBondContact O-N 2.95Å; D61-T63 WeakPolarHBondContact OD1-CB 3.4Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.4Å; D61-T63 PolarHBondContact OD1-N 3.36Å; D61-T63 PolarHBondContact OD1-OG1 2.8Å; D61-T63 PolarHBondContact OD2-OG1 2.75Å; D61-T63 VanDerWaalsContact OD2-OG1 3.12Å; D61-L64 HydrophobicContact CB-CD1 4.28Å; D61-L64 HydrophobicContact CB-CG 4.03Å; D61-L64 VanDerWaalsContact O-CG 3.3Å; D61-L64 WeakPolarHBondContact O-CG 3.29Å | ||
| 62 | P | 70.3 | Confident | 83.8 | Confident | 129 Ų | 129 | 50.3 Ų | 50.3 | 84% | 0.838 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11.4 | 179 | 29.4 | -34.5 | 0 | 0 | 0 | 113.7 | L64 | P62-L64 VanDerWaalsContact C-N 3.26Å; P62-L64 PolarHBondContact O-N 3.41Å |
| 63 | T | 73.5 | Confident | 83.6 | Confident | 115 Ų | 115 | 49.4 Ų | 49.4 | 71% | 0.706 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.3 | 178.6 | 68.7 | 0 | 0 | 0 | 0 | 113.6 | D61 | D61-T63 PolarHBondContact O-N 2.95Å; D61-T63 WeakPolarHBondContact OD1-CB 3.4Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.4Å; D61-T63 PolarHBondContact OD1-N 3.36Å; D61-T63 PolarHBondContact OD1-OG1 2.8Å; D61-T63 PolarHBondContact OD2-OG1 2.75Å; D61-T63 VanDerWaalsContact OD2-OG1 3.12Å |
| 64 | L | 76.3 | Confident | 83.6 | Confident | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -64.6 | 134.9 | 179.4 | -64.8 | 176.5 | 0 | 0 | 0 | 111.9 | Q4 L5 F57 D61 P62 L66 | Q4-L64 WeakPolarHBondContact O-CD2 3.49Å; L5-L64 HydrophobicContact CD2-CD1 4.5Å; L5-L64 HydrophobicContact CD2-CD2 4.36Å; F57-L64 HydrophobicContact CE1-CD1 4.06Å; F57-L64 HydrophobicContact CZ-CD1 4.06Å; D61-L64 HydrophobicContact CB-CD1 4.28Å; D61-L64 HydrophobicContact CB-CG 4.03Å; D61-L64 VanDerWaalsContact O-CG 3.3Å; D61-L64 WeakPolarHBondContact O-CG 3.29Å; P62-L64 VanDerWaalsContact C-N 3.26Å; P62-L64 PolarHBondContact O-N 3.41Å; L64-L66 HydrophobicContact CB-CD2 4.27Å; L64-L66 HydrophobicContact CB-CG 4Å; L64-L66 PolarHBondContact O-N 3.22Å |
| 65 | P | 77.5 | Confident | 83.6 | Confident | 40 Ų | 40 | 55 Ų | 55 | 26% | 0.26 | 29% | 0.29 | S | S | . | . | trans | -78.2 | 59.9 | -177.4 | 33.5 | -37.1 | 0 | 0 | 0 | 112.3 | E67 D68 H69 | P65-E67 VanDerWaalsContact C-N 3.32Å; P65-E67 PolarHBondContact O-N 3.27Å; P65-D68 PolarHBondContact O-N 3.22Å; P65-H69 PolarHBondContact O-CD2 3.17Å | ||
| 66 | L | 83.2 | Confident | 83.6 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.3 | -25.5 | -173.9 | -62.8 | 176.7 | 0 | 0 | 0 | 113.5 | L5 F57 K59 L64 H69 K70 L96 | L5-L66 HydrophobicContact CD2-CD2 4.02Å; F57-L66 HydrophobicContact CD1-CD2 4.27Å; F57-L66 HydrophobicContact CE1-CD1 4.37Å; F57-L66 HydrophobicContact CE1-CD2 3.98Å; K59-L66 HydrophobicContact CD-CD1 3.76Å; K59-L66 VanDerWaalsContact CE-CD1 3.43Å; K59-L66 HydrophobicContact CG-CD1 3.71Å; L64-L66 HydrophobicContact CB-CD2 4.27Å; L64-L66 HydrophobicContact CB-CG 4Å; L64-L66 PolarHBondContact O-N 3.22Å; L66-H69 PolarHBondContact O-N 2.94Å; L66-K70 PolarHBondContact O-N 3.03Å; L66-L96 HydrophobicContact CB-CD1 4.38Å; L66-L96 HydrophobicContact CB-CD2 4.17Å |
| 67 | E | 85.7 | Confident | 83.8 | Confident | 88 Ų | 88 | 58.6 Ų | 58.6 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 177 | -156.5 | 66.2 | -145.6 | 0 | 0 | 111.1 | P65 H69 K70 E71 L96 | P65-E67 VanDerWaalsContact C-N 3.32Å; P65-E67 PolarHBondContact O-N 3.27Å; E67-H69 PolarHBondContact O-N 3.45Å; E67-H69 VanDerWaalsContact O-N 3.17Å; E67-K70 WeakPolarHBondContact O-CA 3.46Å; E67-K70 WeakPolarHBondContact O-CB 3.46Å; E67-K70 PolarHBondContact O-N 3.32Å; E67-K70 IonicContact OE1-NZ 3.46Å; E67-K70 PolarHBondContact OE1-NZ 3.12Å; E67-E71 PolarHBondContact O-N 2.78Å; E67-L96 WeakPolarHBondContact OE2-CD1 3.28Å |
| 68 | D | 83.5 | Confident | 84.1 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.2 | -33.4 | 175.6 | -62.5 | -4.6 | 0 | 0 | 0 | 112.2 | P65 R72 | P65-D68 PolarHBondContact O-N 3.22Å; D68-R72 WeakPolarHBondContact O-CB 3.45Å; D68-R72 VanDerWaalsContact O-CG 3.29Å; D68-R72 WeakPolarHBondContact O-CG 3.38Å; D68-R72 PolarHBondContact O-N 3.26Å; D68-R72 PolarHBondContact O-NE 3.36Å |
| 69 | H | 84.1 | Confident | 84.5 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74.1 | -38.8 | 176.3 | -76 | -70.1 | 0 | 0 | 0 | 111.9 | P65 L66 E67 R72 L73 F172 | P65-H69 PolarHBondContact O-CD2 3.17Å; L66-H69 PolarHBondContact O-N 2.94Å; E67-H69 PolarHBondContact O-N 3.45Å; E67-H69 VanDerWaalsContact O-N 3.17Å; H69-R72 PolarHBondContact CE1-NH1 3.28Å; H69-R72 PolarHBondContact CE1-NH2 3.46Å; H69-R72 PolarHBondContact ND1-NH2 3.23Å; H69-R72 PolarHBondContact O-N 2.92Å; H69-L73 WeakPolarHBondContact O-CG 3.34Å; H69-L73 PolarHBondContact O-N 3.48Å; H69-L73 VanDerWaalsContact O-N 3.1Å; H69-F172 WeakPolarHBondContact ND1-CB 3.32Å |
| 70 | K | 88.7 | Confident | 85 | Confident | 48 Ų | 48 | 63.8 Ų | 63.8 | 21% | 0.209 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 174.1 | 172.4 | -179.8 | 157.1 | -142.9 | 0 | 111.2 | L66 E67 R72 L73 E74 V94 L96 | L66-K70 PolarHBondContact O-N 3.03Å; E67-K70 WeakPolarHBondContact O-CA 3.46Å; E67-K70 WeakPolarHBondContact O-CB 3.46Å; E67-K70 PolarHBondContact O-N 3.32Å; E67-K70 IonicContact OE1-NZ 3.46Å; E67-K70 PolarHBondContact OE1-NZ 3.12Å; K70-R72 VanDerWaalsContact C-N 3.27Å; K70-R72 PolarHBondContact O-N 3.05Å; K70-L73 PolarHBondContact O-N 2.69Å; K70-L73 VanDerWaalsContact O-N 3.09Å; K70-E74 WeakPolarHBondContact CE-OE1 3.33Å; K70-E74 HydrophobicContact CG-CG 4.48Å; K70-E74 PolarHBondContact O-N 3.05Å; K70-V94 HydrophobicContact CB-CG1 4.11Å; K70-V94 HydrophobicContact CD-CG1 4.5Å; K70-V94 HydrophobicContact CG-CB 4.2Å; K70-V94 HydrophobicContact CG-CG1 3.87Å; K70-L96 HydrophobicContact CB-CD1 4.08Å; K70-L96 HydrophobicContact CD-CD1 3.7Å; K70-L96 HydrophobicContact CD-CG 3.93Å |
| 71 | E | 88.5 | Confident | 85.6 | Confident | 121 Ų | 121 | 63.2 Ų | 63.2 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -57.6 | -41 | 178 | -71.2 | -173.6 | 174.9 | 0 | 0 | 112 | E67 E74 G75 | E67-E71 PolarHBondContact O-N 2.78Å; E71-E74 PolarHBondContact O-N 3.33Å; E71-G75 PolarHBondContact O-N 2.87Å |
| 72 | R | 87.6 | Confident | 86.3 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 29% | 0.291 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 175.2 | -81.5 | -180 | -88 | 166.9 | -11.6 | 112.7 | M1 D68 H69 K70 G75 I76 | M1-R72 PolarHBondContact SD-NH1 2.93Å; D68-R72 WeakPolarHBondContact O-CB 3.45Å; D68-R72 VanDerWaalsContact O-CG 3.29Å; D68-R72 WeakPolarHBondContact O-CG 3.38Å; D68-R72 PolarHBondContact O-N 3.26Å; D68-R72 PolarHBondContact O-NE 3.36Å; H69-R72 PolarHBondContact CE1-NH1 3.28Å; H69-R72 PolarHBondContact CE1-NH2 3.46Å; H69-R72 PolarHBondContact ND1-NH2 3.23Å; H69-R72 PolarHBondContact O-N 2.92Å; K70-R72 VanDerWaalsContact C-N 3.27Å; K70-R72 PolarHBondContact O-N 3.05Å; R72-G75 PolarHBondContact O-N 3.18Å; R72-I76 VanDerWaalsContact O-CG1 3.3Å; R72-I76 WeakPolarHBondContact O-CG1 3.32Å; R72-I76 PolarHBondContact O-N 3Å |
| 73 | L | 89.9 | Confident | 87.1 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 178.7 | -69.8 | 173.7 | 0 | 0 | 0 | 112 | H69 K70 G75 I76 K77 F91 V94 I103 F172 | H69-L73 WeakPolarHBondContact O-CG 3.34Å; H69-L73 PolarHBondContact O-N 3.48Å; H69-L73 VanDerWaalsContact O-N 3.1Å; K70-L73 PolarHBondContact O-N 2.69Å; K70-L73 VanDerWaalsContact O-N 3.09Å; L73-G75 VanDerWaalsContact C-N 3.35Å; L73-I76 PolarHBondContact O-N 3.46Å; L73-K77 PolarHBondContact O-N 3.4Å; L73-F91 HydrophobicContact CD2-CD2 4.01Å; L73-F91 HydrophobicContact CD2-CE2 4.43Å; L73-V94 HydrophobicContact CB-CG2 4.03Å; L73-V94 HydrophobicContact CD1-CG1 4.42Å; L73-V94 HydrophobicContact CD1-CG2 4.17Å; L73-I103 HydrophobicContact CD1-CD1 3.81Å; L73-I103 HydrophobicContact CD1-CG1 4.45Å; L73-I103 HydrophobicContact CD1-CG2 4.22Å; L73-F172 HydrophobicContact CD1-CD1 4.47Å; L73-F172 HydrophobicContact CD2-CD1 4.35Å; L73-F172 HydrophobicContact CD2-CE1 4.42Å |
| 74 | E | 91.8 | Very high | 87.7 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 175 | -70.7 | 179.1 | 178.5 | 0 | 0 | 111.9 | K70 E71 K77 K78 | K70-E74 WeakPolarHBondContact CE-OE1 3.33Å; K70-E74 HydrophobicContact CG-CG 4.48Å; K70-E74 PolarHBondContact O-N 3.05Å; E71-E74 PolarHBondContact O-N 3.33Å; E74-K77 PolarHBondContact O-N 3.06Å; E74-K78 WeakPolarHBondContact O-CB 3.3Å; E74-K78 PolarHBondContact O-N 3.23Å |
| 75 | G | 91.2 | Very high | 88.4 | Confident | 32 Ų | 32 | 61 Ų | 61 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | E71 R72 L73 K78 T79 | E71-G75 PolarHBondContact O-N 2.87Å; R72-G75 PolarHBondContact O-N 3.18Å; L73-G75 VanDerWaalsContact C-N 3.35Å; G75-K78 PolarHBondContact O-N 2.88Å; G75-T79 WeakPolarHBondContact O-CB 3.27Å; G75-T79 PolarHBondContact O-N 3.34Å; G75-T79 PolarHBondContact O-OG1 3.48Å |
| 76 | I | 92.1 | Very high | 89 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 11% | 0.108 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 174 | -71.9 | 165.9 | 0 | 0 | 0 | 110.3 | R72 L73 K78 T79 L80 P90 I146 F169 | R72-I76 VanDerWaalsContact O-CG1 3.3Å; R72-I76 WeakPolarHBondContact O-CG1 3.32Å; R72-I76 PolarHBondContact O-N 3Å; L73-I76 PolarHBondContact O-N 3.46Å; I76-K78 PolarHBondContact O-N 2.84Å; I76-T79 PolarHBondContact O-N 3.3Å; I76-L80 HydrophobicContact CG2-CD1 3.66Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CB 3.45Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 2.9Å; I76-P90 HydrophobicContact CG2-CB 4.17Å; I76-I146 HydrophobicContact CG1-CD1 4.41Å; I76-I146 HydrophobicContact CG1-CG2 4.24Å; I76-I146 HydrophobicContact CG2-CD1 4.4Å; I76-I146 HydrophobicContact CG2-CG2 4.21Å; I76-F169 HydrophobicContact CG2-CB 4.44Å; I76-F169 HydrophobicContact CG2-CD1 4.41Å; I76-F169 HydrophobicContact CG2-CG 4.28Å |
| 77 | K | 93.1 | Very high | 89.5 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54 | -54.2 | 176.8 | 179 | -165.1 | 173.8 | -174.2 | 0 | 110.9 | L73 E74 T79 L80 S81 P90 Q92 | L73-K77 PolarHBondContact O-N 3.4Å; E74-K77 PolarHBondContact O-N 3.06Å; K77-T79 PolarHBondContact O-N 2.86Å; K77-L80 PolarHBondContact O-N 3.3Å; K77-S81 WeakPolarHBondContact O-CB 3.14Å; K77-S81 PolarHBondContact O-N 3.47Å; K77-S81 PolarHBondContact O-OG 2.99Å; K77-P90 HydrophobicContact CB-CB 4.28Å; K77-P90 HydrophobicContact CB-CG 4.37Å; K77-P90 HydrophobicContact CG-CG 4.4Å; K77-Q92 WeakPolarHBondContact CE-O 3.45Å; K77-Q92 PolarHBondContact NZ-O 3.43Å |
| 78 | K | 93.1 | Very high | 90 | Very high | 145 Ų | 145 | 55.5 Ų | 55.5 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58 | -47 | -177.5 | -174.9 | 178.7 | 180 | -179.6 | 0 | 111.8 | E74 G75 I76 L82 | E74-K78 WeakPolarHBondContact O-CB 3.3Å; E74-K78 PolarHBondContact O-N 3.23Å; G75-K78 PolarHBondContact O-N 2.88Å; I76-K78 PolarHBondContact O-N 2.84Å; K78-L82 HydrophobicContact CG-CD1 4.01Å; K78-L82 WeakPolarHBondContact O-CB 3.3Å; K78-L82 VanDerWaalsContact O-CG 3.23Å; K78-L82 WeakPolarHBondContact O-CG 3.49Å; K78-L82 PolarHBondContact O-N 3.33Å |
| 79 | T | 93 | Very high | 90.5 | Very high | 49 Ų | 49 | 52.1 Ų | 52.1 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | -176.4 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | G75 I76 K77 L82 A83 Q144 I146 | G75-T79 WeakPolarHBondContact O-CB 3.27Å; G75-T79 PolarHBondContact O-N 3.34Å; G75-T79 PolarHBondContact O-OG1 3.48Å; I76-T79 PolarHBondContact O-N 3.3Å; K77-T79 PolarHBondContact O-N 2.86Å; T79-L82 PolarHBondContact O-N 2.95Å; T79-A83 WeakPolarHBondContact O-CB 3.4Å; T79-A83 PolarHBondContact O-N 3.02Å; T79-Q144 HydrophobicContact CG2-CB 3.8Å; T79-Q144 HydrophobicContact CG2-CG 4.19Å; T79-I146 HydrophobicContact CG2-CD1 3.87Å |
| 80 | L | 91.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 179.3 | -67.8 | 177.3 | 0 | 0 | 0 | 112.3 | I76 K77 A83 N84 A85 C88 P90 C141 I146 F169 | I76-L80 HydrophobicContact CG2-CD1 3.66Å; I76-L80 HydrophobicContact CG2-CG 4.34Å; I76-L80 WeakPolarHBondContact O-CB 3.45Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 2.9Å; K77-L80 PolarHBondContact O-N 3.3Å; L80-A83 PolarHBondContact O-N 2.84Å; L80-N84 PolarHBondContact O-N 2.98Å; L80-A85 HydrophobicContact CB-CB 4.17Å; L80-A85 HydrophobicContact CD2-CB 4.05Å; L80-A85 WeakPolarHBondContact O-CB 3.18Å; L80-A85 PolarHBondContact O-N 3.21Å; L80-C88 HydrophobicContact CD1-CB 4.09Å; L80-P90 HydrophobicContact CB-CG 4.41Å; L80-P90 HydrophobicContact CD1-CB 4.17Å; L80-P90 HydrophobicContact CD1-CG 4.26Å; L80-C141 HydrophobicContact CD2-CB 3.93Å; L80-I146 HydrophobicContact CD2-CD1 3.89Å; L80-I146 HydrophobicContact CG-CD1 3.81Å; L80-F169 HydrophobicContact CD1-CE1 4.07Å; L80-F169 HydrophobicContact CD1-CE2 4Å; L80-F169 HydrophobicContact CD1-CZ 3.73Å |
| 81 | S | 88.8 | Confident | 91.1 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 173.9 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | K77 A83 N84 | K77-S81 WeakPolarHBondContact O-CB 3.14Å; K77-S81 PolarHBondContact O-N 3.47Å; K77-S81 PolarHBondContact O-OG 2.99Å; S81-A83 VanDerWaalsContact C-N 3.3Å; S81-A83 PolarHBondContact O-N 3.42Å; S81-N84 PolarHBondContact O-N 2.97Å |
| 82 | L | 88.6 | Confident | 91.3 | Very high | 139 Ų | 139 | 47.5 Ų | 47.5 | 73% | 0.728 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.6 | -33.6 | 176.6 | -73.3 | 170.6 | 0 | 0 | 0 | 112.6 | K78 T79 N84 | K78-L82 HydrophobicContact CG-CD1 4.01Å; K78-L82 WeakPolarHBondContact O-CB 3.3Å; K78-L82 VanDerWaalsContact O-CG 3.23Å; K78-L82 WeakPolarHBondContact O-CG 3.49Å; K78-L82 PolarHBondContact O-N 3.33Å; T79-L82 PolarHBondContact O-N 2.95Å; L82-N84 PolarHBondContact O-N 3.45Å |
| 83 | A | 87.3 | Confident | 91.4 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 31% | 0.314 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 0.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T79 L80 S81 A85 Q144 | T79-A83 WeakPolarHBondContact O-CB 3.4Å; T79-A83 PolarHBondContact O-N 3.02Å; L80-A83 PolarHBondContact O-N 2.84Å; S81-A83 VanDerWaalsContact C-N 3.3Å; S81-A83 PolarHBondContact O-N 3.42Å; A83-A85 VanDerWaalsContact C-N 3.26Å; A83-A85 PolarHBondContact O-N 3.08Å; A83-Q144 HydrophobicContact CB-CG 3.6Å |
| 84 | N | 86.7 | Confident | 91.5 | Very high | 97 Ų | 97 | 49 Ų | 49 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 44.1 | -173.8 | -162.6 | 28.2 | 0 | 0 | 0 | 112.7 | L80 S81 L82 V86 | L80-N84 PolarHBondContact O-N 2.98Å; S81-N84 PolarHBondContact O-N 2.97Å; L82-N84 PolarHBondContact O-N 3.45Å; N84-V86 VanDerWaalsContact C-N 3.26Å; N84-V86 PolarHBondContact O-N 3.31Å |
| 85 | A | 90.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | trans | -74.8 | 75.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L80 A83 N87 C88 Q140 | L80-A85 HydrophobicContact CB-CB 4.17Å; L80-A85 HydrophobicContact CD2-CB 4.05Å; L80-A85 WeakPolarHBondContact O-CB 3.18Å; L80-A85 PolarHBondContact O-N 3.21Å; A83-A85 VanDerWaalsContact C-N 3.26Å; A83-A85 PolarHBondContact O-N 3.08Å; A85-N87 PolarHBondContact O-N 3.06Å; A85-N87 VanDerWaalsContact O-N 3.16Å; A85-C88 HydrophobicContact CB-CB 4.07Å; A85-C88 PolarHBondContact O-N 2.95Å; A85-Q140 VanDerWaalsContact CA-OE1 3.25Å; A85-Q140 HydrophobicContact CB-CB 3.93Å | ||
| 86 | V | 90.2 | Very high | 91.2 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17.2 | -172.6 | -66.1 | 0 | 0 | 0 | 0 | 115.3 | N84 W163 L165 Q334 | N84-V86 VanDerWaalsContact C-N 3.26Å; N84-V86 PolarHBondContact O-N 3.31Å; V86-W163 HydrophobicContact CB-CZ2 4.26Å; V86-W163 HydrophobicContact CG2-CZ2 3.87Å; V86-W163 PolarHBondContact O-NE1 3.35Å; V86-L165 WeakPolarHBondContact O-CD2 3.44Å; V86-Q334 HydrophobicContact CB-CG 4.36Å; V86-Q334 HydrophobicContact CG1-CG 3.97Å; V86-Q334 HydrophobicContact CG2-CG 3.98Å |
| 87 | N | 94.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 5.2 | 175.2 | -62.8 | 107.6 | 0 | 0 | 0 | 112.6 | A85 A137 Q140 W163 I164 L165 L166 | A85-N87 PolarHBondContact O-N 3.06Å; A85-N87 VanDerWaalsContact O-N 3.16Å; N87-A137 HydrophobicContact CB-CB 3.67Å; N87-Q140 VanDerWaalsContact N-OE1 3.08Å; N87-Q140 PolarHBondContact OD1-NE2 3.18Å; N87-W163 WeakPolarHBondContact ND2-CZ2 2.97Å; N87-I164 PolarHBondContact ND2-O 3.07Å; N87-L165 CarbonylContact O-C 3.46Å; N87-L165 WeakPolarHBondContact O-CA 3.39Å; N87-L166 PolarHBondContact O-N 3.06Å |
| 88 | C | 94.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 8% | 0.081 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.7 | 177.2 | -62 | 0 | 0 | 0 | 0 | 110.8 | L80 A85 P90 F169 | L80-C88 HydrophobicContact CD1-CB 4.09Å; A85-C88 HydrophobicContact CB-CB 4.07Å; A85-C88 PolarHBondContact O-N 2.95Å; C88-P90 VanDerWaalsContact C-CD 3.49Å; C88-P90 VanDerWaalsContact O-CD 3.23Å; C88-P90 WeakPolarHBondContact O-CD 3.49Å; C88-F169 HydrophobicContact CB-CE2 4.08Å; C88-F169 HydrophobicContact CB-CZ 3.9Å |
| 89 | L | 94.1 | Very high | 89.5 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 79.6 | 176.2 | -171.4 | 68.3 | 0 | 0 | 0 | 109.9 | V108 L157 L165 L166 | L89-V108 HydrophobicContact CD2-CG2 4.18Å; L89-L157 HydrophobicContact CD2-CD1 3.93Å; L89-L165 HydrophobicContact CB-CB 4.22Å; L89-L166 PolarHBondContact N-O 3.44Å |
| 90 | P | 93.1 | Very high | 89.1 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | trans | -67.9 | 161.1 | 172.4 | 31.2 | -35.2 | 0 | 0 | 0 | 110.7 | I76 K77 L80 C88 Q92 | I76-P90 HydrophobicContact CG2-CB 4.17Å; K77-P90 HydrophobicContact CB-CB 4.28Å; K77-P90 HydrophobicContact CB-CG 4.37Å; K77-P90 HydrophobicContact CG-CG 4.4Å; L80-P90 HydrophobicContact CB-CG 4.41Å; L80-P90 HydrophobicContact CD1-CB 4.17Å; L80-P90 HydrophobicContact CD1-CG 4.26Å; C88-P90 VanDerWaalsContact C-CD 3.49Å; C88-P90 VanDerWaalsContact O-CD 3.23Å; C88-P90 WeakPolarHBondContact O-CD 3.49Å; P90-Q92 PolarHBondContact O-N 3.25Å; P90-Q92 PolarHBondContact O-OE1 3.15Å | ||
| 91 | F | 93.6 | Very high | 88.9 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | trans | -61.5 | 129.8 | 174.2 | -65.4 | -73.5 | 0 | 0 | 0 | 111.2 | K55 L73 V94 I103 R105 D168 F172 | K55-F91 HydrophobicContact CD-CE1 4.19Å; K55-F91 HydrophobicContact CD-CZ 4.22Å; L73-F91 HydrophobicContact CD2-CD2 4.01Å; L73-F91 HydrophobicContact CD2-CE2 4.43Å; F91-V94 HydrophobicContact CB-CG2 4.48Å; F91-I103 HydrophobicContact CB-CG2 3.59Å; F91-I103 HydrophobicContact CD1-CB 4.25Å; F91-I103 HydrophobicContact CD1-CG2 3.21Å; F91-I103 HydrophobicContact CD2-CG2 3.56Å; F91-I103 HydrophobicContact CE1-CB 4.36Å; F91-I103 HydrophobicContact CE1-CG2 3.63Å; F91-I103 HydrophobicContact CE2-CG2 3.95Å; F91-I103 HydrophobicContact CG-CG2 3.15Å; F91-I103 HydrophobicContact CZ-CG2 3.96Å; F91-R105 HydrophobicContact CD1-CB 4.09Å; F91-R105 HydrophobicContact CD1-CG 4.28Å; F91-R105 HydrophobicContact CE1-CG 4.4Å; F91-D168 WeakPolarHBondContact CE1-OD1 3.22Å; F91-D168 HydrophobicContact CZ-CB 4.23Å; F91-D168 VanDerWaalsContact CZ-OD1 3.31Å; F91-D168 WeakPolarHBondContact CZ-OD1 3.48Å; F91-F172 HydrophobicContact CE2-CE1 4.46Å | ||
| 92 | Q | 91.1 | Very high | 89 | Confident | 66 Ų | 66 | 47.5 Ų | 47.5 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -83.4 | -34.3 | -174.1 | -73.4 | 83 | -17.5 | 0 | 0 | 112.1 | K77 P90 M104 | K77-Q92 WeakPolarHBondContact CE-O 3.45Å; K77-Q92 PolarHBondContact NZ-O 3.43Å; P90-Q92 PolarHBondContact O-N 3.25Å; P90-Q92 PolarHBondContact O-OE1 3.15Å; Q92-M104 PolarHBondContact N-O 3.46Å |
| 93 | R | 90.4 | Very high | 89.1 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 135.3 | -177.8 | -173.1 | 173.7 | 177.6 | 178.2 | -6.1 | 110 | E27 E95 M104 | E27-R93 IonicContact OE2-CZ 2.79Å; E27-R93 IonicContact OE2-NH1 2.65Å; E27-R93 PolarHBondContact OE2-NH1 3.45Å; E27-R93 IonicContact OE2-NH2 3.04Å; E27-R93 PolarHBondContact OE2-NH2 3.39Å; R93-E95 HydrophobicContact CG-CG 4.24Å; R93-E95 IonicContact CZ-OE1 3.78Å; R93-E95 IonicContact CZ-OE2 2.97Å; R93-E95 VanDerWaalsContact NE-CD 3.28Å; R93-E95 IonicContact NE-OE1 3.54Å; R93-E95 PolarHBondContact NE-OE1 3.42Å; R93-E95 IonicContact NE-OE2 3.67Å; R93-E95 IonicContact NH2-OE1 2.71Å; R93-E95 PolarHBondContact NH2-OE1 3.45Å; R93-E95 IonicContact NH2-OE2 3.65Å; R93-M104 HydrophobicContact CB-CB 4.24Å; R93-M104 HydrophobicContact CB-SD 4.37Å; R93-M104 HydrophobicContact CG-SD 4.36Å; R93-M104 PolarHBondContact N-O 3.36Å; R93-M104 PolarHBondContact O-N 3.12Å |
| 94 | V | 91.6 | Very high | 89.4 | Confident | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.2 | 178.2 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | K70 L73 F91 Y102 I103 | K70-V94 HydrophobicContact CB-CG1 4.11Å; K70-V94 HydrophobicContact CD-CG1 4.5Å; K70-V94 HydrophobicContact CG-CB 4.2Å; K70-V94 HydrophobicContact CG-CG1 3.87Å; L73-V94 HydrophobicContact CB-CG2 4.03Å; L73-V94 HydrophobicContact CD1-CG1 4.42Å; L73-V94 HydrophobicContact CD1-CG2 4.17Å; F91-V94 HydrophobicContact CB-CG2 4.48Å; V94-Y102 CarbonylContact C-O 3.59Å; V94-Y102 WeakPolarHBondContact CA-O 3.49Å; V94-I103 HydrophobicContact CG1-CG1 4.36Å; V94-I103 HydrophobicContact CG2-CG2 4.02Å |
| 95 | E | 88.8 | Confident | 89.7 | Confident | 40 Ų | 40 | 36.2 Ų | 36.2 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140 | -175.9 | -71.4 | 179.6 | 149 | 0 | 0 | 111.6 | F24 R93 A101 Y102 M104 | F24-E95 WeakPolarHBondContact CE1-OE2 3.45Å; F24-E95 WeakPolarHBondContact CZ-OE2 3.37Å; R93-E95 HydrophobicContact CG-CG 4.24Å; R93-E95 IonicContact CZ-OE1 3.78Å; R93-E95 IonicContact CZ-OE2 2.97Å; R93-E95 VanDerWaalsContact NE-CD 3.28Å; R93-E95 IonicContact NE-OE1 3.54Å; R93-E95 PolarHBondContact NE-OE1 3.42Å; R93-E95 IonicContact NE-OE2 3.67Å; R93-E95 IonicContact NH2-OE1 2.71Å; R93-E95 PolarHBondContact NH2-OE1 3.45Å; R93-E95 IonicContact NH2-OE2 3.65Å; E95-A101 CarbonylContact O-C 3.32Å; E95-A101 WeakPolarHBondContact O-CA 3.1Å; E95-Y102 PolarHBondContact N-O 2.91Å; E95-Y102 PolarHBondContact O-N 3.41Å; E95-M104 WeakPolarHBondContact OE2-CE 3.46Å |
| 96 | L | 87.6 | Confident | 89.8 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 25% | 0.246 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.9 | -179.2 | -61.4 | 177 | 0 | 0 | 0 | 108.4 | L66 E67 K70 A101 | L66-L96 HydrophobicContact CB-CD1 4.38Å; L66-L96 HydrophobicContact CB-CD2 4.17Å; E67-L96 WeakPolarHBondContact OE2-CD1 3.28Å; K70-L96 HydrophobicContact CB-CD1 4.08Å; K70-L96 HydrophobicContact CD-CD1 3.7Å; K70-L96 HydrophobicContact CD-CG 3.93Å; L96-A101 HydrophobicContact CD2-CB 3.38Å |
| 97 | I | 84.2 | Confident | 89.9 | Confident | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.185 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 159.1 | 173.4 | -44.8 | 178.1 | 0 | 0 | 0 | 108.4 | F24 K59 K99 A100 Y102 | F24-I97 HydrophobicContact CD2-CD1 3.39Å; F24-I97 HydrophobicContact CD2-CG1 4.48Å; F24-I97 HydrophobicContact CE2-CD1 3.1Å; F24-I97 HydrophobicContact CE2-CG1 3.74Å; F24-I97 HydrophobicContact CZ-CD1 4.2Å; K59-I97 WeakPolarHBondContact CD-O 3.41Å; K59-I97 WeakPolarHBondContact CE-O 3.41Å; K59-I97 PolarHBondContact NZ-O 3.1Å; I97-K99 PolarHBondContact O-N 3.27Å; I97-A100 CarbonylContact C-O 3.53Å; I97-A100 WeakPolarHBondContact CA-O 3.27Å; I97-A100 PolarHBondContact N-O 3.14Å; I97-A100 PolarHBondContact O-N 2.92Å; I97-Y102 HydrophobicContact CB-CE2 4.38Å; I97-Y102 HydrophobicContact CD1-CD2 3.76Å; I97-Y102 HydrophobicContact CD1-CE2 3.15Å; I97-Y102 HydrophobicContact CG1-CD2 4.01Å; I97-Y102 HydrophobicContact CG1-CE2 3.74Å |
| 98 | D | 78.6 | Confident | 89.9 | Confident | 152 Ų | 152 | 42.2 Ų | 42.2 | 81% | 0.813 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -44.5 | -41.1 | 179.1 | -60.3 | -14.4 | 0 | 0 | 0 | 114.8 | ||
| 99 | K | 79.8 | Confident | 89.7 | Confident | 166 Ų | 166 | 48.4 Ų | 48.4 | 72% | 0.722 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | -11.7 | -174.9 | -62.3 | -173.4 | -179.4 | -179.7 | 0 | 115.1 | K59 I97 | K59-K99 PolarHBondContact N-O 3.12Å; I97-K99 PolarHBondContact O-N 3.27Å |
| 100 | A | 85.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 156 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y19 V56 F57 I97 Y102 | Y19-A100 HydrophobicContact CD1-CB 4.17Å; V56-A100 HydrophobicContact CG1-CB 3.88Å; F57-A100 CarbonylContact O-C 3.49Å; F57-A100 WeakPolarHBondContact O-CA 3.44Å; F57-A100 WeakPolarHBondContact O-CB 3.33Å; I97-A100 CarbonylContact C-O 3.53Å; I97-A100 WeakPolarHBondContact CA-O 3.27Å; I97-A100 PolarHBondContact N-O 3.14Å; I97-A100 PolarHBondContact O-N 2.92Å; A100-Y102 HydrophobicContact CB-CD2 4.42Å; A100-Y102 HydrophobicContact CB-CE2 3.62Å |
| 101 | A | 88.1 | Confident | 89.6 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V56 F57 E95 L96 | V56-A101 WeakPolarHBondContact CA-O 3.36Å; F57-A101 HydrophobicContact CB-CB 4.24Å; F57-A101 HydrophobicContact CD1-CB 4.47Å; F57-A101 PolarHBondContact N-O 2.93Å; F57-A101 PolarHBondContact O-N 3.22Å; E95-A101 CarbonylContact O-C 3.32Å; E95-A101 WeakPolarHBondContact O-CA 3.1Å; L96-A101 HydrophobicContact CD2-CB 3.38Å |
| 102 | Y | 89.1 | Confident | 89.7 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.9 | -176.1 | -62.2 | -105.8 | 0 | 0 | 0 | 108.8 | Y19 V54 K55 V56 V94 E95 I97 A100 M104 | Y19-Y102 PolarHBondContact O-OH 2.87Å; V54-Y102 HydrophobicContact CG1-CD1 3.77Å; K55-Y102 WeakPolarHBondContact O-CA 3.45Å; V56-Y102 HydrophobicContact CG1-CE1 4.28Å; V56-Y102 HydrophobicContact CG2-CD1 3.88Å; V56-Y102 HydrophobicContact CG2-CE1 3.87Å; V94-Y102 CarbonylContact C-O 3.59Å; V94-Y102 WeakPolarHBondContact CA-O 3.49Å; E95-Y102 PolarHBondContact N-O 2.91Å; E95-Y102 PolarHBondContact O-N 3.41Å; I97-Y102 HydrophobicContact CB-CE2 4.38Å; I97-Y102 HydrophobicContact CD1-CD2 3.76Å; I97-Y102 HydrophobicContact CD1-CE2 3.15Å; I97-Y102 HydrophobicContact CG1-CD2 4.01Å; I97-Y102 HydrophobicContact CG1-CE2 3.74Å; A100-Y102 HydrophobicContact CB-CD2 4.42Å; A100-Y102 HydrophobicContact CB-CE2 3.62Å; Y102-M104 HydrophobicContact CG-CE 4.44Å |
| 103 | I | 92.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.3 | 175.7 | -44.1 | 179.3 | 0 | 0 | 0 | 107.4 | F40 K55 L73 F91 V94 F172 | F40-I103 HydrophobicContact CE1-CD1 3.9Å; F40-I103 HydrophobicContact CZ-CD1 3.79Å; K55-I103 HydrophobicContact CB-CB 4.45Å; K55-I103 PolarHBondContact N-O 3.29Å; K55-I103 PolarHBondContact O-N 3.11Å; L73-I103 HydrophobicContact CD1-CD1 3.81Å; L73-I103 HydrophobicContact CD1-CG1 4.45Å; L73-I103 HydrophobicContact CD1-CG2 4.22Å; F91-I103 HydrophobicContact CB-CG2 3.59Å; F91-I103 HydrophobicContact CD1-CB 4.25Å; F91-I103 HydrophobicContact CD1-CG2 3.21Å; F91-I103 HydrophobicContact CD2-CG2 3.56Å; F91-I103 HydrophobicContact CE1-CB 4.36Å; F91-I103 HydrophobicContact CE1-CG2 3.63Å; F91-I103 HydrophobicContact CE2-CG2 3.95Å; F91-I103 HydrophobicContact CG-CG2 3.15Å; F91-I103 HydrophobicContact CZ-CG2 3.96Å; V94-I103 HydrophobicContact CG1-CG1 4.36Å; V94-I103 HydrophobicContact CG2-CG2 4.02Å; I103-F172 HydrophobicContact CD1-CE1 4.45Å |
| 104 | M | 92.7 | Very high | 89.7 | Confident | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.034 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.3 | -167.2 | -50.5 | -179.9 | -169 | 0 | 0 | 111.5 | I28 I52 V53 V54 Q92 R93 E95 Y102 | I28-M104 HydrophobicContact CD1-CE 3.42Å; I28-M104 VanDerWaalsContact CD1-CE 3.42Å; I28-M104 HydrophobicContact CD1-SD 3.53Å; I28-M104 VanDerWaalsContact CD1-SD 3.53Å; I52-M104 HydrophobicContact CD1-CB 4.48Å; I52-M104 HydrophobicContact CD1-SD 4.15Å; V53-M104 VanDerWaalsContact O-CA 3.31Å; V53-M104 WeakPolarHBondContact O-CA 3.08Å; V54-M104 HydrophobicContact CG1-CG 4.4Å; V54-M104 HydrophobicContact CG2-CG 4.22Å; Q92-M104 PolarHBondContact N-O 3.46Å; R93-M104 HydrophobicContact CB-CB 4.24Å; R93-M104 HydrophobicContact CB-SD 4.37Å; R93-M104 HydrophobicContact CG-SD 4.36Å; R93-M104 PolarHBondContact N-O 3.36Å; R93-M104 PolarHBondContact O-N 3.12Å; E95-M104 WeakPolarHBondContact OE2-CE 3.46Å; Y102-M104 HydrophobicContact CG-CE 4.44Å |
| 105 | R | 93.5 | Very high | 89.8 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 165.7 | 169 | 64.6 | 157.1 | 175.6 | 85.4 | -7.3 | 114.1 | I52 V53 F91 D168 | I52-R105 CarbonylContact C-O 3.58Å; I52-R105 VanDerWaalsContact CA-O 3.25Å; I52-R105 WeakPolarHBondContact CA-O 3.5Å; I52-R105 VanDerWaalsContact CB-O 3.32Å; I52-R105 WeakPolarHBondContact CB-O 3.3Å; V53-R105 HydrophobicContact CB-CG 4.15Å; V53-R105 PolarHBondContact N-O 3.28Å; V53-R105 PolarHBondContact O-N 3.05Å; F91-R105 HydrophobicContact CD1-CB 4.09Å; F91-R105 HydrophobicContact CD1-CG 4.28Å; F91-R105 HydrophobicContact CE1-CG 4.4Å; R105-D168 IonicContact NE-OD1 3.62Å; R105-D168 PolarHBondContact NE-OD1 3.08Å; R105-D168 VanDerWaalsContact NE-OD1 3.14Å; R105-D168 IonicContact NE-OD2 2.77Å; R105-D168 IonicContact NH2-OD2 3.56Å |
| 106 | E | 92.3 | Very high | 89.8 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 141.3 | 170 | -172.4 | -177.7 | 153.2 | 0 | 0 | 111.5 | ||
| 107 | Y | 92.9 | Very high | 89.7 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 18% | 0.176 | 25% | 0.25 | C | C | . | . | trans | -83.1 | 113.2 | 173.7 | 175.5 | -100.5 | 0 | 0 | 0 | 111.5 | M34 K44 Q51 V53 K109 | M34-Y107 HydrophobicContact CE-CD2 4.34Å; M34-Y107 HydrophobicContact CE-CE2 3.8Å; M34-Y107 HydrophobicContact SD-CD2 4.19Å; M34-Y107 HydrophobicContact SD-CE2 4Å; K44-Y107 HydrophobicContact CD-CD2 4.27Å; K44-Y107 HydrophobicContact CD-CE1 4.46Å; K44-Y107 HydrophobicContact CD-CE2 4.07Å; K44-Y107 HydrophobicContact CG-CD2 4.32Å; Q51-Y107 HydrophobicContact CB-CD1 4.19Å; Q51-Y107 HydrophobicContact CB-CG 4.36Å; Q51-Y107 WeakPolarHBondContact O-CB 3.46Å; Q51-Y107 PolarHBondContact O-N 3.02Å; V53-Y107 HydrophobicContact CG2-CD2 3.67Å; V53-Y107 HydrophobicContact CG2-CG 4.4Å; Y107-K109 HydrophobicContact CE1-CB 4.06Å; Y107-K109 HydrophobicContact CE1-CG 4.43Å | ||
| 108 | V | 92.9 | Very high | 89.9 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | trans | -98.3 | 131.5 | 164.2 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | L89 H110 L157 I158 L165 | L89-V108 HydrophobicContact CD2-CG2 4.18Å; V108-H110 PolarHBondContact O-N 3.04Å; V108-L157 HydrophobicContact CB-CB 3.97Å; V108-L157 HydrophobicContact CB-CD1 3.84Å; V108-L157 HydrophobicContact CB-CG 4.41Å; V108-L157 HydrophobicContact CG1-CB 3.99Å; V108-L157 HydrophobicContact CG2-CB 4.18Å; V108-L157 HydrophobicContact CG2-CD1 3.75Å; V108-I158 WeakPolarHBondContact CG1-O 3.43Å; V108-L165 HydrophobicContact CG2-CD1 3.98Å | ||
| 109 | K | 90.3 | Very high | 90.2 | Very high | 142 Ų | 142 | 55.2 Ų | 55.2 | 62% | 0.617 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -66.2 | -36.7 | -170.1 | -173.9 | 179.8 | 173.5 | -169 | 0 | 114 | Y107 | Y107-K109 HydrophobicContact CE1-CB 4.06Å; Y107-K109 HydrophobicContact CE1-CG 4.43Å |
| 110 | H | 92.7 | Very high | 90.5 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 32% | 0.315 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.3 | -172 | -64.4 | -70.2 | 0 | 0 | 0 | 110.6 | V108 D114 I158 | V108-H110 PolarHBondContact O-N 3.04Å; H110-D114 HydrophobicContact CB-CB 4.5Å; H110-I158 HydrophobicContact CB-CG2 4.06Å; H110-I158 PolarHBondContact O-N 2.92Å |
| 111 | S | 93.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 8% | 0.077 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 164.1 | 160.3 | 65.5 | 0 | 0 | 0 | 0 | 110.2 | Y113 D114 R115 I156 | S111-Y113 PolarHBondContact O-N 3.28Å; S111-D114 WeakPolarHBondContact CB-OD2 3.26Å; S111-D114 PolarHBondContact N-OD2 3.5Å; S111-D114 PolarHBondContact O-N 2.95Å; S111-D114 VanDerWaalsContact O-N 3.16Å; S111-D114 PolarHBondContact OG-N 3.18Å; S111-D114 PolarHBondContact OG-OD2 3.31Å; S111-R115 PolarHBondContact O-N 3.32Å; S111-R115 VanDerWaalsContact O-N 3.12Å; S111-I156 CarbonylContact C-O 3.27Å |
| 112 | L | 94.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -35.5 | 173.7 | -174.8 | 56.5 | 0 | 0 | 0 | 110 | D114 R115 V116 I130 I134 L153 I156 I158 L255 | L112-D114 PolarHBondContact O-N 2.65Å; L112-R115 PolarHBondContact O-N 3.34Å; L112-V116 HydrophobicContact CD1-CG2 4.5Å; L112-V116 HydrophobicContact CG-CG2 4.45Å; L112-V116 VanDerWaalsContact O-CG2 3.29Å; L112-V116 WeakPolarHBondContact O-CG2 3.01Å; L112-V116 PolarHBondContact O-N 2.85Å; L112-I130 HydrophobicContact CD1-CD1 4.13Å; L112-I130 HydrophobicContact CD1-CG2 4.07Å; L112-I130 HydrophobicContact CD2-CG2 3.84Å; L112-I134 HydrophobicContact CD2-CD1 4.01Å; L112-L153 HydrophobicContact CB-CD2 4.2Å; L112-L153 HydrophobicContact CD2-CD2 3.61Å; L112-L153 HydrophobicContact CG-CD2 3.86Å; L112-L153 PolarHBondContact N-O 2.78Å; L112-I156 HydrophobicContact CB-CB 4.14Å; L112-I156 HydrophobicContact CB-CG2 4.03Å; L112-I156 WeakPolarHBondContact CB-O 3.1Å; L112-I156 HydrophobicContact CD2-CB 4.45Å; L112-I156 HydrophobicContact CD2-CG2 3.95Å; L112-I156 PolarHBondContact N-O 2.84Å; L112-I158 HydrophobicContact CD1-CD1 4.28Å; L112-L255 HydrophobicContact CD1-CD1 4.15Å; L112-L255 HydrophobicContact CD2-CD2 4.43Å; L112-L255 HydrophobicContact CG-CD1 4.5Å |
| 113 | Y | 91.8 | Very high | 90.8 | Very high | 86 Ų | 86 | 56.6 Ų | 56.6 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.3 | -49.9 | 172 | 177.1 | -109.6 | 0 | 0 | 0 | 112.3 | S111 R115 L153 E154 R194 | S111-Y113 PolarHBondContact O-N 3.28Å; Y113-R115 PolarHBondContact O-N 2.97Å; Y113-L153 HydrophobicContact CD2-CD1 4.49Å; Y113-L153 PolarHBondContact N-O 3.11Å; Y113-E154 HydrophobicContact CG-CG 4.49Å; Y113-R194 VanDerWaalsContact CD2-NH1 3.33Å; Y113-R194 VanDerWaalsContact CE2-NH1 3.31Å; Y113-R194 VanDerWaalsContact CE2-NH2 3.27Å; Y113-R194 PolarHBondContact OH-NE 2.97Å |
| 114 | D | 91.3 | Very high | 90.8 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -29.1 | 177.5 | -54.6 | -51.5 | 0 | 0 | 0 | 112 | H110 S111 L112 T118 | H110-D114 HydrophobicContact CB-CB 4.5Å; S111-D114 WeakPolarHBondContact CB-OD2 3.26Å; S111-D114 PolarHBondContact N-OD2 3.5Å; S111-D114 PolarHBondContact O-N 2.95Å; S111-D114 VanDerWaalsContact O-N 3.16Å; S111-D114 PolarHBondContact OG-N 3.18Å; S111-D114 PolarHBondContact OG-OD2 3.31Å; L112-D114 PolarHBondContact O-N 2.65Å; D114-T118 WeakPolarHBondContact O-CG2 3.21Å; D114-T118 PolarHBondContact O-OG1 3.09Å |
| 115 | R | 92 | Very high | 90.7 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -80.1 | -36.6 | -174.8 | 179 | 65.1 | -171.9 | 95 | -7.2 | 113.3 | S111 L112 Y113 S117 T118 P120 L122 I158 | S111-R115 PolarHBondContact O-N 3.32Å; S111-R115 VanDerWaalsContact O-N 3.12Å; L112-R115 PolarHBondContact O-N 3.34Å; Y113-R115 PolarHBondContact O-N 2.97Å; R115-S117 PolarHBondContact O-N 3.09Å; R115-T118 WeakPolarHBondContact CA-OG1 3.41Å; R115-T118 PolarHBondContact NH1-O 3.44Å; R115-T118 PolarHBondContact O-N 3.25Å; R115-T118 PolarHBondContact O-OG1 3.1Å; R115-P120 PolarHBondContact NH1-O 3.42Å; R115-P120 PolarHBondContact NH2-O 3.43Å; R115-L122 HydrophobicContact CG-CD1 4.1Å; R115-L122 HydrophobicContact CG-CD2 4.31Å; R115-L122 HydrophobicContact CG-CG 4.34Å; R115-I158 HydrophobicContact CB-CG2 3.83Å; R115-I158 HydrophobicContact CG-CD1 4.13Å; R115-I158 HydrophobicContact CG-CG2 4.27Å |
| 116 | V | 90.2 | Very high | 90.7 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.2 | -37.8 | -173.9 | 177.2 | 0 | 0 | 0 | 0 | 111.7 | L112 L153 L255 | L112-V116 HydrophobicContact CD1-CG2 4.5Å; L112-V116 HydrophobicContact CG-CG2 4.45Å; L112-V116 VanDerWaalsContact O-CG2 3.29Å; L112-V116 WeakPolarHBondContact O-CG2 3.01Å; L112-V116 PolarHBondContact O-N 2.85Å; V116-L153 HydrophobicContact CG2-CD1 4.46Å; V116-L255 HydrophobicContact CG2-CD1 3.58Å |
| 117 | S | 85.2 | Confident | 90.8 | Very high | 82 Ų | 82 | 54.8 Ų | 54.8 | 57% | 0.573 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 5.6 | -175.8 | -48.9 | 0 | 0 | 0 | 0 | 114.5 | R115 | R115-S117 PolarHBondContact O-N 3.09Š|
| 118 | T | 88.1 | Confident | 90.9 | Very high | 60 Ų | 60 | 53.5 Ų | 53.5 | 37% | 0.368 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -93.4 | 138.1 | 178.1 | 44.9 | 0 | 0 | 0 | 0 | 111.7 | D114 R115 P120 | D114-T118 WeakPolarHBondContact O-CG2 3.21Å; D114-T118 PolarHBondContact O-OG1 3.09Å; R115-T118 WeakPolarHBondContact CA-OG1 3.41Å; R115-T118 PolarHBondContact NH1-O 3.44Å; R115-T118 PolarHBondContact O-N 3.25Å; R115-T118 PolarHBondContact O-OG1 3.1Å; T118-P120 CarbonylContact O-C 3.53Å; T118-P120 VanDerWaalsContact O-O 3.09Å |
| 119 | R | 85.7 | Confident | 91 | Very high | 210 Ų | 210 | 52.7 Ų | 52.7 | 79% | 0.792 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -80.8 | 146.1 | 174.8 | -70.1 | -170.8 | 178.4 | -148.9 | 0.4 | 111.4 | F121 | R119-F121 HydrophobicContact CG-CD2 4.4Å; R119-F121 HydrophobicContact CG-CE1 4.23Å; R119-F121 HydrophobicContact CG-CE2 4Å; R119-F121 HydrophobicContact CG-CZ 3.91Å |
| 120 | P | 85.9 | Confident | 91.3 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | S | Bend | cis | -69.1 | 142.9 | -7.2 | 29.3 | -35.3 | 0 | 0 | 0 | 111.8 | R115 T118 R436 | R115-P120 PolarHBondContact NH1-O 3.42Å; R115-P120 PolarHBondContact NH2-O 3.43Å; T118-P120 CarbonylContact O-C 3.53Å; T118-P120 VanDerWaalsContact O-O 3.09Å; P120-R436 VanDerWaalsContact CG-CD 3.47Å; P120-R436 VanDerWaalsContact CG-CZ 3.44Å |
| 121 | F | 88.1 | Confident | 91.6 | Very high | 115 Ų | 115 | 42.7 Ų | 42.7 | 50% | 0.504 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -64.9 | 150.9 | -176.1 | -64.1 | -63.1 | 0 | 0 | 0 | 111.5 | R119 T123 R436 | R119-F121 HydrophobicContact CG-CD2 4.4Å; R119-F121 HydrophobicContact CG-CE1 4.23Å; R119-F121 HydrophobicContact CG-CE2 4Å; R119-F121 HydrophobicContact CG-CZ 3.91Å; F121-T123 PolarHBondContact O-N 3.39Å; F121-R436 PolarHBondContact O-NH2 3.31Å |
| 122 | L | 90.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 125.7 | 178.3 | -68.9 | 168.9 | 0 | 0 | 0 | 110.4 | R115 E126 K127 I130 L255 | R115-L122 HydrophobicContact CG-CD1 4.1Å; R115-L122 HydrophobicContact CG-CD2 4.31Å; R115-L122 HydrophobicContact CG-CG 4.34Å; L122-E126 VanDerWaalsContact CA-OE2 3.29Å; L122-E126 WeakPolarHBondContact CA-OE2 3.32Å; L122-E126 HydrophobicContact CB-CB 4.35Å; L122-E126 HydrophobicContact CD2-CB 3.9Å; L122-K127 HydrophobicContact CB-CG 3.86Å; L122-K127 HydrophobicContact CD1-CG 4.48Å; L122-I130 HydrophobicContact CD1-CD1 3.69Å; L122-I130 HydrophobicContact CD2-CD1 3.94Å; L122-I130 HydrophobicContact CG-CD1 4.46Å; L122-L255 HydrophobicContact CD1-CD1 3.99Å |
| 123 | T | 90.4 | Very high | 91.9 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 162.5 | 172.8 | 70.7 | 0 | 0 | 0 | 0 | 110.8 | F121 L125 E126 K127 I395 | F121-T123 PolarHBondContact O-N 3.39Å; T123-L125 PolarHBondContact O-N 3.47Å; T123-E126 PolarHBondContact N-OE2 2.64Å; T123-E126 PolarHBondContact O-N 3.16Å; T123-E126 VanDerWaalsContact O-N 3.13Å; T123-E126 WeakPolarHBondContact OG1-CG 3.44Å; T123-E126 PolarHBondContact OG1-N 3.48Å; T123-K127 WeakPolarHBondContact O-CG 3.22Å; T123-K127 PolarHBondContact O-N 2.94Å; T123-I395 HydrophobicContact CG2-CD1 3.45Å; T123-I395 VanDerWaalsContact CG2-CD1 3.45Å |
| 124 | V | 90.8 | Very high | 92.2 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -53.2 | -40.9 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | K127 K128 W256 | V124-K127 PolarHBondContact O-N 3.3Å; V124-K128 WeakPolarHBondContact O-CG 3.42Å; V124-K128 PolarHBondContact O-N 3.26Å; V124-W256 HydrophobicContact CG1-CH2 4.05Å; V124-W256 HydrophobicContact CG1-CZ3 4.13Å; V124-W256 WeakPolarHBondContact O-CH2 3.39Å |
| 125 | L | 91.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.5 | -41.3 | 179.3 | -170.7 | 69.4 | 0 | 0 | 0 | 112.7 | T123 K127 K128 W129 P322 F325 D392 I395 L396 | T123-L125 PolarHBondContact O-N 3.47Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.21Å; L125-K128 PolarHBondContact O-N 3.45Å; L125-W129 PolarHBondContact O-N 3.28Å; L125-P322 HydrophobicContact CD1-CG 4.37Å; L125-F325 HydrophobicContact CD1-CE1 4.39Å; L125-F325 HydrophobicContact CD1-CZ 3.96Å; L125-D392 VanDerWaalsContact CD2-C 3.47Å; L125-D392 WeakPolarHBondContact CD2-O 3.33Å; L125-I395 HydrophobicContact CD2-CG2 4.1Å; L125-L396 HydrophobicContact CD2-CD1 4.42Å |
| 126 | E | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -41.4 | 173.5 | -71 | 175.7 | 124 | 0 | 0 | 110.9 | L122 T123 W129 I130 N162 L396 R436 | L122-E126 VanDerWaalsContact CA-OE2 3.29Å; L122-E126 WeakPolarHBondContact CA-OE2 3.32Å; L122-E126 HydrophobicContact CB-CB 4.35Å; L122-E126 HydrophobicContact CD2-CB 3.9Å; T123-E126 PolarHBondContact N-OE2 2.64Å; T123-E126 PolarHBondContact O-N 3.16Å; T123-E126 VanDerWaalsContact O-N 3.13Å; T123-E126 WeakPolarHBondContact OG1-CG 3.44Å; T123-E126 PolarHBondContact OG1-N 3.48Å; E126-W129 WeakPolarHBondContact O-CB 3.36Å; E126-W129 PolarHBondContact O-N 2.9Å; E126-I130 VanDerWaalsContact O-CG1 3.31Å; E126-I130 WeakPolarHBondContact O-CG1 3.29Å; E126-I130 PolarHBondContact O-N 3.42Å; E126-N162 PolarHBondContact OE1-ND2 2.63Å; E126-L396 HydrophobicContact CG-CD2 4Å; E126-R436 IonicContact OE1-CZ 3.65Å; E126-R436 IonicContact OE1-NH1 3.94Å; E126-R436 PolarHBondContact OE1-NH1 3.46Å; E126-R436 IonicContact OE1-NH2 2.68Å; E126-R436 IonicContact OE2-CZ 2.82Å; E126-R436 IonicContact OE2-NH1 2.69Å; E126-R436 IonicContact OE2-NH2 3.28Å; E126-R436 PolarHBondContact OE2-NH2 3.37Å |
| 127 | K | 94.5 | Very high | 93 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 14% | 0.135 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 175.4 | -67 | -177.2 | -174.1 | -176.1 | 0 | 112.3 | L122 T123 V124 L125 I130 T131 L255 W256 | L122-K127 HydrophobicContact CB-CG 3.86Å; L122-K127 HydrophobicContact CD1-CG 4.48Å; T123-K127 WeakPolarHBondContact O-CG 3.22Å; T123-K127 PolarHBondContact O-N 2.94Å; V124-K127 PolarHBondContact O-N 3.3Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 3.21Å; K127-I130 PolarHBondContact O-N 3.14Å; K127-T131 WeakPolarHBondContact O-CB 3.43Å; K127-T131 PolarHBondContact O-N 3.28Å; K127-T131 PolarHBondContact O-OG1 3.42Å; K127-L255 HydrophobicContact CG-CD1 4.35Å; K127-L255 HydrophobicContact CG-CG 4.41Å; K127-W256 HydrophobicContact CB-CD2 4.29Å; K127-W256 HydrophobicContact CB-CE3 4.3Å; K127-W256 HydrophobicContact CB-CH2 3.43Å; K127-W256 VanDerWaalsContact CB-CH2 3.43Å; K127-W256 HydrophobicContact CB-CZ2 3.4Å; K127-W256 HydrophobicContact CB-CZ3 3.9Å; K127-W256 HydrophobicContact CD-CD2 4.15Å; K127-W256 HydrophobicContact CD-CE3 3.77Å; K127-W256 HydrophobicContact CD-CH2 4.29Å; K127-W256 HydrophobicContact CD-CZ3 3.85Å; K127-W256 HydrophobicContact CG-CH2 4.49Å |
| 128 | K | 95.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 8% | 0.078 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 172 | -74.7 | 176.8 | -179.6 | 178.4 | 0 | 111.2 | V124 L125 I130 T131 F132 W256 F321 F325 | V124-K128 WeakPolarHBondContact O-CG 3.42Å; V124-K128 PolarHBondContact O-N 3.26Å; L125-K128 PolarHBondContact O-N 3.45Å; K128-I130 PolarHBondContact O-N 2.96Å; K128-T131 WeakPolarHBondContact O-CB 3.44Å; K128-T131 PolarHBondContact O-N 3.15Å; K128-F132 WeakPolarHBondContact O-CB 3.46Å; K128-F132 PolarHBondContact O-N 3.11Å; K128-W256 HydrophobicContact CG-CH2 3.95Å; K128-W256 HydrophobicContact CG-CZ2 4.06Å; K128-F321 HydrophobicContact CB-CD1 4.49Å; K128-F321 WeakPolarHBondContact O-CE1 3.3Å; K128-F325 HydrophobicContact CB-CE2 4.26Å |
| 129 | W | 95.8 | Very high | 94 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62 | -41.2 | 177.5 | 179 | -121.1 | 0 | 0 | 0 | 112.6 | L125 E126 F132 Q133 W163 F325 L329 Q330 L333 L396 | L125-W129 PolarHBondContact O-N 3.28Å; E126-W129 WeakPolarHBondContact O-CB 3.36Å; E126-W129 PolarHBondContact O-N 2.9Å; W129-F132 AromaticContact CE3-CD1 3.84Å; W129-F132 HydrophobicContact CE3-CD1 3.84Å; W129-F132 HydrophobicContact CE3-CE1 4.48Å; W129-F132 HydrophobicContact CH2-CD1 4.15Å; W129-F132 HydrophobicContact CH2-CE1 4.14Å; W129-F132 AromaticContact CZ3-CD1 3.43Å; W129-F132 HydrophobicContact CZ3-CD1 3.43Å; W129-F132 VanDerWaalsContact CZ3-CD1 3.43Å; W129-F132 AromaticContact CZ3-CE1 3.65Å; W129-F132 HydrophobicContact CZ3-CE1 3.65Å; W129-F132 HydrophobicContact CZ3-CG 4.46Å; W129-Q133 HydrophobicContact CD2-CG 4.39Å; W129-Q133 HydrophobicContact CH2-CG 4.32Å; W129-Q133 HydrophobicContact CZ2-CG 3.96Å; W129-Q133 WeakPolarHBondContact O-CG 3.37Å; W129-Q133 PolarHBondContact O-N 2.94Å; W129-Q133 PolarHBondContact O-NE2 3.5Å; W129-W163 HydrophobicContact CZ2-CZ3 4.21Å; W129-F325 HydrophobicContact CB-CE2 4.18Å; W129-F325 HydrophobicContact CB-CZ 3.9Å; W129-F325 HydrophobicContact CE3-CB 4.43Å; W129-F325 AromaticContact CE3-CD1 3.86Å; W129-F325 HydrophobicContact CE3-CD1 3.86Å; W129-F325 AromaticContact CE3-CD2 3.74Å; W129-F325 HydrophobicContact CE3-CD2 3.74Å; W129-F325 AromaticContact CE3-CE1 3.92Å; W129-F325 HydrophobicContact CE3-CE1 3.92Å; W129-F325 AromaticContact CE3-CE2 3.82Å; W129-F325 HydrophobicContact CE3-CE2 3.82Å; W129-F325 AromaticContact CE3-CG 3.76Å; W129-F325 HydrophobicContact CE3-CG 3.76Å; W129-F325 AromaticContact CE3-CZ 3.92Å; W129-F325 HydrophobicContact CE3-CZ 3.92Å; W129-F325 HydrophobicContact CZ3-CB 4.06Å; W129-F325 HydrophobicContact CZ3-CD1 4.13Å; W129-F325 HydrophobicContact CZ3-CD2 4.18Å; W129-F325 AromaticContact CZ3-CG 3.89Å; W129-F325 HydrophobicContact CZ3-CG 3.89Å; W129-L329 HydrophobicContact CD2-CD2 4.03Å; W129-L329 HydrophobicContact CE3-CD2 3.76Å; W129-L329 HydrophobicContact CH2-CB 4.48Å; W129-L329 HydrophobicContact CH2-CD2 4.03Å; W129-L329 HydrophobicContact CH2-CG 4.02Å; W129-L329 HydrophobicContact CZ2-CD2 4.26Å; W129-L329 HydrophobicContact CZ2-CG 4.31Å; W129-L329 HydrophobicContact CZ3-CB 4.47Å; W129-L329 HydrophobicContact CZ3-CD2 3.76Å; W129-L329 HydrophobicContact CZ3-CG 4.17Å; W129-Q330 HydrophobicContact CH2-CB 4.16Å; W129-L333 HydrophobicContact CZ2-CD1 3.75Å; W129-L396 HydrophobicContact CB-CD1 4.09Å; W129-L396 HydrophobicContact CB-CD2 4.07Å; W129-L396 HydrophobicContact CD2-CD1 4.35Å; W129-L396 HydrophobicContact CG-CD1 4.04Å; W129-L396 HydrophobicContact CG-CD2 4.11Å |
| 130 | I | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | 174.3 | -70.3 | 165.1 | 0 | 0 | 0 | 110.8 | L112 L122 E126 K127 K128 F132 Q133 I134 I158 I164 L255 | L112-I130 HydrophobicContact CD1-CD1 4.13Å; L112-I130 HydrophobicContact CD1-CG2 4.07Å; L112-I130 HydrophobicContact CD2-CG2 3.84Å; L122-I130 HydrophobicContact CD1-CD1 3.69Å; L122-I130 HydrophobicContact CD2-CD1 3.94Å; L122-I130 HydrophobicContact CG-CD1 4.46Å; E126-I130 VanDerWaalsContact O-CG1 3.31Å; E126-I130 WeakPolarHBondContact O-CG1 3.29Å; E126-I130 PolarHBondContact O-N 3.42Å; K127-I130 PolarHBondContact O-N 3.14Å; K128-I130 PolarHBondContact O-N 2.96Å; I130-F132 VanDerWaalsContact C-N 3.35Å; I130-F132 PolarHBondContact O-N 3.4Å; I130-Q133 PolarHBondContact O-N 2.9Å; I130-I134 HydrophobicContact CG2-CD1 3.8Å; I130-I134 HydrophobicContact CG2-CG1 4.5Å; I130-I134 WeakPolarHBondContact O-CG1 3.43Å; I130-I134 PolarHBondContact O-N 3.3Å; I130-I158 HydrophobicContact CD1-CD1 3.83Å; I130-I158 HydrophobicContact CG1-CD1 4.27Å; I130-I164 HydrophobicContact CB-CD1 4.46Å; I130-I164 HydrophobicContact CB-CG1 4.45Å; I130-I164 HydrophobicContact CG1-CD1 4.18Å; I130-I164 HydrophobicContact CG1-CG1 4.34Å; I130-I164 HydrophobicContact CG2-CD1 3.8Å; I130-I164 HydrophobicContact CG2-CG1 4.08Å; I130-L255 HydrophobicContact CB-CD2 4.37Å; I130-L255 HydrophobicContact CG2-CD2 3.82Å |
| 131 | T | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 178 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | K127 K128 Q133 I134 L135 L252 W256 F321 | K127-T131 WeakPolarHBondContact O-CB 3.43Å; K127-T131 PolarHBondContact O-N 3.28Å; K127-T131 PolarHBondContact O-OG1 3.42Å; K128-T131 WeakPolarHBondContact O-CB 3.44Å; K128-T131 PolarHBondContact O-N 3.15Å; T131-Q133 PolarHBondContact O-N 3.02Å; T131-I134 PolarHBondContact O-N 3.41Å; T131-L135 PolarHBondContact O-N 3.31Å; T131-L135 VanDerWaalsContact O-N 3.14Å; T131-L252 HydrophobicContact CG2-CD1 3.9Å; T131-L252 HydrophobicContact CG2-CD2 3.85Å; T131-L252 HydrophobicContact CG2-CG 4.47Å; T131-W256 PolarHBondContact OG1-NE1 3.01Å; T131-W256 VanDerWaalsContact OG1-NE1 3.1Å; T131-F321 HydrophobicContact CG2-CE1 4.14Å; T131-F321 HydrophobicContact CG2-CZ 3.87Å |
| 132 | F | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 0% | 0.004 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.4 | -50.1 | 175.2 | 173.6 | -98 | 0 | 0 | 0 | 111.7 | K128 W129 I130 I134 L135 C136 L313 F321 F325 Y326 Q330 | K128-F132 WeakPolarHBondContact O-CB 3.46Å; K128-F132 PolarHBondContact O-N 3.11Å; W129-F132 AromaticContact CE3-CD1 3.84Å; W129-F132 HydrophobicContact CE3-CD1 3.84Å; W129-F132 HydrophobicContact CE3-CE1 4.48Å; W129-F132 HydrophobicContact CH2-CD1 4.15Å; W129-F132 HydrophobicContact CH2-CE1 4.14Å; W129-F132 AromaticContact CZ3-CD1 3.43Å; W129-F132 HydrophobicContact CZ3-CD1 3.43Å; W129-F132 VanDerWaalsContact CZ3-CD1 3.43Å; W129-F132 AromaticContact CZ3-CE1 3.65Å; W129-F132 HydrophobicContact CZ3-CE1 3.65Å; W129-F132 HydrophobicContact CZ3-CG 4.46Å; I130-F132 VanDerWaalsContact C-N 3.35Å; I130-F132 PolarHBondContact O-N 3.4Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 3.04Å; F132-L135 PolarHBondContact O-N 3.48Å; F132-C136 VanDerWaalsContact CE1-SG 3.59Å; F132-C136 PolarHBondContact O-N 3.22Å; F132-C136 PolarHBondContact O-SG 2.88Å; F132-L313 HydrophobicContact CD2-CD2 3.58Å; F132-L313 HydrophobicContact CE2-CD2 3.65Å; F132-F321 HydrophobicContact CB-CD1 3.91Å; F132-F321 HydrophobicContact CB-CE1 3.9Å; F132-F321 HydrophobicContact CB-CG 4.41Å; F132-F321 HydrophobicContact CB-CZ 4.39Å; F132-F321 HydrophobicContact CD2-CB 4.41Å; F132-F321 HydrophobicContact CD2-CD1 4.44Å; F132-F321 HydrophobicContact CD2-CD2 4.22Å; F132-F321 HydrophobicContact CD2-CG 4.1Å; F132-F325 HydrophobicContact CB-CD2 4.06Å; F132-F325 HydrophobicContact CB-CE2 4.38Å; F132-F325 HydrophobicContact CD1-CB 4.47Å; F132-F325 HydrophobicContact CD1-CD2 4.32Å; F132-F325 HydrophobicContact CD2-CD2 4.32Å; F132-F325 HydrophobicContact CE1-CB 4.32Å; F132-F325 HydrophobicContact CE2-CB 4.36Å; F132-F325 AromaticContact CG-CD2 3.97Å; F132-F325 HydrophobicContact CG-CD2 3.97Å; F132-F325 HydrophobicContact CZ-CB 4.26Å; F132-Y326 HydrophobicContact CD2-CE2 4.33Å; F132-Y326 AromaticContact CE2-CD1 3.91Å; F132-Y326 HydrophobicContact CE2-CD1 3.91Å; F132-Y326 HydrophobicContact CE2-CD2 4.17Å; F132-Y326 AromaticContact CE2-CE1 3.59Å; F132-Y326 HydrophobicContact CE2-CE1 3.59Å; F132-Y326 AromaticContact CE2-CE2 3.81Å; F132-Y326 HydrophobicContact CE2-CE2 3.81Å; F132-Y326 HydrophobicContact CE2-CG 4.2Å; F132-Y326 AromaticContact CE2-CZ 3.5Å; F132-Y326 HydrophobicContact CZ-CD1 4.26Å; F132-Y326 HydrophobicContact CZ-CE1 4.37Å; F132-Y326 HydrophobicContact CZ-CG 4.42Å; F132-Q330 HydrophobicContact CE1-CB 4.15Å; F132-Q330 HydrophobicContact CE1-CG 4.29Å |
| 133 | Q | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.4 | -34.8 | 179.6 | -72.7 | 176.8 | 85.5 | 0 | 0 | 113.4 | W129 I130 T131 C136 A137 N162 I164 | W129-Q133 HydrophobicContact CD2-CG 4.39Å; W129-Q133 HydrophobicContact CH2-CG 4.32Å; W129-Q133 HydrophobicContact CZ2-CG 3.96Å; W129-Q133 WeakPolarHBondContact O-CG 3.37Å; W129-Q133 PolarHBondContact O-N 2.94Å; W129-Q133 PolarHBondContact O-NE2 3.5Å; I130-Q133 PolarHBondContact O-N 2.9Å; T131-Q133 PolarHBondContact O-N 3.02Å; Q133-C136 WeakPolarHBondContact O-CB 3.38Å; Q133-C136 PolarHBondContact O-N 3.23Å; Q133-A137 PolarHBondContact O-N 3.48Å; Q133-N162 PolarHBondContact NE2-O 3.41Å; Q133-I164 HydrophobicContact CB-CB 3.92Å; Q133-I164 HydrophobicContact CB-CG1 4.03Å |
| 134 | I | 98.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 175 | -70.6 | 164.2 | 0 | 0 | 0 | 110.2 | L112 I130 T131 F132 C136 A137 L138 I156 I164 A248 L252 | L112-I134 HydrophobicContact CD2-CD1 4.01Å; I130-I134 HydrophobicContact CG2-CD1 3.8Å; I130-I134 HydrophobicContact CG2-CG1 4.5Å; I130-I134 WeakPolarHBondContact O-CG1 3.43Å; I130-I134 PolarHBondContact O-N 3.3Å; T131-I134 PolarHBondContact O-N 3.41Å; F132-I134 VanDerWaalsContact C-N 3.34Å; F132-I134 PolarHBondContact O-N 3.04Å; I134-C136 VanDerWaalsContact C-N 3.34Å; I134-C136 PolarHBondContact O-N 3.12Å; I134-A137 WeakPolarHBondContact O-CB 3.45Å; I134-A137 PolarHBondContact O-N 3.4Å; I134-L138 HydrophobicContact CG2-CD1 4.31Å; I134-L138 WeakPolarHBondContact O-CG 3.35Å; I134-L138 PolarHBondContact O-N 3.33Å; I134-I156 HydrophobicContact CD1-CD1 3.97Å; I134-I156 HydrophobicContact CD1-CG2 4.28Å; I134-I156 HydrophobicContact CG1-CD1 4.35Å; I134-I156 HydrophobicContact CG1-CG2 4.26Å; I134-I164 HydrophobicContact CG1-CG2 4.09Å; I134-A248 HydrophobicContact CG2-CB 4.38Å; I134-L252 HydrophobicContact CB-CD2 4.48Å; I134-L252 HydrophobicContact CD1-CD2 3.55Å |
| 135 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 174.5 | -67.7 | 173.4 | 0 | 0 | 0 | 111.7 | T131 F132 A137 L138 N139 M298 L313 F321 | T131-L135 PolarHBondContact O-N 3.31Å; T131-L135 VanDerWaalsContact O-N 3.14Å; F132-L135 PolarHBondContact O-N 3.48Å; L135-A137 PolarHBondContact O-N 3.04Å; L135-L138 PolarHBondContact O-N 3.44Å; L135-N139 WeakPolarHBondContact O-CB 3.49Å; L135-N139 PolarHBondContact O-N 2.96Å; L135-M298 HydrophobicContact CD2-CE 3.91Å; L135-M298 HydrophobicContact CD2-SD 4.26Å; L135-L313 HydrophobicContact CB-CD1 4.22Å; L135-L313 HydrophobicContact CB-CD2 3.79Å; L135-L313 HydrophobicContact CB-CG 3.88Å; L135-L313 HydrophobicContact CD1-CD2 4.25Å; L135-F321 HydrophobicContact CD1-CE2 4Å; L135-F321 HydrophobicContact CD1-CZ 4.06Å |
| 136 | C | 96.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.041 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 172.7 | -67 | 0 | 0 | 0 | 0 | 112.3 | F132 Q133 I134 L138 N139 Q140 Q330 | F132-C136 VanDerWaalsContact CE1-SG 3.59Å; F132-C136 PolarHBondContact O-N 3.22Å; F132-C136 PolarHBondContact O-SG 2.88Å; Q133-C136 WeakPolarHBondContact O-CB 3.38Å; Q133-C136 PolarHBondContact O-N 3.23Å; I134-C136 VanDerWaalsContact C-N 3.34Å; I134-C136 PolarHBondContact O-N 3.12Å; C136-L138 VanDerWaalsContact C-N 3.32Å; C136-L138 PolarHBondContact O-N 3.05Å; C136-N139 PolarHBondContact O-N 3.19Å; C136-Q140 WeakPolarHBondContact O-CB 3.41Å; C136-Q140 WeakPolarHBondContact O-CG 3.49Å; C136-Q140 PolarHBondContact O-N 2.91Å; C136-Q330 PolarHBondContact SG-NE2 3.5Å |
| 137 | A | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N87 Q133 I134 L135 Q140 C141 L166 | N87-A137 HydrophobicContact CB-CB 3.67Å; Q133-A137 PolarHBondContact O-N 3.48Å; I134-A137 WeakPolarHBondContact O-CB 3.45Å; I134-A137 PolarHBondContact O-N 3.4Å; L135-A137 PolarHBondContact O-N 3.04Å; A137-Q140 PolarHBondContact O-N 3.23Å; A137-C141 PolarHBondContact O-N 3.06Å; A137-C141 VanDerWaalsContact O-N 3.1Å; A137-C141 PolarHBondContact O-SG 3.42Å; A137-C141 VanDerWaalsContact O-SG 3.35Å; A137-L166 HydrophobicContact CB-CB 4.1Å; A137-L166 HydrophobicContact CB-CD2 4.36Å |
| 138 | L | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66 | -44.5 | 176.7 | -66.8 | 167.8 | 0 | 0 | 0 | 111.7 | I134 L135 C136 Q140 C141 H142 I151 L166 D244 I245 A248 A309 | I134-L138 HydrophobicContact CG2-CD1 4.31Å; I134-L138 WeakPolarHBondContact O-CG 3.35Å; I134-L138 PolarHBondContact O-N 3.33Å; L135-L138 PolarHBondContact O-N 3.44Å; C136-L138 VanDerWaalsContact C-N 3.32Å; C136-L138 PolarHBondContact O-N 3.05Å; L138-Q140 VanDerWaalsContact C-N 3.32Å; L138-Q140 PolarHBondContact O-N 3.13Å; L138-C141 PolarHBondContact O-N 3.35Å; L138-C141 PolarHBondContact O-SG 3.48Å; L138-H142 WeakPolarHBondContact O-CB 3.41Å; L138-H142 PolarHBondContact O-N 3.29Å; L138-I151 HydrophobicContact CD2-CD1 3.39Å; L138-L166 HydrophobicContact CD2-CD2 4.37Å; L138-D244 HydrophobicContact CD2-CB 4.17Å; L138-I245 HydrophobicContact CD1-CD1 4.23Å; L138-A248 HydrophobicContact CD1-CB 3.53Å; L138-A309 HydrophobicContact CB-CB 3.78Å |
| 139 | N | 96.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 16% | 0.155 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 174.9 | -171.4 | 13.7 | 0 | 0 | 0 | 111.3 | L135 C136 C141 K143 A309 L313 | L135-N139 WeakPolarHBondContact O-CB 3.49Å; L135-N139 PolarHBondContact O-N 2.96Å; C136-N139 PolarHBondContact O-N 3.19Å; N139-C141 PolarHBondContact O-N 2.83Å; N139-K143 VanDerWaalsContact O-CB 3.32Å; N139-K143 WeakPolarHBondContact O-CB 3.27Å; N139-K143 WeakPolarHBondContact O-CG 3.4Å; N139-K143 PolarHBondContact O-N 3.14Å; N139-K143 VanDerWaalsContact OD1-CD 3.32Å; N139-K143 WeakPolarHBondContact OD1-CD 3.49Å; N139-K143 WeakPolarHBondContact OD1-CE 3.28Å; N139-A309 HydrophobicContact CB-CB 4.15Å; N139-L313 HydrophobicContact CB-CD1 4.26Å |
| 140 | Q | 94.9 | Very high | 95.2 | Very high | 36 Ų | 36 | 26.2 Ų | 26.2 | 17% | 0.168 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.3 | -46.4 | 179 | -74.3 | 166.4 | 24.3 | 0 | 0 | 112.3 | A85 N87 C136 A137 L138 | A85-Q140 VanDerWaalsContact CA-OE1 3.25Å; A85-Q140 HydrophobicContact CB-CB 3.93Å; N87-Q140 VanDerWaalsContact N-OE1 3.08Å; N87-Q140 PolarHBondContact OD1-NE2 3.18Å; C136-Q140 WeakPolarHBondContact O-CB 3.41Å; C136-Q140 WeakPolarHBondContact O-CG 3.49Å; C136-Q140 PolarHBondContact O-N 2.91Å; A137-Q140 PolarHBondContact O-N 3.23Å; L138-Q140 VanDerWaalsContact C-N 3.32Å; L138-Q140 PolarHBondContact O-N 3.13Å |
| 141 | C | 94.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -78.7 | -39.6 | -179.3 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | L80 A137 L138 N139 K143 Q144 K145 I146 F169 | L80-C141 HydrophobicContact CD2-CB 3.93Å; A137-C141 PolarHBondContact O-N 3.06Å; A137-C141 VanDerWaalsContact O-N 3.1Å; A137-C141 PolarHBondContact O-SG 3.42Å; A137-C141 VanDerWaalsContact O-SG 3.35Å; L138-C141 PolarHBondContact O-N 3.35Å; L138-C141 PolarHBondContact O-SG 3.48Å; N139-C141 PolarHBondContact O-N 2.83Å; C141-K143 PolarHBondContact O-N 3.38Å; C141-Q144 CarbonylContact O-C 3.57Å; C141-Q144 WeakPolarHBondContact O-CA 3.3Å; C141-Q144 PolarHBondContact O-N 3.21Å; C141-Q144 VanDerWaalsContact O-N 3.08Å; C141-K145 PolarHBondContact O-N 3.42Å; C141-I146 CarbonylContact C-O 3.59Å; C141-I146 HydrophobicContact CB-CB 4.41Å; C141-I146 PolarHBondContact O-N 3.17Å; C141-F169 HydrophobicContact CB-CE1 4.12Å; C141-F169 HydrophobicContact CB-CZ 4.42Å |
| 142 | H | 95.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 27 Ų | 27 | 13% | 0.134 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.2 | -34.9 | -179.4 | -66.8 | 171.5 | 0 | 0 | 0 | 112.4 | L138 Q144 K145 I146 D244 | L138-H142 WeakPolarHBondContact O-CB 3.41Å; L138-H142 PolarHBondContact O-N 3.29Å; H142-Q144 PolarHBondContact O-N 3.03Å; H142-K145 WeakPolarHBondContact O-CA 3.3Å; H142-K145 PolarHBondContact O-N 3.47Å; H142-I146 PolarHBondContact CD2-O 2.7Å; H142-D244 IonicContact CD2-OD2 3.74Å; H142-D244 IonicContact CE1-OD2 2.88Å; H142-D244 IonicContact NE2-OD2 3.99Å; H142-D244 PolarHBondContact NE2-OD2 3.21Å |
| 143 | K | 94.8 | Very high | 94.7 | Very high | 111 Ų | 111 | 26.9 Ų | 26.9 | 48% | 0.483 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -58.9 | -30.9 | 171.4 | -82 | -178.3 | 170.8 | 176.6 | 0 | 112.9 | N139 C141 K145 E310 | N139-K143 VanDerWaalsContact O-CB 3.32Å; N139-K143 WeakPolarHBondContact O-CB 3.27Å; N139-K143 WeakPolarHBondContact O-CG 3.4Å; N139-K143 PolarHBondContact O-N 3.14Å; N139-K143 VanDerWaalsContact OD1-CD 3.32Å; N139-K143 WeakPolarHBondContact OD1-CD 3.49Å; N139-K143 WeakPolarHBondContact OD1-CE 3.28Å; C141-K143 PolarHBondContact O-N 3.38Å; K143-K145 VanDerWaalsContact C-N 3.28Å; K143-E310 WeakPolarHBondContact CE-OE1 3.32Å; K143-E310 WeakPolarHBondContact CE-OE2 3.4Å; K143-E310 IonicContact NZ-OE1 3.82Å; K143-E310 PolarHBondContact NZ-OE1 2.82Å; K143-E310 IonicContact NZ-OE2 3.6Å; K143-E310 PolarHBondContact NZ-OE2 3.43Å |
| 144 | Q | 93.6 | Very high | 94.4 | Very high | 82 Ų | 82 | 28.4 Ų | 28.4 | 38% | 0.383 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10.2 | 174.9 | -56.9 | -52.1 | -44.9 | 0 | 0 | 113.4 | T79 A83 C141 H142 I146 | T79-Q144 HydrophobicContact CG2-CB 3.8Å; T79-Q144 HydrophobicContact CG2-CG 4.19Å; A83-Q144 HydrophobicContact CB-CG 3.6Å; C141-Q144 CarbonylContact O-C 3.57Å; C141-Q144 WeakPolarHBondContact O-CA 3.3Å; C141-Q144 PolarHBondContact O-N 3.21Å; C141-Q144 VanDerWaalsContact O-N 3.08Å; H142-Q144 PolarHBondContact O-N 3.03Å; Q144-I146 HydrophobicContact CB-CD1 4.22Å; Q144-I146 HydrophobicContact CB-CG1 4.44Å; Q144-I146 PolarHBondContact O-N 3.27Å |
| 145 | K | 91.1 | Very high | 94.2 | Very high | 194 Ų | 194 | 28.6 Ų | 28.6 | 84% | 0.843 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 27 | -176.7 | -53.3 | 179.6 | -179.6 | 178.4 | 0 | 113.5 | C141 H142 K143 | C141-K145 PolarHBondContact O-N 3.42Å; H142-K145 WeakPolarHBondContact O-CA 3.3Å; H142-K145 PolarHBondContact O-N 3.47Å; K143-K145 VanDerWaalsContact C-N 3.28Å |
| 146 | I | 92.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | trans | -103.2 | 120.6 | 177.2 | -66.5 | 169.4 | 0 | 0 | 0 | 108.6 | I76 T79 L80 C141 H142 Q144 F169 | I76-I146 HydrophobicContact CG1-CD1 4.41Å; I76-I146 HydrophobicContact CG1-CG2 4.24Å; I76-I146 HydrophobicContact CG2-CD1 4.4Å; I76-I146 HydrophobicContact CG2-CG2 4.21Å; T79-I146 HydrophobicContact CG2-CD1 3.87Å; L80-I146 HydrophobicContact CD2-CD1 3.89Å; L80-I146 HydrophobicContact CG-CD1 3.81Å; C141-I146 CarbonylContact C-O 3.59Å; C141-I146 HydrophobicContact CB-CB 4.41Å; C141-I146 PolarHBondContact O-N 3.17Å; H142-I146 PolarHBondContact CD2-O 2.7Å; Q144-I146 HydrophobicContact CB-CD1 4.22Å; Q144-I146 HydrophobicContact CB-CG1 4.44Å; Q144-I146 PolarHBondContact O-N 3.27Å; I146-F169 HydrophobicContact CG2-CD1 3.96Å; I146-F169 HydrophobicContact CG2-CE1 3.99Å | ||
| 147 | C | 93.3 | Very high | 94.2 | Very high | 20 Ų | 20 | 28.6 Ų | 28.6 | 14% | 0.135 | 13% | 0.134 | C | C | . | . | trans | -99.8 | 147.8 | 170.3 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | L239 D244 | C147-L239 HydrophobicContact CB-CB 3.63Å; C147-L239 HydrophobicContact CB-CD1 4.37Å; C147-L239 PolarHBondContact SG-O 2.97Å; C147-L239 VanDerWaalsContact SG-O 3.42Å; C147-D244 VanDerWaalsContact CA-OD2 3.26Å; C147-D244 WeakPolarHBondContact CA-OD2 3.49Å; C147-D244 WeakPolarHBondContact CB-OD2 3.49Å | ||
| 148 | H | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -81.2 | -50.4 | -178 | -172.7 | -67.4 | 0 | 0 | 0 | 112.8 | D150 I151 L166 S167 D168 F169 A170 D244 | H148-D150 PolarHBondContact CE1-O 3.35Å; H148-D150 PolarHBondContact ND1-N 3.3Å; H148-D150 PolarHBondContact O-N 3.39Å; H148-I151 HydrophobicContact CB-CD1 4.07Å; H148-I151 HydrophobicContact CB-CG1 3.78Å; H148-L166 VanDerWaalsContact CD2-CG 3.5Å; H148-L166 WeakPolarHBondContact CD2-CG 3.43Å; H148-S167 PolarHBondContact CE1-O 3.38Å; H148-S167 PolarHBondContact NE2-O 2.88Å; H148-D168 PolarHBondContact CE1-O 2.88Å; H148-F169 HydrophobicContact CB-CD1 4.23Å; H148-F169 HydrophobicContact CB-CE1 4.33Å; H148-F169 AromaticContact CD2-CD1 3.87Å; H148-F169 AromaticContact CD2-CE1 3.96Å; H148-F169 AromaticContact CD2-CG 3.98Å; H148-A170 PolarHBondContact O-N 3.08Å; H148-D244 PolarHBondContact N-OD1 2.93Å; H148-D244 PolarHBondContact N-OD2 3.24Å | ||
| 149 | G | 90 | Very high | 93.9 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 81.3 | 1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | R203 D244 | G149-R203 PolarHBondContact O-NH1 3.46Å; G149-D244 PolarHBondContact N-OD1 2.77Å |
| 150 | D | 91.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | trans | -158.7 | 48 | -176.6 | -167.7 | 53.2 | 0 | 0 | 0 | 111.8 | H148 K152 N155 A170 K173 F189 | H148-D150 PolarHBondContact CE1-O 3.35Å; H148-D150 PolarHBondContact ND1-N 3.3Å; H148-D150 PolarHBondContact O-N 3.39Å; D150-K152 IonicContact OD2-NZ 2.71Å; D150-N155 PolarHBondContact O-ND2 3Å; D150-N155 PolarHBondContact OD2-ND2 2.88Å; D150-A170 HydrophobicContact CB-CB 3.51Å; D150-K173 HydrophobicContact CB-CD 4.4Å; D150-K173 IonicContact OD1-NZ 2.91Å; D150-K173 PolarHBondContact OD1-NZ 3.26Å; D150-K173 IonicContact OD2-NZ 3.29Å; D150-K173 PolarHBondContact OD2-NZ 3.46Å; D150-F189 VanDerWaalsContact OD1-CD1 3.22Å; D150-F189 WeakPolarHBondContact OD1-CD1 3.29Å | ||
| 151 | I | 95.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -77.5 | 128.7 | 180 | -58.8 | 175.2 | 0 | 0 | 0 | 109.4 | L138 H148 I156 L166 Y198 D244 A248 | L138-I151 HydrophobicContact CD2-CD1 3.39Å; H148-I151 HydrophobicContact CB-CD1 4.07Å; H148-I151 HydrophobicContact CB-CG1 3.78Å; I151-I156 HydrophobicContact CG2-CD1 4.15Å; I151-I156 HydrophobicContact CG2-CG1 4.47Å; I151-L166 HydrophobicContact CG1-CD1 4.35Å; I151-Y198 WeakPolarHBondContact O-CB 3.46Å; I151-D244 HydrophobicContact CD1-CB 3.68Å; I151-A248 HydrophobicContact CD1-CB 4.45Å; I151-A248 HydrophobicContact CG2-CB 4.28Å | ||
| 152 | K | 92.8 | Very high | 93.4 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | trans | -162.5 | 164.1 | 177.6 | 58.7 | -174.6 | 179.1 | -175 | 0 | 109.3 | D150 E154 N155 I156 T191 Y198 | D150-K152 IonicContact OD2-NZ 2.71Å; K152-E154 WeakPolarHBondContact CB-OE2 3.39Å; K152-E154 HydrophobicContact CD-CB 4.49Å; K152-E154 VanDerWaalsContact CD-OE2 3.31Å; K152-E154 WeakPolarHBondContact CD-OE2 3.28Å; K152-E154 HydrophobicContact CG-CB 4.36Å; K152-E154 VanDerWaalsContact CG-OE2 3.26Å; K152-E154 WeakPolarHBondContact CG-OE2 3.43Å; K152-E154 PolarHBondContact O-N 3.19Å; K152-E154 VanDerWaalsContact O-N 3.15Å; K152-N155 WeakPolarHBondContact CE-ND2 3.13Å; K152-N155 WeakPolarHBondContact CE-OD1 3.42Å; K152-N155 HydrophobicContact CG-CB 4.07Å; K152-N155 PolarHBondContact O-N 3.44Å; K152-I156 WeakPolarHBondContact O-CG1 3.43Å; K152-I156 PolarHBondContact O-N 3.43Å; K152-T191 PolarHBondContact NZ-OG1 2.79Å; K152-T191 VanDerWaalsContact NZ-OG1 3.12Å; K152-Y198 HydrophobicContact CB-CD1 4.36Å; K152-Y198 HydrophobicContact CB-CD2 3.8Å; K152-Y198 HydrophobicContact CB-CE1 4.49Å; K152-Y198 HydrophobicContact CB-CE2 3.95Å; K152-Y198 HydrophobicContact CB-CG 4.05Å | ||
| 153 | L | 93.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28 | -177.3 | -70.2 | -168.2 | 0 | 0 | 0 | 113.9 | L112 Y113 V116 N155 A251 E254 | L112-L153 HydrophobicContact CB-CD2 4.2Å; L112-L153 HydrophobicContact CD2-CD2 3.61Å; L112-L153 HydrophobicContact CG-CD2 3.86Å; L112-L153 PolarHBondContact N-O 2.78Å; Y113-L153 HydrophobicContact CD2-CD1 4.49Å; Y113-L153 PolarHBondContact N-O 3.11Å; V116-L153 HydrophobicContact CG2-CD1 4.46Å; L153-N155 VanDerWaalsContact C-N 3.34Å; L153-A251 HydrophobicContact CD2-CB 4.03Å; L153-A251 WeakPolarHBondContact CD2-O 3.42Å; L153-A251 HydrophobicContact CG-CB 4.48Å; L153-E254 HydrophobicContact CD1-CB 4.08Å; L153-E254 HydrophobicContact CD1-CG 3.59Å; L153-E254 WeakPolarHBondContact CD1-OE2 3.47Å; L153-E254 HydrophobicContact CG-CG 4.48Å; L153-E254 WeakPolarHBondContact CG-OE2 3.44Å |
| 154 | E | 91.2 | Very high | 93.5 | Very high | 34 Ų | 34 | 25.6 Ų | 25.6 | 16% | 0.159 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -26.1 | 177.8 | -57.8 | 89.2 | 160.1 | 0 | 0 | 113.1 | Y113 K152 S192 R194 | Y113-E154 HydrophobicContact CG-CG 4.49Å; K152-E154 WeakPolarHBondContact CB-OE2 3.39Å; K152-E154 HydrophobicContact CD-CB 4.49Å; K152-E154 VanDerWaalsContact CD-OE2 3.31Å; K152-E154 WeakPolarHBondContact CD-OE2 3.28Å; K152-E154 HydrophobicContact CG-CB 4.36Å; K152-E154 VanDerWaalsContact CG-OE2 3.26Å; K152-E154 WeakPolarHBondContact CG-OE2 3.43Å; K152-E154 PolarHBondContact O-N 3.19Å; K152-E154 VanDerWaalsContact O-N 3.15Å; E154-S192 PolarHBondContact OE1-OG 2.84Å; E154-R194 IonicContact OE1-NH1 2.8Å; E154-R194 PolarHBondContact OE1-NH1 3.15Å |
| 155 | N | 93.6 | Very high | 93.6 | Very high | 11 Ų | 11 | 22.9 Ų | 22.9 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -12.9 | -179.8 | -71.3 | -6.1 | 0 | 0 | 0 | 112.6 | D150 K152 L153 L157 S167 | D150-N155 PolarHBondContact O-ND2 3Å; D150-N155 PolarHBondContact OD2-ND2 2.88Å; K152-N155 WeakPolarHBondContact CE-ND2 3.13Å; K152-N155 WeakPolarHBondContact CE-OD1 3.42Å; K152-N155 HydrophobicContact CG-CB 4.07Å; K152-N155 PolarHBondContact O-N 3.44Å; L153-N155 VanDerWaalsContact C-N 3.34Å; N155-L157 PolarHBondContact O-N 3.26Å; N155-S167 PolarHBondContact O-N 3.47Å; N155-S167 PolarHBondContact O-OG 2.72Å |
| 156 | I | 97.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 104.8 | 169.5 | -59.1 | 171.4 | 0 | 0 | 0 | 107.4 | S111 L112 I134 I151 K152 I164 L166 A251 | S111-I156 CarbonylContact C-O 3.27Å; L112-I156 HydrophobicContact CB-CB 4.14Å; L112-I156 HydrophobicContact CB-CG2 4.03Å; L112-I156 WeakPolarHBondContact CB-O 3.1Å; L112-I156 HydrophobicContact CD2-CB 4.45Å; L112-I156 HydrophobicContact CD2-CG2 3.95Å; L112-I156 PolarHBondContact N-O 2.84Å; I134-I156 HydrophobicContact CD1-CD1 3.97Å; I134-I156 HydrophobicContact CD1-CG2 4.28Å; I134-I156 HydrophobicContact CG1-CD1 4.35Å; I134-I156 HydrophobicContact CG1-CG2 4.26Å; I151-I156 HydrophobicContact CG2-CD1 4.15Å; I151-I156 HydrophobicContact CG2-CG1 4.47Å; K152-I156 WeakPolarHBondContact O-CG1 3.43Å; K152-I156 PolarHBondContact O-N 3.43Å; I156-I164 HydrophobicContact CG2-CD1 4.12Å; I156-I164 HydrophobicContact CG2-CG2 3.68Å; I156-L166 HydrophobicContact CG1-CD1 4.13Å; I156-A251 HydrophobicContact CD1-CB 4.09Å |
| 157 | L | 96.8 | Very high | 94 | Very high | 5 Ų | 5 | 13.1 Ų | 13.1 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 150.5 | -179.6 | -51.2 | 178.5 | 0 | 0 | 0 | 110.7 | L89 V108 N155 I164 L165 S167 | L89-L157 HydrophobicContact CD2-CD1 3.93Å; V108-L157 HydrophobicContact CB-CB 3.97Å; V108-L157 HydrophobicContact CB-CD1 3.84Å; V108-L157 HydrophobicContact CB-CG 4.41Å; V108-L157 HydrophobicContact CG1-CB 3.99Å; V108-L157 HydrophobicContact CG2-CB 4.18Å; V108-L157 HydrophobicContact CG2-CD1 3.75Å; N155-L157 PolarHBondContact O-N 3.26Å; L157-I164 WeakPolarHBondContact O-CA 3.18Å; L157-L165 HydrophobicContact CB-CB 4.29Å; L157-L165 WeakPolarHBondContact CB-O 3.48Å; L157-L165 PolarHBondContact N-O 3.02Å; L157-L165 PolarHBondContact O-N 3.45Å; L157-S167 VanDerWaalsContact CD1-OG 3.3Å; L157-S167 WeakPolarHBondContact CD1-OG 3.31Å; L157-S167 WeakPolarHBondContact CG-OG 3.47Å |
| 158 | I | 95.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.015 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 134.4 | -179.4 | -164.8 | 172.6 | 0 | 0 | 0 | 111.4 | V108 H110 L112 R115 I130 N162 W163 I164 | V108-I158 WeakPolarHBondContact CG1-O 3.43Å; H110-I158 HydrophobicContact CB-CG2 4.06Å; H110-I158 PolarHBondContact O-N 2.92Å; L112-I158 HydrophobicContact CD1-CD1 4.28Å; R115-I158 HydrophobicContact CB-CG2 3.83Å; R115-I158 HydrophobicContact CG-CD1 4.13Å; R115-I158 HydrophobicContact CG-CG2 4.27Å; I130-I158 HydrophobicContact CD1-CD1 3.83Å; I130-I158 HydrophobicContact CG1-CD1 4.27Å; I158-N162 HydrophobicContact CD1-CB 4.22Å; I158-W163 WeakPolarHBondContact CA-O 3.42Å; I158-I164 HydrophobicContact CB-CD1 4Å; I158-I164 HydrophobicContact CD1-CD1 3.91Å; I158-I164 HydrophobicContact CG1-CD1 3.81Å |
| 159 | T | 93.1 | Very high | 93.8 | Very high | 31 Ų | 31 | 12.8 Ų | 12.8 | 19% | 0.19 | 7% | 0.073 | C | C | . | . | trans | -81.3 | 170.9 | 174.5 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | W161 N162 W163 L165 | T159-W161 PolarHBondContact O-N 2.78Å; T159-W161 VanDerWaalsContact O-N 3.1Å; T159-W161 PolarHBondContact OG1-NE1 3.26Å; T159-N162 PolarHBondContact O-N 2.93Å; T159-W163 HydrophobicContact CG2-CB 4.11Å; T159-W163 PolarHBondContact N-O 2.94Å; T159-W163 WeakPolarHBondContact OG1-CA 3.37Å; T159-W163 WeakPolarHBondContact OG1-CB 3.5Å; T159-W163 PolarHBondContact OG1-N 2.98Å; T159-W163 PolarHBondContact OG1-O 2.99Å; T159-L165 HydrophobicContact CG2-CD1 4.37Å | ||
| 160 | S | 90.3 | Very high | 93.6 | Very high | 85 Ų | 85 | 12.8 Ų | 12.8 | 59% | 0.594 | 7% | 0.073 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.8 | 177.2 | 50.7 | 0 | 0 | 0 | 0 | 115.1 | S403 | S160-S403 WeakPolarHBondContact O-CB 3.48Š|
| 161 | W | 91.9 | Very high | 93.2 | Very high | 18 Ų | 18 | 13.2 Ų | 13.2 | 7% | 0.068 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 24.4 | 178.5 | 58.1 | -73.3 | 0 | 0 | 0 | 112.5 | T159 W163 L333 F336 V400 | T159-W161 PolarHBondContact O-N 2.78Å; T159-W161 VanDerWaalsContact O-N 3.1Å; T159-W161 PolarHBondContact OG1-NE1 3.26Å; W161-W163 VanDerWaalsContact C-N 3.27Å; W161-W163 HydrophobicContact CD2-CB 3.94Å; W161-W163 HydrophobicContact CE3-CB 4.12Å; W161-W163 HydrophobicContact CH2-CB 3.79Å; W161-W163 AromaticContact CH2-CD2 3.67Å; W161-W163 HydrophobicContact CH2-CD2 3.67Å; W161-W163 AromaticContact CH2-CE3 3.56Å; W161-W163 HydrophobicContact CH2-CE3 3.56Å; W161-W163 AromaticContact CH2-CG 3.8Å; W161-W163 HydrophobicContact CH2-CG 3.8Å; W161-W163 HydrophobicContact CH2-CZ3 4.36Å; W161-W163 HydrophobicContact CZ2-CB 3.54Å; W161-W163 HydrophobicContact CZ2-CD2 4.1Å; W161-W163 HydrophobicContact CZ2-CE3 4.41Å; W161-W163 AromaticContact CZ2-CG 3.74Å; W161-W163 HydrophobicContact CZ2-CG 3.74Å; W161-W163 HydrophobicContact CZ3-CB 4.08Å; W161-W163 HydrophobicContact CZ3-CD2 4.22Å; W161-W163 AromaticContact CZ3-CE3 3.71Å; W161-W163 HydrophobicContact CZ3-CE3 3.71Å; W161-W163 HydrophobicContact CZ3-CG 4.41Å; W161-W163 PolarHBondContact O-N 3.46Å; W161-L333 HydrophobicContact CE3-CD1 4.47Å; W161-L333 HydrophobicContact CE3-CD2 4.36Å; W161-L333 HydrophobicContact CH2-CB 4.37Å; W161-L333 VanDerWaalsContact CH2-O 3.3Å; W161-L333 WeakPolarHBondContact CH2-O 3.38Å; W161-L333 HydrophobicContact CZ3-CB 3.77Å; W161-L333 HydrophobicContact CZ3-CD1 4.09Å; W161-L333 HydrophobicContact CZ3-CD2 3.91Å; W161-L333 HydrophobicContact CZ3-CG 4.1Å; W161-F336 HydrophobicContact CH2-CB 3.96Å; W161-F336 HydrophobicContact CZ2-CB 4.25Å; W161-F336 HydrophobicContact CZ3-CD2 4.48Å; W161-V400 HydrophobicContact CB-CB 4.44Å; W161-V400 HydrophobicContact CB-CG2 4.1Å; W161-V400 HydrophobicContact CD2-CG2 4.47Å; W161-V400 HydrophobicContact CE3-CG2 3.78Å |
| 162 | N | 93.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 13.7 Ų | 13.7 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | trans | 60.7 | 25.6 | 179 | -60 | -25.7 | 0 | 0 | 0 | 115.3 | E126 Q133 I158 T159 | E126-N162 PolarHBondContact OE1-ND2 2.63Å; Q133-N162 PolarHBondContact NE2-O 3.41Å; I158-N162 HydrophobicContact CD1-CB 4.22Å; T159-N162 PolarHBondContact O-N 2.93Å | ||
| 163 | W | 95.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.011 | 8% | 0.08 | C | C | . | . | trans | -80.1 | 130.7 | 168.5 | -170 | -97.5 | 0 | 0 | 0 | 111.1 | V86 N87 W129 I158 T159 W161 L333 Q334 S337 | V86-W163 HydrophobicContact CB-CZ2 4.26Å; V86-W163 HydrophobicContact CG2-CZ2 3.87Å; V86-W163 PolarHBondContact O-NE1 3.35Å; N87-W163 WeakPolarHBondContact ND2-CZ2 2.97Å; W129-W163 HydrophobicContact CZ2-CZ3 4.21Å; I158-W163 WeakPolarHBondContact CA-O 3.42Å; T159-W163 HydrophobicContact CG2-CB 4.11Å; T159-W163 PolarHBondContact N-O 2.94Å; T159-W163 WeakPolarHBondContact OG1-CA 3.37Å; T159-W163 WeakPolarHBondContact OG1-CB 3.5Å; T159-W163 PolarHBondContact OG1-N 2.98Å; T159-W163 PolarHBondContact OG1-O 2.99Å; W161-W163 VanDerWaalsContact C-N 3.27Å; W161-W163 HydrophobicContact CD2-CB 3.94Å; W161-W163 HydrophobicContact CE3-CB 4.12Å; W161-W163 HydrophobicContact CH2-CB 3.79Å; W161-W163 AromaticContact CH2-CD2 3.67Å; W161-W163 HydrophobicContact CH2-CD2 3.67Å; W161-W163 AromaticContact CH2-CE3 3.56Å; W161-W163 HydrophobicContact CH2-CE3 3.56Å; W161-W163 AromaticContact CH2-CG 3.8Å; W161-W163 HydrophobicContact CH2-CG 3.8Å; W161-W163 HydrophobicContact CH2-CZ3 4.36Å; W161-W163 HydrophobicContact CZ2-CB 3.54Å; W161-W163 HydrophobicContact CZ2-CD2 4.1Å; W161-W163 HydrophobicContact CZ2-CE3 4.41Å; W161-W163 AromaticContact CZ2-CG 3.74Å; W161-W163 HydrophobicContact CZ2-CG 3.74Å; W161-W163 HydrophobicContact CZ3-CB 4.08Å; W161-W163 HydrophobicContact CZ3-CD2 4.22Å; W161-W163 AromaticContact CZ3-CE3 3.71Å; W161-W163 HydrophobicContact CZ3-CE3 3.71Å; W161-W163 HydrophobicContact CZ3-CG 4.41Å; W161-W163 PolarHBondContact O-N 3.46Å; W163-L333 HydrophobicContact CE3-CB 4.18Å; W163-L333 HydrophobicContact CZ3-CB 3.74Å; W163-Q334 HydrophobicContact CH2-CB 3.99Å; W163-S337 WeakPolarHBondContact CZ2-OG 3.48Å | ||
| 164 | I | 96.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.2 | -174.9 | -63.6 | -66 | 0 | 0 | 0 | 111.9 | N87 I130 Q133 I134 I156 L157 I158 | N87-I164 PolarHBondContact ND2-O 3.07Å; I130-I164 HydrophobicContact CB-CD1 4.46Å; I130-I164 HydrophobicContact CB-CG1 4.45Å; I130-I164 HydrophobicContact CG1-CD1 4.18Å; I130-I164 HydrophobicContact CG1-CG1 4.34Å; I130-I164 HydrophobicContact CG2-CD1 3.8Å; I130-I164 HydrophobicContact CG2-CG1 4.08Å; Q133-I164 HydrophobicContact CB-CB 3.92Å; Q133-I164 HydrophobicContact CB-CG1 4.03Å; I134-I164 HydrophobicContact CG1-CG2 4.09Å; I156-I164 HydrophobicContact CG2-CD1 4.12Å; I156-I164 HydrophobicContact CG2-CG2 3.68Å; L157-I164 WeakPolarHBondContact O-CA 3.18Å; I158-I164 HydrophobicContact CB-CD1 4Å; I158-I164 HydrophobicContact CD1-CD1 3.91Å; I158-I164 HydrophobicContact CG1-CD1 3.81Å |
| 165 | L | 95.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 12.8 Ų | 12.8 | 13% | 0.126 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 108.7 | 175.4 | -63.7 | 172.2 | 0 | 0 | 0 | 109.7 | V86 N87 L89 V108 L157 T159 S167 | V86-L165 WeakPolarHBondContact O-CD2 3.44Å; N87-L165 CarbonylContact O-C 3.46Å; N87-L165 WeakPolarHBondContact O-CA 3.39Å; L89-L165 HydrophobicContact CB-CB 4.22Å; V108-L165 HydrophobicContact CG2-CD1 3.98Å; L157-L165 HydrophobicContact CB-CB 4.29Å; L157-L165 WeakPolarHBondContact CB-O 3.48Å; L157-L165 PolarHBondContact N-O 3.02Å; L157-L165 PolarHBondContact O-N 3.45Å; T159-L165 HydrophobicContact CG2-CD1 4.37Å; L165-S167 PolarHBondContact O-N 3.44Å |
| 166 | L | 97 | Very high | 91.1 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 113.6 | 173 | -178.7 | 62 | 0 | 0 | 0 | 109.3 | N87 L89 A137 L138 H148 I151 I156 F169 | N87-L166 PolarHBondContact O-N 3.06Å; L89-L166 PolarHBondContact N-O 3.44Å; A137-L166 HydrophobicContact CB-CB 4.1Å; A137-L166 HydrophobicContact CB-CD2 4.36Å; L138-L166 HydrophobicContact CD2-CD2 4.37Å; H148-L166 VanDerWaalsContact CD2-CG 3.5Å; H148-L166 WeakPolarHBondContact CD2-CG 3.43Å; I151-L166 HydrophobicContact CG1-CD1 4.35Å; I156-L166 HydrophobicContact CG1-CD1 4.13Å; L166-F169 HydrophobicContact CD2-CZ 4.37Å; L166-F169 WeakPolarHBondContact O-CE2 3.48Å |
| 167 | S | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 167 | -170.8 | 76.4 | 0 | 0 | 0 | 0 | 112.7 | H148 N155 L157 L165 | H148-S167 PolarHBondContact CE1-O 3.38Å; H148-S167 PolarHBondContact NE2-O 2.88Å; N155-S167 PolarHBondContact O-N 3.47Å; N155-S167 PolarHBondContact O-OG 2.72Å; L157-S167 VanDerWaalsContact CD1-OG 3.3Å; L157-S167 WeakPolarHBondContact CD1-OG 3.31Å; L157-S167 WeakPolarHBondContact CG-OG 3.47Å; L165-S167 PolarHBondContact O-N 3.44Å |
| 168 | D | 91.1 | Very high | 90 | Very high | 10 Ų | 10 | 17.7 Ų | 17.7 | 5% | 0.053 | 10% | 0.097 | C | C | . | . | trans | 67.5 | 46.2 | 171.4 | -59.2 | -40 | 0 | 0 | 0 | 114.4 | K55 F91 R105 H148 A170 | K55-D168 IonicContact NZ-OD1 3.54Å; K55-D168 PolarHBondContact NZ-OD1 2.92Å; K55-D168 IonicContact NZ-OD2 2.68Å; K55-D168 PolarHBondContact NZ-OD2 3.39Å; F91-D168 WeakPolarHBondContact CE1-OD1 3.22Å; F91-D168 HydrophobicContact CZ-CB 4.23Å; F91-D168 VanDerWaalsContact CZ-OD1 3.31Å; F91-D168 WeakPolarHBondContact CZ-OD1 3.48Å; R105-D168 IonicContact NE-OD1 3.62Å; R105-D168 PolarHBondContact NE-OD1 3.08Å; R105-D168 VanDerWaalsContact NE-OD1 3.14Å; R105-D168 IonicContact NE-OD2 2.77Å; R105-D168 IonicContact NH2-OD2 3.56Å; H148-D168 PolarHBondContact CE1-O 2.88Å; D168-A170 PolarHBondContact O-N 3.16Å; D168-A170 VanDerWaalsContact O-N 3.16Å | ||
| 169 | F | 92.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | trans | -51.1 | 117.9 | 173.3 | -73 | -100 | 0 | 0 | 0 | 111.7 | I76 L80 C88 C141 I146 H148 L166 S171 | I76-F169 HydrophobicContact CG2-CB 4.44Å; I76-F169 HydrophobicContact CG2-CD1 4.41Å; I76-F169 HydrophobicContact CG2-CG 4.28Å; L80-F169 HydrophobicContact CD1-CE1 4.07Å; L80-F169 HydrophobicContact CD1-CE2 4Å; L80-F169 HydrophobicContact CD1-CZ 3.73Å; C88-F169 HydrophobicContact CB-CE2 4.08Å; C88-F169 HydrophobicContact CB-CZ 3.9Å; C141-F169 HydrophobicContact CB-CE1 4.12Å; C141-F169 HydrophobicContact CB-CZ 4.42Å; I146-F169 HydrophobicContact CG2-CD1 3.96Å; I146-F169 HydrophobicContact CG2-CE1 3.99Å; H148-F169 HydrophobicContact CB-CD1 4.23Å; H148-F169 HydrophobicContact CB-CE1 4.33Å; H148-F169 AromaticContact CD2-CD1 3.87Å; H148-F169 AromaticContact CD2-CE1 3.96Å; H148-F169 AromaticContact CD2-CG 3.98Å; L166-F169 HydrophobicContact CD2-CZ 4.37Å; L166-F169 WeakPolarHBondContact O-CE2 3.48Å; F169-S171 PolarHBondContact O-N 3.28Å | ||
| 170 | A | 85.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | trans | -101.1 | 49.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113 | H148 D150 D168 F172 K173 | H148-A170 PolarHBondContact O-N 3.08Å; D150-A170 HydrophobicContact CB-CB 3.51Å; D168-A170 PolarHBondContact O-N 3.16Å; D168-A170 VanDerWaalsContact O-N 3.16Å; A170-F172 PolarHBondContact O-N 2.98Å; A170-K173 HydrophobicContact CB-CB 4.37Å; A170-K173 HydrophobicContact CB-CD 3.9Å; A170-K173 HydrophobicContact CB-CG 3.99Å; A170-K173 PolarHBondContact O-N 3.04Å; A170-K173 VanDerWaalsContact O-N 3.07Å | ||
| 171 | S | 83.1 | Confident | 88.3 | Confident | 22 Ų | 22 | 22.8 Ų | 22.8 | 15% | 0.154 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.1 | -178.5 | 64.9 | 0 | 0 | 0 | 0 | 114.6 | F169 | F169-S171 PolarHBondContact O-N 3.28Š|
| 172 | F | 81.5 | Confident | 87.8 | Confident | 13 Ų | 13 | 25.2 Ų | 25.2 | 6% | 0.057 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.1 | 178.6 | 50 | -99.6 | 0 | 0 | 0 | 114.2 | G2 L5 F39 F40 H69 L73 F91 I103 A170 | G2-F172 WeakPolarHBondContact CA-O 3.39Å; L5-F172 HydrophobicContact CD1-CB 4.08Å; F39-F172 HydrophobicContact CD1-CD2 4.48Å; F39-F172 HydrophobicContact CD1-CE2 4.25Å; F39-F172 AromaticContact CE1-CD2 3.59Å; F39-F172 HydrophobicContact CE1-CD2 3.59Å; F39-F172 AromaticContact CE1-CE2 3.73Å; F39-F172 HydrophobicContact CE1-CE2 3.73Å; F39-F172 HydrophobicContact CZ-CD2 4.27Å; F40-F172 HydrophobicContact CE2-CD2 4.42Å; F40-F172 HydrophobicContact CE2-CE1 4.49Å; F40-F172 AromaticContact CE2-CE2 3.54Å; F40-F172 HydrophobicContact CE2-CE2 3.54Å; F40-F172 AromaticContact CE2-CZ 3.58Å; F40-F172 HydrophobicContact CE2-CZ 3.58Å; F40-F172 HydrophobicContact CZ-CD2 4.49Å; F40-F172 HydrophobicContact CZ-CE1 4.37Å; F40-F172 AromaticContact CZ-CE2 3.93Å; F40-F172 HydrophobicContact CZ-CE2 3.93Å; F40-F172 AromaticContact CZ-CZ 3.86Å; F40-F172 HydrophobicContact CZ-CZ 3.86Å; H69-F172 WeakPolarHBondContact ND1-CB 3.32Å; L73-F172 HydrophobicContact CD1-CD1 4.47Å; L73-F172 HydrophobicContact CD2-CD1 4.35Å; L73-F172 HydrophobicContact CD2-CE1 4.42Å; F91-F172 HydrophobicContact CE2-CE1 4.46Å; I103-F172 HydrophobicContact CD1-CE1 4.45Å; A170-F172 PolarHBondContact O-N 2.98Å |
| 173 | K | 85.5 | Confident | 87.2 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 9% | 0.087 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -78 | 157.4 | 178.4 | -69.9 | -168 | -169.2 | -170.3 | 0 | 111.8 | D150 A170 F188 F189 | D150-K173 HydrophobicContact CB-CD 4.4Å; D150-K173 IonicContact OD1-NZ 2.91Å; D150-K173 PolarHBondContact OD1-NZ 3.26Å; D150-K173 IonicContact OD2-NZ 3.29Å; D150-K173 PolarHBondContact OD2-NZ 3.46Å; A170-K173 HydrophobicContact CB-CB 4.37Å; A170-K173 HydrophobicContact CB-CD 3.9Å; A170-K173 HydrophobicContact CB-CG 3.99Å; A170-K173 PolarHBondContact O-N 3.04Å; A170-K173 VanDerWaalsContact O-N 3.07Å; K173-F188 HydrophobicContact CD-CB 4.4Å; K173-F188 VanDerWaalsContact CE-O 3.3Å; K173-F188 WeakPolarHBondContact CE-O 3.39Å; K173-F188 HydrophobicContact CG-CD1 4.45Å; K173-F188 PolarHBondContact NZ-O 3.1Å; K173-F189 HydrophobicContact CB-CE1 4.28Å; K173-F189 HydrophobicContact CB-CZ 3.78Å; K173-F189 HydrophobicContact CD-CD1 3.98Å; K173-F189 HydrophobicContact CD-CE1 3.41Å; K173-F189 VanDerWaalsContact CD-CE1 3.41Å; K173-F189 HydrophobicContact CD-CE2 4.42Å; K173-F189 HydrophobicContact CD-CZ 3.67Å; K173-F189 HydrophobicContact CG-CE1 4.49Å; K173-F189 HydrophobicContact CG-CZ 4.34Å |
| 174 | P | 83.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.013 | 16% | 0.159 | C | C | . | . | trans | -70.4 | 135.6 | 177.7 | 28.1 | -32.8 | 0 | 0 | 0 | 112.5 | N3 L177 F188 F189 R203 | N3-P174 WeakPolarHBondContact OD1-CB 3.26Å; N3-P174 WeakPolarHBondContact OD1-CG 3.45Å; P174-L177 HydrophobicContact CG-CD2 3.93Å; P174-F188 HydrophobicContact CG-CD2 3.64Å; P174-F188 HydrophobicContact CG-CE2 3.92Å; P174-F188 HydrophobicContact CG-CG 4.11Å; P174-F189 HydrophobicContact CG-CE2 4.19Å; P174-R203 PolarHBondContact O-NH2 2.9Å | ||
| 175 | T | 85.8 | Confident | 86 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -67.3 | -49.8 | 177.3 | -47.5 | 0 | 0 | 0 | 0 | 111.3 | R203 N237 L239 | T175-R203 PolarHBondContact O-NE 3.09Å; T175-R203 PolarHBondContact O-NH2 3.1Å; T175-N237 PolarHBondContact OG1-O 2.65Å; T175-L239 HydrophobicContact CG2-CD2 3.92Å; T175-L239 HydrophobicContact CG2-CG 4.14Å |
| 176 | Y | 87.1 | Confident | 85.4 | Confident | 84 Ų | 84 | 29.5 Ų | 29.5 | 33% | 0.329 | 17% | 0.165 | S | C | . | . | trans | -110.2 | 145.9 | -179 | -59 | -73.9 | 0 | 0 | 0 | 110.9 | R203 V205 M243 | Y176-R203 CarbonylContact C-O 3.58Å; Y176-R203 VanDerWaalsContact CA-O 3.23Å; Y176-R203 WeakPolarHBondContact CA-O 3.45Å; Y176-V205 HydrophobicContact CD1-CG2 3.83Å; Y176-V205 HydrophobicContact CG-CG2 4.16Å; Y176-M243 HydrophobicContact CE1-CE 4.24Å | ||
| 177 | L | 86.3 | Confident | 84.7 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.3 | -177.9 | -65.5 | 171.3 | 0 | 0 | 0 | 109.7 | P174 D184 Y185 F189 I199 R203 F204 V205 | P174-L177 HydrophobicContact CG-CD2 3.93Å; L177-D184 HydrophobicContact CD2-CB 3.76Å; L177-Y185 HydrophobicContact CD1-CD2 4.44Å; L177-F189 HydrophobicContact CD1-CD2 3.99Å; L177-F189 HydrophobicContact CD1-CE2 3.98Å; L177-F189 HydrophobicContact CD2-CD2 4.43Å; L177-F189 HydrophobicContact CD2-CE2 4.08Å; L177-F189 HydrophobicContact CG-CE2 4.43Å; L177-I199 HydrophobicContact CD1-CG2 4.34Å; L177-R203 PolarHBondContact N-O 3.45Å; L177-F204 HydrophobicContact CB-CD1 3.99Å; L177-F204 HydrophobicContact CB-CE1 4.07Å; L177-F204 HydrophobicContact CD1-CE1 3.98Å; L177-F204 HydrophobicContact CD1-CZ 4.09Å; L177-F204 CarbonylContact O-C 3.51Å; L177-F204 VanDerWaalsContact O-CA 3.31Å; L177-F204 WeakPolarHBondContact O-CA 3.45Å; L177-V205 PolarHBondContact O-N 2.79Å |
| 178 | P | 84.6 | Confident | 84 | Confident | 33 Ų | 33 | 32 Ų | 32 | 21% | 0.214 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 135.6 | 173.1 | 27.6 | -31.7 | 0 | 0 | 0 | 110.7 | N181 | P178-N181 HydrophobicContact CG-CB 4.22Å |
| 179 | E | 80.3 | Confident | 83.7 | Confident | 37 Ų | 37 | 32 Ų | 32 | 17% | 0.173 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -71.2 | -35.6 | 177 | -174.3 | 169.3 | 176.8 | 0 | 0 | 112.1 | N181 V205 K206 L269 R272 | E179-N181 VanDerWaalsContact C-N 3.35Å; E179-N181 PolarHBondContact O-N 3.33Å; E179-V205 PolarHBondContact N-O 3.18Å; E179-K206 WeakPolarHBondContact OE2-CG 3.45Å; E179-L269 HydrophobicContact CG-CD2 3.94Å; E179-R272 IonicContact OE2-CZ 3.95Å; E179-R272 IonicContact OE2-NH1 2.7Å; E179-R272 PolarHBondContact OE2-NH1 3.35Å |
| 180 | D | 80.5 | Confident | 83 | Confident | 109 Ų | 109 | 33.1 Ų | 33.1 | 58% | 0.583 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -81.8 | -14.8 | -171.8 | -46.6 | -60.2 | 0 | 0 | 0 | 113.2 | T207 | D180-T207 WeakPolarHBondContact OD2-CB 3.47Å; D180-T207 PolarHBondContact OD2-N 3.24Å; D180-T207 PolarHBondContact OD2-OG1 3.5Å |
| 181 | N | 81.3 | Confident | 82 | Confident | 81 Ų | 81 | 34.7 Ų | 34.7 | 43% | 0.433 | 19% | 0.189 | S | C | . | . | trans | -130.2 | 107.3 | -176.7 | -174.7 | 2 | 0 | 0 | 0 | 111.9 | P178 E179 A183 | P178-N181 HydrophobicContact CG-CB 4.22Å; E179-N181 VanDerWaalsContact C-N 3.35Å; E179-N181 PolarHBondContact O-N 3.33Å; N181-A183 PolarHBondContact O-N 3.32Å; N181-A183 WeakPolarHBondContact OD1-CB 3.18Å; N181-A183 PolarHBondContact OD1-N 3.13Å | ||
| 182 | P | 82.6 | Confident | 81.1 | Confident | 68 Ų | 68 | 35.7 Ų | 35.7 | 44% | 0.442 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -4.2 | -179.9 | 31.7 | -36.3 | 0 | 0 | 0 | 113.9 | D184 Y185 T186 L265 | P182-D184 PolarHBondContact O-N 2.97Å; P182-Y185 WeakPolarHBondContact O-CB 3.31Å; P182-Y185 PolarHBondContact O-N 3.49Å; P182-T186 PolarHBondContact O-N 3.27Å; P182-T186 PolarHBondContact O-OG1 3.38Å; P182-L265 HydrophobicContact CB-CD2 3.68Å |
| 183 | A | 81.4 | Confident | 80.4 | Confident | 50 Ų | 50 | 45.9 Ų | 45.9 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -56.7 | -45.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N181 T186 Y187 | N181-A183 PolarHBondContact O-N 3.32Å; N181-A183 WeakPolarHBondContact OD1-CB 3.18Å; N181-A183 PolarHBondContact OD1-N 3.13Å; A183-T186 PolarHBondContact O-N 2.95Å; A183-Y187 VanDerWaalsContact O-CB 3.31Å; A183-Y187 WeakPolarHBondContact O-CB 3.3Å; A183-Y187 PolarHBondContact O-N 3.17Å |
| 184 | D | 80.7 | Confident | 79.9 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 16% | 0.155 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 179.7 | -73 | -10.3 | 0 | 0 | 0 | 111.4 | N3 L177 P182 Y187 F188 | N3-D184 PolarHBondContact ND2-OD2 3.19Å; L177-D184 HydrophobicContact CD2-CB 3.76Å; P182-D184 PolarHBondContact O-N 2.97Å; D184-Y187 PolarHBondContact O-N 3.02Å; D184-F188 WeakPolarHBondContact O-CD2 3.33Å; D184-F188 PolarHBondContact O-N 3.46Å |
| 185 | Y | 85.1 | Confident | 79.6 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 173.2 | 169.8 | -94.7 | 0 | 0 | 0 | 111 | L177 P182 Y187 F189 D190 T196 C197 I199 F204 L265 | L177-Y185 HydrophobicContact CD1-CD2 4.44Å; P182-Y185 WeakPolarHBondContact O-CB 3.31Å; P182-Y185 PolarHBondContact O-N 3.49Å; Y185-Y187 VanDerWaalsContact C-N 3.26Å; Y185-Y187 PolarHBondContact O-N 3.47Å; Y185-F189 HydrophobicContact CD2-CB 3.92Å; Y185-F189 HydrophobicContact CE2-CB 3.97Å; Y185-F189 WeakPolarHBondContact O-CA 3.04Å; Y185-F189 WeakPolarHBondContact O-CB 3.32Å; Y185-F189 PolarHBondContact O-N 2.7Å; Y185-D190 HydrophobicContact CD1-CB 4.31Å; Y185-D190 HydrophobicContact CE1-CB 3.82Å; Y185-D190 PolarHBondContact O-N 3.17Å; Y185-T196 VanDerWaalsContact OH-C 3.32Å; Y185-T196 PolarHBondContact OH-O 3.22Å; Y185-C197 HydrophobicContact CE2-CB 4.18Å; Y185-C197 WeakPolarHBondContact CE2-SG 3.32Å; Y185-C197 WeakPolarHBondContact OH-CA 3.18Å; Y185-C197 WeakPolarHBondContact OH-CB 3.38Å; Y185-I199 HydrophobicContact CE2-CG1 4.27Å; Y185-F204 HydrophobicContact CD2-CZ 4.35Å; Y185-L265 HydrophobicContact CD1-CB 4.44Å; Y185-L265 HydrophobicContact CD1-CD1 4.24Å; Y185-L265 HydrophobicContact CD1-CD2 3.67Å; Y185-L265 HydrophobicContact CD1-CG 4.34Å; Y185-L265 HydrophobicContact CD2-CD1 4.17Å; Y185-L265 HydrophobicContact CE1-CB 4Å; Y185-L265 HydrophobicContact CE1-CD1 4.39Å; Y185-L265 HydrophobicContact CE1-CD2 4.08Å; Y185-L265 HydrophobicContact CE1-CG 4.38Å; Y185-L265 HydrophobicContact CE2-CD1 4.32Å; Y185-L265 HydrophobicContact CG-CD1 4.11Å; Y185-L265 HydrophobicContact CG-CD2 4.14Å |
| 186 | T | 83.8 | Confident | 79.7 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -31.4 | -179.9 | -61 | 0 | 0 | 0 | 0 | 112.4 | P182 A183 | P182-T186 PolarHBondContact O-N 3.27Å; P182-T186 PolarHBondContact O-OG1 3.38Å; A183-T186 PolarHBondContact O-N 2.95Å |
| 187 | Y | 81.8 | Confident | 79.9 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75 | -48.6 | 179.1 | -172.8 | -100.4 | 0 | 0 | 0 | 112.7 | V6 R38 F39 A183 D184 Y185 | V6-Y187 HydrophobicContact CG2-CD1 4.44Å; V6-Y187 HydrophobicContact CG2-CE1 4.36Å; R38-Y187 HydrophobicContact CB-CD2 3.74Å; R38-Y187 HydrophobicContact CB-CE2 3.92Å; R38-Y187 HydrophobicContact CB-CG 4.49Å; R38-Y187 WeakPolarHBondContact O-CE2 3.44Å; R38-Y187 PolarHBondContact O-OH 3.17Å; F39-Y187 HydrophobicContact CB-CE1 4.41Å; F39-Y187 AromaticContact CD2-CE1 3.61Å; F39-Y187 HydrophobicContact CD2-CE1 3.61Å; F39-Y187 AromaticContact CD2-CZ 4Å; F39-Y187 HydrophobicContact CE2-CE1 4.36Å; F39-Y187 HydrophobicContact CG-CE1 4.41Å; A183-Y187 VanDerWaalsContact O-CB 3.31Å; A183-Y187 WeakPolarHBondContact O-CB 3.3Å; A183-Y187 PolarHBondContact O-N 3.17Å; D184-Y187 PolarHBondContact O-N 3.02Å; Y185-Y187 VanDerWaalsContact C-N 3.26Å; Y185-Y187 PolarHBondContact O-N 3.47Å |
| 188 | F | 80.9 | Confident | 80.2 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -94.5 | -30.9 | -172.3 | -69.9 | -71.7 | 0 | 0 | 0 | 114.5 | G2 V6 F39 K173 P174 D184 | G2-F188 VanDerWaalsContact O-CZ 3.29Å; G2-F188 WeakPolarHBondContact O-CZ 3.2Å; V6-F188 HydrophobicContact CG2-CE2 3.74Å; V6-F188 HydrophobicContact CG2-CZ 3.61Å; F39-F188 HydrophobicContact CD2-CD1 4.34Å; F39-F188 AromaticContact CD2-CE1 3.91Å; F39-F188 HydrophobicContact CD2-CE1 3.91Å; F39-F188 AromaticContact CE2-CE1 3.81Å; F39-F188 HydrophobicContact CE2-CE1 3.81Å; F39-F188 HydrophobicContact CG-CD1 4.44Å; F39-F188 HydrophobicContact CG-CE1 4.44Å; F39-F188 HydrophobicContact CZ-CE1 4.29Å; K173-F188 HydrophobicContact CD-CB 4.4Å; K173-F188 VanDerWaalsContact CE-O 3.3Å; K173-F188 WeakPolarHBondContact CE-O 3.39Å; K173-F188 HydrophobicContact CG-CD1 4.45Å; K173-F188 PolarHBondContact NZ-O 3.1Å; P174-F188 HydrophobicContact CG-CD2 3.64Å; P174-F188 HydrophobicContact CG-CE2 3.92Å; P174-F188 HydrophobicContact CG-CG 4.11Å; D184-F188 WeakPolarHBondContact O-CD2 3.33Å; D184-F188 PolarHBondContact O-N 3.46Å |
| 189 | F | 83.7 | Confident | 80.6 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 4% | 0.044 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -37.4 | -165.8 | -63.3 | -80.2 | 0 | 0 | 0 | 114 | D150 K173 P174 L177 Y185 T191 I199 | D150-F189 VanDerWaalsContact OD1-CD1 3.22Å; D150-F189 WeakPolarHBondContact OD1-CD1 3.29Å; K173-F189 HydrophobicContact CB-CE1 4.28Å; K173-F189 HydrophobicContact CB-CZ 3.78Å; K173-F189 HydrophobicContact CD-CD1 3.98Å; K173-F189 HydrophobicContact CD-CE1 3.41Å; K173-F189 VanDerWaalsContact CD-CE1 3.41Å; K173-F189 HydrophobicContact CD-CE2 4.42Å; K173-F189 HydrophobicContact CD-CZ 3.67Å; K173-F189 HydrophobicContact CG-CE1 4.49Å; K173-F189 HydrophobicContact CG-CZ 4.34Å; P174-F189 HydrophobicContact CG-CE2 4.19Å; L177-F189 HydrophobicContact CD1-CD2 3.99Å; L177-F189 HydrophobicContact CD1-CE2 3.98Å; L177-F189 HydrophobicContact CD2-CD2 4.43Å; L177-F189 HydrophobicContact CD2-CE2 4.08Å; L177-F189 HydrophobicContact CG-CE2 4.43Å; Y185-F189 HydrophobicContact CD2-CB 3.92Å; Y185-F189 HydrophobicContact CE2-CB 3.97Å; Y185-F189 WeakPolarHBondContact O-CA 3.04Å; Y185-F189 WeakPolarHBondContact O-CB 3.32Å; Y185-F189 PolarHBondContact O-N 2.7Å; F189-T191 PolarHBondContact O-N 2.97Å; F189-I199 HydrophobicContact CB-CD1 4.5Å; F189-I199 HydrophobicContact CB-CG1 4.5Å; F189-I199 HydrophobicContact CD1-CD1 3.36Å; F189-I199 HydrophobicContact CD1-CG1 4.18Å; F189-I199 HydrophobicContact CE1-CD1 3.62Å; F189-I199 HydrophobicContact CG-CD1 3.92Å; F189-I199 HydrophobicContact CG-CG1 4.25Å; F189-I199 HydrophobicContact CZ-CD1 4.37Å |
| 190 | D | 78.9 | Confident | 81.2 | Confident | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | trans | -81.1 | 54.1 | 176.3 | -169 | 17.3 | 0 | 0 | 0 | 112.9 | Y185 R195 | Y185-D190 HydrophobicContact CD1-CB 4.31Å; Y185-D190 HydrophobicContact CE1-CB 3.82Å; Y185-D190 PolarHBondContact O-N 3.17Å; D190-R195 PolarHBondContact OD1-N 2.86Å | ||
| 191 | T | 64.6 | Low | 81.7 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | trans | -79.4 | -23 | -175.7 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | T37 K152 F189 | T37-T191 HydrophobicContact CG2-CG2 3.8Å; K152-T191 PolarHBondContact NZ-OG1 2.79Å; K152-T191 VanDerWaalsContact NZ-OG1 3.12Å; F189-T191 PolarHBondContact O-N 2.97Å | ||
| 192 | S | 63.5 | Low | 82.1 | Confident | 43 Ų | 43 | 42.8 Ų | 42.8 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -89.2 | -4.6 | -177.5 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | E154 R194 | E154-S192 PolarHBondContact OE1-OG 2.84Å; S192-R194 PolarHBondContact O-N 2.84Å |
| 193 | R | 67.1 | Low | 82.5 | Confident | 227 Ų | 227 | 39.7 Ų | 39.7 | 86% | 0.857 | 18% | 0.184 | S | C | * | . | S | Bend | trans | 56.8 | 12.4 | -173.9 | -54.6 | -177.7 | -178.9 | -172.9 | -0 | 114.2 | R195 | R193-R195 PolarHBondContact O-N 2.84Š|
| 194 | R | 74.1 | Confident | 82.9 | Confident | 61 Ų | 61 | 37.5 Ų | 37.5 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -78.1 | -10 | 177.6 | -66.1 | 178.6 | 64.9 | -144.3 | -3.1 | 112 | Y113 E154 S192 T196 E254 | Y113-R194 VanDerWaalsContact CD2-NH1 3.33Å; Y113-R194 VanDerWaalsContact CE2-NH1 3.31Å; Y113-R194 VanDerWaalsContact CE2-NH2 3.27Å; Y113-R194 PolarHBondContact OH-NE 2.97Å; E154-R194 IonicContact OE1-NH1 2.8Å; E154-R194 PolarHBondContact OE1-NH1 3.15Å; S192-R194 PolarHBondContact O-N 2.84Å; R194-T196 HydrophobicContact CB-CG2 3.98Å; R194-T196 PolarHBondContact O-N 3.45Å; R194-T196 VanDerWaalsContact O-N 3.17Å; R194-E254 IonicContact CZ-OE1 2.89Å; R194-E254 IonicContact NH1-OE1 3.03Å; R194-E254 PolarHBondContact NH1-OE1 3.32Å; R194-E254 IonicContact NH2-OE1 3.91Å; R194-E254 PolarHBondContact NH2-OE1 3.39Å |
| 195 | R | 77.8 | Confident | 83.1 | Confident | 171 Ų | 171 | 39.4 Ų | 39.4 | 65% | 0.645 | 18% | 0.178 | S | C | * | . | trans | 59.7 | 17.5 | -176 | -55.7 | -179.8 | 178.1 | -175.4 | -0.9 | 113.7 | D190 R193 E264 | D190-R195 PolarHBondContact OD1-N 2.86Å; R193-R195 PolarHBondContact O-N 2.84Å; R195-E264 WeakPolarHBondContact O-CA 3.48Å | ||
| 196 | T | 88.2 | Confident | 82.8 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -85 | 136.7 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | Y185 R194 Y198 A261 F263 | Y185-T196 VanDerWaalsContact OH-C 3.32Å; Y185-T196 PolarHBondContact OH-O 3.22Å; R194-T196 HydrophobicContact CB-CG2 3.98Å; R194-T196 PolarHBondContact O-N 3.45Å; R194-T196 VanDerWaalsContact O-N 3.17Å; T196-Y198 WeakPolarHBondContact OG1-CE2 3.49Å; T196-A261 HydrophobicContact CG2-CB 3.34Å; T196-F263 WeakPolarHBondContact CA-O 3.34Å |
| 197 | C | 90.4 | Very high | 81.9 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -119.5 | 115.6 | -176.4 | -167.6 | 0 | 0 | 0 | 0 | 111.5 | Y185 F263 L268 | Y185-C197 HydrophobicContact CE2-CB 4.18Å; Y185-C197 WeakPolarHBondContact CE2-SG 3.32Å; Y185-C197 WeakPolarHBondContact OH-CA 3.18Å; Y185-C197 WeakPolarHBondContact OH-CB 3.38Å; C197-F263 PolarHBondContact N-O 2.97Å; C197-L268 HydrophobicContact CB-CD2 4.41Å; C197-L268 WeakPolarHBondContact SG-CD2 3.44Å | ||
| 198 | Y | 92.4 | Very high | 80.5 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | trans | -105.2 | 1.8 | 176.3 | -53.8 | -102.1 | 0 | 0 | 0 | 111.7 | I151 K152 T196 S247 C250 A251 E254 | I151-Y198 WeakPolarHBondContact O-CB 3.46Å; K152-Y198 HydrophobicContact CB-CD1 4.36Å; K152-Y198 HydrophobicContact CB-CD2 3.8Å; K152-Y198 HydrophobicContact CB-CE1 4.49Å; K152-Y198 HydrophobicContact CB-CE2 3.95Å; K152-Y198 HydrophobicContact CB-CG 4.05Å; T196-Y198 WeakPolarHBondContact OG1-CE2 3.49Å; Y198-S247 WeakPolarHBondContact O-CA 3.33Å; Y198-S247 VanDerWaalsContact O-CB 3.23Å; Y198-S247 WeakPolarHBondContact O-CB 3.34Å; Y198-S247 PolarHBondContact O-OG 2.7Å; Y198-C250 HydrophobicContact CD1-CB 3.66Å; Y198-C250 HydrophobicContact CE1-CB 4.44Å; Y198-C250 HydrophobicContact CG-CB 4.38Å; Y198-A251 HydrophobicContact CD1-CB 4.33Å; Y198-A251 HydrophobicContact CE1-CB 4.42Å; Y198-E254 WeakPolarHBondContact CE1-OE2 3.42Å; Y198-E254 VanDerWaalsContact OH-CD 3.27Å; Y198-E254 PolarHBondContact OH-OE1 3.25Å; Y198-E254 PolarHBondContact OH-OE2 3.21Å | ||
| 199 | I | 92.4 | Very high | 78.8 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | trans | -76 | 135.3 | -171.1 | -56 | -59.3 | 0 | 0 | 0 | 110 | L177 Y185 F189 R203 F204 F246 L268 | L177-I199 HydrophobicContact CD1-CG2 4.34Å; Y185-I199 HydrophobicContact CE2-CG1 4.27Å; F189-I199 HydrophobicContact CB-CD1 4.5Å; F189-I199 HydrophobicContact CB-CG1 4.5Å; F189-I199 HydrophobicContact CD1-CD1 3.36Å; F189-I199 HydrophobicContact CD1-CG1 4.18Å; F189-I199 HydrophobicContact CE1-CD1 3.62Å; F189-I199 HydrophobicContact CG-CD1 3.92Å; F189-I199 HydrophobicContact CG-CG1 4.25Å; F189-I199 HydrophobicContact CZ-CD1 4.37Å; I199-R203 HydrophobicContact CG2-CB 3.82Å; I199-R203 HydrophobicContact CG2-CG 4.31Å; I199-F204 HydrophobicContact CB-CE2 4.06Å; I199-F204 HydrophobicContact CB-CZ 4.36Å; I199-F204 HydrophobicContact CG2-CE2 3.83Å; I199-F204 HydrophobicContact CG2-CZ 4.26Å; I199-F246 WeakPolarHBondContact O-CE1 3.35Å; I199-L268 WeakPolarHBondContact O-CD2 2.99Å | ||
| 200 | A | 93.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -62 | 139.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E202 R203 M243 F246 | A200-E202 WeakPolarHBondContact CB-OE2 2.87Å; A200-E202 PolarHBondContact O-N 2.91Å; A200-R203 HydrophobicContact CB-CG 4.33Å; A200-R203 WeakPolarHBondContact O-CB 3.33Å; A200-R203 PolarHBondContact O-N 3.08Å; A200-M243 HydrophobicContact CB-CB 4.03Å; A200-M243 HydrophobicContact CB-CG 4.26Å; A200-F246 VanDerWaalsContact CA-CD1 3.45Å; A200-F246 HydrophobicContact CB-CB 3.94Å; A200-F246 HydrophobicContact CB-CD1 4Å; A200-F246 HydrophobicContact CB-CG 4.05Å | ||
| 201 | P | 91.6 | Very high | 74.8 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -56.5 | -36 | -175.6 | -25.8 | 33 | 0 | 0 | 0 | 113.9 | R203 F204 F246 L268 R272 | P201-R203 PolarHBondContact O-N 3.47Å; P201-F204 PolarHBondContact O-N 3.16Å; P201-F246 HydrophobicContact CG-CE1 4.5Å; P201-F246 HydrophobicContact CG-CE2 3.87Å; P201-F246 HydrophobicContact CG-CZ 3.87Å; P201-L268 HydrophobicContact CG-CD1 4.11Å; P201-R272 HydrophobicContact CB-CB 4.22Å; P201-R272 HydrophobicContact CB-CG 4.08Å |
| 202 | E | 90.7 | Very high | 73.8 | Confident | 41 Ų | 41 | 73 Ų | 73 | 19% | 0.192 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -68.6 | -11.7 | 179.5 | 67.9 | -89 | -157.5 | 0 | 0 | 114 | A200 F204 M243 R306 | A200-E202 WeakPolarHBondContact CB-OE2 2.87Å; A200-E202 PolarHBondContact O-N 2.91Å; E202-F204 VanDerWaalsContact C-N 3.3Å; E202-M243 HydrophobicContact CG-CE 4.13Å; E202-M243 HydrophobicContact CG-CG 4.32Å; E202-M243 WeakPolarHBondContact OE1-CG 3.14Å; E202-R306 IonicContact OE1-CZ 2.64Å; E202-R306 IonicContact OE1-NH1 2.92Å; E202-R306 PolarHBondContact OE1-NH1 3.49Å; E202-R306 IonicContact OE1-NH2 3.13Å; E202-R306 IonicContact OE2-CZ 3Å; E202-R306 IonicContact OE2-NH1 3.69Å; E202-R306 PolarHBondContact OE2-NH1 3.22Å; E202-R306 IonicContact OE2-NH2 2.85Å; E202-R306 PolarHBondContact OE2-NH2 3.15Å |
| 203 | R | 89.9 | Confident | 72.6 | Confident | 3 Ų | 3 | 78.6 Ų | 78.6 | 1% | 0.011 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -78 | -15.8 | 174.1 | -66.1 | -179.1 | 60.1 | -173.9 | 1.4 | 112.5 | G149 P174 T175 Y176 L177 I199 A200 P201 M243 | G149-R203 PolarHBondContact O-NH1 3.46Å; P174-R203 PolarHBondContact O-NH2 2.9Å; T175-R203 PolarHBondContact O-NE 3.09Å; T175-R203 PolarHBondContact O-NH2 3.1Å; Y176-R203 CarbonylContact C-O 3.58Å; Y176-R203 VanDerWaalsContact CA-O 3.23Å; Y176-R203 WeakPolarHBondContact CA-O 3.45Å; L177-R203 PolarHBondContact N-O 3.45Å; I199-R203 HydrophobicContact CG2-CB 3.82Å; I199-R203 HydrophobicContact CG2-CG 4.31Å; A200-R203 HydrophobicContact CB-CG 4.33Å; A200-R203 WeakPolarHBondContact O-CB 3.33Å; A200-R203 PolarHBondContact O-N 3.08Å; P201-R203 PolarHBondContact O-N 3.47Å; R203-M243 HydrophobicContact CG-CE 4.09Å; R203-M243 HydrophobicContact CG-CG 4.16Å; R203-M243 HydrophobicContact CG-SD 3.68Å |
| 204 | F | 89.1 | Confident | 71.4 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 2% | 0.022 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.8 | 174.3 | -66.4 | -87 | 0 | 0 | 0 | 110.1 | L177 Y185 I199 P201 E202 L265 L268 L269 R272 | L177-F204 HydrophobicContact CB-CD1 3.99Å; L177-F204 HydrophobicContact CB-CE1 4.07Å; L177-F204 HydrophobicContact CD1-CE1 3.98Å; L177-F204 HydrophobicContact CD1-CZ 4.09Å; L177-F204 CarbonylContact O-C 3.51Å; L177-F204 VanDerWaalsContact O-CA 3.31Å; L177-F204 WeakPolarHBondContact O-CA 3.45Å; Y185-F204 HydrophobicContact CD2-CZ 4.35Å; I199-F204 HydrophobicContact CB-CE2 4.06Å; I199-F204 HydrophobicContact CB-CZ 4.36Å; I199-F204 HydrophobicContact CG2-CE2 3.83Å; I199-F204 HydrophobicContact CG2-CZ 4.26Å; P201-F204 PolarHBondContact O-N 3.16Å; E202-F204 VanDerWaalsContact C-N 3.3Å; F204-L265 HydrophobicContact CE1-CD1 3.74Å; F204-L265 HydrophobicContact CZ-CD1 3.61Å; F204-L268 HydrophobicContact CD2-CD2 4.26Å; F204-L268 HydrophobicContact CE2-CD2 3.53Å; F204-L268 HydrophobicContact CZ-CD2 4.27Å; F204-L269 HydrophobicContact CD1-CD2 4.36Å; F204-L269 HydrophobicContact CG-CD2 4.25Å; F204-R272 PolarHBondContact O-NH1 3.3Å; F204-R272 PolarHBondContact O-NH2 3.15Å |
| 205 | V | 85.6 | Confident | 69.4 | Low | 68 Ų | 68 | 71.3 Ų | 71.3 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.3 | -177.6 | -172.8 | 0 | 0 | 0 | 0 | 109 | Y176 L177 E179 | Y176-V205 HydrophobicContact CD1-CG2 3.83Å; Y176-V205 HydrophobicContact CG-CG2 4.16Å; L177-V205 PolarHBondContact O-N 2.79Å; E179-V205 PolarHBondContact N-O 3.18Å |
| 206 | K | 78.6 | Confident | 67.3 | Low | 151 Ų | 151 | 71.7 Ų | 71.7 | 66% | 0.657 | 43% | 0.43 | S | S | * | . | trans | -70 | 130.8 | 174.3 | -69 | -173.4 | 177.7 | -175.1 | 0 | 109.5 | E179 L208 | E179-K206 WeakPolarHBondContact OE2-CG 3.45Å; K206-L208 PolarHBondContact O-N 3.21Å | ||
| 207 | T | 66.4 | Low | 64.6 | Low | 66 Ų | 66 | 74.3 Ų | 74.3 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | trans | -76.4 | 113 | 172.4 | -25.7 | 0 | 0 | 0 | 0 | 106.3 | D180 A209 | D180-T207 WeakPolarHBondContact OD2-CB 3.47Å; D180-T207 PolarHBondContact OD2-N 3.24Å; D180-T207 PolarHBondContact OD2-OG1 3.5Å; T207-A209 VanDerWaalsContact C-N 3.29Å; T207-A209 PolarHBondContact O-N 3.4Å | ||
| 208 | L | 51.7 | Low | 61.7 | Low | 163 Ų | 163 | 82.2 Ų | 82.2 | 85% | 0.853 | 50% | 0.503 | S | S | * | . | trans | -66.2 | 95.8 | 171.3 | -73.3 | 165.9 | 0 | 0 | 0 | 107.5 | K206 | K206-L208 PolarHBondContact O-N 3.21Š| ||
| 209 | A | 45.1 | Very low | 59.2 | Low | 82 Ų | 82 | 90.1 Ų | 90.1 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | trans | -66.7 | 131.1 | 160 | 0 | 0 | 0 | 0 | 0 | 107.1 | T207 D211 | T207-A209 VanDerWaalsContact C-N 3.29Å; T207-A209 PolarHBondContact O-N 3.4Å; A209-D211 PolarHBondContact O-N 3.28Å | ||
| 210 | S | 40.9 | Very low | 56.2 | Low | 105 Ų | 105 | 94 Ų | 94 | 73% | 0.734 | 57% | 0.57 | S | S | * | * | trans | -49.7 | 107.4 | 172.8 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | D212 | S210-D212 PolarHBondContact O-N 2.86Å; S210-D212 VanDerWaalsContact O-N 3.17Å | ||
| 211 | D | 37.3 | Very low | 53.5 | Low | 172 Ų | 172 | 100.6 Ų | 100.6 | 92% | 0.92 | 61% | 0.61 | S | S | * | * | trans | -74.4 | 88.7 | 149.9 | -78.9 | -24.2 | 0 | 0 | 0 | 106.4 | A209 | A209-D211 PolarHBondContact O-N 3.28Š| ||
| 212 | D | 43 | Very low | 50.7 | Low | 139 Ų | 139 | 106.6 Ų | 106.6 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | trans | -93.9 | 100.5 | 173.2 | -150.9 | 38 | 0 | 0 | 0 | 108.3 | S210 G214 | S210-D212 PolarHBondContact O-N 2.86Å; S210-D212 VanDerWaalsContact O-N 3.17Å; D212-G214 PolarHBondContact O-N 3.46Å | ||
| 213 | D | 40 | Very low | 47.9 | Very low | 161 Ų | 161 | 111.9 Ų | 111.9 | 86% | 0.861 | 67% | 0.665 | S | S | * | * | trans | -79.4 | 103.9 | 157.5 | -173.5 | 36.9 | 0 | 0 | 0 | 107.9 | ||||
| 214 | G | 41.3 | Very low | 45.4 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 39.7 | 104.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | D212 | D212-G214 PolarHBondContact O-N 3.46Š|
| 215 | G | 32.2 | Very low | 43 | Very low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | trans | 169.6 | 84.3 | 153 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 216 | N | 33.2 | Very low | 40.7 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 96% | 0.957 | 73% | 0.734 | S | S | * | * | trans | 44.5 | 116.8 | 146 | -105.3 | 7.6 | 0 | 0 | 0 | 120.2 | ||||
| 217 | G | 32.2 | Very low | 38.9 | Very low | 71 Ų | 71 | 121.7 Ų | 121.7 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | 131.5 | 107.2 | 135.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 218 | N | 30 | Very low | 37.8 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | 73.1 | 117.7 | 153.2 | -72.9 | -1.9 | 0 | 0 | 0 | 120.5 | S220 | N218-S220 PolarHBondContact O-N 3.49Š| ||
| 219 | M | 38.5 | Very low | 37.2 | Very low | 175 Ų | 175 | 126.6 Ų | 126.6 | 86% | 0.862 | 74% | 0.738 | S | S | * | * | trans | -58.7 | 120.1 | 172 | -156.2 | 52.5 | 44.4 | 0 | 0 | 112.3 | ||||
| 220 | S | 29.5 | Very low | 36.6 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | trans | -141.7 | 129.5 | 148.1 | 78.6 | 0 | 0 | 0 | 0 | 108.2 | N218 I222 | N218-S220 PolarHBondContact O-N 3.49Å; S220-I222 PolarHBondContact O-N 3.31Å; S220-I222 VanDerWaalsContact O-N 3.08Å | ||
| 221 | V | 37.7 | Very low | 36.2 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | trans | -69.3 | 101 | 177.3 | 177 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 222 | I | 31.3 | Very low | 35.8 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 66% | 0.656 | 73% | 0.732 | S | S | * | * | trans | -85.7 | 118.2 | -179.4 | -65.1 | 172.5 | 0 | 0 | 0 | 109.1 | S220 | S220-I222 PolarHBondContact O-N 3.31Å; S220-I222 VanDerWaalsContact O-N 3.08Å | ||
| 223 | H | 32.1 | Very low | 35.3 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 70% | 0.704 | 74% | 0.74 | S | S | * | * | trans | -53.8 | 140.5 | 170.5 | -103 | -90.7 | 0 | 0 | 0 | 112.2 | D225 | H223-D225 PolarHBondContact O-N 2.98Š| ||
| 224 | T | 38.1 | Very low | 35 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -55.7 | -4.2 | -179.7 | -29.2 | 0 | 0 | 0 | 0 | 115.4 | S226 | T224-S226 VanDerWaalsContact C-N 3.3Å; T224-S226 PolarHBondContact O-N 3.33Å |
| 225 | D | 38.7 | Very low | 34.7 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -75.5 | -11 | -178.6 | -88.5 | -22.5 | 0 | 0 | 0 | 114.7 | H223 | H223-D225 PolarHBondContact O-N 2.98Š|
| 226 | S | 37.3 | Very low | 35.3 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 52% | 0.517 | 74% | 0.735 | S | S | . | * | G | 310 helix | trans | -92.8 | -16.7 | -171.5 | -45.2 | 0 | 0 | 0 | 0 | 114.6 | T224 I228 | T224-S226 VanDerWaalsContact C-N 3.3Å; T224-S226 PolarHBondContact O-N 3.33Å; S226-I228 VanDerWaalsContact C-N 3.34Å; S226-I228 PolarHBondContact O-N 3.38Å |
| 227 | I | 41 | Very low | 36.5 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 61% | 0.605 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -79.1 | -14.7 | -168.2 | -63.3 | 171.8 | 0 | 0 | 0 | 112.8 | ||
| 228 | I | 43.3 | Very low | 38.5 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 54% | 0.538 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -89.2 | -3.1 | -174.9 | -55.3 | 176.6 | 0 | 0 | 0 | 113.1 | S226 L230 | S226-I228 VanDerWaalsContact C-N 3.34Å; S226-I228 PolarHBondContact O-N 3.38Å; I228-L230 PolarHBondContact O-N 3.02Å |
| 229 | R | 37.9 | Very low | 41.1 | Very low | 226 Ų | 226 | 117.2 Ų | 117.2 | 85% | 0.853 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -87.2 | 3.7 | -174.8 | -72.6 | -164.9 | -179.4 | -158.5 | 2 | 116.4 | ||
| 230 | L | 34.3 | Very low | 43.6 | Very low | 165 Ų | 165 | 113 Ų | 113 | 86% | 0.864 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -126 | 27.3 | -174.3 | -88 | 143.3 | 0 | 0 | 0 | 115.4 | I228 | I228-L230 PolarHBondContact O-N 3.02Š|
| 231 | A | 30.7 | Very low | 46.7 | Very low | 82 Ų | 82 | 111.7 Ų | 111.7 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -76.6 | 134.4 | 160 | 0 | 0 | 0 | 0 | 0 | 109.4 | S233 | A231-S233 PolarHBondContact O-N 3.01Š|
| 232 | P | 30.3 | Very low | 49.4 | Very low | 102 Ų | 102 | 106.1 Ų | 106.1 | 66% | 0.662 | 60% | 0.6 | S | S | * | * | trans | -63.1 | 121 | -170.4 | 24.9 | -32.4 | 0 | 0 | 0 | 111 | Y234 | P232-Y234 WeakPolarHBondContact O-CD2 3.35Å; P232-Y234 PolarHBondContact O-N 3.48Å | ||
| 233 | S | 30.9 | Very low | 52.4 | Low | 130 Ų | 130 | 100.2 Ų | 100.2 | 91% | 0.909 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 28.8 | 37.4 | 150.9 | -51.5 | 0 | 0 | 0 | 0 | 120.1 | A231 | A231-S233 PolarHBondContact O-N 3.01Š|
| 234 | Y | 35.3 | Very low | 55.5 | Low | 203 Ų | 203 | 93 Ų | 93 | 80% | 0.796 | 54% | 0.536 | S | S | * | . | trans | -104.5 | 120.3 | 160.5 | -75.6 | -81.3 | 0 | 0 | 0 | 108.1 | P232 G236 | P232-Y234 WeakPolarHBondContact O-CD2 3.35Å; P232-Y234 PolarHBondContact O-N 3.48Å; Y234-G236 PolarHBondContact O-N 3.32Å; Y234-G236 VanDerWaalsContact O-N 3.16Å | ||
| 235 | A | 33.9 | Very low | 58.3 | Low | 103 Ų | 103 | 87.5 Ų | 87.5 | 85% | 0.851 | 50% | 0.502 | S | S | * | . | trans | -56.6 | 115.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 236 | G | 44.7 | Very low | 61.1 | Low | 51 Ų | 51 | 81.7 Ų | 81.7 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 87.2 | 143 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | Y234 T238 | Y234-G236 PolarHBondContact O-N 3.32Å; Y234-G236 VanDerWaalsContact O-N 3.16Å; G236-T238 PolarHBondContact O-N 2.91Å |
| 237 | N | 58 | Low | 63.9 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 39% | 0.385 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -66.4 | 43.3 | 168 | -92.5 | -34.1 | 0 | 0 | 0 | 112.6 | M1 T175 | M1-N237 HydrophobicContact CE-CB 4.39Å; M1-N237 WeakPolarHBondContact CE-O 3.44Å; M1-N237 HydrophobicContact CG-CB 4.35Å; T175-N237 PolarHBondContact OG1-O 2.65Å |
| 238 | T | 74.8 | Confident | 66.6 | Low | 81 Ų | 81 | 72.6 Ų | 72.6 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -100.6 | 134.2 | -166.1 | -47.9 | 0 | 0 | 0 | 0 | 110.5 | G236 | G236-T238 PolarHBondContact O-N 2.91Š|
| 239 | L | 85.5 | Confident | 69.2 | Low | 28 Ų | 28 | 67.6 Ų | 67.6 | 15% | 0.147 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 140.1 | 171.7 | -76.5 | 163 | 0 | 0 | 0 | 110 | C147 T175 M243 | C147-L239 HydrophobicContact CB-CB 3.63Å; C147-L239 HydrophobicContact CB-CD1 4.37Å; C147-L239 PolarHBondContact SG-O 2.97Å; C147-L239 VanDerWaalsContact SG-O 3.42Å; T175-L239 HydrophobicContact CG2-CD2 3.92Å; T175-L239 HydrophobicContact CG2-CG 4.14Å; L239-M243 HydrophobicContact CD2-SD 3.92Å |
| 240 | L | 91.3 | Very high | 71.9 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 144.1 | 176.1 | -63.2 | 176.1 | 0 | 0 | 0 | 110.5 | A242 M243 | L240-A242 PolarHBondContact O-N 3.21Å; L240-A242 VanDerWaalsContact O-N 3.17Å; L240-M243 HydrophobicContact CB-CE 4.27Å; L240-M243 HydrophobicContact CB-CG 4.25Å; L240-M243 HydrophobicContact CB-SD 4.34Å; L240-M243 HydrophobicContact CD1-CE 4.23Å; L240-M243 HydrophobicContact CG-CE 4.22Å; L240-M243 VanDerWaalsContact O-CB 3.31Å; L240-M243 WeakPolarHBondContact O-CB 3.46Å; L240-M243 PolarHBondContact O-N 2.79Å |
| 241 | P | 93.5 | Very high | 74.9 | Confident | 58 Ų | 58 | 49 Ų | 49 | 38% | 0.377 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -52.9 | -37.7 | 176.4 | -30.7 | 37.4 | 0 | 0 | 0 | 113.8 | M243 D244 I245 | P241-M243 PolarHBondContact O-N 3.2Å; P241-M243 VanDerWaalsContact O-N 3.16Å; P241-D244 WeakPolarHBondContact O-CB 3.4Å; P241-D244 PolarHBondContact O-N 2.85Å; P241-I245 WeakPolarHBondContact O-CG1 3.46Å; P241-I245 PolarHBondContact O-N 3.43Å |
| 242 | A | 94.8 | Very high | 78 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -25.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L240 F246 R306 | L240-A242 PolarHBondContact O-N 3.21Å; L240-A242 VanDerWaalsContact O-N 3.17Å; A242-F246 PolarHBondContact O-N 3.23Å; A242-R306 WeakPolarHBondContact O-CD 3.25Å; A242-R306 PolarHBondContact O-NH1 2.96Å |
| 243 | M | 94.6 | Very high | 81.1 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.6 | -41.4 | 175 | -60.7 | 172.8 | 178.1 | 0 | 0 | 110.9 | Y176 A200 E202 R203 L239 L240 P241 F246 S247 | Y176-M243 HydrophobicContact CE1-CE 4.24Å; A200-M243 HydrophobicContact CB-CB 4.03Å; A200-M243 HydrophobicContact CB-CG 4.26Å; E202-M243 HydrophobicContact CG-CE 4.13Å; E202-M243 HydrophobicContact CG-CG 4.32Å; E202-M243 WeakPolarHBondContact OE1-CG 3.14Å; R203-M243 HydrophobicContact CG-CE 4.09Å; R203-M243 HydrophobicContact CG-CG 4.16Å; R203-M243 HydrophobicContact CG-SD 3.68Å; L239-M243 HydrophobicContact CD2-SD 3.92Å; L240-M243 HydrophobicContact CB-CE 4.27Å; L240-M243 HydrophobicContact CB-CG 4.25Å; L240-M243 HydrophobicContact CB-SD 4.34Å; L240-M243 HydrophobicContact CD1-CE 4.23Å; L240-M243 HydrophobicContact CG-CE 4.22Å; L240-M243 VanDerWaalsContact O-CB 3.31Å; L240-M243 WeakPolarHBondContact O-CB 3.46Å; L240-M243 PolarHBondContact O-N 2.79Å; P241-M243 PolarHBondContact O-N 3.2Å; P241-M243 VanDerWaalsContact O-N 3.16Å; M243-F246 PolarHBondContact O-N 3.05Å; M243-S247 PolarHBondContact O-N 3.23Å; M243-S247 PolarHBondContact O-OG 3.49Å |
| 244 | D | 96.4 | Very high | 84 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 175.3 | -76.7 | -18.1 | 0 | 0 | 0 | 111.4 | L138 H142 C147 H148 G149 I151 P241 F246 S247 A248 | L138-D244 HydrophobicContact CD2-CB 4.17Å; H142-D244 IonicContact CD2-OD2 3.74Å; H142-D244 IonicContact CE1-OD2 2.88Å; H142-D244 IonicContact NE2-OD2 3.99Å; H142-D244 PolarHBondContact NE2-OD2 3.21Å; C147-D244 VanDerWaalsContact CA-OD2 3.26Å; C147-D244 WeakPolarHBondContact CA-OD2 3.49Å; C147-D244 WeakPolarHBondContact CB-OD2 3.49Å; H148-D244 PolarHBondContact N-OD1 2.93Å; H148-D244 PolarHBondContact N-OD2 3.24Å; G149-D244 PolarHBondContact N-OD1 2.77Å; I151-D244 HydrophobicContact CD1-CB 3.68Å; P241-D244 WeakPolarHBondContact O-CB 3.4Å; P241-D244 PolarHBondContact O-N 2.85Å; D244-F246 VanDerWaalsContact C-N 3.31Å; D244-F246 PolarHBondContact O-N 2.81Å; D244-S247 PolarHBondContact O-N 2.92Å; D244-A248 WeakPolarHBondContact O-CB 3.5Å; D244-A248 PolarHBondContact O-N 2.94Å |
| 245 | I | 97.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.9 | -43.9 | 175.2 | -64.6 | -61.3 | 0 | 0 | 0 | 110.8 | L138 P241 A248 G249 M298 R306 A309 Y312 | L138-I245 HydrophobicContact CD1-CD1 4.23Å; P241-I245 WeakPolarHBondContact O-CG1 3.46Å; P241-I245 PolarHBondContact O-N 3.43Å; I245-A248 PolarHBondContact O-N 3.29Å; I245-G249 PolarHBondContact O-N 3.3Å; I245-M298 HydrophobicContact CG2-CB 4.1Å; I245-M298 HydrophobicContact CG2-CE 4.13Å; I245-M298 HydrophobicContact CG2-CG 4Å; I245-M298 WeakPolarHBondContact O-CE 3.46Å; I245-R306 HydrophobicContact CG2-CB 4.15Å; I245-A309 HydrophobicContact CD1-CB 4.03Å; I245-Y312 HydrophobicContact CG2-CE2 3.9Å |
| 246 | F | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -48.5 | 175.7 | -177.7 | -84.1 | 0 | 0 | 0 | 112 | I199 A200 P201 A242 M243 D244 A248 G249 C250 F263 L268 Y271 M298 I299 | I199-F246 WeakPolarHBondContact O-CE1 3.35Å; A200-F246 VanDerWaalsContact CA-CD1 3.45Å; A200-F246 HydrophobicContact CB-CB 3.94Å; A200-F246 HydrophobicContact CB-CD1 4Å; A200-F246 HydrophobicContact CB-CG 4.05Å; P201-F246 HydrophobicContact CG-CE1 4.5Å; P201-F246 HydrophobicContact CG-CE2 3.87Å; P201-F246 HydrophobicContact CG-CZ 3.87Å; A242-F246 PolarHBondContact O-N 3.23Å; M243-F246 PolarHBondContact O-N 3.05Å; D244-F246 VanDerWaalsContact C-N 3.31Å; D244-F246 PolarHBondContact O-N 2.81Å; F246-A248 VanDerWaalsContact C-N 3.29Å; F246-A248 PolarHBondContact O-N 3.26Å; F246-G249 WeakPolarHBondContact O-CA 3.46Å; F246-G249 PolarHBondContact O-N 3.32Å; F246-C250 WeakPolarHBondContact CE1-SG 3.36Å; F246-C250 PolarHBondContact O-N 3.35Å; F246-F263 HydrophobicContact CE1-CE2 4.48Å; F246-F263 HydrophobicContact CZ-CD2 4.49Å; F246-F263 AromaticContact CZ-CE2 3.87Å; F246-F263 HydrophobicContact CZ-CE2 3.87Å; F246-F263 HydrophobicContact CZ-CZ 4.44Å; F246-L268 HydrophobicContact CE1-CD1 3.97Å; F246-L268 HydrophobicContact CZ-CD1 3.7Å; F246-Y271 HydrophobicContact CE2-CE1 4.32Å; F246-M298 WeakPolarHBondContact CA-O 3.34Å; F246-I299 HydrophobicContact CD2-CB 4.29Å; F246-I299 HydrophobicContact CE2-CB 4.09Å; F246-I299 VanDerWaalsContact CE2-O 3.28Å; F246-I299 WeakPolarHBondContact CE2-O 3.19Å |
| 247 | S | 96.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 179 | -62 | 0 | 0 | 0 | 0 | 112.5 | Y198 M243 D244 C250 A251 | Y198-S247 WeakPolarHBondContact O-CA 3.33Å; Y198-S247 VanDerWaalsContact O-CB 3.23Å; Y198-S247 WeakPolarHBondContact O-CB 3.34Å; Y198-S247 PolarHBondContact O-OG 2.7Å; M243-S247 PolarHBondContact O-N 3.23Å; M243-S247 PolarHBondContact O-OG 3.49Å; D244-S247 PolarHBondContact O-N 2.92Å; S247-C250 PolarHBondContact O-N 3Å; S247-A251 PolarHBondContact O-N 2.64Å; S247-A251 VanDerWaalsContact O-N 3.08Å |
| 248 | A | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | I134 L138 I151 D244 I245 F246 C250 A251 L252 M298 | I134-A248 HydrophobicContact CG2-CB 4.38Å; L138-A248 HydrophobicContact CD1-CB 3.53Å; I151-A248 HydrophobicContact CD1-CB 4.45Å; I151-A248 HydrophobicContact CG2-CB 4.28Å; D244-A248 WeakPolarHBondContact O-CB 3.5Å; D244-A248 PolarHBondContact O-N 2.94Å; I245-A248 PolarHBondContact O-N 3.29Å; F246-A248 VanDerWaalsContact C-N 3.29Å; F246-A248 PolarHBondContact O-N 3.26Å; A248-C250 VanDerWaalsContact C-N 3.32Å; A248-C250 PolarHBondContact O-N 3Å; A248-A251 PolarHBondContact O-N 2.95Å; A248-L252 WeakPolarHBondContact O-CB 3.31Å; A248-L252 VanDerWaalsContact O-CG 3.26Å; A248-L252 WeakPolarHBondContact O-CG 3.24Å; A248-L252 PolarHBondContact O-N 2.77Å; A248-M298 HydrophobicContact CB-CE 3.89Å |
| 249 | G | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | I245 F246 L252 L253 | I245-G249 PolarHBondContact O-N 3.3Å; F246-G249 WeakPolarHBondContact O-CA 3.46Å; F246-G249 PolarHBondContact O-N 3.32Å; G249-L252 PolarHBondContact O-N 3.24Å; G249-L253 WeakPolarHBondContact O-CB 3.46Å; G249-L253 PolarHBondContact O-N 2.85Å |
| 250 | C | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 174.5 | -68.1 | 0 | 0 | 0 | 0 | 112.8 | Y198 F246 S247 A248 L253 E254 P262 | Y198-C250 HydrophobicContact CD1-CB 3.66Å; Y198-C250 HydrophobicContact CE1-CB 4.44Å; Y198-C250 HydrophobicContact CG-CB 4.38Å; F246-C250 WeakPolarHBondContact CE1-SG 3.36Å; F246-C250 PolarHBondContact O-N 3.35Å; S247-C250 PolarHBondContact O-N 3Å; A248-C250 VanDerWaalsContact C-N 3.32Å; A248-C250 PolarHBondContact O-N 3Å; C250-L253 PolarHBondContact O-N 3.26Å; C250-E254 PolarHBondContact O-N 2.74Å; C250-E254 VanDerWaalsContact O-N 3.09Å; C250-P262 HydrophobicContact CB-CG 3.78Å |
| 251 | A | 95.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | L153 I156 Y198 S247 A248 E254 L255 | L153-A251 HydrophobicContact CD2-CB 4.03Å; L153-A251 WeakPolarHBondContact CD2-O 3.42Å; L153-A251 HydrophobicContact CG-CB 4.48Å; I156-A251 HydrophobicContact CD1-CB 4.09Å; Y198-A251 HydrophobicContact CD1-CB 4.33Å; Y198-A251 HydrophobicContact CE1-CB 4.42Å; S247-A251 PolarHBondContact O-N 2.64Å; S247-A251 VanDerWaalsContact O-N 3.08Å; A248-A251 PolarHBondContact O-N 2.95Å; A251-E254 PolarHBondContact O-N 2.89Å; A251-L255 PolarHBondContact O-N 3.47Å; A251-L255 VanDerWaalsContact O-N 3.07Å |
| 252 | L | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.8 | -40.7 | 175.9 | -69.4 | 172.3 | 0 | 0 | 0 | 111.5 | T131 I134 A248 G249 E254 L255 W256 L295 M298 | T131-L252 HydrophobicContact CG2-CD1 3.9Å; T131-L252 HydrophobicContact CG2-CD2 3.85Å; T131-L252 HydrophobicContact CG2-CG 4.47Å; I134-L252 HydrophobicContact CB-CD2 4.48Å; I134-L252 HydrophobicContact CD1-CD2 3.55Å; A248-L252 WeakPolarHBondContact O-CB 3.31Å; A248-L252 VanDerWaalsContact O-CG 3.26Å; A248-L252 WeakPolarHBondContact O-CG 3.24Å; A248-L252 PolarHBondContact O-N 2.77Å; G249-L252 PolarHBondContact O-N 3.24Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.36Å; L252-L255 HydrophobicContact CD2-CD2 4.38Å; L252-L255 WeakPolarHBondContact O-CB 3.44Å; L252-L255 PolarHBondContact O-N 3.4Å; L252-L255 VanDerWaalsContact O-N 3.12Å; L252-W256 PolarHBondContact O-N 3.05Å; L252-L295 HydrophobicContact CB-CD2 3.49Å; L252-L295 VanDerWaalsContact CB-CD2 3.49Å; L252-L295 HydrophobicContact CD1-CD2 4.03Å; L252-L295 HydrophobicContact CG-CD2 4.43Å; L252-M298 HydrophobicContact CD1-CE 4.01Å; L252-M298 HydrophobicContact CD1-SD 3.96Å |
| 253 | L | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58 | -45.1 | 175.8 | -174.7 | 52.4 | 0 | 0 | 0 | 110.5 | G249 C250 L255 W256 T257 P262 H282 L283 I286 L295 I299 | G249-L253 WeakPolarHBondContact O-CB 3.46Å; G249-L253 PolarHBondContact O-N 2.85Å; C250-L253 PolarHBondContact O-N 3.26Å; L253-L255 PolarHBondContact O-N 3Å; L253-W256 PolarHBondContact O-N 3.21Å; L253-W256 VanDerWaalsContact O-N 3.14Å; L253-T257 HydrophobicContact CD1-CG2 4Å; L253-T257 WeakPolarHBondContact O-CG2 3.48Å; L253-T257 PolarHBondContact O-N 3.35Å; L253-T257 PolarHBondContact O-OG1 3.44Å; L253-P262 HydrophobicContact CD2-CB 3.61Å; L253-P262 HydrophobicContact CD2-CG 4.26Å; L253-P262 HydrophobicContact CG-CB 4.2Å; L253-H282 HydrophobicContact CD1-CB 4.29Å; L253-H282 HydrophobicContact CD2-CB 4.18Å; L253-H282 HydrophobicContact CG-CB 4.42Å; L253-L283 HydrophobicContact CD1-CD2 4.14Å; L253-I286 HydrophobicContact CD1-CD1 3.72Å; L253-L295 HydrophobicContact CD1-CD1 4.37Å; L253-I299 HydrophobicContact CD2-CD1 3.88Å |
| 254 | E | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -37.4 | 174.3 | -174 | -179.5 | -177.9 | 0 | 0 | 113.7 | L153 R194 Y198 C250 A251 L252 W256 T257 G259 A261 | L153-E254 HydrophobicContact CD1-CB 4.08Å; L153-E254 HydrophobicContact CD1-CG 3.59Å; L153-E254 WeakPolarHBondContact CD1-OE2 3.47Å; L153-E254 HydrophobicContact CG-CG 4.48Å; L153-E254 WeakPolarHBondContact CG-OE2 3.44Å; R194-E254 IonicContact CZ-OE1 2.89Å; R194-E254 IonicContact NH1-OE1 3.03Å; R194-E254 PolarHBondContact NH1-OE1 3.32Å; R194-E254 IonicContact NH2-OE1 3.91Å; R194-E254 PolarHBondContact NH2-OE1 3.39Å; Y198-E254 WeakPolarHBondContact CE1-OE2 3.42Å; Y198-E254 VanDerWaalsContact OH-CD 3.27Å; Y198-E254 PolarHBondContact OH-OE1 3.25Å; Y198-E254 PolarHBondContact OH-OE2 3.21Å; C250-E254 PolarHBondContact O-N 2.74Å; C250-E254 VanDerWaalsContact O-N 3.09Å; A251-E254 PolarHBondContact O-N 2.89Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.36Å; E254-W256 VanDerWaalsContact C-N 3.3Å; E254-W256 PolarHBondContact O-N 2.8Å; E254-T257 WeakPolarHBondContact CA-OG1 3.45Å; E254-G259 WeakPolarHBondContact O-CA 3.25Å; E254-G259 PolarHBondContact O-N 2.99Å; E254-A261 HydrophobicContact CG-CB 4.39Å |
| 255 | L | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.7 | -39.3 | 173.6 | 172.8 | 66.4 | 0 | 0 | 0 | 111.8 | L112 V116 L122 K127 I130 A251 L252 L253 | L112-L255 HydrophobicContact CD1-CD1 4.15Å; L112-L255 HydrophobicContact CD2-CD2 4.43Å; L112-L255 HydrophobicContact CG-CD1 4.5Å; V116-L255 HydrophobicContact CG2-CD1 3.58Å; L122-L255 HydrophobicContact CD1-CD1 3.99Å; K127-L255 HydrophobicContact CG-CD1 4.35Å; K127-L255 HydrophobicContact CG-CG 4.41Å; I130-L255 HydrophobicContact CB-CD2 4.37Å; I130-L255 HydrophobicContact CG2-CD2 3.82Å; A251-L255 PolarHBondContact O-N 3.47Å; A251-L255 VanDerWaalsContact O-N 3.07Å; L252-L255 HydrophobicContact CD2-CD2 4.38Å; L252-L255 WeakPolarHBondContact O-CB 3.44Å; L252-L255 PolarHBondContact O-N 3.4Å; L252-L255 VanDerWaalsContact O-N 3.12Å; L253-L255 PolarHBondContact O-N 3Å |
| 256 | W | 93.4 | Very high | 91.7 | Very high | 33 Ų | 33 | 25 Ų | 25 | 13% | 0.125 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -85.4 | -17.2 | -176.7 | -73.3 | 105.5 | 0 | 0 | 0 | 113.6 | V124 K127 K128 T131 L252 L253 E254 I286 L291 | V124-W256 HydrophobicContact CG1-CH2 4.05Å; V124-W256 HydrophobicContact CG1-CZ3 4.13Å; V124-W256 WeakPolarHBondContact O-CH2 3.39Å; K127-W256 HydrophobicContact CB-CD2 4.29Å; K127-W256 HydrophobicContact CB-CE3 4.3Å; K127-W256 HydrophobicContact CB-CH2 3.43Å; K127-W256 VanDerWaalsContact CB-CH2 3.43Å; K127-W256 HydrophobicContact CB-CZ2 3.4Å; K127-W256 HydrophobicContact CB-CZ3 3.9Å; K127-W256 HydrophobicContact CD-CD2 4.15Å; K127-W256 HydrophobicContact CD-CE3 3.77Å; K127-W256 HydrophobicContact CD-CH2 4.29Å; K127-W256 HydrophobicContact CD-CZ3 3.85Å; K127-W256 HydrophobicContact CG-CH2 4.49Å; K128-W256 HydrophobicContact CG-CH2 3.95Å; K128-W256 HydrophobicContact CG-CZ2 4.06Å; T131-W256 PolarHBondContact OG1-NE1 3.01Å; T131-W256 VanDerWaalsContact OG1-NE1 3.1Å; L252-W256 PolarHBondContact O-N 3.05Å; L253-W256 PolarHBondContact O-N 3.21Å; L253-W256 VanDerWaalsContact O-N 3.14Å; E254-W256 VanDerWaalsContact C-N 3.3Å; E254-W256 PolarHBondContact O-N 2.8Å; W256-I286 HydrophobicContact CB-CD1 4.12Å; W256-I286 HydrophobicContact CB-CG1 4.43Å; W256-L291 HydrophobicContact CD2-CD2 3.37Å; W256-L291 HydrophobicContact CE3-CD2 3.65Å; W256-L291 HydrophobicContact CG-CD2 3.82Å; W256-L291 HydrophobicContact CH2-CD2 3.93Å; W256-L291 HydrophobicContact CZ2-CD1 4.47Å; W256-L291 HydrophobicContact CZ2-CD2 3.68Å; W256-L291 HydrophobicContact CZ3-CD2 3.92Å |
| 257 | T | 89.8 | Confident | 91.4 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 14% | 0.135 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 31.6 | 174.4 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | L253 E254 G259 T260 H282 | L253-T257 HydrophobicContact CD1-CG2 4Å; L253-T257 WeakPolarHBondContact O-CG2 3.48Å; L253-T257 PolarHBondContact O-N 3.35Å; L253-T257 PolarHBondContact O-OG1 3.44Å; E254-T257 WeakPolarHBondContact CA-OG1 3.45Å; T257-G259 VanDerWaalsContact C-N 3.3Å; T257-G259 PolarHBondContact O-N 3.11Å; T257-T260 WeakPolarHBondContact O-CB 3.48Å; T257-T260 PolarHBondContact O-N 3.44Å; T257-T260 VanDerWaalsContact O-N 3.11Å; T257-T260 PolarHBondContact O-OG1 3.08Å; T257-T260 PolarHBondContact OG1-O 3.16Å; T257-H282 HydrophobicContact CG2-CB 4.47Å |
| 258 | E | 82.4 | Confident | 91.2 | Very high | 159 Ų | 159 | 28.1 Ų | 28.1 | 74% | 0.743 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 34.4 | 173.6 | -55.1 | -172.2 | 162.8 | 0 | 0 | 115 | ||
| 259 | G | 83 | Confident | 90.8 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 6.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E254 T257 A261 | E254-G259 WeakPolarHBondContact O-CA 3.25Å; E254-G259 PolarHBondContact O-N 2.99Å; T257-G259 VanDerWaalsContact C-N 3.3Å; T257-G259 PolarHBondContact O-N 3.11Å; G259-A261 PolarHBondContact O-N 3.41Å |
| 260 | T | 87.3 | Confident | 90.4 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 48% | 0.479 | 17% | 0.166 | S | C | . | . | trans | -84.1 | 104.5 | 176.6 | -45.3 | 0 | 0 | 0 | 0 | 110.3 | T257 | T257-T260 WeakPolarHBondContact O-CB 3.48Å; T257-T260 PolarHBondContact O-N 3.44Å; T257-T260 VanDerWaalsContact O-N 3.11Å; T257-T260 PolarHBondContact O-OG1 3.08Å; T257-T260 PolarHBondContact OG1-O 3.16Å | ||
| 261 | A | 86.9 | Confident | 90.2 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 16% | 0.157 | 17% | 0.168 | C | C | . | . | trans | -64.8 | 142.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | T196 E254 G259 | T196-A261 HydrophobicContact CG2-CB 3.34Å; E254-A261 HydrophobicContact CG-CB 4.39Å; G259-A261 PolarHBondContact O-N 3.41Å | ||
| 262 | P | 86.2 | Confident | 89.8 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -75.5 | -28.2 | -172.2 | 27.9 | -34.8 | 0 | 0 | 0 | 114.4 | C250 L253 | C250-P262 HydrophobicContact CB-CG 3.78Å; L253-P262 HydrophobicContact CD2-CB 3.61Å; L253-P262 HydrophobicContact CD2-CG 4.26Å; L253-P262 HydrophobicContact CG-CB 4.2Å |
| 263 | F | 91.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | trans | -139 | 135.3 | -175.1 | -55.3 | -73.3 | 0 | 0 | 0 | 112.5 | T196 C197 F246 Q267 L268 Y271 V279 | T196-F263 WeakPolarHBondContact CA-O 3.34Å; C197-F263 PolarHBondContact N-O 2.97Å; F246-F263 HydrophobicContact CE1-CE2 4.48Å; F246-F263 HydrophobicContact CZ-CD2 4.49Å; F246-F263 AromaticContact CZ-CE2 3.87Å; F246-F263 HydrophobicContact CZ-CE2 3.87Å; F246-F263 HydrophobicContact CZ-CZ 4.44Å; F263-Q267 HydrophobicContact CD1-CB 4.41Å; F263-L268 HydrophobicContact CB-CB 4.11Å; F263-L268 HydrophobicContact CD1-CB 4.43Å; F263-L268 HydrophobicContact CD1-CD1 4.34Å; F263-L268 HydrophobicContact CD2-CD1 4.06Å; F263-L268 HydrophobicContact CE2-CD1 4.28Å; F263-L268 HydrophobicContact CG-CB 4.31Å; F263-L268 HydrophobicContact CG-CD1 4.09Å; F263-L268 HydrophobicContact CZ-CD1 4.5Å; F263-Y271 AromaticContact CE1-CD1 3.85Å; F263-Y271 HydrophobicContact CE1-CD1 3.85Å; F263-Y271 HydrophobicContact CE1-CD2 4.11Å; F263-Y271 AromaticContact CE1-CG 3.61Å; F263-Y271 HydrophobicContact CE1-CG 3.61Å; F263-Y271 AromaticContact CZ-CD1 3.68Å; F263-Y271 HydrophobicContact CZ-CD1 3.68Å; F263-Y271 HydrophobicContact CZ-CD2 4.36Å; F263-Y271 AromaticContact CZ-CE1 3.96Å; F263-Y271 HydrophobicContact CZ-CE1 3.96Å; F263-Y271 AromaticContact CZ-CG 3.89Å; F263-Y271 HydrophobicContact CZ-CG 3.89Å; F263-V279 HydrophobicContact CD1-CG2 4.4Å; F263-V279 HydrophobicContact CE1-CG2 3.25Å; F263-V279 HydrophobicContact CZ-CG2 3.33Å | ||
| 264 | E | 90.4 | Very high | 88.9 | Confident | 85 Ų | 85 | 43.7 Ų | 43.7 | 40% | 0.397 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -84.4 | 167.2 | 146.7 | -62 | -173.3 | 178.5 | 0 | 0 | 110.8 | R195 S266 Q267 L268 | R195-E264 WeakPolarHBondContact O-CA 3.48Å; E264-S266 VanDerWaalsContact C-N 3.32Å; E264-S266 PolarHBondContact O-N 3.42Å; E264-Q267 HydrophobicContact CB-CG 4.24Å; E264-Q267 PolarHBondContact O-N 2.96Å; E264-Q267 VanDerWaalsContact O-N 3.15Å; E264-L268 PolarHBondContact O-N 3.4Å |
| 265 | L | 88 | Confident | 88.7 | Confident | 31 Ų | 31 | 49 Ų | 49 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.9 | -46.1 | 178.9 | 179.2 | 65.3 | 0 | 0 | 0 | 112.5 | P182 Y185 F204 Q267 L268 L269 | P182-L265 HydrophobicContact CB-CD2 3.68Å; Y185-L265 HydrophobicContact CD1-CB 4.44Å; Y185-L265 HydrophobicContact CD1-CD1 4.24Å; Y185-L265 HydrophobicContact CD1-CD2 3.67Å; Y185-L265 HydrophobicContact CD1-CG 4.34Å; Y185-L265 HydrophobicContact CD2-CD1 4.17Å; Y185-L265 HydrophobicContact CE1-CB 4Å; Y185-L265 HydrophobicContact CE1-CD1 4.39Å; Y185-L265 HydrophobicContact CE1-CD2 4.08Å; Y185-L265 HydrophobicContact CE1-CG 4.38Å; Y185-L265 HydrophobicContact CE2-CD1 4.32Å; Y185-L265 HydrophobicContact CG-CD1 4.11Å; Y185-L265 HydrophobicContact CG-CD2 4.14Å; F204-L265 HydrophobicContact CE1-CD1 3.74Å; F204-L265 HydrophobicContact CZ-CD1 3.61Å; L265-Q267 VanDerWaalsContact C-N 3.33Å; L265-Q267 PolarHBondContact O-N 3.49Å; L265-L268 PolarHBondContact O-N 2.93Å; L265-L269 HydrophobicContact CG-CD1 4.45Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 3.18Å; L265-L269 VanDerWaalsContact O-N 3.07Å |
| 266 | S | 88.5 | Confident | 88.3 | Confident | 72 Ų | 72 | 53.9 Ų | 53.9 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 178.6 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | E264 L269 A270 | E264-S266 VanDerWaalsContact C-N 3.32Å; E264-S266 PolarHBondContact O-N 3.42Å; S266-L269 PolarHBondContact O-N 2.98Å; S266-A270 PolarHBondContact O-N 3Å |
| 267 | Q | 91.1 | Very high | 87.9 | Confident | 65 Ų | 65 | 58.6 Ų | 58.6 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 178.7 | -65.1 | 171.4 | -15.9 | 0 | 0 | 111.7 | F263 E264 L265 A270 Y271 L278 | F263-Q267 HydrophobicContact CD1-CB 4.41Å; E264-Q267 HydrophobicContact CB-CG 4.24Å; E264-Q267 PolarHBondContact O-N 2.96Å; E264-Q267 VanDerWaalsContact O-N 3.15Å; L265-Q267 VanDerWaalsContact C-N 3.33Å; L265-Q267 PolarHBondContact O-N 3.49Å; Q267-A270 WeakPolarHBondContact O-CB 3.18Å; Q267-A270 PolarHBondContact O-N 3.21Å; Q267-Y271 WeakPolarHBondContact O-CB 3.32Å; Q267-Y271 PolarHBondContact O-N 3.35Å; Q267-L278 HydrophobicContact CB-CD2 4.02Å; Q267-L278 HydrophobicContact CG-CD2 3.86Å |
| 268 | L | 91.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 174 | -176.8 | 72.4 | 0 | 0 | 0 | 111.5 | C197 I199 P201 F204 F246 F263 E264 L265 A270 Y271 R272 | C197-L268 HydrophobicContact CB-CD2 4.41Å; C197-L268 WeakPolarHBondContact SG-CD2 3.44Å; I199-L268 WeakPolarHBondContact O-CD2 2.99Å; P201-L268 HydrophobicContact CG-CD1 4.11Å; F204-L268 HydrophobicContact CD2-CD2 4.26Å; F204-L268 HydrophobicContact CE2-CD2 3.53Å; F204-L268 HydrophobicContact CZ-CD2 4.27Å; F246-L268 HydrophobicContact CE1-CD1 3.97Å; F246-L268 HydrophobicContact CZ-CD1 3.7Å; F263-L268 HydrophobicContact CB-CB 4.11Å; F263-L268 HydrophobicContact CD1-CB 4.43Å; F263-L268 HydrophobicContact CD1-CD1 4.34Å; F263-L268 HydrophobicContact CD2-CD1 4.06Å; F263-L268 HydrophobicContact CE2-CD1 4.28Å; F263-L268 HydrophobicContact CG-CB 4.31Å; F263-L268 HydrophobicContact CG-CD1 4.09Å; F263-L268 HydrophobicContact CZ-CD1 4.5Å; E264-L268 PolarHBondContact O-N 3.4Å; L265-L268 PolarHBondContact O-N 2.93Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.41Å; L268-Y271 WeakPolarHBondContact O-CB 3.47Å; L268-Y271 PolarHBondContact O-N 3Å; L268-R272 WeakPolarHBondContact O-CB 3.49Å; L268-R272 PolarHBondContact O-N 2.88Å |
| 269 | L | 88.9 | Confident | 87.7 | Confident | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -36 | 176.4 | -66.9 | 177.7 | 0 | 0 | 0 | 111.6 | E179 F204 L265 S266 R273 | E179-L269 HydrophobicContact CG-CD2 3.94Å; F204-L269 HydrophobicContact CD1-CD2 4.36Å; F204-L269 HydrophobicContact CG-CD2 4.25Å; L265-L269 HydrophobicContact CG-CD1 4.45Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 3.18Å; L265-L269 VanDerWaalsContact O-N 3.07Å; S266-L269 PolarHBondContact O-N 2.98Å; L269-R273 WeakPolarHBondContact O-CG 3.26Å; L269-R273 PolarHBondContact O-N 3.02Å; L269-R273 PolarHBondContact O-NH1 3.17Å |
| 270 | A | 89.1 | Confident | 87.9 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S266 Q267 L268 R272 R273 G274 E275 | S266-A270 PolarHBondContact O-N 3Å; Q267-A270 WeakPolarHBondContact O-CB 3.18Å; Q267-A270 PolarHBondContact O-N 3.21Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.41Å; A270-R272 VanDerWaalsContact C-N 3.28Å; A270-R272 PolarHBondContact O-N 3.46Å; A270-R273 VanDerWaalsContact CA-NH2 3.27Å; A270-R273 CarbonylContact O-C 3.58Å; A270-R273 WeakPolarHBondContact O-CA 3.31Å; A270-R273 WeakPolarHBondContact O-CB 3.4Å; A270-R273 PolarHBondContact O-N 3.37Å; A270-G274 PolarHBondContact O-N 3.21Å; A270-E275 HydrophobicContact CB-CB 4.18Å; A270-E275 HydrophobicContact CB-CG 4.39Å; A270-E275 WeakPolarHBondContact O-CB 3.4Å; A270-E275 PolarHBondContact O-N 3.43Å; A270-E275 VanDerWaalsContact O-N 3.12Å |
| 271 | Y | 90.8 | Very high | 87.9 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 176.2 | -175.8 | -114.7 | 0 | 0 | 0 | 111.9 | F246 F263 Q267 L268 R273 G274 E275 R276 V279 I299 I301 | F246-Y271 HydrophobicContact CE2-CE1 4.32Å; F263-Y271 AromaticContact CE1-CD1 3.85Å; F263-Y271 HydrophobicContact CE1-CD1 3.85Å; F263-Y271 HydrophobicContact CE1-CD2 4.11Å; F263-Y271 AromaticContact CE1-CG 3.61Å; F263-Y271 HydrophobicContact CE1-CG 3.61Å; F263-Y271 AromaticContact CZ-CD1 3.68Å; F263-Y271 HydrophobicContact CZ-CD1 3.68Å; F263-Y271 HydrophobicContact CZ-CD2 4.36Å; F263-Y271 AromaticContact CZ-CE1 3.96Å; F263-Y271 HydrophobicContact CZ-CE1 3.96Å; F263-Y271 AromaticContact CZ-CG 3.89Å; F263-Y271 HydrophobicContact CZ-CG 3.89Å; Q267-Y271 WeakPolarHBondContact O-CB 3.32Å; Q267-Y271 PolarHBondContact O-N 3.35Å; L268-Y271 WeakPolarHBondContact O-CB 3.47Å; L268-Y271 PolarHBondContact O-N 3Å; Y271-R273 VanDerWaalsContact C-N 3.27Å; Y271-R273 PolarHBondContact O-N 3.43Å; Y271-G274 PolarHBondContact O-N 3.38Å; Y271-E275 WeakPolarHBondContact CA-O 3.41Å; Y271-R276 HydrophobicContact CD2-CG 4.3Å; Y271-R276 HydrophobicContact CE2-CB 4.38Å; Y271-R276 HydrophobicContact CE2-CG 3.91Å; Y271-V279 HydrophobicContact CD2-CB 4.38Å; Y271-V279 HydrophobicContact CD2-CG2 3.56Å; Y271-V279 HydrophobicContact CE2-CB 3.97Å; Y271-V279 HydrophobicContact CE2-CG1 4.28Å; Y271-V279 HydrophobicContact CE2-CG2 3.54Å; Y271-V279 HydrophobicContact CG-CG2 4.22Å; Y271-I299 PolarHBondContact OH-O 3.13Å; Y271-I299 VanDerWaalsContact OH-O 3.08Å; Y271-I301 HydrophobicContact CD1-CD1 4.44Å; Y271-I301 HydrophobicContact CD1-CG1 3.86Å; Y271-I301 HydrophobicContact CD2-CD1 4.45Å; Y271-I301 HydrophobicContact CE1-CB 4.48Å; Y271-I301 HydrophobicContact CE1-CD1 4.14Å; Y271-I301 HydrophobicContact CE1-CG1 3.3Å; Y271-I301 HydrophobicContact CE2-CD1 4.14Å; Y271-I301 HydrophobicContact CE2-CG1 4.13Å; Y271-I301 HydrophobicContact CG-CG1 4.47Å; Y271-I301 VanDerWaalsContact CZ-CG1 3.46Å; Y271-I301 VanDerWaalsContact O-CD1 3.27Å; Y271-I301 WeakPolarHBondContact O-CD1 3.32Å |
| 272 | R | 88.2 | Confident | 88 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 30% | 0.302 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -34.4 | 173.4 | -172.9 | -175.9 | -176.2 | -176.4 | 17 | 113 | E179 P201 F204 L268 A270 G274 | E179-R272 IonicContact OE2-CZ 3.95Å; E179-R272 IonicContact OE2-NH1 2.7Å; E179-R272 PolarHBondContact OE2-NH1 3.35Å; P201-R272 HydrophobicContact CB-CB 4.22Å; P201-R272 HydrophobicContact CB-CG 4.08Å; F204-R272 PolarHBondContact O-NH1 3.3Å; F204-R272 PolarHBondContact O-NH2 3.15Å; L268-R272 WeakPolarHBondContact O-CB 3.49Å; L268-R272 PolarHBondContact O-N 2.88Å; A270-R272 VanDerWaalsContact C-N 3.28Å; A270-R272 PolarHBondContact O-N 3.46Å; R272-G274 PolarHBondContact O-N 2.78Å |
| 273 | R | 88.2 | Confident | 88.1 | Confident | 154 Ų | 154 | 62.6 Ų | 62.6 | 58% | 0.581 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -5.4 | 175 | -68.9 | -174.6 | -60.1 | -94.6 | 3.1 | 113.6 | L269 A270 Y271 E275 | L269-R273 WeakPolarHBondContact O-CG 3.26Å; L269-R273 PolarHBondContact O-N 3.02Å; L269-R273 PolarHBondContact O-NH1 3.17Å; A270-R273 VanDerWaalsContact CA-NH2 3.27Å; A270-R273 CarbonylContact O-C 3.58Å; A270-R273 WeakPolarHBondContact O-CA 3.31Å; A270-R273 WeakPolarHBondContact O-CB 3.4Å; A270-R273 PolarHBondContact O-N 3.37Å; Y271-R273 VanDerWaalsContact C-N 3.27Å; Y271-R273 PolarHBondContact O-N 3.43Å; R273-E275 IonicContact CZ-OE1 3.95Å; R273-E275 IonicContact NE-OE1 3.56Å; R273-E275 IonicContact NH2-OE1 3.4Å; R273-E275 PolarHBondContact NH2-OE1 3.11Å |
| 274 | G | 84.8 | Confident | 88 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 46% | 0.464 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106 | 4.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A270 Y271 R272 R276 | A270-G274 PolarHBondContact O-N 3.21Å; Y271-G274 PolarHBondContact O-N 3.38Å; R272-G274 PolarHBondContact O-N 2.78Å; G274-R276 PolarHBondContact O-N 3.09Å |
| 275 | E | 88.3 | Confident | 87.7 | Confident | 111 Ų | 111 | 64.5 Ų | 64.5 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | trans | -78 | 99.6 | 176.9 | -60.8 | 172 | -128.4 | 0 | 0 | 110.3 | A270 Y271 R273 | A270-E275 HydrophobicContact CB-CB 4.18Å; A270-E275 HydrophobicContact CB-CG 4.39Å; A270-E275 WeakPolarHBondContact O-CB 3.4Å; A270-E275 PolarHBondContact O-N 3.43Å; A270-E275 VanDerWaalsContact O-N 3.12Å; Y271-E275 WeakPolarHBondContact CA-O 3.41Å; R273-E275 IonicContact CZ-OE1 3.95Å; R273-E275 IonicContact NE-OE1 3.56Å; R273-E275 IonicContact NH2-OE1 3.4Å; R273-E275 PolarHBondContact NH2-OE1 3.11Å | ||
| 276 | R | 86.6 | Confident | 87.8 | Confident | 103 Ų | 103 | 63.4 Ų | 63.4 | 39% | 0.389 | 34% | 0.336 | S | S | . | . | trans | -99.9 | -12.3 | -171.1 | -62.8 | -173.4 | 176.5 | -169.5 | -2.3 | 115.4 | Y271 G274 L278 V279 E280 | Y271-R276 HydrophobicContact CD2-CG 4.3Å; Y271-R276 HydrophobicContact CE2-CB 4.38Å; Y271-R276 HydrophobicContact CE2-CG 3.91Å; G274-R276 PolarHBondContact O-N 3.09Å; R276-L278 VanDerWaalsContact C-N 3.3Å; R276-L278 PolarHBondContact O-N 3.48Å; R276-L278 VanDerWaalsContact O-N 3.14Å; R276-V279 PolarHBondContact O-N 3.4Å; R276-E280 HydrophobicContact CB-CG 4.43Å; R276-E280 PolarHBondContact O-N 3.48Å | ||
| 277 | D | 84 | Confident | 87.7 | Confident | 131 Ų | 131 | 68.3 Ų | 68.3 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -52.5 | -42.2 | -170 | -56.9 | -11.3 | 0 | 0 | 0 | 114 | E280 K281 | D277-E280 PolarHBondContact O-N 3.01Å; D277-K281 WeakPolarHBondContact O-CB 3.46Å; D277-K281 PolarHBondContact O-N 2.94Å |
| 278 | L | 83.1 | Confident | 87.6 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 31% | 0.314 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | -179.8 | -178.4 | 66.1 | 0 | 0 | 0 | 112.1 | Q267 R276 K281 H282 | Q267-L278 HydrophobicContact CB-CD2 4.02Å; Q267-L278 HydrophobicContact CG-CD2 3.86Å; R276-L278 VanDerWaalsContact C-N 3.3Å; R276-L278 PolarHBondContact O-N 3.48Å; R276-L278 VanDerWaalsContact O-N 3.14Å; L278-K281 PolarHBondContact O-N 3.05Å; L278-H282 PolarHBondContact O-N 2.92Å; L278-H282 VanDerWaalsContact O-N 3.08Å; L278-H282 PolarHBondContact O-ND1 2.88Å |
| 279 | V | 85.4 | Confident | 87.7 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.9 | -42.4 | -179.9 | 179 | 0 | 0 | 0 | 0 | 110.1 | F263 Y271 R276 K281 H282 L283 I299 | F263-V279 HydrophobicContact CD1-CG2 4.4Å; F263-V279 HydrophobicContact CE1-CG2 3.25Å; F263-V279 HydrophobicContact CZ-CG2 3.33Å; Y271-V279 HydrophobicContact CD2-CB 4.38Å; Y271-V279 HydrophobicContact CD2-CG2 3.56Å; Y271-V279 HydrophobicContact CE2-CB 3.97Å; Y271-V279 HydrophobicContact CE2-CG1 4.28Å; Y271-V279 HydrophobicContact CE2-CG2 3.54Å; Y271-V279 HydrophobicContact CG-CG2 4.22Å; R276-V279 PolarHBondContact O-N 3.4Å; V279-K281 VanDerWaalsContact C-N 3.27Å; V279-K281 PolarHBondContact O-N 3.38Å; V279-H282 PolarHBondContact O-N 3.22Å; V279-L283 HydrophobicContact CG1-CD1 3.89Å; V279-L283 HydrophobicContact CG1-CG 4.29Å; V279-L283 WeakPolarHBondContact O-CB 3.49Å; V279-L283 VanDerWaalsContact O-CG 3.32Å; V279-L283 WeakPolarHBondContact O-CG 3.41Å; V279-L283 PolarHBondContact O-N 3.33Å; V279-I299 HydrophobicContact CG1-CD1 3.44Å; V279-I299 VanDerWaalsContact CG1-CD1 3.44Å; V279-I299 HydrophobicContact CG1-CG1 4.31Å |
| 280 | E | 87.4 | Confident | 87.9 | Confident | 112 Ų | 112 | 78.5 Ų | 78.5 | 52% | 0.523 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.4 | -39 | 175.1 | -70 | 179.6 | -172.7 | 0 | 0 | 111.5 | R276 D277 L283 A284 | R276-E280 HydrophobicContact CB-CG 4.43Å; R276-E280 PolarHBondContact O-N 3.48Å; D277-E280 PolarHBondContact O-N 3.01Å; E280-L283 PolarHBondContact O-N 2.86Å; E280-A284 VanDerWaalsContact O-CB 3.24Å; E280-A284 WeakPolarHBondContact O-CB 3.22Å; E280-A284 PolarHBondContact O-N 3.4Å |
| 281 | K | 87.8 | Confident | 88.1 | Confident | 158 Ų | 158 | 78 Ų | 78 | 69% | 0.687 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 173.5 | -173.8 | 179.8 | 178.3 | -177.5 | 0 | 112.6 | D277 L278 V279 A284 G285 | D277-K281 WeakPolarHBondContact O-CB 3.46Å; D277-K281 PolarHBondContact O-N 2.94Å; L278-K281 PolarHBondContact O-N 3.05Å; V279-K281 VanDerWaalsContact C-N 3.27Å; V279-K281 PolarHBondContact O-N 3.38Å; K281-A284 PolarHBondContact O-N 3.4Å; K281-G285 PolarHBondContact O-N 2.8Å |
| 282 | H | 87.4 | Confident | 88.3 | Confident | 29 Ų | 29 | 81.3 Ų | 81.3 | 13% | 0.134 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.3 | -68.3 | 143.7 | 0 | 0 | 0 | 111.9 | L253 T257 L278 V279 G285 | L253-H282 HydrophobicContact CD1-CB 4.29Å; L253-H282 HydrophobicContact CD2-CB 4.18Å; L253-H282 HydrophobicContact CG-CB 4.42Å; T257-H282 HydrophobicContact CG2-CB 4.47Å; L278-H282 PolarHBondContact O-N 2.92Å; L278-H282 VanDerWaalsContact O-N 3.08Å; L278-H282 PolarHBondContact O-ND1 2.88Å; V279-H282 PolarHBondContact O-N 3.22Å; H282-G285 PolarHBondContact O-N 3.2Å |
| 283 | L | 90 | Very high | 88.6 | Confident | 19 Ų | 19 | 81.7 Ų | 81.7 | 10% | 0.099 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.2 | -36.6 | 177.5 | -71.5 | 172.1 | 0 | 0 | 0 | 112.4 | L253 V279 E280 G285 I286 R292 L295 A296 I299 | L253-L283 HydrophobicContact CD1-CD2 4.14Å; V279-L283 HydrophobicContact CG1-CD1 3.89Å; V279-L283 HydrophobicContact CG1-CG 4.29Å; V279-L283 WeakPolarHBondContact O-CB 3.49Å; V279-L283 VanDerWaalsContact O-CG 3.32Å; V279-L283 WeakPolarHBondContact O-CG 3.41Å; V279-L283 PolarHBondContact O-N 3.33Å; E280-L283 PolarHBondContact O-N 2.86Å; L283-G285 PolarHBondContact O-N 2.88Å; L283-I286 WeakPolarHBondContact O-CB 3.47Å; L283-I286 PolarHBondContact O-N 3.21Å; L283-I286 VanDerWaalsContact O-N 3.09Å; L283-R292 HydrophobicContact CB-CG 3.93Å; L283-R292 HydrophobicContact CD2-CG 4.25Å; L283-R292 WeakPolarHBondContact O-CD 3.4Å; L283-R292 WeakPolarHBondContact O-CG 3.43Å; L283-R292 PolarHBondContact O-NE 3.05Å; L283-L295 HydrophobicContact CD2-CB 4.07Å; L283-A296 HydrophobicContact CD1-CB 3.93Å; L283-I299 HydrophobicContact CD1-CD1 4.34Å; L283-I299 HydrophobicContact CD2-CD1 4.35Å |
| 284 | A | 88.4 | Confident | 89 | Confident | 68 Ų | 68 | 74.6 Ų | 74.6 | 56% | 0.562 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.5 | -25.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E280 K281 I286 | E280-A284 VanDerWaalsContact O-CB 3.24Å; E280-A284 WeakPolarHBondContact O-CB 3.22Å; E280-A284 PolarHBondContact O-N 3.4Å; K281-A284 PolarHBondContact O-N 3.4Å; A284-I286 PolarHBondContact O-N 3.4Å |
| 285 | G | 84.7 | Confident | 89.5 | Confident | 60 Ų | 60 | 72.4 Ų | 72.4 | 62% | 0.619 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K281 H282 L283 | K281-G285 PolarHBondContact O-N 2.8Å; H282-G285 PolarHBondContact O-N 3.2Å; L283-G285 PolarHBondContact O-N 2.88Å |
| 286 | I | 89.8 | Confident | 89.8 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | trans | -92.7 | 115.3 | 179.8 | -57.3 | -178.3 | 0 | 0 | 0 | 109.7 | L253 W256 L283 A284 N288 L291 R292 L295 | L253-I286 HydrophobicContact CD1-CD1 3.72Å; W256-I286 HydrophobicContact CB-CD1 4.12Å; W256-I286 HydrophobicContact CB-CG1 4.43Å; L283-I286 WeakPolarHBondContact O-CB 3.47Å; L283-I286 PolarHBondContact O-N 3.21Å; L283-I286 VanDerWaalsContact O-N 3.09Å; A284-I286 PolarHBondContact O-N 3.4Å; I286-N288 PolarHBondContact O-N 3.21Å; I286-L291 HydrophobicContact CG2-CB 4.26Å; I286-L291 HydrophobicContact CG2-CD2 3.67Å; I286-L291 HydrophobicContact CG2-CG 4.03Å; I286-R292 PolarHBondContact O-NE 2.94Å; I286-R292 VanDerWaalsContact O-NE 3.15Å; I286-R292 PolarHBondContact O-NH2 2.84Å; I286-L295 HydrophobicContact CD1-CD1 3.45Å; I286-L295 VanDerWaalsContact CD1-CD1 3.45Å | ||
| 287 | E | 86.5 | Confident | 90.3 | Very high | 176 Ų | 176 | 65.2 Ų | 65.2 | 82% | 0.822 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -62 | -44.6 | -177.7 | -63.1 | -179.6 | 169.7 | 0 | 0 | 112.9 | E289 | E287-E289 PolarHBondContact O-N 3.01Š|
| 288 | N | 89.6 | Confident | 90.9 | Very high | 61 Ų | 61 | 59 Ų | 59 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | trans | -76.1 | 116 | -176.7 | -171 | -63 | 0 | 0 | 0 | 112.1 | I286 R290 L291 R292 | I286-N288 PolarHBondContact O-N 3.21Å; N288-R290 PolarHBondContact O-N 3Å; N288-R290 PolarHBondContact OD1-N 3.46Å; N288-L291 HydrophobicContact CB-CB 4.03Å; N288-L291 PolarHBondContact O-N 3.04Å; N288-L291 PolarHBondContact OD1-N 2.96Å; N288-L291 VanDerWaalsContact OD1-N 3.1Å; N288-R292 PolarHBondContact O-N 2.86Å | ||
| 289 | E | 92.4 | Very high | 91.5 | Very high | 130 Ų | 130 | 56.1 Ų | 56.1 | 61% | 0.607 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.8 | -39.9 | -177.2 | -169.3 | -174.7 | 166.3 | 0 | 0 | 113.4 | E287 R292 N293 | E287-E289 PolarHBondContact O-N 3.01Å; E289-R292 WeakPolarHBondContact O-CB 3.2Å; E289-R292 PolarHBondContact O-N 2.89Å; E289-N293 VanDerWaalsContact O-CG 3.23Å; E289-N293 PolarHBondContact O-N 3.49Å; E289-N293 PolarHBondContact O-ND2 3.48Å |
| 290 | R | 93.1 | Very high | 91.9 | Very high | 114 Ų | 114 | 57.5 Ų | 57.5 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 180 | -70.4 | -171.5 | 164.5 | -91.1 | 1.8 | 112 | N288 R292 N293 L294 E316 | N288-R290 PolarHBondContact O-N 3Å; N288-R290 PolarHBondContact OD1-N 3.46Å; R290-R292 VanDerWaalsContact C-N 3.28Å; R290-R292 PolarHBondContact O-N 3.21Å; R290-N293 PolarHBondContact O-N 3.48Å; R290-L294 WeakPolarHBondContact O-CB 3.28Å; R290-L294 PolarHBondContact O-N 2.99Å; R290-E316 IonicContact NH1-OE2 3.14Å |
| 291 | L | 93.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 173.4 | 178.9 | 63.9 | 0 | 0 | 0 | 111.1 | W256 I286 N288 N293 L294 L295 L320 | W256-L291 HydrophobicContact CD2-CD2 3.37Å; W256-L291 HydrophobicContact CE3-CD2 3.65Å; W256-L291 HydrophobicContact CG-CD2 3.82Å; W256-L291 HydrophobicContact CH2-CD2 3.93Å; W256-L291 HydrophobicContact CZ2-CD1 4.47Å; W256-L291 HydrophobicContact CZ2-CD2 3.68Å; W256-L291 HydrophobicContact CZ3-CD2 3.92Å; I286-L291 HydrophobicContact CG2-CB 4.26Å; I286-L291 HydrophobicContact CG2-CD2 3.67Å; I286-L291 HydrophobicContact CG2-CG 4.03Å; N288-L291 HydrophobicContact CB-CB 4.03Å; N288-L291 PolarHBondContact O-N 3.04Å; N288-L291 PolarHBondContact OD1-N 2.96Å; N288-L291 VanDerWaalsContact OD1-N 3.1Å; L291-N293 VanDerWaalsContact C-N 3.35Å; L291-N293 PolarHBondContact O-N 3.28Å; L291-L294 PolarHBondContact O-N 3.18Å; L291-L295 HydrophobicContact CD1-CD1 4.06Å; L291-L295 HydrophobicContact CD1-CG 4.15Å; L291-L295 HydrophobicContact CG-CD1 4.06Å; L291-L295 HydrophobicContact CG-CG 4.48Å; L291-L295 WeakPolarHBondContact O-CB 3.46Å; L291-L295 WeakPolarHBondContact O-CG 3.44Å; L291-L295 PolarHBondContact O-N 3.2Å; L291-L320 HydrophobicContact CB-CD1 3.91Å; L291-L320 HydrophobicContact CB-CD2 4.34Å; L291-L320 HydrophobicContact CD1-CD2 4.09Å |
| 292 | R | 94.9 | Very high | 92.2 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 176.2 | -166.2 | -172.9 | -49.4 | 161.7 | 9.7 | 111.6 | L283 I286 N288 E289 R290 L295 A296 | L283-R292 HydrophobicContact CB-CG 3.93Å; L283-R292 HydrophobicContact CD2-CG 4.25Å; L283-R292 WeakPolarHBondContact O-CD 3.4Å; L283-R292 WeakPolarHBondContact O-CG 3.43Å; L283-R292 PolarHBondContact O-NE 3.05Å; I286-R292 PolarHBondContact O-NE 2.94Å; I286-R292 VanDerWaalsContact O-NE 3.15Å; I286-R292 PolarHBondContact O-NH2 2.84Å; N288-R292 PolarHBondContact O-N 2.86Å; E289-R292 WeakPolarHBondContact O-CB 3.2Å; E289-R292 PolarHBondContact O-N 2.89Å; R290-R292 VanDerWaalsContact C-N 3.28Å; R290-R292 PolarHBondContact O-N 3.21Å; R292-L295 PolarHBondContact O-N 3.14Å; R292-A296 VanDerWaalsContact O-CB 3.27Å; R292-A296 WeakPolarHBondContact O-CB 3.45Å; R292-A296 PolarHBondContact O-N 3.42Å |
| 293 | N | 94.7 | Very high | 92.4 | Very high | 89 Ų | 89 | 51.2 Ų | 51.2 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 178.6 | -68.5 | -20.7 | 0 | 0 | 0 | 112.3 | E289 R290 L291 S297 | E289-N293 VanDerWaalsContact O-CG 3.23Å; E289-N293 PolarHBondContact O-N 3.49Å; E289-N293 PolarHBondContact O-ND2 3.48Å; R290-N293 PolarHBondContact O-N 3.48Å; L291-N293 VanDerWaalsContact C-N 3.35Å; L291-N293 PolarHBondContact O-N 3.28Å; N293-S297 WeakPolarHBondContact O-CB 3.22Å; N293-S297 PolarHBondContact O-N 2.82Å |
| 294 | L | 95.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -52.3 | 173.6 | -179 | 163.7 | 0 | 0 | 0 | 110.6 | R290 L291 S297 M298 Y312 E316 L320 F321 | R290-L294 WeakPolarHBondContact O-CB 3.28Å; R290-L294 PolarHBondContact O-N 2.99Å; L291-L294 PolarHBondContact O-N 3.18Å; L294-S297 WeakPolarHBondContact O-CB 3.43Å; L294-S297 PolarHBondContact O-N 2.89Å; L294-M298 HydrophobicContact CD2-CG 4.1Å; L294-M298 HydrophobicContact CD2-SD 3.4Å; L294-M298 WeakPolarHBondContact CD2-SD 3.33Å; L294-M298 WeakPolarHBondContact O-CG 3.35Å; L294-M298 PolarHBondContact O-N 2.7Å; L294-Y312 HydrophobicContact CG-CD1 4.34Å; L294-E316 HydrophobicContact CD1-CG 3.86Å; L294-L320 HydrophobicContact CD1-CD2 3.62Å; L294-F321 HydrophobicContact CD1-CE2 4.41Å; L294-F321 HydrophobicContact CD1-CZ 4.45Å |
| 295 | L | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -39.8 | -178.1 | -66.9 | 176.2 | 0 | 0 | 0 | 111.9 | L252 L253 L283 I286 L291 R292 S297 M298 I299 | L252-L295 HydrophobicContact CB-CD2 3.49Å; L252-L295 VanDerWaalsContact CB-CD2 3.49Å; L252-L295 HydrophobicContact CD1-CD2 4.03Å; L252-L295 HydrophobicContact CG-CD2 4.43Å; L253-L295 HydrophobicContact CD1-CD1 4.37Å; L283-L295 HydrophobicContact CD2-CB 4.07Å; I286-L295 HydrophobicContact CD1-CD1 3.45Å; I286-L295 VanDerWaalsContact CD1-CD1 3.45Å; L291-L295 HydrophobicContact CD1-CD1 4.06Å; L291-L295 HydrophobicContact CD1-CG 4.15Å; L291-L295 HydrophobicContact CG-CD1 4.06Å; L291-L295 HydrophobicContact CG-CG 4.48Å; L291-L295 WeakPolarHBondContact O-CB 3.46Å; L291-L295 WeakPolarHBondContact O-CG 3.44Å; L291-L295 PolarHBondContact O-N 3.2Å; R292-L295 PolarHBondContact O-N 3.14Å; L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 3.23Å; L295-M298 HydrophobicContact CD2-SD 4.39Å; L295-M298 PolarHBondContact O-N 2.89Å; L295-M298 VanDerWaalsContact O-N 3.17Å; L295-I299 VanDerWaalsContact O-CG1 3.29Å; L295-I299 WeakPolarHBondContact O-CG1 3.21Å; L295-I299 PolarHBondContact O-N 3.36Å |
| 296 | A | 94.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 56.7 Ų | 56.7 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L283 R292 I299 D300 | L283-A296 HydrophobicContact CD1-CB 3.93Å; R292-A296 VanDerWaalsContact O-CB 3.27Å; R292-A296 WeakPolarHBondContact O-CB 3.45Å; R292-A296 PolarHBondContact O-N 3.42Å; A296-I299 PolarHBondContact O-N 3.02Å; A296-D300 PolarHBondContact O-N 3.47Å |
| 297 | S | 96.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.8 | -36.2 | 175.7 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | N293 L294 L295 Y312 | N293-S297 WeakPolarHBondContact O-CB 3.22Å; N293-S297 PolarHBondContact O-N 2.82Å; L294-S297 WeakPolarHBondContact O-CB 3.43Å; L294-S297 PolarHBondContact O-N 2.89Å; L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 3.23Å; S297-Y312 WeakPolarHBondContact CB-OH 3.4Å; S297-Y312 PolarHBondContact O-OH 3.29Å; S297-Y312 WeakPolarHBondContact OG-CE1 3.31Å; S297-Y312 PolarHBondContact OG-OH 3.18Å |
| 298 | M | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.2 | -36.8 | 177.4 | -70.9 | -178.3 | 76.9 | 0 | 0 | 112.6 | L135 I245 F246 A248 L252 L294 L295 R306 Y312 | L135-M298 HydrophobicContact CD2-CE 3.91Å; L135-M298 HydrophobicContact CD2-SD 4.26Å; I245-M298 HydrophobicContact CG2-CB 4.1Å; I245-M298 HydrophobicContact CG2-CE 4.13Å; I245-M298 HydrophobicContact CG2-CG 4Å; I245-M298 WeakPolarHBondContact O-CE 3.46Å; F246-M298 WeakPolarHBondContact CA-O 3.34Å; A248-M298 HydrophobicContact CB-CE 3.89Å; L252-M298 HydrophobicContact CD1-CE 4.01Å; L252-M298 HydrophobicContact CD1-SD 3.96Å; L294-M298 HydrophobicContact CD2-CG 4.1Å; L294-M298 HydrophobicContact CD2-SD 3.4Å; L294-M298 WeakPolarHBondContact CD2-SD 3.33Å; L294-M298 WeakPolarHBondContact O-CG 3.35Å; L294-M298 PolarHBondContact O-N 2.7Å; L295-M298 HydrophobicContact CD2-SD 4.39Å; L295-M298 PolarHBondContact O-N 2.89Å; L295-M298 VanDerWaalsContact O-N 3.17Å; M298-R306 VanDerWaalsContact O-CD 3.3Å; M298-R306 WeakPolarHBondContact O-CD 3.39Å; M298-Y312 HydrophobicContact CG-CD2 4.3Å; M298-Y312 HydrophobicContact CG-CE1 4.34Å; M298-Y312 HydrophobicContact CG-CE2 3.69Å; M298-Y312 PolarHBondContact N-OH 3.22Å |
| 299 | I | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 14.7 | -178.2 | 72.7 | -168.7 | 0 | 0 | 0 | 113.5 | F246 L253 Y271 V279 L283 L295 A296 I301 | F246-I299 HydrophobicContact CD2-CB 4.29Å; F246-I299 HydrophobicContact CE2-CB 4.09Å; F246-I299 VanDerWaalsContact CE2-O 3.28Å; F246-I299 WeakPolarHBondContact CE2-O 3.19Å; L253-I299 HydrophobicContact CD2-CD1 3.88Å; Y271-I299 PolarHBondContact OH-O 3.13Å; Y271-I299 VanDerWaalsContact OH-O 3.08Å; V279-I299 HydrophobicContact CG1-CD1 3.44Å; V279-I299 VanDerWaalsContact CG1-CD1 3.44Å; V279-I299 HydrophobicContact CG1-CG1 4.31Å; L283-I299 HydrophobicContact CD1-CD1 4.34Å; L283-I299 HydrophobicContact CD2-CD1 4.35Å; L295-I299 VanDerWaalsContact O-CG1 3.29Å; L295-I299 WeakPolarHBondContact O-CG1 3.21Å; L295-I299 PolarHBondContact O-N 3.36Å; A296-I299 PolarHBondContact O-N 3.02Å; I299-I301 PolarHBondContact O-N 3.5Å |
| 300 | D | 94.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 49.1 Ų | 49.1 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | trans | -56.9 | 138 | 178.3 | -165.8 | -61.3 | 0 | 0 | 0 | 110.8 | A296 H302 N305 R306 | A296-D300 PolarHBondContact O-N 3.47Å; D300-H302 PolarHBondContact O-N 3.28Å; D300-H302 IonicContact OD1-CD2 2.77Å; D300-H302 IonicContact OD1-CG 3.24Å; D300-H302 PolarHBondContact OD1-N 3.43Å; D300-N305 HydrophobicContact CB-CB 4.16Å; D300-N305 PolarHBondContact OD1-ND2 2.77Å; D300-N305 PolarHBondContact OD2-ND2 3.15Å; D300-R306 HydrophobicContact CB-CG 4.28Å; D300-R306 PolarHBondContact O-NE 3.43Å; D300-R306 PolarHBondContact O-NH2 3.09Å | ||
| 301 | I | 91.4 | Very high | 94.7 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -59.1 | -37 | 179.8 | -59.9 | 170.5 | 0 | 0 | 0 | 110.7 | Y271 I299 R306 | Y271-I301 HydrophobicContact CD1-CD1 4.44Å; Y271-I301 HydrophobicContact CD1-CG1 3.86Å; Y271-I301 HydrophobicContact CD2-CD1 4.45Å; Y271-I301 HydrophobicContact CE1-CB 4.48Å; Y271-I301 HydrophobicContact CE1-CD1 4.14Å; Y271-I301 HydrophobicContact CE1-CG1 3.3Å; Y271-I301 HydrophobicContact CE2-CD1 4.14Å; Y271-I301 HydrophobicContact CE2-CG1 4.13Å; Y271-I301 HydrophobicContact CG-CG1 4.47Å; Y271-I301 VanDerWaalsContact CZ-CG1 3.46Å; Y271-I301 VanDerWaalsContact O-CD1 3.27Å; Y271-I301 WeakPolarHBondContact O-CD1 3.32Å; I299-I301 PolarHBondContact O-N 3.5Å; I301-R306 PolarHBondContact O-NH2 3.09Å |
| 302 | H | 90 | Very high | 94.8 | Very high | 113 Ų | 113 | 47.1 Ų | 47.1 | 52% | 0.523 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -89.5 | 118.6 | -179.6 | -58.5 | -65.7 | 0 | 0 | 0 | 110.7 | D300 M304 N305 | D300-H302 PolarHBondContact O-N 3.28Å; D300-H302 IonicContact OD1-CD2 2.77Å; D300-H302 IonicContact OD1-CG 3.24Å; D300-H302 PolarHBondContact OD1-N 3.43Å; H302-M304 PolarHBondContact O-N 3.09Å; H302-M304 VanDerWaalsContact O-N 3.14Å; H302-N305 PolarHBondContact O-N 3.46Å; H302-N305 VanDerWaalsContact O-N 3.1Å |
| 303 | S | 92.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -57.5 | -31 | -178.8 | 58 | 0 | 0 | 0 | 0 | 114 | N305 R306 | S303-N305 VanDerWaalsContact C-N 3.32Å; S303-N305 PolarHBondContact O-N 3.1Å; S303-R306 PolarHBondContact O-N 2.98Å |
| 304 | M | 91.4 | Very high | 94.9 | Very high | 160 Ų | 160 | 44.1 Ų | 44.1 | 79% | 0.788 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -72.8 | -21.9 | -179.3 | -60 | -59.3 | -177.3 | 0 | 0 | 113.9 | H302 R306 | H302-M304 PolarHBondContact O-N 3.09Å; H302-M304 VanDerWaalsContact O-N 3.14Å; M304-R306 VanDerWaalsContact C-N 3.3Å |
| 305 | N | 92.9 | Very high | 94.8 | Very high | 87 Ų | 87 | 47.7 Ų | 47.7 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -80.8 | -17.7 | 177.5 | -67.2 | -12 | 0 | 0 | 0 | 111.8 | D300 H302 S303 K307 | D300-N305 HydrophobicContact CB-CB 4.16Å; D300-N305 PolarHBondContact OD1-ND2 2.77Å; D300-N305 PolarHBondContact OD2-ND2 3.15Å; H302-N305 PolarHBondContact O-N 3.46Å; H302-N305 VanDerWaalsContact O-N 3.1Å; S303-N305 VanDerWaalsContact C-N 3.32Å; S303-N305 PolarHBondContact O-N 3.1Å; N305-K307 PolarHBondContact O-N 3.28Å |
| 306 | R | 95.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -76.7 | 123 | 178.9 | -55.6 | -179.5 | -161.9 | 140.4 | 10 | 109 | E202 A242 I245 M298 D300 I301 S303 M304 | E202-R306 IonicContact OE1-CZ 2.64Å; E202-R306 IonicContact OE1-NH1 2.92Å; E202-R306 PolarHBondContact OE1-NH1 3.49Å; E202-R306 IonicContact OE1-NH2 3.13Å; E202-R306 IonicContact OE2-CZ 3Å; E202-R306 IonicContact OE2-NH1 3.69Å; E202-R306 PolarHBondContact OE2-NH1 3.22Å; E202-R306 IonicContact OE2-NH2 2.85Å; E202-R306 PolarHBondContact OE2-NH2 3.15Å; A242-R306 WeakPolarHBondContact O-CD 3.25Å; A242-R306 PolarHBondContact O-NH1 2.96Å; I245-R306 HydrophobicContact CG2-CB 4.15Å; M298-R306 VanDerWaalsContact O-CD 3.3Å; M298-R306 WeakPolarHBondContact O-CD 3.39Å; D300-R306 HydrophobicContact CB-CG 4.28Å; D300-R306 PolarHBondContact O-NE 3.43Å; D300-R306 PolarHBondContact O-NH2 3.09Å; I301-R306 PolarHBondContact O-NH2 3.09Å; S303-R306 PolarHBondContact O-N 2.98Å; M304-R306 VanDerWaalsContact C-N 3.3Å |
| 307 | K | 95.6 | Very high | 94.8 | Very high | 84 Ų | 84 | 51.9 Ų | 51.9 | 37% | 0.365 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 165.6 | 176.7 | -57.2 | 169.7 | 178.5 | 165.5 | 0 | 111.3 | N305 D311 Y312 | N305-K307 PolarHBondContact O-N 3.28Å; K307-D311 HydrophobicContact CB-CB 4.02Å; K307-Y312 HydrophobicContact CB-CD1 4.33Å; K307-Y312 HydrophobicContact CB-CD2 4.23Å; K307-Y312 HydrophobicContact CB-CE1 3.93Å; K307-Y312 HydrophobicContact CB-CE2 3.81Å; K307-Y312 HydrophobicContact CB-CG 4.47Å; K307-Y312 HydrophobicContact CD-CD1 4.24Å; K307-Y312 HydrophobicContact CD-CE1 3.85Å; K307-Y312 HydrophobicContact CG-CE1 4.23Å; K307-Y312 PolarHBondContact N-OH 3.02Å; K307-Y312 WeakPolarHBondContact O-CE2 3.24Å |
| 308 | S | 96.5 | Very high | 94.4 | Very high | 51 Ų | 51 | 53 Ų | 53 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 159.8 | 172.2 | 76.7 | 0 | 0 | 0 | 0 | 111.2 | E310 D311 Y312 | S308-E310 PolarHBondContact O-N 2.72Å; S308-D311 WeakPolarHBondContact CB-OD2 3.37Å; S308-D311 PolarHBondContact N-OD2 3.18Å; S308-D311 PolarHBondContact O-N 3.38Å; S308-D311 PolarHBondContact OG-N 3.47Å; S308-D311 VanDerWaalsContact OG-N 3.15Å; S308-D311 PolarHBondContact OG-OD2 2.97Å; S308-Y312 WeakPolarHBondContact O-CD2 3.3Å; S308-Y312 PolarHBondContact O-N 3.27Å; S308-Y312 VanDerWaalsContact O-N 3.12Å |
| 309 | A | 95.9 | Very high | 94 | Very high | 2 Ų | 2 | 58 Ų | 58 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -32.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L138 N139 I245 L313 | L138-A309 HydrophobicContact CB-CB 3.78Å; N139-A309 HydrophobicContact CB-CB 4.15Å; I245-A309 HydrophobicContact CD1-CB 4.03Å; A309-L313 VanDerWaalsContact O-CG 3.28Å; A309-L313 WeakPolarHBondContact O-CG 3.38Å; A309-L313 PolarHBondContact O-N 3.28Å; A309-L313 VanDerWaalsContact O-N 3.09Å |
| 310 | E | 96.3 | Very high | 93.8 | Very high | 77 Ų | 77 | 58 Ų | 58 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -47.4 | 174.8 | -177.1 | 161.4 | -140.6 | 0 | 0 | 111.3 | K143 S308 Y312 L313 D314 | K143-E310 WeakPolarHBondContact CE-OE1 3.32Å; K143-E310 WeakPolarHBondContact CE-OE2 3.4Å; K143-E310 IonicContact NZ-OE1 3.82Å; K143-E310 PolarHBondContact NZ-OE1 2.82Å; K143-E310 IonicContact NZ-OE2 3.6Å; K143-E310 PolarHBondContact NZ-OE2 3.43Å; S308-E310 PolarHBondContact O-N 2.72Å; E310-Y312 VanDerWaalsContact C-N 3.31Å; E310-Y312 PolarHBondContact O-N 2.96Å; E310-L313 WeakPolarHBondContact O-CB 3.36Å; E310-L313 PolarHBondContact O-N 3.38Å; E310-L313 VanDerWaalsContact O-N 3.12Å; E310-D314 PolarHBondContact O-N 3.25Å |
| 311 | D | 96.8 | Very high | 93.8 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 178.3 | -60.7 | -47.4 | 0 | 0 | 0 | 112.3 | K307 S308 D314 Q315 | K307-D311 HydrophobicContact CB-CB 4.02Å; S308-D311 WeakPolarHBondContact CB-OD2 3.37Å; S308-D311 PolarHBondContact N-OD2 3.18Å; S308-D311 PolarHBondContact O-N 3.38Å; S308-D311 PolarHBondContact OG-N 3.47Å; S308-D311 VanDerWaalsContact OG-N 3.15Å; S308-D311 PolarHBondContact OG-OD2 2.97Å; D311-D314 PolarHBondContact O-N 3.31Å; D311-Q315 WeakPolarHBondContact O-CB 3.35Å; D311-Q315 WeakPolarHBondContact O-CG 3.44Å; D311-Q315 PolarHBondContact O-N 3.12Å |
| 312 | Y | 97.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 175.1 | -73.3 | -57.2 | 0 | 0 | 0 | 111.8 | I245 L294 S297 M298 K307 S308 E310 D314 E316 | I245-Y312 HydrophobicContact CG2-CE2 3.9Å; L294-Y312 HydrophobicContact CG-CD1 4.34Å; S297-Y312 WeakPolarHBondContact CB-OH 3.4Å; S297-Y312 PolarHBondContact O-OH 3.29Å; S297-Y312 WeakPolarHBondContact OG-CE1 3.31Å; S297-Y312 PolarHBondContact OG-OH 3.18Å; M298-Y312 HydrophobicContact CG-CD2 4.3Å; M298-Y312 HydrophobicContact CG-CE1 4.34Å; M298-Y312 HydrophobicContact CG-CE2 3.69Å; M298-Y312 PolarHBondContact N-OH 3.22Å; K307-Y312 HydrophobicContact CB-CD1 4.33Å; K307-Y312 HydrophobicContact CB-CD2 4.23Å; K307-Y312 HydrophobicContact CB-CE1 3.93Å; K307-Y312 HydrophobicContact CB-CE2 3.81Å; K307-Y312 HydrophobicContact CB-CG 4.47Å; K307-Y312 HydrophobicContact CD-CD1 4.24Å; K307-Y312 HydrophobicContact CD-CE1 3.85Å; K307-Y312 HydrophobicContact CG-CE1 4.23Å; K307-Y312 PolarHBondContact N-OH 3.02Å; K307-Y312 WeakPolarHBondContact O-CE2 3.24Å; S308-Y312 WeakPolarHBondContact O-CD2 3.3Å; S308-Y312 PolarHBondContact O-N 3.27Å; S308-Y312 VanDerWaalsContact O-N 3.12Å; E310-Y312 VanDerWaalsContact C-N 3.31Å; E310-Y312 PolarHBondContact O-N 2.96Å; Y312-D314 VanDerWaalsContact C-N 3.34Å; Y312-E316 WeakPolarHBondContact O-CB 3.46Å; Y312-E316 WeakPolarHBondContact O-CG 3.49Å; Y312-E316 PolarHBondContact O-N 3.24Å |
| 313 | L | 96 | Very high | 93.8 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.2 | -75.7 | 168.2 | 0 | 0 | 0 | 111.6 | F132 L135 N139 A309 E310 R317 Y326 | F132-L313 HydrophobicContact CD2-CD2 3.58Å; F132-L313 HydrophobicContact CE2-CD2 3.65Å; L135-L313 HydrophobicContact CB-CD1 4.22Å; L135-L313 HydrophobicContact CB-CD2 3.79Å; L135-L313 HydrophobicContact CB-CG 3.88Å; L135-L313 HydrophobicContact CD1-CD2 4.25Å; N139-L313 HydrophobicContact CB-CD1 4.26Å; A309-L313 VanDerWaalsContact O-CG 3.28Å; A309-L313 WeakPolarHBondContact O-CG 3.38Å; A309-L313 PolarHBondContact O-N 3.28Å; A309-L313 VanDerWaalsContact O-N 3.09Å; E310-L313 WeakPolarHBondContact O-CB 3.36Å; E310-L313 PolarHBondContact O-N 3.38Å; E310-L313 VanDerWaalsContact O-N 3.12Å; L313-R317 PolarHBondContact O-N 2.86Å; L313-Y326 HydrophobicContact CB-CE1 4.4Å; L313-Y326 PolarHBondContact O-OH 3.2Å |
| 314 | D | 95.4 | Very high | 93.7 | Very high | 98 Ų | 98 | 53.8 Ų | 53.8 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73.8 | -40.2 | -178.9 | -74 | -18.3 | 0 | 0 | 0 | 112.6 | E310 D311 Y312 E316 | E310-D314 PolarHBondContact O-N 3.25Å; D311-D314 PolarHBondContact O-N 3.31Å; Y312-D314 VanDerWaalsContact C-N 3.34Å; D314-E316 VanDerWaalsContact C-N 3.3Å; D314-E316 PolarHBondContact O-N 2.64Å |
| 315 | Q | 94.7 | Very high | 93.9 | Very high | 80 Ų | 80 | 46.2 Ų | 46.2 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.3 | -33.1 | 179.9 | -75.2 | 169.5 | 21.1 | 0 | 0 | 113 | D311 Q319 | D311-Q315 WeakPolarHBondContact O-CB 3.35Å; D311-Q315 WeakPolarHBondContact O-CG 3.44Å; D311-Q315 PolarHBondContact O-N 3.12Å; Q315-Q319 PolarHBondContact O-NE2 2.84Å |
| 316 | E | 94.5 | Very high | 93.9 | Very high | 17 Ų | 17 | 43.8 Ų | 43.8 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -1 | -173.1 | -65.5 | -60.8 | 156.6 | 0 | 0 | 113.9 | R290 L294 Y312 D314 G318 Q319 L320 F321 | R290-E316 IonicContact NH1-OE2 3.14Å; L294-E316 HydrophobicContact CD1-CG 3.86Å; Y312-E316 WeakPolarHBondContact O-CB 3.46Å; Y312-E316 WeakPolarHBondContact O-CG 3.49Å; Y312-E316 PolarHBondContact O-N 3.24Å; D314-E316 VanDerWaalsContact C-N 3.3Å; D314-E316 PolarHBondContact O-N 2.64Å; E316-G318 PolarHBondContact O-N 3.43Å; E316-Q319 PolarHBondContact O-N 3.14Å; E316-Q319 VanDerWaalsContact O-N 3.14Å; E316-L320 HydrophobicContact CB-CB 4.08Å; E316-L320 HydrophobicContact CG-CB 4.44Å; E316-L320 PolarHBondContact O-N 3.32Å; E316-L320 VanDerWaalsContact O-N 3.11Å; E316-L320 VanDerWaalsContact OE2-CB 3.22Å; E316-L320 WeakPolarHBondContact OE2-CB 3.38Å; E316-F321 HydrophobicContact CB-CD2 3.77Å; E316-F321 HydrophobicContact CB-CE2 3.94Å; E316-F321 PolarHBondContact O-N 3.3Å; E316-F321 VanDerWaalsContact O-N 3.12Å |
| 317 | R | 94.6 | Very high | 93.7 | Very high | 106 Ų | 106 | 46.5 Ų | 46.5 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -61.5 | 127.7 | 174.9 | -179.5 | 172.2 | 179.1 | 174.6 | 2.2 | 111.1 | L313 Q319 E323 Y326 | L313-R317 PolarHBondContact O-N 2.86Å; R317-Q319 PolarHBondContact O-N 3.15Å; R317-E323 WeakPolarHBondContact CG-OE2 3.22Å; R317-E323 IonicContact CZ-OE1 3.99Å; R317-E323 VanDerWaalsContact CZ-OE1 3.29Å; R317-E323 IonicContact CZ-OE2 3.62Å; R317-E323 IonicContact NE-OE1 3.91Å; R317-E323 PolarHBondContact NE-OE1 2.81Å; R317-E323 VanDerWaalsContact NE-OE1 3.11Å; R317-E323 IonicContact NE-OE2 2.83Å; R317-E323 PolarHBondContact NE-OE2 2.96Å; R317-E323 IonicContact NH2-OE1 3Å; R317-E323 PolarHBondContact NH2-OE1 2.83Å; R317-E323 IonicContact NH2-OE2 3.14Å; R317-Y326 HydrophobicContact CB-CD2 4.5Å; R317-Y326 HydrophobicContact CB-CE1 4.06Å; R317-Y326 HydrophobicContact CB-CE2 3.92Å; R317-Y326 HydrophobicContact CG-CD1 4.29Å; R317-Y326 HydrophobicContact CG-CD2 3.86Å; R317-Y326 HydrophobicContact CG-CE1 4.14Å; R317-Y326 HydrophobicContact CG-CE2 3.77Å; R317-Y326 HydrophobicContact CG-CG 4.15Å |
| 318 | G | 88.1 | Confident | 93.5 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 51% | 0.505 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -0.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E316 F321 | E316-G318 PolarHBondContact O-N 3.43Å; G318-F321 WeakPolarHBondContact CA-O 3.3Å; G318-F321 PolarHBondContact N-O 3.39Å |
| 319 | Q | 89.5 | Confident | 93.3 | Very high | 106 Ų | 106 | 41.1 Ų | 41.1 | 50% | 0.495 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -79.9 | -178 | -62.8 | 174.2 | 52.1 | 0 | 0 | 109.5 | Q315 E316 R317 | Q315-Q319 PolarHBondContact O-NE2 2.84Å; E316-Q319 PolarHBondContact O-N 3.14Å; E316-Q319 VanDerWaalsContact O-N 3.14Å; R317-Q319 PolarHBondContact O-N 3.15Å |
| 320 | L | 91 | Very high | 93 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -42.3 | 173.4 | 176.6 | 66.1 | 0 | 0 | 0 | 111.6 | L291 L294 E316 | L291-L320 HydrophobicContact CB-CD1 3.91Å; L291-L320 HydrophobicContact CB-CD2 4.34Å; L291-L320 HydrophobicContact CD1-CD2 4.09Å; L294-L320 HydrophobicContact CD1-CD2 3.62Å; E316-L320 HydrophobicContact CB-CB 4.08Å; E316-L320 HydrophobicContact CG-CB 4.44Å; E316-L320 PolarHBondContact O-N 3.32Å; E316-L320 VanDerWaalsContact O-N 3.11Å; E316-L320 VanDerWaalsContact OE2-CB 3.22Å; E316-L320 WeakPolarHBondContact OE2-CB 3.38Å |
| 321 | F | 93.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -101.3 | 124 | 179.7 | -58.2 | -55.7 | 0 | 0 | 0 | 110.1 | K128 T131 F132 L135 L294 E316 G318 F325 Y326 | K128-F321 HydrophobicContact CB-CD1 4.49Å; K128-F321 WeakPolarHBondContact O-CE1 3.3Å; T131-F321 HydrophobicContact CG2-CE1 4.14Å; T131-F321 HydrophobicContact CG2-CZ 3.87Å; F132-F321 HydrophobicContact CB-CD1 3.91Å; F132-F321 HydrophobicContact CB-CE1 3.9Å; F132-F321 HydrophobicContact CB-CG 4.41Å; F132-F321 HydrophobicContact CB-CZ 4.39Å; F132-F321 HydrophobicContact CD2-CB 4.41Å; F132-F321 HydrophobicContact CD2-CD1 4.44Å; F132-F321 HydrophobicContact CD2-CD2 4.22Å; F132-F321 HydrophobicContact CD2-CG 4.1Å; L135-F321 HydrophobicContact CD1-CE2 4Å; L135-F321 HydrophobicContact CD1-CZ 4.06Å; L294-F321 HydrophobicContact CD1-CE2 4.41Å; L294-F321 HydrophobicContact CD1-CZ 4.45Å; E316-F321 HydrophobicContact CB-CD2 3.77Å; E316-F321 HydrophobicContact CB-CE2 3.94Å; E316-F321 PolarHBondContact O-N 3.3Å; E316-F321 VanDerWaalsContact O-N 3.12Å; G318-F321 WeakPolarHBondContact CA-O 3.3Å; G318-F321 PolarHBondContact N-O 3.39Å; F321-F325 HydrophobicContact CB-CD2 4.11Å; F321-F325 HydrophobicContact CD1-CD2 4.29Å; F321-F325 HydrophobicContact CD1-CE2 4.29Å; F321-Y326 HydrophobicContact CB-CE2 3.7Å; F321-Y326 WeakPolarHBondContact CD2-OH 3.31Å |
| 322 | P | 91.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | trans | -58.4 | 144.7 | 177.8 | -24.7 | 34.4 | 0 | 0 | 0 | 112.6 | L125 Y324 F325 | L125-P322 HydrophobicContact CD1-CG 4.37Å; P322-Y324 HydrophobicContact CB-CD1 3.55Å; P322-Y324 HydrophobicContact CB-CD2 4.49Å; P322-Y324 HydrophobicContact CB-CE1 3.17Å; P322-Y324 HydrophobicContact CB-CE2 4.21Å; P322-Y324 HydrophobicContact CB-CG 4.19Å; P322-Y324 HydrophobicContact CG-CE1 3.84Å; P322-Y324 PolarHBondContact O-N 3.34Å; P322-Y324 VanDerWaalsContact O-N 3.16Å; P322-F325 HydrophobicContact CB-CD1 4.47Å; P322-F325 HydrophobicContact CG-CE1 4.31Å; P322-F325 HydrophobicContact CG-CZ 4.4Å; P322-F325 VanDerWaalsContact O-CB 3.28Å; P322-F325 WeakPolarHBondContact O-CB 3.44Å; P322-F325 PolarHBondContact O-N 3.16Å | ||
| 323 | E | 90.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 34% | 0.341 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.5 | -36.1 | -177.9 | -177.5 | 60 | -162.2 | 0 | 0 | 112.6 | R317 F325 Y326 S327 | R317-E323 WeakPolarHBondContact CG-OE2 3.22Å; R317-E323 IonicContact CZ-OE1 3.99Å; R317-E323 VanDerWaalsContact CZ-OE1 3.29Å; R317-E323 IonicContact CZ-OE2 3.62Å; R317-E323 IonicContact NE-OE1 3.91Å; R317-E323 PolarHBondContact NE-OE1 2.81Å; R317-E323 VanDerWaalsContact NE-OE1 3.11Å; R317-E323 IonicContact NE-OE2 2.83Å; R317-E323 PolarHBondContact NE-OE2 2.96Å; R317-E323 IonicContact NH2-OE1 3Å; R317-E323 PolarHBondContact NH2-OE1 2.83Å; R317-E323 IonicContact NH2-OE2 3.14Å; E323-F325 PolarHBondContact O-N 3.05Å; E323-F325 VanDerWaalsContact O-N 3.13Å; E323-Y326 PolarHBondContact O-N 3.49Å; E323-S327 PolarHBondContact O-N 3.48Å; E323-S327 PolarHBondContact O-OG 3.31Å |
| 324 | Y | 91.2 | Very high | 92 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -17 | 178.5 | 66.5 | -105.1 | 0 | 0 | 0 | 113.7 | P322 Y326 F328 L329 L362 | P322-Y324 HydrophobicContact CB-CD1 3.55Å; P322-Y324 HydrophobicContact CB-CD2 4.49Å; P322-Y324 HydrophobicContact CB-CE1 3.17Å; P322-Y324 HydrophobicContact CB-CE2 4.21Å; P322-Y324 HydrophobicContact CB-CG 4.19Å; P322-Y324 HydrophobicContact CG-CE1 3.84Å; P322-Y324 PolarHBondContact O-N 3.34Å; P322-Y324 VanDerWaalsContact O-N 3.16Å; Y324-Y326 VanDerWaalsContact C-N 3.3Å; Y324-F328 PolarHBondContact O-N 2.98Å; Y324-L329 HydrophobicContact CD2-CB 4.41Å; Y324-L329 HydrophobicContact CE2-CD2 4.4Å; Y324-L329 WeakPolarHBondContact O-CB 3.48Å; Y324-L329 PolarHBondContact O-N 3.39Å; Y324-L362 HydrophobicContact CD2-CD2 3.31Å; Y324-L362 HydrophobicContact CE2-CD2 3.46Å; Y324-L362 VanDerWaalsContact CE2-CD2 3.46Å; Y324-L362 HydrophobicContact CG-CD2 3.91Å |
| 325 | F | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -61.6 | -43 | 170.1 | -77.3 | 7.3 | 0 | 0 | 0 | 110.8 | L125 K128 W129 F132 F321 P322 E323 L329 Q330 L396 | L125-F325 HydrophobicContact CD1-CE1 4.39Å; L125-F325 HydrophobicContact CD1-CZ 3.96Å; K128-F325 HydrophobicContact CB-CE2 4.26Å; W129-F325 HydrophobicContact CB-CE2 4.18Å; W129-F325 HydrophobicContact CB-CZ 3.9Å; W129-F325 HydrophobicContact CE3-CB 4.43Å; W129-F325 AromaticContact CE3-CD1 3.86Å; W129-F325 HydrophobicContact CE3-CD1 3.86Å; W129-F325 AromaticContact CE3-CD2 3.74Å; W129-F325 HydrophobicContact CE3-CD2 3.74Å; W129-F325 AromaticContact CE3-CE1 3.92Å; W129-F325 HydrophobicContact CE3-CE1 3.92Å; W129-F325 AromaticContact CE3-CE2 3.82Å; W129-F325 HydrophobicContact CE3-CE2 3.82Å; W129-F325 AromaticContact CE3-CG 3.76Å; W129-F325 HydrophobicContact CE3-CG 3.76Å; W129-F325 AromaticContact CE3-CZ 3.92Å; W129-F325 HydrophobicContact CE3-CZ 3.92Å; W129-F325 HydrophobicContact CZ3-CB 4.06Å; W129-F325 HydrophobicContact CZ3-CD1 4.13Å; W129-F325 HydrophobicContact CZ3-CD2 4.18Å; W129-F325 AromaticContact CZ3-CG 3.89Å; W129-F325 HydrophobicContact CZ3-CG 3.89Å; F132-F325 HydrophobicContact CB-CD2 4.06Å; F132-F325 HydrophobicContact CB-CE2 4.38Å; F132-F325 HydrophobicContact CD1-CB 4.47Å; F132-F325 HydrophobicContact CD1-CD2 4.32Å; F132-F325 HydrophobicContact CD2-CD2 4.32Å; F132-F325 HydrophobicContact CE1-CB 4.32Å; F132-F325 HydrophobicContact CE2-CB 4.36Å; F132-F325 AromaticContact CG-CD2 3.97Å; F132-F325 HydrophobicContact CG-CD2 3.97Å; F132-F325 HydrophobicContact CZ-CB 4.26Å; F321-F325 HydrophobicContact CB-CD2 4.11Å; F321-F325 HydrophobicContact CD1-CD2 4.29Å; F321-F325 HydrophobicContact CD1-CE2 4.29Å; P322-F325 HydrophobicContact CB-CD1 4.47Å; P322-F325 HydrophobicContact CG-CE1 4.31Å; P322-F325 HydrophobicContact CG-CZ 4.4Å; P322-F325 VanDerWaalsContact O-CB 3.28Å; P322-F325 WeakPolarHBondContact O-CB 3.44Å; P322-F325 PolarHBondContact O-N 3.16Å; E323-F325 PolarHBondContact O-N 3.05Å; E323-F325 VanDerWaalsContact O-N 3.13Å; F325-L329 HydrophobicContact CD1-CD2 3.79Å; F325-L329 HydrophobicContact CE1-CD2 3.92Å; F325-Q330 WeakPolarHBondContact O-CB 3.38Å; F325-Q330 PolarHBondContact O-N 3.48Å; F325-L396 HydrophobicContact CE1-CD1 3.78Å; F325-L396 HydrophobicContact CZ-CD1 4.2Å |
| 326 | Y | 93.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 37.1 Ų | 37.1 | 14% | 0.141 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -82.6 | -46.9 | -177.1 | -58.9 | -104.5 | 0 | 0 | 0 | 111.6 | F132 L313 R317 F321 E323 Y324 | F132-Y326 HydrophobicContact CD2-CE2 4.33Å; F132-Y326 AromaticContact CE2-CD1 3.91Å; F132-Y326 HydrophobicContact CE2-CD1 3.91Å; F132-Y326 HydrophobicContact CE2-CD2 4.17Å; F132-Y326 AromaticContact CE2-CE1 3.59Å; F132-Y326 HydrophobicContact CE2-CE1 3.59Å; F132-Y326 AromaticContact CE2-CE2 3.81Å; F132-Y326 HydrophobicContact CE2-CE2 3.81Å; F132-Y326 HydrophobicContact CE2-CG 4.2Å; F132-Y326 AromaticContact CE2-CZ 3.5Å; F132-Y326 HydrophobicContact CZ-CD1 4.26Å; F132-Y326 HydrophobicContact CZ-CE1 4.37Å; F132-Y326 HydrophobicContact CZ-CG 4.42Å; L313-Y326 HydrophobicContact CB-CE1 4.4Å; L313-Y326 PolarHBondContact O-OH 3.2Å; R317-Y326 HydrophobicContact CB-CD2 4.5Å; R317-Y326 HydrophobicContact CB-CE1 4.06Å; R317-Y326 HydrophobicContact CB-CE2 3.92Å; R317-Y326 HydrophobicContact CG-CD1 4.29Å; R317-Y326 HydrophobicContact CG-CD2 3.86Å; R317-Y326 HydrophobicContact CG-CE1 4.14Å; R317-Y326 HydrophobicContact CG-CE2 3.77Å; R317-Y326 HydrophobicContact CG-CG 4.15Å; F321-Y326 HydrophobicContact CB-CE2 3.7Å; F321-Y326 WeakPolarHBondContact CD2-OH 3.31Å; E323-Y326 PolarHBondContact O-N 3.49Å; Y324-Y326 VanDerWaalsContact C-N 3.3Å |
| 327 | S | 90.8 | Very high | 90.8 | Very high | 72 Ų | 72 | 37.8 Ų | 37.8 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -81.1 | -20.3 | -168.8 | 69.6 | 0 | 0 | 0 | 0 | 114.1 | E323 | E323-S327 PolarHBondContact O-N 3.48Å; E323-S327 PolarHBondContact O-OG 3.31Å |
| 328 | F | 91.9 | Very high | 90.1 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 10% | 0.096 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -141.9 | -61.8 | -172.1 | 174.9 | -107.5 | 0 | 0 | 0 | 113.2 | Y324 Q330 S331 Y332 H357 V361 | Y324-F328 PolarHBondContact O-N 2.98Å; F328-Q330 PolarHBondContact O-N 3.23Å; F328-S331 PolarHBondContact O-N 2.9Å; F328-S331 PolarHBondContact O-OG 3.44Å; F328-Y332 HydrophobicContact CE1-CG 4.33Å; F328-Y332 AromaticContact CE2-CD2 3.87Å; F328-Y332 HydrophobicContact CE2-CD2 3.87Å; F328-Y332 HydrophobicContact CE2-CG 4.03Å; F328-Y332 HydrophobicContact CZ-CD1 4.17Å; F328-Y332 AromaticContact CZ-CD2 3.85Å; F328-Y332 HydrophobicContact CZ-CD2 3.85Å; F328-Y332 HydrophobicContact CZ-CE2 4.39Å; F328-Y332 AromaticContact CZ-CG 3.74Å; F328-Y332 HydrophobicContact CZ-CG 3.74Å; F328-Y332 WeakPolarHBondContact O-CB 3.43Å; F328-Y332 PolarHBondContact O-N 3.18Å; F328-H357 AromaticContact CD2-NE2 3.94Å; F328-H357 AromaticContact CE2-CD2 3.58Å; F328-H357 AromaticContact CE2-NE2 3.74Å; F328-V361 HydrophobicContact CB-CG1 3.83Å; F328-V361 HydrophobicContact CD1-CB 4.3Å; F328-V361 HydrophobicContact CD1-CG1 3.77Å; F328-V361 HydrophobicContact CG-CG1 3.83Å |
| 329 | L | 91.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -63 | -44.2 | -164.1 | -172.9 | 68.8 | 0 | 0 | 0 | 112.1 | W129 Y324 F325 Y332 L333 L396 I397 | W129-L329 HydrophobicContact CD2-CD2 4.03Å; W129-L329 HydrophobicContact CE3-CD2 3.76Å; W129-L329 HydrophobicContact CH2-CB 4.48Å; W129-L329 HydrophobicContact CH2-CD2 4.03Å; W129-L329 HydrophobicContact CH2-CG 4.02Å; W129-L329 HydrophobicContact CZ2-CD2 4.26Å; W129-L329 HydrophobicContact CZ2-CG 4.31Å; W129-L329 HydrophobicContact CZ3-CB 4.47Å; W129-L329 HydrophobicContact CZ3-CD2 3.76Å; W129-L329 HydrophobicContact CZ3-CG 4.17Å; Y324-L329 HydrophobicContact CD2-CB 4.41Å; Y324-L329 HydrophobicContact CE2-CD2 4.4Å; Y324-L329 WeakPolarHBondContact O-CB 3.48Å; Y324-L329 PolarHBondContact O-N 3.39Å; F325-L329 HydrophobicContact CD1-CD2 3.79Å; F325-L329 HydrophobicContact CE1-CD2 3.92Å; L329-Y332 PolarHBondContact O-N 3.35Å; L329-L333 HydrophobicContact CD1-CD1 3.73Å; L329-L333 HydrophobicContact CD1-CD2 4.48Å; L329-L333 HydrophobicContact CD1-CG 3.84Å; L329-L333 HydrophobicContact CD2-CD1 4.49Å; L329-L333 HydrophobicContact CG-CD1 3.87Å; L329-L333 HydrophobicContact CG-CG 4.18Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CG 3.49Å; L329-L333 PolarHBondContact O-N 3.3Å; L329-L396 HydrophobicContact CD2-CB 4.44Å; L329-L396 HydrophobicContact CD2-CD1 3.41Å; L329-L396 VanDerWaalsContact CD2-CD1 3.41Å; L329-I397 HydrophobicContact CD1-CD1 4.05Å |
| 330 | Q | 91.5 | Very high | 88.7 | Confident | 43 Ų | 43 | 39 Ų | 39 | 20% | 0.201 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -53.4 | 177.3 | -177.5 | 179.4 | 14.4 | 0 | 0 | 112 | W129 F132 C136 F325 F328 Y332 Q334 | W129-Q330 HydrophobicContact CH2-CB 4.16Å; F132-Q330 HydrophobicContact CE1-CB 4.15Å; F132-Q330 HydrophobicContact CE1-CG 4.29Å; C136-Q330 PolarHBondContact SG-NE2 3.5Å; F325-Q330 WeakPolarHBondContact O-CB 3.38Å; F325-Q330 PolarHBondContact O-N 3.48Å; F328-Q330 PolarHBondContact O-N 3.23Å; Q330-Y332 VanDerWaalsContact C-N 3.32Å; Q330-Y332 PolarHBondContact O-N 3.1Å; Q330-Q334 WeakPolarHBondContact O-CB 3.3Å; Q330-Q334 PolarHBondContact O-N 3.13Å |
| 331 | S | 90.8 | Very high | 88.2 | Confident | 63 Ų | 63 | 44.2 Ų | 44.2 | 44% | 0.441 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 178.8 | 44.6 | 0 | 0 | 0 | 0 | 112.1 | F328 Q334 M335 | F328-S331 PolarHBondContact O-N 2.9Å; F328-S331 PolarHBondContact O-OG 3.44Å; S331-Q334 PolarHBondContact O-N 3.46Å; S331-M335 WeakPolarHBondContact O-CG 3.41Å; S331-M335 PolarHBondContact O-N 2.97Å |
| 332 | Y | 91.8 | Very high | 87.9 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.5 | -49.1 | -176.9 | -173.3 | -101 | 0 | 0 | 0 | 111.4 | F328 L329 Q330 M335 F336 L351 D354 | F328-Y332 HydrophobicContact CE1-CG 4.33Å; F328-Y332 AromaticContact CE2-CD2 3.87Å; F328-Y332 HydrophobicContact CE2-CD2 3.87Å; F328-Y332 HydrophobicContact CE2-CG 4.03Å; F328-Y332 HydrophobicContact CZ-CD1 4.17Å; F328-Y332 AromaticContact CZ-CD2 3.85Å; F328-Y332 HydrophobicContact CZ-CD2 3.85Å; F328-Y332 HydrophobicContact CZ-CE2 4.39Å; F328-Y332 AromaticContact CZ-CG 3.74Å; F328-Y332 HydrophobicContact CZ-CG 3.74Å; F328-Y332 WeakPolarHBondContact O-CB 3.43Å; F328-Y332 PolarHBondContact O-N 3.18Å; L329-Y332 PolarHBondContact O-N 3.35Å; Q330-Y332 VanDerWaalsContact C-N 3.32Å; Q330-Y332 PolarHBondContact O-N 3.1Å; Y332-M335 HydrophobicContact CD2-CE 3.52Å; Y332-M335 HydrophobicContact CE2-CE 3.72Å; Y332-M335 HydrophobicContact CG-CE 4.21Å; Y332-M335 WeakPolarHBondContact O-CB 3.33Å; Y332-M335 PolarHBondContact O-N 2.85Å; Y332-F336 HydrophobicContact CD1-CE2 4.31Å; Y332-F336 AromaticContact CE1-CE2 3.89Å; Y332-F336 HydrophobicContact CE1-CE2 3.89Å; Y332-F336 AromaticContact CE1-CZ 3.87Å; Y332-F336 HydrophobicContact CE1-CZ 3.87Å; Y332-L351 HydrophobicContact CE1-CD2 3.66Å; Y332-D354 HydrophobicContact CE2-CB 4.23Å; Y332-D354 WeakPolarHBondContact CE2-OD2 3.48Å; Y332-D354 PolarHBondContact OH-OD2 3.46Å |
| 333 | L | 91.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.7 | -32.2 | 178.5 | -73.7 | -166.5 | 0 | 0 | 0 | 112.8 | W129 W161 W163 L329 M335 F336 V400 | W129-L333 HydrophobicContact CZ2-CD1 3.75Å; W161-L333 HydrophobicContact CE3-CD1 4.47Å; W161-L333 HydrophobicContact CE3-CD2 4.36Å; W161-L333 HydrophobicContact CH2-CB 4.37Å; W161-L333 VanDerWaalsContact CH2-O 3.3Å; W161-L333 WeakPolarHBondContact CH2-O 3.38Å; W161-L333 HydrophobicContact CZ3-CB 3.77Å; W161-L333 HydrophobicContact CZ3-CD1 4.09Å; W161-L333 HydrophobicContact CZ3-CD2 3.91Å; W161-L333 HydrophobicContact CZ3-CG 4.1Å; W163-L333 HydrophobicContact CE3-CB 4.18Å; W163-L333 HydrophobicContact CZ3-CB 3.74Å; L329-L333 HydrophobicContact CD1-CD1 3.73Å; L329-L333 HydrophobicContact CD1-CD2 4.48Å; L329-L333 HydrophobicContact CD1-CG 3.84Å; L329-L333 HydrophobicContact CD2-CD1 4.49Å; L329-L333 HydrophobicContact CG-CD1 3.87Å; L329-L333 HydrophobicContact CG-CG 4.18Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CG 3.49Å; L329-L333 PolarHBondContact O-N 3.3Å; L333-M335 PolarHBondContact O-N 2.73Å; L333-F336 HydrophobicContact CD2-CD2 3.94Å; L333-F336 HydrophobicContact CD2-CE2 3.98Å; L333-F336 WeakPolarHBondContact O-CB 3.42Å; L333-F336 PolarHBondContact O-N 3.49Å; L333-V400 HydrophobicContact CD2-CG2 3.83Å |
| 334 | Q | 90 | Very high | 88.1 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -30.4 | 174.4 | 177.1 | 174.5 | -2.1 | 0 | 0 | 112.6 | V86 W163 Q330 S331 F336 S337 S338 | V86-Q334 HydrophobicContact CB-CG 4.36Å; V86-Q334 HydrophobicContact CG1-CG 3.97Å; V86-Q334 HydrophobicContact CG2-CG 3.98Å; W163-Q334 HydrophobicContact CH2-CB 3.99Å; Q330-Q334 WeakPolarHBondContact O-CB 3.3Å; Q330-Q334 PolarHBondContact O-N 3.13Å; S331-Q334 PolarHBondContact O-N 3.46Å; Q334-F336 PolarHBondContact O-N 2.91Å; Q334-S337 PolarHBondContact O-N 3.06Å; Q334-S337 VanDerWaalsContact O-N 3.13Å; Q334-S337 PolarHBondContact O-OG 3.03Å; Q334-S337 VanDerWaalsContact O-OG 3.05Å; Q334-S338 PolarHBondContact O-N 3Å; Q334-S338 PolarHBondContact O-OG 3.26Å |
| 335 | M | 89.5 | Confident | 88.2 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 44% | 0.443 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -31.2 | 175.6 | -57.5 | -169.5 | -60.2 | 0 | 0 | 111.9 | S331 Y332 L333 | S331-M335 WeakPolarHBondContact O-CG 3.41Å; S331-M335 PolarHBondContact O-N 2.97Å; Y332-M335 HydrophobicContact CD2-CE 3.52Å; Y332-M335 HydrophobicContact CE2-CE 3.72Å; Y332-M335 HydrophobicContact CG-CE 4.21Å; Y332-M335 WeakPolarHBondContact O-CB 3.33Å; Y332-M335 PolarHBondContact O-N 2.85Å; L333-M335 PolarHBondContact O-N 2.73Å |
| 336 | F | 87.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13 | -179.8 | -57.7 | -34.2 | 0 | 0 | 0 | 114.6 | W161 Y332 L333 Q334 M342 K347 C350 L351 V400 | W161-F336 HydrophobicContact CH2-CB 3.96Å; W161-F336 HydrophobicContact CZ2-CB 4.25Å; W161-F336 HydrophobicContact CZ3-CD2 4.48Å; Y332-F336 HydrophobicContact CD1-CE2 4.31Å; Y332-F336 AromaticContact CE1-CE2 3.89Å; Y332-F336 HydrophobicContact CE1-CE2 3.89Å; Y332-F336 AromaticContact CE1-CZ 3.87Å; Y332-F336 HydrophobicContact CE1-CZ 3.87Å; L333-F336 HydrophobicContact CD2-CD2 3.94Å; L333-F336 HydrophobicContact CD2-CE2 3.98Å; L333-F336 WeakPolarHBondContact O-CB 3.42Å; L333-F336 PolarHBondContact O-N 3.49Å; Q334-F336 PolarHBondContact O-N 2.91Å; F336-M342 HydrophobicContact CD1-SD 3.72Å; F336-M342 HydrophobicContact CE1-CE 4.43Å; F336-M342 HydrophobicContact CE1-SD 4.11Å; F336-K347 HydrophobicContact CB-CD 4.25Å; F336-K347 HydrophobicContact CD1-CD 4.43Å; F336-K347 HydrophobicContact CD1-CG 3.89Å; F336-K347 HydrophobicContact CE1-CG 4.32Å; F336-K347 HydrophobicContact CG-CD 4.32Å; F336-K347 HydrophobicContact CG-CG 4.26Å; F336-K347 WeakPolarHBondContact O-CE 3.26Å; F336-K347 PolarHBondContact O-NZ 3.46Å; F336-C350 HydrophobicContact CE1-CB 4.31Å; F336-L351 HydrophobicContact CE2-CD1 4.47Å; F336-L351 HydrophobicContact CE2-CD2 4.31Å; F336-L351 HydrophobicContact CE2-CG 4.3Å; F336-L351 HydrophobicContact CZ-CD1 4.5Å; F336-L351 HydrophobicContact CZ-CD2 4.28Å; F336-L351 HydrophobicContact CZ-CG 4Å; F336-V400 HydrophobicContact CD2-CG1 4.37Å; F336-V400 HydrophobicContact CE2-CG1 4.32Å |
| 337 | S | 83 | Confident | 88.2 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -13.9 | 176.5 | 61 | 0 | 0 | 0 | 0 | 113.3 | W163 Q334 | W163-S337 WeakPolarHBondContact CZ2-OG 3.48Å; Q334-S337 PolarHBondContact O-N 3.06Å; Q334-S337 VanDerWaalsContact O-N 3.13Å; Q334-S337 PolarHBondContact O-OG 3.03Å; Q334-S337 VanDerWaalsContact O-OG 3.05Å |
| 338 | S | 79.1 | Confident | 88.5 | Confident | 34 Ų | 34 | 46 Ų | 46 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -73.9 | 152.2 | 178.7 | -60.2 | 0 | 0 | 0 | 0 | 112 | Q334 P340 | Q334-S338 PolarHBondContact O-N 3Å; Q334-S338 PolarHBondContact O-OG 3.26Å; S338-P340 CarbonylContact O-C 3.59Å; S338-P340 VanDerWaalsContact O-C 3.27Å; S338-P340 VanDerWaalsContact O-O 3.14Å |
| 339 | T | 71.6 | Confident | 88.6 | Confident | 132 Ų | 132 | 49.3 Ų | 49.3 | 81% | 0.81 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -84.1 | 136.1 | 177.2 | 40.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 340 | P | 77.8 | Confident | 88.7 | Confident | 121 Ų | 121 | 50.9 Ų | 50.9 | 79% | 0.786 | 29% | 0.29 | S | S | * | . | S | Bend | cis | -73.6 | 138.7 | -0.6 | 31 | -34.7 | 0 | 0 | 0 | 113.1 | S338 M342 | S338-P340 CarbonylContact O-C 3.59Å; S338-P340 VanDerWaalsContact O-C 3.27Å; S338-P340 VanDerWaalsContact O-O 3.14Å; P340-M342 PolarHBondContact O-N 3.14Å |
| 341 | I | 80.1 | Confident | 88.8 | Confident | 111 Ų | 111 | 48.9 Ų | 48.9 | 57% | 0.569 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 121.2 | -178.7 | -61.3 | 171.4 | 0 | 0 | 0 | 109.5 | ||
| 342 | M | 87.5 | Confident | 89 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 143 | 177.6 | -65.3 | 178.7 | 68.7 | 0 | 0 | 112 | F336 P340 D346 K347 C350 | F336-M342 HydrophobicContact CD1-SD 3.72Å; F336-M342 HydrophobicContact CE1-CE 4.43Å; F336-M342 HydrophobicContact CE1-SD 4.11Å; P340-M342 PolarHBondContact O-N 3.14Å; M342-D346 HydrophobicContact CB-CB 4.42Å; M342-D346 HydrophobicContact CE-CB 3.8Å; M342-K347 HydrophobicContact CB-CG 3.87Å; M342-K347 WeakPolarHBondContact O-CE 3.33Å; M342-C350 HydrophobicContact CE-CB 4.19Å |
| 343 | S | 91.5 | Very high | 89 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 157.2 | 173.1 | 79.4 | 0 | 0 | 0 | 0 | 111.1 | D345 D346 K347 | S343-D345 PolarHBondContact O-N 2.9Å; S343-D346 WeakPolarHBondContact CB-OD2 3.39Å; S343-D346 PolarHBondContact N-OD2 3.25Å; S343-D346 PolarHBondContact O-N 3.35Å; S343-D346 VanDerWaalsContact O-N 3.16Å; S343-D346 PolarHBondContact OG-N 2.92Å; S343-D346 PolarHBondContact OG-OD2 2.97Å; S343-K347 WeakPolarHBondContact O-CG 3.34Å; S343-K347 PolarHBondContact O-N 3.01Å |
| 344 | P | 92.9 | Very high | 89.1 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.9 | -36.6 | 175.5 | -26.3 | 35.4 | 0 | 0 | 0 | 113.3 | K347 I348 C404 L408 | P344-K347 PolarHBondContact O-N 2.82Å; P344-I348 WeakPolarHBondContact O-CG1 3.43Å; P344-I348 PolarHBondContact O-N 3.4Å; P344-I348 VanDerWaalsContact O-N 3.14Å; P344-C404 HydrophobicContact CB-CB 4.06Å; P344-L408 HydrophobicContact CB-CD2 4.19Å |
| 345 | D | 94.5 | Very high | 89.1 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.6 | -46 | 177.1 | -73.2 | -67.4 | 0 | 0 | 0 | 111.1 | S343 K347 I348 Q349 K409 Q410 T413 | S343-D345 PolarHBondContact O-N 2.9Å; D345-K347 PolarHBondContact O-N 3.18Å; D345-I348 PolarHBondContact O-N 3.2Å; D345-Q349 WeakPolarHBondContact O-CG 3.49Å; D345-Q349 PolarHBondContact O-N 2.97Å; D345-Q349 VanDerWaalsContact O-N 3.08Å; D345-K409 PolarHBondContact OD1-N 2.91Å; D345-K409 PolarHBondContact OD2-N 3.36Å; D345-K409 VanDerWaalsContact OD2-N 3.1Å; D345-Q410 PolarHBondContact OD1-N 3.25Å; D345-T413 HydrophobicContact CB-CG2 4.02Å; D345-T413 WeakPolarHBondContact OD1-CB 3.42Å; D345-T413 PolarHBondContact OD1-OG1 3.49Å |
| 346 | D | 93.2 | Very high | 89 | Confident | 74 Ų | 74 | 55 Ų | 55 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 178.5 | -55.4 | -41.8 | 0 | 0 | 0 | 112.1 | M342 S343 Q349 C350 | M342-D346 HydrophobicContact CB-CB 4.42Å; M342-D346 HydrophobicContact CE-CB 3.8Å; S343-D346 WeakPolarHBondContact CB-OD2 3.39Å; S343-D346 PolarHBondContact N-OD2 3.25Å; S343-D346 PolarHBondContact O-N 3.35Å; S343-D346 VanDerWaalsContact O-N 3.16Å; S343-D346 PolarHBondContact OG-N 2.92Å; S343-D346 PolarHBondContact OG-OD2 2.97Å; D346-Q349 PolarHBondContact O-N 3.37Å; D346-C350 WeakPolarHBondContact O-CB 3.27Å; D346-C350 PolarHBondContact O-N 3.4Å |
| 347 | K | 94.1 | Very high | 89.1 | Confident | 23 Ų | 23 | 60 Ų | 60 | 10% | 0.1 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 175.8 | -71.4 | -178.5 | -178.1 | -168.3 | 0 | 111.3 | F336 M342 S343 P344 D345 C350 L351 | F336-K347 HydrophobicContact CB-CD 4.25Å; F336-K347 HydrophobicContact CD1-CD 4.43Å; F336-K347 HydrophobicContact CD1-CG 3.89Å; F336-K347 HydrophobicContact CE1-CG 4.32Å; F336-K347 HydrophobicContact CG-CD 4.32Å; F336-K347 HydrophobicContact CG-CG 4.26Å; F336-K347 WeakPolarHBondContact O-CE 3.26Å; F336-K347 PolarHBondContact O-NZ 3.46Å; M342-K347 HydrophobicContact CB-CG 3.87Å; M342-K347 WeakPolarHBondContact O-CE 3.33Å; S343-K347 WeakPolarHBondContact O-CG 3.34Å; S343-K347 PolarHBondContact O-N 3.01Å; P344-K347 PolarHBondContact O-N 2.82Å; D345-K347 PolarHBondContact O-N 3.18Å; K347-C350 PolarHBondContact O-N 3.4Å; K347-L351 WeakPolarHBondContact O-CB 3.48Å; K347-L351 WeakPolarHBondContact O-CG 3.25Å; K347-L351 PolarHBondContact O-N 2.81Å |
| 348 | I | 95.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 177.8 | -70 | -56.3 | 0 | 0 | 0 | 111.5 | P344 D345 L351 H352 V401 C404 L408 A416 A417 L420 | P344-I348 WeakPolarHBondContact O-CG1 3.43Å; P344-I348 PolarHBondContact O-N 3.4Å; P344-I348 VanDerWaalsContact O-N 3.14Å; D345-I348 PolarHBondContact O-N 3.2Å; I348-L351 HydrophobicContact CD1-CD1 4.48Å; I348-L351 PolarHBondContact O-N 2.91Å; I348-H352 VanDerWaalsContact O-CB 3.25Å; I348-H352 WeakPolarHBondContact O-CB 3.3Å; I348-H352 PolarHBondContact O-N 3.49Å; I348-V401 HydrophobicContact CD1-CB 4.18Å; I348-V401 HydrophobicContact CD1-CG1 3.92Å; I348-V401 HydrophobicContact CD1-CG2 4.17Å; I348-C404 HydrophobicContact CD1-CB 3.95Å; I348-C404 HydrophobicContact CG1-CB 3.92Å; I348-L408 HydrophobicContact CB-CD2 4.32Å; I348-L408 HydrophobicContact CG1-CD1 4.3Å; I348-L408 HydrophobicContact CG1-CD2 3.76Å; I348-A416 HydrophobicContact CG2-CB 4.14Å; I348-A417 HydrophobicContact CD1-CB 4.44Å; I348-A417 HydrophobicContact CG2-CB 4.12Å; I348-L420 HydrophobicContact CD1-CD1 4.42Å; I348-L420 HydrophobicContact CG2-CD1 4.14Å |
| 349 | Q | 94.6 | Very high | 89.7 | Confident | 93 Ų | 93 | 57 Ų | 57 | 44% | 0.435 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 177.2 | -71.6 | -178.1 | -2.4 | 0 | 0 | 112.4 | D345 D346 H352 K353 T413 | D345-Q349 WeakPolarHBondContact O-CG 3.49Å; D345-Q349 PolarHBondContact O-N 2.97Å; D345-Q349 VanDerWaalsContact O-N 3.08Å; D346-Q349 PolarHBondContact O-N 3.37Å; Q349-H352 PolarHBondContact O-N 3.46Å; Q349-K353 PolarHBondContact O-N 2.93Å; Q349-K353 VanDerWaalsContact O-N 3.1Å; Q349-T413 HydrophobicContact CG-CG2 3.96Å |
| 350 | C | 93.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 22% | 0.223 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 174.8 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | F336 M342 D346 K347 H352 K353 D354 | F336-C350 HydrophobicContact CE1-CB 4.31Å; M342-C350 HydrophobicContact CE-CB 4.19Å; D346-C350 WeakPolarHBondContact O-CB 3.27Å; D346-C350 PolarHBondContact O-N 3.4Å; K347-C350 PolarHBondContact O-N 3.4Å; C350-H352 VanDerWaalsContact C-N 3.35Å; C350-H352 PolarHBondContact O-N 3.35Å; C350-K353 PolarHBondContact O-N 2.9Å; C350-D354 PolarHBondContact O-N 3.06Å; C350-D354 VanDerWaalsContact O-N 3.09Å |
| 351 | L | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.3 | -78.7 | 167.2 | 0 | 0 | 0 | 112.9 | Y332 F336 K347 I348 K353 D354 I355 I397 V400 V401 L420 | Y332-L351 HydrophobicContact CE1-CD2 3.66Å; F336-L351 HydrophobicContact CE2-CD1 4.47Å; F336-L351 HydrophobicContact CE2-CD2 4.31Å; F336-L351 HydrophobicContact CE2-CG 4.3Å; F336-L351 HydrophobicContact CZ-CD1 4.5Å; F336-L351 HydrophobicContact CZ-CD2 4.28Å; F336-L351 HydrophobicContact CZ-CG 4Å; K347-L351 WeakPolarHBondContact O-CB 3.48Å; K347-L351 WeakPolarHBondContact O-CG 3.25Å; K347-L351 PolarHBondContact O-N 2.81Å; I348-L351 HydrophobicContact CD1-CD1 4.48Å; I348-L351 PolarHBondContact O-N 2.91Å; L351-K353 VanDerWaalsContact C-N 3.32Å; L351-K353 PolarHBondContact O-N 2.81Å; L351-D354 PolarHBondContact O-N 3.3Å; L351-I355 WeakPolarHBondContact O-CA 3.39Å; L351-I355 WeakPolarHBondContact O-CB 3.5Å; L351-I355 PolarHBondContact O-N 3.25Å; L351-I397 HydrophobicContact CD2-CG2 4.02Å; L351-V400 HydrophobicContact CD1-CB 4.33Å; L351-V400 HydrophobicContact CD1-CG1 3.71Å; L351-V401 HydrophobicContact CD1-CG2 4Å; L351-L420 HydrophobicContact CB-CD1 4Å |
| 352 | H | 94.3 | Very high | 90.9 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 34% | 0.343 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.4 | -41 | 179.3 | -175.4 | -92.6 | 0 | 0 | 0 | 111.8 | I348 Q349 C350 I355 A416 E419 L420 | I348-H352 VanDerWaalsContact O-CB 3.25Å; I348-H352 WeakPolarHBondContact O-CB 3.3Å; I348-H352 PolarHBondContact O-N 3.49Å; Q349-H352 PolarHBondContact O-N 3.46Å; C350-H352 VanDerWaalsContact C-N 3.35Å; C350-H352 PolarHBondContact O-N 3.35Å; H352-I355 WeakPolarHBondContact O-CG2 3.22Å; H352-A416 HydrophobicContact CB-CB 4.41Å; H352-E419 IonicContact CD2-OE2 2.67Å; H352-E419 IonicContact CE1-OE2 3.59Å; H352-E419 IonicContact NE2-OE2 2.9Å; H352-E419 PolarHBondContact NE2-OE2 3.45Å; H352-L420 HydrophobicContact CB-CD1 4.15Å; H352-L420 HydrophobicContact CB-CD2 4.34Å; H352-L420 HydrophobicContact CB-CG 4.21Å |
| 353 | K | 92.9 | Very high | 90.4 | Very high | 178 Ų | 178 | 43.3 Ų | 43.3 | 77% | 0.774 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66.3 | -41 | 175.2 | -173.8 | -178.1 | 175.6 | -173.2 | 0 | 112.7 | Q349 C350 L351 | Q349-K353 PolarHBondContact O-N 2.93Å; Q349-K353 VanDerWaalsContact O-N 3.1Å; C350-K353 PolarHBondContact O-N 2.9Å; L351-K353 VanDerWaalsContact C-N 3.32Å; L351-K353 PolarHBondContact O-N 2.81Å |
| 354 | D | 92.4 | Very high | 89.3 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -94.1 | -2.1 | -171.5 | -60.2 | -23.1 | 0 | 0 | 0 | 113.6 | Y332 C350 L351 G356 H357 C358 | Y332-D354 HydrophobicContact CE2-CB 4.23Å; Y332-D354 WeakPolarHBondContact CE2-OD2 3.48Å; Y332-D354 PolarHBondContact OH-OD2 3.46Å; C350-D354 PolarHBondContact O-N 3.06Å; C350-D354 VanDerWaalsContact O-N 3.09Å; L351-D354 PolarHBondContact O-N 3.3Å; D354-G356 VanDerWaalsContact C-N 3.27Å; D354-G356 PolarHBondContact O-N 3.3Å; D354-G356 VanDerWaalsContact O-N 3.14Å; D354-H357 WeakPolarHBondContact O-CA 3.17Å; D354-H357 WeakPolarHBondContact O-CB 3.38Å; D354-H357 PolarHBondContact O-N 2.95Å; D354-C358 PolarHBondContact O-N 2.86Å; D354-C358 PolarHBondContact O-SG 3.27Å |
| 355 | I | 91 | Very high | 87.6 | Confident | 10 Ų | 10 | 47.1 Ų | 47.1 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.4 | -36.7 | -169.4 | -166.8 | 59.7 | 0 | 0 | 0 | 113.8 | L351 H352 H357 C358 I359 I397 L420 K423 L424 | L351-I355 WeakPolarHBondContact O-CA 3.39Å; L351-I355 WeakPolarHBondContact O-CB 3.5Å; L351-I355 PolarHBondContact O-N 3.25Å; H352-I355 WeakPolarHBondContact O-CG2 3.22Å; I355-H357 VanDerWaalsContact C-N 3.31Å; I355-H357 PolarHBondContact O-N 3.46Å; I355-C358 HydrophobicContact CD1-CB 4.4Å; I355-C358 PolarHBondContact O-N 3.4Å; I355-I359 HydrophobicContact CD1-CG1 4.46Å; I355-I359 HydrophobicContact CG1-CD1 3.98Å; I355-I359 HydrophobicContact CG1-CG1 4.37Å; I355-I359 WeakPolarHBondContact O-CG1 3.45Å; I355-I359 PolarHBondContact O-N 3.4Å; I355-I397 HydrophobicContact CD1-CG2 4.35Å; I355-L420 HydrophobicContact CB-CD2 3.54Å; I355-L420 HydrophobicContact CD1-CD2 3.65Å; I355-L420 HydrophobicContact CG1-CD2 3.45Å; I355-L420 VanDerWaalsContact CG1-CD2 3.45Å; I355-L420 HydrophobicContact CG2-CD2 4.05Å; I355-K423 HydrophobicContact CG1-CD 4.48Å; I355-K423 HydrophobicContact CG2-CD 3.93Å; I355-L424 HydrophobicContact CD1-CD1 4.15Å; I355-L424 HydrophobicContact CD1-CD2 3.75Å; I355-L424 HydrophobicContact CD1-CG 3.98Å |
| 356 | G | 87.1 | Confident | 85.2 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D354 K360 | D354-G356 VanDerWaalsContact C-N 3.27Å; D354-G356 PolarHBondContact O-N 3.3Å; D354-G356 VanDerWaalsContact O-N 3.14Å; G356-K360 PolarHBondContact O-N 2.88Å; G356-K360 VanDerWaalsContact O-N 3.13Å |
| 357 | H | 88.8 | Confident | 82.7 | Confident | 105 Ų | 105 | 58.3 Ų | 58.3 | 49% | 0.486 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.2 | -44.4 | 174.9 | -176.3 | 64.7 | 0 | 0 | 0 | 111.6 | F328 D354 I355 I359 K360 V361 | F328-H357 AromaticContact CD2-NE2 3.94Å; F328-H357 AromaticContact CE2-CD2 3.58Å; F328-H357 AromaticContact CE2-NE2 3.74Å; D354-H357 WeakPolarHBondContact O-CA 3.17Å; D354-H357 WeakPolarHBondContact O-CB 3.38Å; D354-H357 PolarHBondContact O-N 2.95Å; I355-H357 VanDerWaalsContact C-N 3.31Å; I355-H357 PolarHBondContact O-N 3.46Å; H357-I359 VanDerWaalsContact C-N 3.33Å; H357-I359 PolarHBondContact O-N 3.35Å; H357-K360 PolarHBondContact O-N 3.08Å; H357-V361 VanDerWaalsContact CE1-CG2 3.48Å; H357-V361 WeakPolarHBondContact CE1-CG2 3.49Å; H357-V361 WeakPolarHBondContact O-CG2 3.4Å; H357-V361 PolarHBondContact O-N 3.28Å |
| 358 | C | 89.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.5 | -47.2 | 176 | -66.5 | 0 | 0 | 0 | 0 | 111.7 | D354 I355 V361 L362 | D354-C358 PolarHBondContact O-N 2.86Å; D354-C358 PolarHBondContact O-SG 3.27Å; I355-C358 HydrophobicContact CD1-CB 4.4Å; I355-C358 PolarHBondContact O-N 3.4Å; C358-V361 PolarHBondContact O-N 3.23Å; C358-L362 VanDerWaalsContact O-CB 3.26Å; C358-L362 WeakPolarHBondContact O-CB 3.46Å; C358-L362 WeakPolarHBondContact O-CD1 3.29Å; C358-L362 WeakPolarHBondContact O-CG 3.32Å; C358-L362 PolarHBondContact O-N 3.37Å |
| 359 | I | 86.6 | Confident | 77.5 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 178.3 | -69.7 | 167.4 | 0 | 0 | 0 | 109.8 | I355 H357 V361 L362 T363 L394 K423 L424 Y427 | I355-I359 HydrophobicContact CD1-CG1 4.46Å; I355-I359 HydrophobicContact CG1-CD1 3.98Å; I355-I359 HydrophobicContact CG1-CG1 4.37Å; I355-I359 WeakPolarHBondContact O-CG1 3.45Å; I355-I359 PolarHBondContact O-N 3.4Å; H357-I359 VanDerWaalsContact C-N 3.33Å; H357-I359 PolarHBondContact O-N 3.35Å; I359-V361 VanDerWaalsContact C-N 3.34Å; I359-V361 PolarHBondContact O-N 3.28Å; I359-L362 PolarHBondContact O-N 3.04Å; I359-T363 HydrophobicContact CG2-CG2 4.09Å; I359-T363 WeakPolarHBondContact O-CB 3.48Å; I359-T363 WeakPolarHBondContact O-CG2 3.38Å; I359-T363 PolarHBondContact O-N 3.33Å; I359-T363 PolarHBondContact O-OG1 3.47Å; I359-L394 HydrophobicContact CG1-CD2 4.12Å; I359-K423 HydrophobicContact CD1-CD 4.22Å; I359-K423 HydrophobicContact CD1-CG 3.85Å; I359-L424 HydrophobicContact CD1-CD2 4.4Å; I359-L424 HydrophobicContact CG1-CD2 4.1Å; I359-Y427 HydrophobicContact CD1-CD2 4.12Å; I359-Y427 HydrophobicContact CD1-CE2 4Å; I359-Y427 HydrophobicContact CG2-CD2 3.91Å; I359-Y427 HydrophobicContact CG2-CE2 3.88Å; I359-Y427 HydrophobicContact CG2-CG 4.26Å |
| 360 | K | 84.2 | Confident | 75 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 32% | 0.317 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.8 | -45.2 | -179 | -174.3 | 175.9 | -173.6 | 156.5 | 0 | 113.2 | G356 H357 Q364 L368 | G356-K360 PolarHBondContact O-N 2.88Å; G356-K360 VanDerWaalsContact O-N 3.13Å; H357-K360 PolarHBondContact O-N 3.08Å; K360-Q364 PolarHBondContact O-N 3Å; K360-L368 WeakPolarHBondContact CD-O 3.45Å; K360-L368 VanDerWaalsContact CE-O 3.31Å; K360-L368 WeakPolarHBondContact CE-O 3.42Å; K360-L368 PolarHBondContact NZ-O 3.37Å |
| 361 | V | 86.4 | Confident | 72.4 | Confident | 34 Ų | 34 | 71 Ų | 71 | 21% | 0.206 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.5 | -41.7 | -178.6 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | F328 H357 C358 I359 | F328-V361 HydrophobicContact CB-CG1 3.83Å; F328-V361 HydrophobicContact CD1-CB 4.3Å; F328-V361 HydrophobicContact CD1-CG1 3.77Å; F328-V361 HydrophobicContact CG-CG1 3.83Å; H357-V361 VanDerWaalsContact CE1-CG2 3.48Å; H357-V361 WeakPolarHBondContact CE1-CG2 3.49Å; H357-V361 WeakPolarHBondContact O-CG2 3.4Å; H357-V361 PolarHBondContact O-N 3.28Å; C358-V361 PolarHBondContact O-N 3.23Å; I359-V361 VanDerWaalsContact C-N 3.34Å; I359-V361 PolarHBondContact O-N 3.28Å |
| 362 | L | 84.4 | Confident | 69.9 | Low | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -80.6 | -28.5 | -174.4 | -65.4 | 172.9 | 0 | 0 | 0 | 113.1 | Y324 C358 I359 L394 I397 | Y324-L362 HydrophobicContact CD2-CD2 3.31Å; Y324-L362 HydrophobicContact CE2-CD2 3.46Å; Y324-L362 VanDerWaalsContact CE2-CD2 3.46Å; Y324-L362 HydrophobicContact CG-CD2 3.91Å; C358-L362 VanDerWaalsContact O-CB 3.26Å; C358-L362 WeakPolarHBondContact O-CB 3.46Å; C358-L362 WeakPolarHBondContact O-CD1 3.29Å; C358-L362 WeakPolarHBondContact O-CG 3.32Å; C358-L362 PolarHBondContact O-N 3.37Å; I359-L362 PolarHBondContact O-N 3.04Å; L362-L394 HydrophobicContact CB-CD2 3.85Å; L362-L394 HydrophobicContact CD1-CD2 3.93Å; L362-I397 HydrophobicContact CD1-CD1 4.23Å; L362-I397 HydrophobicContact CD1-CG1 3.46Å; L362-I397 VanDerWaalsContact CD1-CG1 3.46Å |
| 363 | T | 76.4 | Confident | 67.5 | Low | 22 Ų | 22 | 77.9 Ų | 77.9 | 14% | 0.135 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -89.6 | -11.5 | 176.4 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | I359 A365 L387 L394 | I359-T363 HydrophobicContact CG2-CG2 4.09Å; I359-T363 WeakPolarHBondContact O-CB 3.48Å; I359-T363 WeakPolarHBondContact O-CG2 3.38Å; I359-T363 PolarHBondContact O-N 3.33Å; I359-T363 PolarHBondContact O-OG1 3.47Å; T363-A365 PolarHBondContact O-N 2.85Å; T363-A365 WeakPolarHBondContact OG1-CB 3.33Å; T363-A365 PolarHBondContact OG1-N 3.41Å; T363-L387 HydrophobicContact CG2-CD1 4.31Å; T363-L394 HydrophobicContact CG2-CD1 4.02Å; T363-L394 HydrophobicContact CG2-CD2 4.42Å; T363-L394 HydrophobicContact CG2-CG 4.35Å |
| 364 | Q | 69 | Low | 65.2 | Low | 136 Ų | 136 | 78.4 Ų | 78.4 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | trans | 53.2 | 20.5 | -172.8 | -56.7 | -178 | 0.1 | 0 | 0 | 113.7 | K360 Q366 | K360-Q364 PolarHBondContact O-N 3Å; Q364-Q366 PolarHBondContact O-N 3.2Å; Q364-Q366 VanDerWaalsContact O-N 3.16Å | ||
| 365 | A | 56.9 | Low | 62.5 | Low | 36 Ų | 36 | 84.9 Ų | 84.9 | 30% | 0.298 | 43% | 0.432 | S | S | . | . | trans | -67.9 | 113 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T363 D367 L368 | T363-A365 PolarHBondContact O-N 2.85Å; T363-A365 WeakPolarHBondContact OG1-CB 3.33Å; T363-A365 PolarHBondContact OG1-N 3.41Å; A365-D367 PolarHBondContact O-N 3.02Å; A365-L368 HydrophobicContact CB-CD1 4.38Å | ||
| 366 | Q | 43.5 | Very low | 60.1 | Low | 183 Ų | 183 | 88 Ų | 88 | 86% | 0.855 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -15.6 | -177.9 | -72.3 | -178.7 | -10.7 | 0 | 0 | 113.3 | Q364 | Q364-Q366 PolarHBondContact O-N 3.2Å; Q364-Q366 VanDerWaalsContact O-N 3.16Å |
| 367 | D | 41.8 | Very low | 57.9 | Low | 137 Ų | 137 | 95.2 Ų | 95.2 | 73% | 0.733 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 12.3 | -167.2 | -69.6 | -25.5 | 0 | 0 | 0 | 116.6 | A365 | A365-D367 PolarHBondContact O-N 3.02Š|
| 368 | L | 44.3 | Very low | 55.3 | Low | 53 Ų | 53 | 99.9 Ų | 99.9 | 28% | 0.277 | 49% | 0.49 | S | S | . | . | trans | -104.8 | 97.3 | 174.8 | -68.5 | 166.9 | 0 | 0 | 0 | 110.2 | K360 A365 Y427 | K360-L368 WeakPolarHBondContact CD-O 3.45Å; K360-L368 VanDerWaalsContact CE-O 3.31Å; K360-L368 WeakPolarHBondContact CE-O 3.42Å; K360-L368 PolarHBondContact NZ-O 3.37Å; A365-L368 HydrophobicContact CB-CD1 4.38Å; L368-Y427 HydrophobicContact CD1-CE1 4.38Å | ||
| 369 | T | 35.7 | Very low | 52.7 | Low | 64 Ų | 64 | 106.9 Ų | 106.9 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | trans | -87.8 | 148.5 | 168.6 | 62 | 0 | 0 | 0 | 0 | 110.7 | E371 E372 | T369-E371 PolarHBondContact O-N 3.33Å; T369-E371 VanDerWaalsContact O-N 3.11Å; T369-E372 PolarHBondContact O-N 3.1Å; T369-E372 PolarHBondContact OG1-OE2 2.86Å | ||
| 370 | P | 42.3 | Very low | 50.2 | Low | 114 Ų | 114 | 112 Ų | 112 | 74% | 0.74 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -11.7 | -179.1 | -18.4 | 31.2 | 0 | 0 | 0 | 114.6 | ||
| 371 | E | 39.4 | Very low | 48.2 | Very low | 184 Ų | 184 | 114.4 Ų | 114.4 | 86% | 0.86 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -1.4 | -174.3 | -65.8 | -176.6 | 170.4 | 0 | 0 | 113.6 | T369 | T369-E371 PolarHBondContact O-N 3.33Å; T369-E371 VanDerWaalsContact O-N 3.11Å |
| 372 | E | 41.4 | Very low | 45.9 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 43% | 0.425 | 58% | 0.584 | S | S | . | * | trans | -104.9 | 0.5 | -178.7 | -71.2 | 177 | 141.6 | 0 | 0 | 114.1 | T369 E374 K375 E376 | T369-E372 PolarHBondContact O-N 3.1Å; T369-E372 PolarHBondContact OG1-OE2 2.86Å; E372-E374 PolarHBondContact O-N 3.32Å; E372-E374 VanDerWaalsContact O-N 3.08Å; E372-K375 PolarHBondContact O-N 3.06Å; E372-K375 VanDerWaalsContact O-N 3.16Å; E372-E376 PolarHBondContact O-N 3.33Å | ||
| 373 | E | 44.6 | Very low | 43.7 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 60% | 0.603 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -21.1 | 178.3 | -73.2 | -165.4 | 151.7 | 0 | 0 | 113.4 | K423 | E373-K423 IonicContact OE1-NZ 2.8Å; E373-K423 PolarHBondContact OE1-NZ 3.02Å; E373-K423 IonicContact OE2-NZ 3.58Å |
| 374 | E | 43.3 | Very low | 42.3 | Very low | 189 Ų | 189 | 126 Ų | 126 | 88% | 0.883 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -7.4 | 179.6 | -70.5 | -172.7 | 167 | 0 | 0 | 115 | E372 | E372-E374 PolarHBondContact O-N 3.32Å; E372-E374 VanDerWaalsContact O-N 3.08Å |
| 375 | K | 36.8 | Very low | 41.6 | Very low | 185 Ų | 185 | 124.2 Ų | 124.2 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -12.9 | -177 | -74.7 | -176.8 | -178.7 | 171.7 | 0 | 115.1 | E372 | E372-K375 PolarHBondContact O-N 3.06Å; E372-K375 VanDerWaalsContact O-N 3.16Å |
| 376 | E | 40.2 | Very low | 42 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 35% | 0.346 | 64% | 0.644 | S | S | . | * | trans | -92.1 | 16 | -177.7 | -72 | -149.5 | 134.6 | 0 | 0 | 115.7 | E372 K378 K379 | E372-E376 PolarHBondContact O-N 3.33Å; E376-K378 PolarHBondContact O-N 3.03Å; E376-K379 PolarHBondContact O-N 2.61Å; E376-K379 IonicContact OE1-NZ 3.7Å; E376-K379 PolarHBondContact OE1-NZ 3.32Å | ||
| 377 | E | 40.6 | Very low | 43 | Very low | 185 Ų | 185 | 119.5 Ų | 119.5 | 86% | 0.864 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -0.7 | 168.7 | -75.9 | -169 | 155.2 | 0 | 0 | 114.1 | ||
| 378 | K | 34.6 | Very low | 44.2 | Very low | 203 Ų | 203 | 116.4 Ų | 116.4 | 88% | 0.883 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 2.4 | -178.7 | -70.3 | -171.7 | 179.2 | 180 | 0 | 115.8 | E376 | E376-K378 PolarHBondContact O-N 3.03Š|
| 379 | K | 34.1 | Very low | 45.2 | Very low | 147 Ų | 147 | 117.7 Ų | 117.7 | 64% | 0.639 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -95.8 | 130.3 | 166.1 | -78.7 | -177.5 | -169 | 155.6 | 0 | 109.2 | E376 | E376-K379 PolarHBondContact O-N 2.61Å; E376-K379 IonicContact OE1-NZ 3.7Å; E376-K379 PolarHBondContact OE1-NZ 3.32Å |
| 380 | D | 33.6 | Very low | 46.5 | Very low | 112 Ų | 112 | 119.3 Ų | 119.3 | 60% | 0.599 | 62% | 0.619 | S | S | * | * | trans | -48 | 122.8 | -179.2 | -158 | 6.3 | 0 | 0 | 0 | 110.5 | T382 | D380-T382 WeakPolarHBondContact CB-OG1 3.37Å; D380-T382 PolarHBondContact O-N 3.31Å; D380-T382 PolarHBondContact OD2-OG1 3.39Å | ||
| 381 | P | 43.8 | Very low | 47.7 | Very low | 123 Ų | 123 | 118.8 Ų | 118.8 | 80% | 0.799 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -63.2 | 3.3 | -179.7 | 14.6 | -20.2 | 0 | 0 | 0 | 114 | L383 | P381-L383 VanDerWaalsContact C-N 3.32Å; P381-L383 PolarHBondContact O-N 2.61Å |
| 382 | T | 37.2 | Very low | 49.5 | Very low | 78 Ų | 78 | 110.2 Ų | 110.2 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -78 | -7.3 | -179 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | D380 | D380-T382 WeakPolarHBondContact CB-OG1 3.37Å; D380-T382 PolarHBondContact O-N 3.31Å; D380-T382 PolarHBondContact OD2-OG1 3.39Å |
| 383 | L | 38.7 | Very low | 51.6 | Low | 154 Ų | 154 | 105.9 Ų | 105.9 | 81% | 0.806 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -116.2 | 15.1 | -168.8 | -111.8 | 141.1 | 0 | 0 | 0 | 116.8 | P381 | P381-L383 VanDerWaalsContact C-N 3.32Å; P381-L383 PolarHBondContact O-N 2.61Å |
| 384 | C | 47 | Very low | 53.7 | Low | 70 Ų | 70 | 99.8 Ų | 99.8 | 47% | 0.473 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -88.1 | 103.7 | 159.9 | -88.5 | 0 | 0 | 0 | 0 | 108.9 | R386 Y427 | C384-R386 PolarHBondContact O-N 3.24Å; C384-Y427 HydrophobicContact CB-CD1 4.34Å; C384-Y427 HydrophobicContact CB-CE1 4.21Å |
| 385 | A | 54.2 | Low | 56 | Low | 98 Ų | 98 | 91 Ų | 91 | 81% | 0.81 | 48% | 0.476 | S | S | * | . | trans | -59.6 | 111.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L387 | A385-L387 PolarHBondContact O-N 3.39Š| ||
| 386 | R | 65.6 | Low | 58.7 | Low | 65 Ų | 65 | 82.4 Ų | 82.4 | 25% | 0.245 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 131.2 | 172.6 | -72.4 | -179.2 | 174.4 | 160.4 | 4.4 | 108.5 | C384 T428 S430 M466 | C384-R386 PolarHBondContact O-N 3.24Å; R386-T428 VanDerWaalsContact CD-O 3.32Å; R386-T428 WeakPolarHBondContact CD-O 3.46Å; R386-T428 PolarHBondContact NE-O 3.16Å; R386-S430 PolarHBondContact NH1-OG 3.25Å; R386-M466 PolarHBondContact NH1-O 3.32Å; R386-M466 PolarHBondContact NH2-O 3.49Å |
| 387 | L | 64.1 | Low | 61.3 | Low | 54 Ų | 54 | 78.9 Ų | 78.9 | 28% | 0.283 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -66 | 146.9 | 175.5 | -73.2 | 169.1 | 0 | 0 | 0 | 109.5 | T363 A385 H391 | T363-L387 HydrophobicContact CG2-CD1 4.31Å; A385-L387 PolarHBondContact O-N 3.39Å; L387-H391 HydrophobicContact CB-CB 4.39Å |
| 388 | P | 66.1 | Low | 63.8 | Low | 72 Ų | 72 | 70 Ų | 70 | 47% | 0.468 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 151 | 170 | -24.2 | 33.3 | 0 | 0 | 0 | 111 | E390 H391 D392 | P388-E390 PolarHBondContact O-N 2.9Å; P388-H391 CarbonylContact O-C 3.59Å; P388-H391 PolarHBondContact O-N 2.56Å; P388-D392 PolarHBondContact O-N 3.02Å |
| 389 | P | 65.8 | Low | 66.6 | Low | 81 Ų | 81 | 60.8 Ų | 60.8 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -52.6 | -32.9 | -178.6 | -23 | 29.1 | 0 | 0 | 0 | 114 | H391 T429 | P389-H391 VanDerWaalsContact C-N 3.26Å; P389-H391 PolarHBondContact O-N 3.5Å; P389-T429 HydrophobicContact CB-CG2 4.25Å; P389-T429 HydrophobicContact CG-CG2 4.04Å |
| 390 | E | 63 | Low | 69.5 | Low | 98 Ų | 98 | 53.8 Ų | 53.8 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -71.2 | -18.5 | 179.4 | -62.2 | -173.2 | -164.1 | 0 | 0 | 114.4 | P388 | P388-E390 PolarHBondContact O-N 2.9Š|
| 391 | H | 67.8 | Low | 72.5 | Confident | 103 Ų | 103 | 48.5 Ų | 48.5 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -114.5 | 5.4 | -178.4 | -63.8 | -49.9 | 0 | 0 | 0 | 112.8 | L387 P388 P389 G393 | L387-H391 HydrophobicContact CB-CB 4.39Å; P388-H391 CarbonylContact O-C 3.59Å; P388-H391 PolarHBondContact O-N 2.56Å; P389-H391 VanDerWaalsContact C-N 3.26Å; P389-H391 PolarHBondContact O-N 3.5Å; H391-G393 VanDerWaalsContact C-N 3.29Å; H391-G393 PolarHBondContact O-N 3.34Å |
| 392 | D | 77.9 | Confident | 74.9 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | trans | -76.7 | 78.1 | 178.6 | -170.2 | -2.9 | 0 | 0 | 0 | 111.6 | L125 P388 L394 I395 T428 T429 | L125-D392 VanDerWaalsContact CD2-C 3.47Å; L125-D392 WeakPolarHBondContact CD2-O 3.33Å; P388-D392 PolarHBondContact O-N 3.02Å; D392-L394 PolarHBondContact O-N 3.04Å; D392-L394 VanDerWaalsContact O-N 3.1Å; D392-L394 VanDerWaalsContact OD1-CB 3.28Å; D392-L394 WeakPolarHBondContact OD1-CB 3.4Å; D392-L394 PolarHBondContact OD1-N 2.95Å; D392-I395 WeakPolarHBondContact O-CG2 3.35Å; D392-I395 PolarHBondContact O-N 3.21Å; D392-T428 VanDerWaalsContact OD2-CA 3.3Å; D392-T428 WeakPolarHBondContact OD2-CA 3.37Å; D392-T428 WeakPolarHBondContact OD2-CB 3.41Å; D392-T428 PolarHBondContact OD2-OG1 3.27Å; D392-T429 PolarHBondContact OD2-N 2.85Å | ||
| 393 | G | 84.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -25.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H391 I395 L396 | H391-G393 VanDerWaalsContact C-N 3.29Å; H391-G393 PolarHBondContact O-N 3.34Å; G393-I395 VanDerWaalsContact C-N 3.26Å; G393-I395 PolarHBondContact O-N 3.45Å; G393-L396 PolarHBondContact O-N 3.38Å |
| 394 | L | 89.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.9 | -24.5 | -174.2 | -57.2 | 175.9 | 0 | 0 | 0 | 112.3 | I359 L362 T363 D392 L396 I397 I398 L424 Y427 | I359-L394 HydrophobicContact CG1-CD2 4.12Å; L362-L394 HydrophobicContact CB-CD2 3.85Å; L362-L394 HydrophobicContact CD1-CD2 3.93Å; T363-L394 HydrophobicContact CG2-CD1 4.02Å; T363-L394 HydrophobicContact CG2-CD2 4.42Å; T363-L394 HydrophobicContact CG2-CG 4.35Å; D392-L394 PolarHBondContact O-N 3.04Å; D392-L394 VanDerWaalsContact O-N 3.1Å; D392-L394 VanDerWaalsContact OD1-CB 3.28Å; D392-L394 WeakPolarHBondContact OD1-CB 3.4Å; D392-L394 PolarHBondContact OD1-N 2.95Å; L394-L396 PolarHBondContact O-N 3.19Å; L394-L396 VanDerWaalsContact O-N 3.14Å; L394-I397 PolarHBondContact O-N 3.09Å; L394-I398 HydrophobicContact CB-CD1 4.48Å; L394-I398 WeakPolarHBondContact O-CG1 3.49Å; L394-I398 PolarHBondContact O-N 3.28Å; L394-L424 HydrophobicContact CB-CD2 4.22Å; L394-L424 HydrophobicContact CD1-CD2 4.41Å; L394-L424 HydrophobicContact CD2-CD2 3.96Å; L394-L424 HydrophobicContact CG-CD2 4.44Å; L394-Y427 HydrophobicContact CD1-CG 4.37Å |
| 395 | I | 91.4 | Very high | 82.6 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56 | -32.6 | 176.7 | -162.8 | 172.9 | 0 | 0 | 0 | 112.3 | T123 L125 D392 G393 I398 T399 T432 | T123-I395 HydrophobicContact CG2-CD1 3.45Å; T123-I395 VanDerWaalsContact CG2-CD1 3.45Å; L125-I395 HydrophobicContact CD2-CG2 4.1Å; D392-I395 WeakPolarHBondContact O-CG2 3.35Å; D392-I395 PolarHBondContact O-N 3.21Å; G393-I395 VanDerWaalsContact C-N 3.26Å; G393-I395 PolarHBondContact O-N 3.45Å; I395-I398 PolarHBondContact O-N 3.39Å; I395-T399 WeakPolarHBondContact O-CB 3.35Å; I395-T399 PolarHBondContact O-N 2.94Å; I395-T399 PolarHBondContact O-OG1 3.27Å; I395-T432 HydrophobicContact CD1-CG2 4.47Å; I395-T432 HydrophobicContact CG1-CG2 4.16Å |
| 396 | L | 92.8 | Very high | 84.3 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.5 | -39 | 178.9 | -58.4 | 177.6 | 0 | 0 | 0 | 110.9 | L125 E126 W129 F325 L329 G393 L394 V400 | L125-L396 HydrophobicContact CD2-CD1 4.42Å; E126-L396 HydrophobicContact CG-CD2 4Å; W129-L396 HydrophobicContact CB-CD1 4.09Å; W129-L396 HydrophobicContact CB-CD2 4.07Å; W129-L396 HydrophobicContact CD2-CD1 4.35Å; W129-L396 HydrophobicContact CG-CD1 4.04Å; W129-L396 HydrophobicContact CG-CD2 4.11Å; F325-L396 HydrophobicContact CE1-CD1 3.78Å; F325-L396 HydrophobicContact CZ-CD1 4.2Å; L329-L396 HydrophobicContact CD2-CB 4.44Å; L329-L396 HydrophobicContact CD2-CD1 3.41Å; L329-L396 VanDerWaalsContact CD2-CD1 3.41Å; G393-L396 PolarHBondContact O-N 3.38Å; L394-L396 PolarHBondContact O-N 3.19Å; L394-L396 VanDerWaalsContact O-N 3.14Å; L396-V400 WeakPolarHBondContact O-CG2 3.42Å; L396-V400 PolarHBondContact O-N 3.24Å |
| 397 | I | 94.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.9 | -42.2 | 174.4 | -57.1 | -58 | 0 | 0 | 0 | 111.1 | L329 L351 I355 L362 L394 T399 V400 V401 L424 | L329-I397 HydrophobicContact CD1-CD1 4.05Å; L351-I397 HydrophobicContact CD2-CG2 4.02Å; I355-I397 HydrophobicContact CD1-CG2 4.35Å; L362-I397 HydrophobicContact CD1-CD1 4.23Å; L362-I397 HydrophobicContact CD1-CG1 3.46Å; L362-I397 VanDerWaalsContact CD1-CG1 3.46Å; L394-I397 PolarHBondContact O-N 3.09Å; I397-T399 PolarHBondContact O-N 3.22Å; I397-V400 WeakPolarHBondContact O-CB 3.31Å; I397-V400 PolarHBondContact O-N 2.8Å; I397-V401 WeakPolarHBondContact O-CG2 3.44Å; I397-V401 PolarHBondContact O-N 3.37Å; I397-L424 HydrophobicContact CG2-CD1 4.23Å |
| 398 | I | 94.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.5 | -41.5 | 174.7 | -67.3 | 165.3 | 0 | 0 | 0 | 110.2 | L394 I395 V400 V401 T402 L421 L424 T428 T432 R436 I437 | L394-I398 HydrophobicContact CB-CD1 4.48Å; L394-I398 WeakPolarHBondContact O-CG1 3.49Å; L394-I398 PolarHBondContact O-N 3.28Å; I395-I398 PolarHBondContact O-N 3.39Å; I398-V400 VanDerWaalsContact C-N 3.33Å; I398-V400 PolarHBondContact O-N 3.39Å; I398-V401 PolarHBondContact O-N 3.06Å; I398-T402 HydrophobicContact CG2-CG2 4.03Å; I398-T402 WeakPolarHBondContact O-CB 3.38Å; I398-T402 VanDerWaalsContact O-CG2 3.24Å; I398-T402 WeakPolarHBondContact O-CG2 3.34Å; I398-T402 PolarHBondContact O-N 2.67Å; I398-T402 PolarHBondContact O-OG1 3.45Å; I398-L421 HydrophobicContact CG2-CD2 4.37Å; I398-L424 HydrophobicContact CD1-CB 4.34Å; I398-L424 HydrophobicContact CG1-CB 4.12Å; I398-L424 HydrophobicContact CG1-CD1 3.79Å; I398-L424 HydrophobicContact CG1-CG 4.43Å; I398-T428 HydrophobicContact CD1-CG2 4.25Å; I398-T432 HydrophobicContact CD1-CG2 3.71Å; I398-R436 HydrophobicContact CG2-CB 4.25Å; I398-I437 HydrophobicContact CD1-CD1 4.09Å; I398-I437 HydrophobicContact CG2-CD1 4.45Å; I398-I437 HydrophobicContact CG2-CG1 3.88Å |
| 399 | T | 93.7 | Very high | 88.3 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | I395 I397 T402 S403 | I395-T399 WeakPolarHBondContact O-CB 3.35Å; I395-T399 PolarHBondContact O-N 2.94Å; I395-T399 PolarHBondContact O-OG1 3.27Å; I397-T399 PolarHBondContact O-N 3.22Å; T399-T402 WeakPolarHBondContact CA-OG1 3.49Å; T399-T402 PolarHBondContact O-OG1 3.48Å; T399-T402 VanDerWaalsContact O-OG1 3.14Å; T399-S403 VanDerWaalsContact O-CB 3.23Å; T399-S403 WeakPolarHBondContact O-CB 3.3Å; T399-S403 PolarHBondContact O-N 3.11Å; T399-S403 PolarHBondContact O-OG 2.72Å |
| 400 | V | 94.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -50.8 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | W161 L333 F336 L351 L396 I397 I398 T402 S403 C404 | W161-V400 HydrophobicContact CB-CB 4.44Å; W161-V400 HydrophobicContact CB-CG2 4.1Å; W161-V400 HydrophobicContact CD2-CG2 4.47Å; W161-V400 HydrophobicContact CE3-CG2 3.78Å; L333-V400 HydrophobicContact CD2-CG2 3.83Å; F336-V400 HydrophobicContact CD2-CG1 4.37Å; F336-V400 HydrophobicContact CE2-CG1 4.32Å; L351-V400 HydrophobicContact CD1-CB 4.33Å; L351-V400 HydrophobicContact CD1-CG1 3.71Å; L396-V400 WeakPolarHBondContact O-CG2 3.42Å; L396-V400 PolarHBondContact O-N 3.24Å; I397-V400 WeakPolarHBondContact O-CB 3.31Å; I397-V400 PolarHBondContact O-N 2.8Å; I398-V400 VanDerWaalsContact C-N 3.33Å; I398-V400 PolarHBondContact O-N 3.39Å; V400-T402 PolarHBondContact O-N 3.11Å; V400-S403 PolarHBondContact O-N 3.38Å; V400-S403 PolarHBondContact O-OG 3.01Å; V400-C404 PolarHBondContact O-N 2.84Å; V400-C404 PolarHBondContact O-SG 3.17Å |
| 401 | V | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.8 | -53.2 | -179.7 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | I348 L351 I397 I398 S403 C404 I405 A417 L420 L421 | I348-V401 HydrophobicContact CD1-CB 4.18Å; I348-V401 HydrophobicContact CD1-CG1 3.92Å; I348-V401 HydrophobicContact CD1-CG2 4.17Å; L351-V401 HydrophobicContact CD1-CG2 4Å; I397-V401 WeakPolarHBondContact O-CG2 3.44Å; I397-V401 PolarHBondContact O-N 3.37Å; I398-V401 PolarHBondContact O-N 3.06Å; V401-S403 VanDerWaalsContact C-N 3.29Å; V401-S403 PolarHBondContact O-N 3.28Å; V401-C404 WeakPolarHBondContact O-CB 3.26Å; V401-C404 PolarHBondContact O-N 2.87Å; V401-I405 HydrophobicContact CG1-CD1 4.49Å; V401-I405 WeakPolarHBondContact O-CG1 3.38Å; V401-I405 PolarHBondContact O-N 3.39Å; V401-A417 HydrophobicContact CG1-CB 4.38Å; V401-L420 HydrophobicContact CG2-CD1 4.06Å; V401-L421 HydrophobicContact CB-CD2 4.43Å; V401-L421 HydrophobicContact CG1-CD2 3.89Å; V401-L421 HydrophobicContact CG1-CG 4.01Å |
| 402 | T | 95.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 6% | 0.055 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -33.8 | -177.7 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | I398 T399 V400 C404 I405 L421 R436 Y440 | I398-T402 HydrophobicContact CG2-CG2 4.03Å; I398-T402 WeakPolarHBondContact O-CB 3.38Å; I398-T402 VanDerWaalsContact O-CG2 3.24Å; I398-T402 WeakPolarHBondContact O-CG2 3.34Å; I398-T402 PolarHBondContact O-N 2.67Å; I398-T402 PolarHBondContact O-OG1 3.45Å; T399-T402 WeakPolarHBondContact CA-OG1 3.49Å; T399-T402 PolarHBondContact O-OG1 3.48Å; T399-T402 VanDerWaalsContact O-OG1 3.14Å; V400-T402 PolarHBondContact O-N 3.11Å; T402-C404 VanDerWaalsContact C-N 3.26Å; T402-C404 PolarHBondContact O-N 2.8Å; T402-I405 PolarHBondContact O-N 3.17Å; T402-L421 HydrophobicContact CG2-CD2 4.15Å; T402-R436 WeakPolarHBondContact CG2-O 3.17Å; T402-Y440 HydrophobicContact CG2-CD2 3.64Å; T402-Y440 HydrophobicContact CG2-CE2 3.83Å; T402-Y440 HydrophobicContact CG2-CG 4.09Å; T402-Y440 WeakPolarHBondContact O-CE1 3.42Å |
| 403 | S | 93.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 36.1 Ų | 36.1 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -28.6 | 174.5 | 83.2 | 0 | 0 | 0 | 0 | 113.4 | S160 T399 V400 V401 | S160-S403 WeakPolarHBondContact O-CB 3.48Å; T399-S403 VanDerWaalsContact O-CB 3.23Å; T399-S403 WeakPolarHBondContact O-CB 3.3Å; T399-S403 PolarHBondContact O-N 3.11Å; T399-S403 PolarHBondContact O-OG 2.72Å; V400-S403 PolarHBondContact O-N 3.38Å; V400-S403 PolarHBondContact O-OG 3.01Å; V401-S403 VanDerWaalsContact C-N 3.29Å; V401-S403 PolarHBondContact O-N 3.28Å |
| 404 | C | 94.9 | Very high | 94 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -83.9 | -28.2 | -177.8 | -65 | 0 | 0 | 0 | 0 | 112.7 | P344 I348 V400 V401 T402 R406 G407 L408 | P344-C404 HydrophobicContact CB-CB 4.06Å; I348-C404 HydrophobicContact CD1-CB 3.95Å; I348-C404 HydrophobicContact CG1-CB 3.92Å; V400-C404 PolarHBondContact O-N 2.84Å; V400-C404 PolarHBondContact O-SG 3.17Å; V401-C404 WeakPolarHBondContact O-CB 3.26Å; V401-C404 PolarHBondContact O-N 2.87Å; T402-C404 VanDerWaalsContact C-N 3.26Å; T402-C404 PolarHBondContact O-N 2.8Å; C404-R406 VanDerWaalsContact C-N 3.31Å; C404-R406 PolarHBondContact O-N 3.27Å; C404-R406 VanDerWaalsContact O-N 3.15Å; C404-G407 WeakPolarHBondContact O-CA 3.42Å; C404-G407 PolarHBondContact O-N 3.27Å; C404-L408 PolarHBondContact O-N 3.08Å |
| 405 | I | 95 | Very high | 94.3 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.3 | -43.7 | -168.9 | -75.1 | 173 | 0 | 0 | 0 | 113.5 | V401 T402 G407 L408 A417 L421 Y440 L444 | V401-I405 HydrophobicContact CG1-CD1 4.49Å; V401-I405 WeakPolarHBondContact O-CG1 3.38Å; V401-I405 PolarHBondContact O-N 3.39Å; T402-I405 PolarHBondContact O-N 3.17Å; I405-G407 PolarHBondContact O-N 3.15Å; I405-L408 HydrophobicContact CG1-CD1 4.4Å; I405-L408 PolarHBondContact O-N 3.32Å; I405-A417 HydrophobicContact CG1-CB 4.24Å; I405-L421 HydrophobicContact CD1-CD1 3.82Å; I405-Y440 HydrophobicContact CB-CD1 4.15Å; I405-Y440 HydrophobicContact CD1-CD1 4.15Å; I405-Y440 HydrophobicContact CD1-CG 4.12Å; I405-Y440 HydrophobicContact CG2-CD1 4.21Å; I405-L444 HydrophobicContact CG2-CD1 3.96Å; I405-L444 HydrophobicContact CG2-CD2 4.02Å; I405-L444 HydrophobicContact CG2-CG 3.93Å |
| 406 | R | 91.3 | Very high | 94.6 | Very high | 199 Ų | 199 | 39.5 Ų | 39.5 | 75% | 0.751 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.2 | 179.9 | -66.1 | -175 | -177.2 | 176.8 | 2.5 | 113.3 | C404 | C404-R406 VanDerWaalsContact C-N 3.31Å; C404-R406 PolarHBondContact O-N 3.27Å; C404-R406 VanDerWaalsContact O-N 3.15Å |
| 407 | G | 91.6 | Very high | 94.8 | Very high | 34 Ų | 34 | 39.3 Ų | 39.3 | 35% | 0.351 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -5.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C404 I405 K409 | C404-G407 WeakPolarHBondContact O-CA 3.42Å; C404-G407 PolarHBondContact O-N 3.27Å; I405-G407 PolarHBondContact O-N 3.15Å; G407-K409 PolarHBondContact O-N 3.19Å |
| 408 | L | 94.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | trans | -70.6 | 126.3 | -178.1 | -63.2 | 178.5 | 0 | 0 | 0 | 111.6 | P344 I348 C404 I405 K414 A417 | P344-L408 HydrophobicContact CB-CD2 4.19Å; I348-L408 HydrophobicContact CB-CD2 4.32Å; I348-L408 HydrophobicContact CG1-CD1 4.3Å; I348-L408 HydrophobicContact CG1-CD2 3.76Å; C404-L408 PolarHBondContact O-N 3.08Å; I405-L408 HydrophobicContact CG1-CD1 4.4Å; I405-L408 PolarHBondContact O-N 3.32Å; L408-K414 HydrophobicContact CB-CG 3.81Å; L408-K414 HydrophobicContact CD1-CG 4.03Å; L408-K414 WeakPolarHBondContact O-CE 3.46Å; L408-A417 HydrophobicContact CD1-CB 3.86Å | ||
| 409 | K | 93.2 | Very high | 95 | Very high | 181 Ų | 181 | 42.7 Ų | 42.7 | 79% | 0.787 | 21% | 0.214 | S | C | * | . | trans | -96.9 | -34.5 | -179.3 | -62.6 | -179.1 | -177.3 | 176.2 | 0 | 112 | D345 G407 | D345-K409 PolarHBondContact OD1-N 2.91Å; D345-K409 PolarHBondContact OD2-N 3.36Å; D345-K409 VanDerWaalsContact OD2-N 3.1Å; G407-K409 PolarHBondContact O-N 3.19Å | ||
| 410 | Q | 94.1 | Very high | 95.1 | Very high | 101 Ų | 101 | 42.4 Ų | 42.4 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | trans | -89.8 | 145.7 | -173.4 | -54 | -178.7 | 4.9 | 0 | 0 | 112.1 | D345 T413 K414 | D345-Q410 PolarHBondContact OD1-N 3.25Å; Q410-T413 HydrophobicContact CB-CG2 4.13Å; Q410-T413 WeakPolarHBondContact CB-OG1 3.33Å; Q410-T413 PolarHBondContact O-OG1 3.29Å; Q410-K414 WeakPolarHBondContact O-CG 3.49Å; Q410-K414 PolarHBondContact O-N 2.89Å | ||
| 411 | S | 94.7 | Very high | 95.2 | Very high | 45 Ų | 45 | 42.4 Ų | 42.4 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.6 | -36.6 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | T413 K414 I415 | S411-T413 PolarHBondContact O-N 3.44Å; S411-K414 PolarHBondContact O-N 2.85Å; S411-I415 WeakPolarHBondContact O-CG1 3.48Å; S411-I415 PolarHBondContact O-N 3.38Å |
| 412 | N | 95.5 | Very high | 95.1 | Very high | 122 Ų | 122 | 45.1 Ų | 45.1 | 65% | 0.652 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.4 | -38 | -180 | -66.7 | -8.8 | 0 | 0 | 0 | 111.8 | I415 A416 | N412-I415 PolarHBondContact O-N 2.83Å; N412-A416 WeakPolarHBondContact O-CB 3.23Å; N412-A416 PolarHBondContact O-N 3.36Å |
| 413 | T | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72 | -33 | 176.9 | 55.6 | 0 | 0 | 0 | 0 | 111.7 | D345 Q349 Q410 S411 A416 A417 | D345-T413 HydrophobicContact CB-CG2 4.02Å; D345-T413 WeakPolarHBondContact OD1-CB 3.42Å; D345-T413 PolarHBondContact OD1-OG1 3.49Å; Q349-T413 HydrophobicContact CG-CG2 3.96Å; Q410-T413 HydrophobicContact CB-CG2 4.13Å; Q410-T413 WeakPolarHBondContact CB-OG1 3.33Å; Q410-T413 PolarHBondContact O-OG1 3.29Å; S411-T413 PolarHBondContact O-N 3.44Å; T413-A416 PolarHBondContact O-N 2.94Å; T413-A417 WeakPolarHBondContact O-CB 3.43Å; T413-A417 PolarHBondContact O-N 2.9Å |
| 414 | K | 96.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 169.9 | -71 | 176.1 | 179.3 | -170.4 | 0 | 112.2 | L408 Q410 S411 A417 L418 L444 V452 | L408-K414 HydrophobicContact CB-CG 3.81Å; L408-K414 HydrophobicContact CD1-CG 4.03Å; L408-K414 WeakPolarHBondContact O-CE 3.46Å; Q410-K414 WeakPolarHBondContact O-CG 3.49Å; Q410-K414 PolarHBondContact O-N 2.89Å; S411-K414 PolarHBondContact O-N 2.85Å; K414-A417 PolarHBondContact O-N 3.13Å; K414-L418 WeakPolarHBondContact O-CG 2.98Å; K414-L418 PolarHBondContact O-N 2.95Å; K414-L418 VanDerWaalsContact O-N 3.13Å; K414-L444 HydrophobicContact CB-CD2 4.4Å; K414-L444 HydrophobicContact CD-CD2 4.04Å; K414-L444 HydrophobicContact CG-CD2 4.14Å; K414-V452 HydrophobicContact CB-CG1 3.85Å; K414-V452 HydrophobicContact CB-CG2 4.07Å; K414-V452 HydrophobicContact CD-CG1 4.39Å; K414-V452 HydrophobicContact CD-CG2 4.36Å |
| 415 | I | 96.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -48.2 | 173.9 | -69.9 | 167.8 | 0 | 0 | 0 | 110 | S411 N412 A417 L418 E419 K451 V452 Q455 | S411-I415 WeakPolarHBondContact O-CG1 3.48Å; S411-I415 PolarHBondContact O-N 3.38Å; N412-I415 PolarHBondContact O-N 2.83Å; I415-A417 VanDerWaalsContact C-N 3.26Å; I415-A417 PolarHBondContact O-N 3.18Å; I415-L418 WeakPolarHBondContact O-CA 3.42Å; I415-L418 WeakPolarHBondContact O-CB 3.22Å; I415-L418 PolarHBondContact O-N 3.44Å; I415-E419 HydrophobicContact CG2-CG 4.48Å; I415-E419 WeakPolarHBondContact CG2-OE1 3.33Å; I415-E419 WeakPolarHBondContact O-CG 3.35Å; I415-E419 PolarHBondContact O-N 2.9Å; I415-K451 HydrophobicContact CD1-CB 4.4Å; I415-V452 HydrophobicContact CG1-CG2 4.22Å; I415-Q455 HydrophobicContact CG1-CB 4.27Å; I415-Q455 HydrophobicContact CG2-CG 4.07Å |
| 416 | A | 96.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 51 Ų | 51 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58 | -37.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I348 H352 N412 T413 E419 L420 | I348-A416 HydrophobicContact CG2-CB 4.14Å; H352-A416 HydrophobicContact CB-CB 4.41Å; N412-A416 WeakPolarHBondContact O-CB 3.23Å; N412-A416 PolarHBondContact O-N 3.36Å; T413-A416 PolarHBondContact O-N 2.94Å; A416-E419 PolarHBondContact O-N 3.42Å; A416-L420 WeakPolarHBondContact O-CB 3.38Å; A416-L420 VanDerWaalsContact O-CG 3.3Å; A416-L420 WeakPolarHBondContact O-CG 3.47Å; A416-L420 PolarHBondContact O-N 3.31Å |
| 417 | A | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I348 V401 I405 L408 T413 K414 I415 L420 L421 | I348-A417 HydrophobicContact CD1-CB 4.44Å; I348-A417 HydrophobicContact CG2-CB 4.12Å; V401-A417 HydrophobicContact CG1-CB 4.38Å; I405-A417 HydrophobicContact CG1-CB 4.24Å; L408-A417 HydrophobicContact CD1-CB 3.86Å; T413-A417 WeakPolarHBondContact O-CB 3.43Å; T413-A417 PolarHBondContact O-N 2.9Å; K414-A417 PolarHBondContact O-N 3.13Å; I415-A417 VanDerWaalsContact C-N 3.26Å; I415-A417 PolarHBondContact O-N 3.18Å; A417-L420 WeakPolarHBondContact O-CB 3.48Å; A417-L420 PolarHBondContact O-N 3.27Å; A417-L421 VanDerWaalsContact O-CG 3.27Å; A417-L421 WeakPolarHBondContact O-CG 3.46Å; A417-L421 PolarHBondContact O-N 3.41Å |
| 418 | L | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -44 | 175 | -71.1 | 164.9 | 0 | 0 | 0 | 111.6 | K414 I415 L420 L421 Q422 I441 L444 V452 Q455 A456 T459 | K414-L418 WeakPolarHBondContact O-CG 2.98Å; K414-L418 PolarHBondContact O-N 2.95Å; K414-L418 VanDerWaalsContact O-N 3.13Å; I415-L418 WeakPolarHBondContact O-CA 3.42Å; I415-L418 WeakPolarHBondContact O-CB 3.22Å; I415-L418 PolarHBondContact O-N 3.44Å; L418-L420 VanDerWaalsContact C-N 3.35Å; L418-L420 PolarHBondContact O-N 2.92Å; L418-L421 PolarHBondContact O-N 2.99Å; L418-Q422 WeakPolarHBondContact O-CB 3.42Å; L418-Q422 PolarHBondContact O-N 3.45Å; L418-I441 HydrophobicContact CD2-CB 4.43Å; L418-I441 HydrophobicContact CD2-CG1 4.1Å; L418-I441 HydrophobicContact CD2-CG2 4.27Å; L418-L444 HydrophobicContact CD1-CD1 4.14Å; L418-L444 HydrophobicContact CD2-CB 4.45Å; L418-L444 HydrophobicContact CD2-CD1 3.75Å; L418-L444 HydrophobicContact CG-CD1 3.75Å; L418-V452 HydrophobicContact CD1-CG1 4.05Å; L418-Q455 HydrophobicContact CB-CG 3.87Å; L418-Q455 HydrophobicContact CD1-CB 3.92Å; L418-Q455 HydrophobicContact CD1-CG 3.83Å; L418-A456 HydrophobicContact CD1-CB 3.88Å; L418-A456 HydrophobicContact CD2-CB 4.23Å; L418-T459 HydrophobicContact CB-CG2 4.4Å; L418-T459 HydrophobicContact CD2-CG2 4.32Å |
| 419 | E | 96.1 | Very high | 93.3 | Very high | 71 Ų | 71 | 42.3 Ų | 42.3 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 174.9 | -69.1 | 172.3 | -177.6 | 0 | 0 | 112 | H352 I415 A416 Q422 K423 | H352-E419 IonicContact CD2-OE2 2.67Å; H352-E419 IonicContact CE1-OE2 3.59Å; H352-E419 IonicContact NE2-OE2 2.9Å; H352-E419 PolarHBondContact NE2-OE2 3.45Å; I415-E419 HydrophobicContact CG2-CG 4.48Å; I415-E419 WeakPolarHBondContact CG2-OE1 3.33Å; I415-E419 WeakPolarHBondContact O-CG 3.35Å; I415-E419 PolarHBondContact O-N 2.9Å; A416-E419 PolarHBondContact O-N 3.42Å; E419-Q422 PolarHBondContact O-N 3.07Å; E419-K423 PolarHBondContact O-N 3.43Å |
| 420 | L | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 173.2 | -82.8 | 175.8 | 0 | 0 | 0 | 111.4 | I348 L351 H352 I355 V401 A416 A417 L418 Q422 K423 L424 | I348-L420 HydrophobicContact CD1-CD1 4.42Å; I348-L420 HydrophobicContact CG2-CD1 4.14Å; L351-L420 HydrophobicContact CB-CD1 4Å; H352-L420 HydrophobicContact CB-CD1 4.15Å; H352-L420 HydrophobicContact CB-CD2 4.34Å; H352-L420 HydrophobicContact CB-CG 4.21Å; I355-L420 HydrophobicContact CB-CD2 3.54Å; I355-L420 HydrophobicContact CD1-CD2 3.65Å; I355-L420 HydrophobicContact CG1-CD2 3.45Å; I355-L420 VanDerWaalsContact CG1-CD2 3.45Å; I355-L420 HydrophobicContact CG2-CD2 4.05Å; V401-L420 HydrophobicContact CG2-CD1 4.06Å; A416-L420 WeakPolarHBondContact O-CB 3.38Å; A416-L420 VanDerWaalsContact O-CG 3.3Å; A416-L420 WeakPolarHBondContact O-CG 3.47Å; A416-L420 PolarHBondContact O-N 3.31Å; A417-L420 WeakPolarHBondContact O-CB 3.48Å; A417-L420 PolarHBondContact O-N 3.27Å; L418-L420 VanDerWaalsContact C-N 3.35Å; L418-L420 PolarHBondContact O-N 2.92Å; L420-Q422 VanDerWaalsContact C-N 3.3Å; L420-Q422 PolarHBondContact O-N 3.33Å; L420-K423 PolarHBondContact O-N 3Å; L420-L424 WeakPolarHBondContact O-CB 3.13Å; L420-L424 WeakPolarHBondContact O-CD1 3.45Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.43Å; L420-L424 PolarHBondContact O-N 3.4Å |
| 421 | L | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -38.2 | 179 | -69.9 | 175.1 | 0 | 0 | 0 | 111.9 | I398 V401 T402 I405 A417 L418 S425 I437 I441 | I398-L421 HydrophobicContact CG2-CD2 4.37Å; V401-L421 HydrophobicContact CB-CD2 4.43Å; V401-L421 HydrophobicContact CG1-CD2 3.89Å; V401-L421 HydrophobicContact CG1-CG 4.01Å; T402-L421 HydrophobicContact CG2-CD2 4.15Å; I405-L421 HydrophobicContact CD1-CD1 3.82Å; A417-L421 VanDerWaalsContact O-CG 3.27Å; A417-L421 WeakPolarHBondContact O-CG 3.46Å; A417-L421 PolarHBondContact O-N 3.41Å; L418-L421 PolarHBondContact O-N 2.99Å; L421-S425 WeakPolarHBondContact O-CB 3.11Å; L421-S425 PolarHBondContact O-N 3.13Å; L421-S425 PolarHBondContact O-OG 2.95Å; L421-S425 VanDerWaalsContact O-OG 3.13Å; L421-I437 HydrophobicContact CB-CG2 3.98Å; L421-I437 HydrophobicContact CD1-CG2 4.16Å; L421-I437 HydrophobicContact CD2-CD1 4.49Å; L421-I437 HydrophobicContact CD2-CG1 4.17Å; L421-I437 HydrophobicContact CD2-CG2 4.18Å; L421-I437 HydrophobicContact CG-CG2 4.32Å; L421-I441 HydrophobicContact CD1-CG1 4.39Å |
| 422 | Q | 94.5 | Very high | 92.5 | Very high | 57 Ų | 57 | 32.3 Ų | 32.3 | 27% | 0.266 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66 | -40.2 | 175.5 | -162.7 | -175.7 | 9.3 | 0 | 0 | 112.6 | L418 E419 L420 S425 T459 A462 | L418-Q422 WeakPolarHBondContact O-CB 3.42Å; L418-Q422 PolarHBondContact O-N 3.45Å; E419-Q422 PolarHBondContact O-N 3.07Å; L420-Q422 VanDerWaalsContact C-N 3.3Å; L420-Q422 PolarHBondContact O-N 3.33Å; Q422-S425 WeakPolarHBondContact CA-OG 3.49Å; Q422-S425 PolarHBondContact O-OG 3.32Å; Q422-T459 HydrophobicContact CB-CG2 3.95Å; Q422-T459 HydrophobicContact CG-CG2 4.39Å; Q422-A462 HydrophobicContact CG-CB 4.13Å; Q422-A462 VanDerWaalsContact NE2-CB 3.25Å |
| 423 | K | 91.7 | Very high | 92.3 | Very high | 59 Ų | 59 | 26.6 Ų | 26.6 | 26% | 0.257 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -70.3 | -39.3 | 178.5 | -165.3 | 170.9 | -178 | 168.9 | 0 | 110.9 | I355 I359 E373 E419 L420 Y427 | I355-K423 HydrophobicContact CG1-CD 4.48Å; I355-K423 HydrophobicContact CG2-CD 3.93Å; I359-K423 HydrophobicContact CD1-CD 4.22Å; I359-K423 HydrophobicContact CD1-CG 3.85Å; E373-K423 IonicContact OE1-NZ 2.8Å; E373-K423 PolarHBondContact OE1-NZ 3.02Å; E373-K423 IonicContact OE2-NZ 3.58Å; E419-K423 PolarHBondContact O-N 3.43Å; L420-K423 PolarHBondContact O-N 3Å; K423-Y427 WeakPolarHBondContact O-CD2 3.48Å |
| 424 | L | 90.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | 177.4 | -71 | 167.5 | 0 | 0 | 0 | 112.6 | I355 I359 L394 I397 I398 L420 K426 Y427 T428 | I355-L424 HydrophobicContact CD1-CD1 4.15Å; I355-L424 HydrophobicContact CD1-CD2 3.75Å; I355-L424 HydrophobicContact CD1-CG 3.98Å; I359-L424 HydrophobicContact CD1-CD2 4.4Å; I359-L424 HydrophobicContact CG1-CD2 4.1Å; L394-L424 HydrophobicContact CB-CD2 4.22Å; L394-L424 HydrophobicContact CD1-CD2 4.41Å; L394-L424 HydrophobicContact CD2-CD2 3.96Å; L394-L424 HydrophobicContact CG-CD2 4.44Å; I397-L424 HydrophobicContact CG2-CD1 4.23Å; I398-L424 HydrophobicContact CD1-CB 4.34Å; I398-L424 HydrophobicContact CG1-CB 4.12Å; I398-L424 HydrophobicContact CG1-CD1 3.79Å; I398-L424 HydrophobicContact CG1-CG 4.43Å; L420-L424 WeakPolarHBondContact O-CB 3.13Å; L420-L424 WeakPolarHBondContact O-CD1 3.45Å; L420-L424 VanDerWaalsContact O-CG 3.23Å; L420-L424 WeakPolarHBondContact O-CG 3.43Å; L420-L424 PolarHBondContact O-N 3.4Å; L424-K426 PolarHBondContact O-N 2.8Å; L424-Y427 PolarHBondContact O-N 2.92Å; L424-Y427 VanDerWaalsContact O-N 3.08Å; L424-T428 PolarHBondContact O-N 3.5Å |
| 425 | S | 90.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -18 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | L421 Q422 Y427 C463 M466 | L421-S425 WeakPolarHBondContact O-CB 3.11Å; L421-S425 PolarHBondContact O-N 3.13Å; L421-S425 PolarHBondContact O-OG 2.95Å; L421-S425 VanDerWaalsContact O-OG 3.13Å; Q422-S425 WeakPolarHBondContact CA-OG 3.49Å; Q422-S425 PolarHBondContact O-OG 3.32Å; S425-Y427 VanDerWaalsContact C-N 3.25Å; S425-Y427 PolarHBondContact O-N 2.96Å; S425-C463 PolarHBondContact OG-SG 3.25Å; S425-M466 WeakPolarHBondContact OG-CE 3.4Å |
| 426 | K | 87.1 | Confident | 91.4 | Very high | 113 Ų | 113 | 28 Ų | 28 | 49% | 0.491 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -30.6 | 171.7 | -66.4 | -179 | 179.7 | -174.1 | 0 | 113.1 | L424 M466 | L424-K426 PolarHBondContact O-N 2.8Å; K426-M466 HydrophobicContact CB-SD 4.2Å; K426-M466 HydrophobicContact CG-CE 4.26Å; K426-M466 HydrophobicContact CG-SD 3.58Å; K426-M466 VanDerWaalsContact CG-SD 3.58Å |
| 427 | Y | 84.5 | Confident | 91.3 | Very high | 45 Ų | 45 | 27.5 Ų | 27.5 | 18% | 0.176 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | -12.3 | -168.3 | -57.7 | -77.7 | 0 | 0 | 0 | 114.2 | I359 L368 C384 L394 K423 L424 S425 | I359-Y427 HydrophobicContact CD1-CD2 4.12Å; I359-Y427 HydrophobicContact CD1-CE2 4Å; I359-Y427 HydrophobicContact CG2-CD2 3.91Å; I359-Y427 HydrophobicContact CG2-CE2 3.88Å; I359-Y427 HydrophobicContact CG2-CG 4.26Å; L368-Y427 HydrophobicContact CD1-CE1 4.38Å; C384-Y427 HydrophobicContact CB-CD1 4.34Å; C384-Y427 HydrophobicContact CB-CE1 4.21Å; L394-Y427 HydrophobicContact CD1-CG 4.37Å; K423-Y427 WeakPolarHBondContact O-CD2 3.48Å; L424-Y427 PolarHBondContact O-N 2.92Å; L424-Y427 VanDerWaalsContact O-N 3.08Å; S425-Y427 VanDerWaalsContact C-N 3.25Å; S425-Y427 PolarHBondContact O-N 2.96Å |
| 428 | T | 86.8 | Confident | 91.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -92.1 | 172.3 | -178.9 | -164.9 | 0 | 0 | 0 | 0 | 112.5 | R386 D392 I398 L424 T432 I433 I437 | R386-T428 VanDerWaalsContact CD-O 3.32Å; R386-T428 WeakPolarHBondContact CD-O 3.46Å; R386-T428 PolarHBondContact NE-O 3.16Å; D392-T428 VanDerWaalsContact OD2-CA 3.3Å; D392-T428 WeakPolarHBondContact OD2-CA 3.37Å; D392-T428 WeakPolarHBondContact OD2-CB 3.41Å; D392-T428 PolarHBondContact OD2-OG1 3.27Å; I398-T428 HydrophobicContact CD1-CG2 4.25Å; L424-T428 PolarHBondContact O-N 3.5Å; T428-T432 HydrophobicContact CG2-CG2 4.37Å; T428-T432 VanDerWaalsContact OG1-CB 3.31Å; T428-T432 WeakPolarHBondContact OG1-CB 3.48Å; T428-T432 WeakPolarHBondContact OG1-CG2 3.27Å; T428-I433 HydrophobicContact CG2-CD1 4.32Å; T428-I433 HydrophobicContact CG2-CG1 3.7Å; T428-I437 HydrophobicContact CG2-CD1 4.34Å |
| 429 | T | 86.9 | Confident | 91.1 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 9% | 0.092 | 14% | 0.142 | C | C | . | . | trans | -74.8 | 153.6 | 178.2 | 66.5 | 0 | 0 | 0 | 0 | 113 | P389 D392 E431 T432 I433 | P389-T429 HydrophobicContact CB-CG2 4.25Å; P389-T429 HydrophobicContact CG-CG2 4.04Å; D392-T429 PolarHBondContact OD2-N 2.85Å; T429-E431 VanDerWaalsContact C-N 3.29Å; T429-E431 PolarHBondContact O-N 3Å; T429-T432 PolarHBondContact O-N 3.24Å; T429-T432 VanDerWaalsContact O-N 3.12Å; T429-T432 PolarHBondContact OG1-N 3.3Å; T429-T432 PolarHBondContact OG1-OG1 2.77Å; T429-I433 WeakPolarHBondContact O-CG1 3.34Å; T429-I433 PolarHBondContact O-N 3.47Å; T429-I433 VanDerWaalsContact O-N 3.13Å | ||
| 430 | S | 88.2 | Confident | 91 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.6 | -40.7 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | R386 T432 I433 L434 K468 D469 | R386-S430 PolarHBondContact NH1-OG 3.25Å; S430-T432 PolarHBondContact O-N 3.05Å; S430-I433 WeakPolarHBondContact O-CB 3.24Å; S430-I433 PolarHBondContact O-N 3.48Å; S430-L434 WeakPolarHBondContact O-CG 3.36Å; S430-L434 PolarHBondContact O-N 2.88Å; S430-L434 VanDerWaalsContact O-N 3.1Å; S430-K468 PolarHBondContact OG-N 3.42Å; S430-D469 WeakPolarHBondContact CB-O 3.22Å; S430-D469 PolarHBondContact OG-N 3.16Å; S430-D469 PolarHBondContact OG-O 3.31Å |
| 431 | E | 87.2 | Confident | 91.1 | Very high | 100 Ų | 100 | 29 Ų | 29 | 47% | 0.467 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 175 | -174.2 | -176.8 | 174.6 | 0 | 0 | 111.6 | T429 I433 L434 D435 P471 | T429-E431 VanDerWaalsContact C-N 3.29Å; T429-E431 PolarHBondContact O-N 3Å; E431-I433 VanDerWaalsContact C-N 3.31Å; E431-I433 PolarHBondContact O-N 3.13Å; E431-L434 PolarHBondContact O-N 3.2Å; E431-D435 WeakPolarHBondContact O-CB 3.44Å; E431-D435 PolarHBondContact O-N 3.23Å; E431-P471 HydrophobicContact CB-CG 4.45Å |
| 432 | T | 89.4 | Confident | 91 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 6% | 0.061 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.2 | -37.4 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | I395 I398 T428 T429 S430 R436 I437 | I395-T432 HydrophobicContact CD1-CG2 4.47Å; I395-T432 HydrophobicContact CG1-CG2 4.16Å; I398-T432 HydrophobicContact CD1-CG2 3.71Å; T428-T432 HydrophobicContact CG2-CG2 4.37Å; T428-T432 VanDerWaalsContact OG1-CB 3.31Å; T428-T432 WeakPolarHBondContact OG1-CB 3.48Å; T428-T432 WeakPolarHBondContact OG1-CG2 3.27Å; T429-T432 PolarHBondContact O-N 3.24Å; T429-T432 VanDerWaalsContact O-N 3.12Å; T429-T432 PolarHBondContact OG1-N 3.3Å; T429-T432 PolarHBondContact OG1-OG1 2.77Å; S430-T432 PolarHBondContact O-N 3.05Å; T432-R436 HydrophobicContact CG2-CB 4.02Å; T432-R436 HydrophobicContact CG2-CG 4.1Å; T432-R436 WeakPolarHBondContact O-CA 3.29Å; T432-R436 VanDerWaalsContact O-CB 3.28Å; T432-R436 WeakPolarHBondContact O-CB 3.47Å; T432-R436 PolarHBondContact O-N 2.83Å; T432-I437 PolarHBondContact O-N 3.02Å |
| 433 | I | 91.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -61.4 | -47.2 | 175.5 | -61.3 | 171.7 | 0 | 0 | 0 | 110.5 | T428 T429 S430 E431 I437 L438 C463 M466 V467 | T428-I433 HydrophobicContact CG2-CD1 4.32Å; T428-I433 HydrophobicContact CG2-CG1 3.7Å; T429-I433 WeakPolarHBondContact O-CG1 3.34Å; T429-I433 PolarHBondContact O-N 3.47Å; T429-I433 VanDerWaalsContact O-N 3.13Å; S430-I433 WeakPolarHBondContact O-CB 3.24Å; S430-I433 PolarHBondContact O-N 3.48Å; E431-I433 VanDerWaalsContact C-N 3.31Å; E431-I433 PolarHBondContact O-N 3.13Å; I433-I437 HydrophobicContact CG1-CD1 4.41Å; I433-I437 WeakPolarHBondContact O-CB 3.33Å; I433-I437 PolarHBondContact O-N 3.22Å; I433-L438 WeakPolarHBondContact O-CB 3.48Å; I433-L438 PolarHBondContact O-N 3.04Å; I433-C463 HydrophobicContact CG2-CB 4.06Å; I433-M466 HydrophobicContact CD1-CB 4.41Å; I433-V467 HydrophobicContact CB-CG2 4.25Å; I433-V467 HydrophobicContact CD1-CG2 4.32Å; I433-V467 HydrophobicContact CG2-CG2 3.91Å |
| 434 | L | 91.1 | Very high | 91.2 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -74.2 | -46.4 | -176.1 | -64.2 | 176.2 | 0 | 0 | 0 | 112.8 | S430 E431 L438 L464 V467 D474 F516 | S430-L434 WeakPolarHBondContact O-CG 3.36Å; S430-L434 PolarHBondContact O-N 2.88Å; S430-L434 VanDerWaalsContact O-N 3.1Å; E431-L434 PolarHBondContact O-N 3.2Å; L434-L438 HydrophobicContact CD2-CD2 4.15Å; L434-L438 WeakPolarHBondContact O-CB 3.41Å; L434-L464 HydrophobicContact CD2-CD2 4.32Å; L434-V467 HydrophobicContact CD1-CG1 4.24Å; L434-V467 HydrophobicContact CD2-CG2 4.18Å; L434-V467 HydrophobicContact CG-CG2 4.38Å; L434-D474 HydrophobicContact CD1-CB 3.98Å; L434-D474 WeakPolarHBondContact CD1-OD2 3.47Å; L434-F516 HydrophobicContact CD1-CE1 4.33Å; L434-F516 HydrophobicContact CD2-CE1 4.01Å; L434-F516 HydrophobicContact CD2-CZ 4.21Å |
| 435 | D | 89.1 | Confident | 91.3 | Very high | 67 Ų | 67 | 26.7 Ų | 26.7 | 36% | 0.358 | 13% | 0.127 | S | C | . | . | I | π-helix | trans | -85.7 | -34.3 | -173.7 | -83.8 | -11.7 | 0 | 0 | 0 | 113.9 | E431 | E431-D435 WeakPolarHBondContact O-CB 3.44Å; E431-D435 PolarHBondContact O-N 3.23Å |
| 436 | R | 90.4 | Very high | 91.3 | Very high | 23 Ų | 23 | 30.9 Ų | 30.9 | 9% | 0.087 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -106.4 | -31.9 | -171 | -53.4 | -58.7 | -170.3 | 111.5 | 1 | 113.2 | P120 F121 E126 I398 T402 T432 Y440 | P120-R436 VanDerWaalsContact CG-CD 3.47Å; P120-R436 VanDerWaalsContact CG-CZ 3.44Å; F121-R436 PolarHBondContact O-NH2 3.31Å; E126-R436 IonicContact OE1-CZ 3.65Å; E126-R436 IonicContact OE1-NH1 3.94Å; E126-R436 PolarHBondContact OE1-NH1 3.46Å; E126-R436 IonicContact OE1-NH2 2.68Å; E126-R436 IonicContact OE2-CZ 2.82Å; E126-R436 IonicContact OE2-NH1 2.69Å; E126-R436 IonicContact OE2-NH2 3.28Å; E126-R436 PolarHBondContact OE2-NH2 3.37Å; I398-R436 HydrophobicContact CG2-CB 4.25Å; T402-R436 WeakPolarHBondContact CG2-O 3.17Å; T432-R436 HydrophobicContact CG2-CB 4.02Å; T432-R436 HydrophobicContact CG2-CG 4.1Å; T432-R436 WeakPolarHBondContact O-CA 3.29Å; T432-R436 VanDerWaalsContact O-CB 3.28Å; T432-R436 WeakPolarHBondContact O-CB 3.47Å; T432-R436 PolarHBondContact O-N 2.83Å; R436-Y440 WeakPolarHBondContact O-CD2 3.3Å; R436-Y440 WeakPolarHBondContact O-CE2 3.3Å |
| 437 | I | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -98.2 | -52.1 | -174.5 | -59.5 | -177.2 | 0 | 0 | 0 | 111.7 | I398 L421 T428 T432 I433 P439 Y440 I441 | I398-I437 HydrophobicContact CD1-CD1 4.09Å; I398-I437 HydrophobicContact CG2-CD1 4.45Å; I398-I437 HydrophobicContact CG2-CG1 3.88Å; L421-I437 HydrophobicContact CB-CG2 3.98Å; L421-I437 HydrophobicContact CD1-CG2 4.16Å; L421-I437 HydrophobicContact CD2-CD1 4.49Å; L421-I437 HydrophobicContact CD2-CG1 4.17Å; L421-I437 HydrophobicContact CD2-CG2 4.18Å; L421-I437 HydrophobicContact CG-CG2 4.32Å; T428-I437 HydrophobicContact CG2-CD1 4.34Å; T432-I437 PolarHBondContact O-N 3.02Å; I433-I437 HydrophobicContact CG1-CD1 4.41Å; I433-I437 WeakPolarHBondContact O-CB 3.33Å; I433-I437 PolarHBondContact O-N 3.22Å; I437-P439 VanDerWaalsContact C-CD 3.48Å; I437-Y440 PolarHBondContact O-N 2.72Å; I437-Y440 VanDerWaalsContact O-N 3.09Å; I437-I441 HydrophobicContact CG2-CD1 3.52Å; I437-I441 HydrophobicContact CG2-CG1 4.05Å; I437-I441 PolarHBondContact O-N 3.49Å |
| 438 | L | 94.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.1 | -45.5 | -172.3 | 175.9 | 66.6 | 0 | 0 | 0 | 114.3 | I433 L434 Y440 I441 L442 L460 L464 V477 Y481 I482 | I433-L438 WeakPolarHBondContact O-CB 3.48Å; I433-L438 PolarHBondContact O-N 3.04Å; L434-L438 HydrophobicContact CD2-CD2 4.15Å; L434-L438 WeakPolarHBondContact O-CB 3.41Å; L438-Y440 PolarHBondContact O-N 2.86Å; L438-Y440 VanDerWaalsContact O-N 3.15Å; L438-I441 PolarHBondContact O-N 3.49Å; L438-L442 HydrophobicContact CD1-CD1 4Å; L438-L442 HydrophobicContact CD1-CD2 4.49Å; L438-L442 HydrophobicContact CD1-CG 4.01Å; L438-L442 HydrophobicContact CG-CD1 4.03Å; L438-L442 HydrophobicContact CG-CG 4.42Å; L438-L442 WeakPolarHBondContact O-CG 3.43Å; L438-L442 PolarHBondContact O-N 2.98Å; L438-L460 HydrophobicContact CD1-CD1 3.28Å; L438-L464 HydrophobicContact CD1-CD2 4.44Å; L438-V477 HydrophobicContact CD2-CG2 3.91Å; L438-Y481 HydrophobicContact CD2-CD1 4.35Å; L438-Y481 HydrophobicContact CD2-CE1 4.47Å; L438-Y481 HydrophobicContact CG-CE1 4.49Å; L438-I482 HydrophobicContact CD1-CD1 4.42Å; L438-I482 HydrophobicContact CD1-CG1 4.26Å; L438-I482 HydrophobicContact CD2-CD1 3.99Å; L438-I482 HydrophobicContact CD2-CG1 3.99Å |
| 439 | P | 94.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.5 | -30.6 | -178.1 | -25 | 35.9 | 0 | 0 | 0 | 113.5 | I437 H443 | I437-P439 VanDerWaalsContact C-CD 3.48Å; P439-H443 WeakPolarHBondContact O-CB 3.41Å; P439-H443 PolarHBondContact O-N 2.91Å |
| 440 | Y | 95.4 | Very high | 92.1 | Very high | 58 Ų | 58 | 35 Ų | 35 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -82.8 | -33.7 | -179.2 | -63.9 | -89.8 | 0 | 0 | 0 | 112.4 | T402 I405 R436 I437 L438 H443 L444 | T402-Y440 HydrophobicContact CG2-CD2 3.64Å; T402-Y440 HydrophobicContact CG2-CE2 3.83Å; T402-Y440 HydrophobicContact CG2-CG 4.09Å; T402-Y440 WeakPolarHBondContact O-CE1 3.42Å; I405-Y440 HydrophobicContact CB-CD1 4.15Å; I405-Y440 HydrophobicContact CD1-CD1 4.15Å; I405-Y440 HydrophobicContact CD1-CG 4.12Å; I405-Y440 HydrophobicContact CG2-CD1 4.21Å; R436-Y440 WeakPolarHBondContact O-CD2 3.3Å; R436-Y440 WeakPolarHBondContact O-CE2 3.3Å; I437-Y440 PolarHBondContact O-N 2.72Å; I437-Y440 VanDerWaalsContact O-N 3.09Å; L438-Y440 PolarHBondContact O-N 2.86Å; L438-Y440 VanDerWaalsContact O-N 3.15Å; Y440-H443 PolarHBondContact O-N 3.48Å; Y440-L444 WeakPolarHBondContact O-CG 3.29Å; Y440-L444 PolarHBondContact O-N 3.05Å |
| 441 | I | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 170.9 | -62.3 | 171.7 | 0 | 0 | 0 | 109.4 | L418 L421 I437 L438 H443 L444 A445 A456 T459 L460 C463 | L418-I441 HydrophobicContact CD2-CB 4.43Å; L418-I441 HydrophobicContact CD2-CG1 4.1Å; L418-I441 HydrophobicContact CD2-CG2 4.27Å; L421-I441 HydrophobicContact CD1-CG1 4.39Å; I437-I441 HydrophobicContact CG2-CD1 3.52Å; I437-I441 HydrophobicContact CG2-CG1 4.05Å; I437-I441 PolarHBondContact O-N 3.49Å; L438-I441 PolarHBondContact O-N 3.49Å; I441-H443 VanDerWaalsContact C-N 3.34Å; I441-H443 PolarHBondContact O-N 3.19Å; I441-L444 PolarHBondContact O-N 3.13Å; I441-L444 VanDerWaalsContact O-N 3.15Å; I441-A445 PolarHBondContact O-N 3.43Å; I441-A456 HydrophobicContact CG2-CB 4.36Å; I441-A456 VanDerWaalsContact CG2-O 3.3Å; I441-A456 WeakPolarHBondContact CG2-O 3.18Å; I441-T459 HydrophobicContact CD1-CG2 3.85Å; I441-T459 HydrophobicContact CG1-CG2 4.29Å; I441-L460 HydrophobicContact CG2-CB 3.8Å; I441-L460 HydrophobicContact CG2-CD1 4.26Å; I441-C463 HydrophobicContact CD1-CB 4.29Å |
| 442 | L | 95.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | 178.7 | -66.2 | 177.1 | 0 | 0 | 0 | 112.1 | L438 L444 A445 Q446 L460 Y481 I486 | L438-L442 HydrophobicContact CD1-CD1 4Å; L438-L442 HydrophobicContact CD1-CD2 4.49Å; L438-L442 HydrophobicContact CD1-CG 4.01Å; L438-L442 HydrophobicContact CG-CD1 4.03Å; L438-L442 HydrophobicContact CG-CG 4.42Å; L438-L442 WeakPolarHBondContact O-CG 3.43Å; L438-L442 PolarHBondContact O-N 2.98Å; L442-L444 VanDerWaalsContact C-N 3.31Å; L442-L444 PolarHBondContact O-N 2.94Å; L442-A445 PolarHBondContact O-N 3.3Å; L442-Q446 PolarHBondContact O-N 3.47Å; L442-L460 HydrophobicContact CD2-CD1 4.12Å; L442-L460 HydrophobicContact CD2-CD2 3.95Å; L442-Y481 HydrophobicContact CD1-CD1 3.78Å; L442-Y481 HydrophobicContact CD1-CE1 3.42Å; L442-Y481 VanDerWaalsContact CD1-CE1 3.42Å; L442-Y481 HydrophobicContact CD1-CE2 4.36Å; L442-Y481 HydrophobicContact CD1-CG 4.39Å; L442-I486 HydrophobicContact CD2-CG2 3.73Å |
| 443 | H | 94.8 | Very high | 93.2 | Very high | 60 Ų | 60 | 37.2 Ų | 37.2 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57 | -44.6 | 173.2 | 177.9 | 68.8 | 0 | 0 | 0 | 112.2 | P439 Y440 I441 K447 | P439-H443 WeakPolarHBondContact O-CB 3.41Å; P439-H443 PolarHBondContact O-N 2.91Å; Y440-H443 PolarHBondContact O-N 3.48Å; I441-H443 VanDerWaalsContact C-N 3.34Å; I441-H443 PolarHBondContact O-N 3.19Å; H443-K447 PolarHBondContact O-N 3.49Å |
| 444 | L | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.2 | -32.7 | 178.2 | -72.4 | 176.1 | 0 | 0 | 0 | 112.5 | I405 K414 L418 Y440 I441 L442 S448 V452 A456 | I405-L444 HydrophobicContact CG2-CD1 3.96Å; I405-L444 HydrophobicContact CG2-CD2 4.02Å; I405-L444 HydrophobicContact CG2-CG 3.93Å; K414-L444 HydrophobicContact CB-CD2 4.4Å; K414-L444 HydrophobicContact CD-CD2 4.04Å; K414-L444 HydrophobicContact CG-CD2 4.14Å; L418-L444 HydrophobicContact CD1-CD1 4.14Å; L418-L444 HydrophobicContact CD2-CB 4.45Å; L418-L444 HydrophobicContact CD2-CD1 3.75Å; L418-L444 HydrophobicContact CG-CD1 3.75Å; Y440-L444 WeakPolarHBondContact O-CG 3.29Å; Y440-L444 PolarHBondContact O-N 3.05Å; I441-L444 PolarHBondContact O-N 3.13Å; I441-L444 VanDerWaalsContact O-N 3.15Å; L442-L444 VanDerWaalsContact C-N 3.31Å; L442-L444 PolarHBondContact O-N 2.94Å; L444-S448 WeakPolarHBondContact O-CB 3.39Å; L444-S448 PolarHBondContact O-OG 3.14Å; L444-V452 HydrophobicContact CB-CG1 4.3Å; L444-V452 HydrophobicContact CD2-CG1 4.37Å; L444-A456 HydrophobicContact CB-CB 4.41Å |
| 445 | A | 93.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -37.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I441 L442 Q453 A456 L489 | I441-A445 PolarHBondContact O-N 3.43Å; L442-A445 PolarHBondContact O-N 3.3Å; A445-Q453 VanDerWaalsContact O-CG 3.25Å; A445-Q453 WeakPolarHBondContact O-CG 3.35Å; A445-Q453 PolarHBondContact O-NE2 3Å; A445-A456 HydrophobicContact CB-CB 3.83Å; A445-L489 HydrophobicContact CB-CD1 4.25Å |
| 446 | Q | 90.2 | Very high | 94 | Very high | 89 Ų | 89 | 36.5 Ų | 36.5 | 42% | 0.416 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -87.1 | -40.8 | -178.7 | -68.4 | 178.9 | -20.9 | 0 | 0 | 113.9 | L442 S485 | L442-Q446 PolarHBondContact O-N 3.47Å; Q446-S485 WeakPolarHBondContact CG-O 3.32Å; Q446-S485 PolarHBondContact NE2-O 2.54Å; Q446-S485 PolarHBondContact NE2-OG 3.32Å |
| 447 | K | 83.3 | Confident | 94.3 | Very high | 147 Ų | 147 | 35.5 Ų | 35.5 | 64% | 0.639 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -114.3 | 42.9 | -165.9 | -61.6 | -172.2 | 178.4 | -177.4 | 0 | 113.1 | H443 | H443-K447 PolarHBondContact O-N 3.49Š|
| 448 | S | 91.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 12% | 0.119 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -143.7 | 165.5 | -179.3 | -54.4 | 0 | 0 | 0 | 0 | 113.6 | L444 Q453 | L444-S448 WeakPolarHBondContact O-CB 3.39Å; L444-S448 PolarHBondContact O-OG 3.14Å; S448-Q453 VanDerWaalsContact O-CD 3.25Å; S448-Q453 VanDerWaalsContact O-CG 3.31Å; S448-Q453 WeakPolarHBondContact O-CG 3.31Å |
| 449 | P | 93.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 37.9 Ų | 37.9 | 44% | 0.442 | 19% | 0.188 | S | C | . | . | trans | -62.7 | 154.1 | 172.5 | -21.5 | 34 | 0 | 0 | 0 | 112.6 | K451 V452 Q453 | P449-K451 VanDerWaalsContact C-N 3.29Å; P449-K451 PolarHBondContact O-N 3.13Å; P449-V452 WeakPolarHBondContact O-CA 3.46Å; P449-V452 WeakPolarHBondContact O-CB 3.39Å; P449-V452 PolarHBondContact O-N 2.85Å; P449-Q453 PolarHBondContact O-N 2.95Å; P449-Q453 VanDerWaalsContact O-N 3.13Å | ||
| 450 | A | 94.2 | Very high | 94.6 | Very high | 26 Ų | 26 | 36 Ų | 36 | 22% | 0.215 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -45 | -43.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V452 Q453 V454 A495 I497 V498 | A450-V452 VanDerWaalsContact C-N 3.33Å; A450-V452 PolarHBondContact O-N 3.2Å; A450-Q453 PolarHBondContact O-N 3.36Å; A450-V454 WeakPolarHBondContact O-CG2 3.25Å; A450-V454 PolarHBondContact O-N 3.47Å; A450-A495 HydrophobicContact CB-CB 3.58Å; A450-I497 HydrophobicContact CB-CD1 3.87Å; A450-I497 HydrophobicContact CB-CG1 4.11Å; A450-V498 HydrophobicContact CB-CG2 3.78Å |
| 451 | K | 94.7 | Very high | 94.6 | Very high | 150 Ų | 150 | 34 Ų | 34 | 65% | 0.652 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -60.6 | -39.4 | 177.8 | -69.1 | -172.3 | 176.5 | -174.6 | 0 | 113.3 | I415 P449 Q455 | I415-K451 HydrophobicContact CD1-CB 4.4Å; P449-K451 VanDerWaalsContact C-N 3.29Å; P449-K451 PolarHBondContact O-N 3.13Å; K451-Q455 PolarHBondContact O-N 3.14Å |
| 452 | V | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73.1 | -37.2 | 178 | -178 | 0 | 0 | 0 | 0 | 110 | K414 I415 L418 L444 P449 A450 Q455 A456 | K414-V452 HydrophobicContact CB-CG1 3.85Å; K414-V452 HydrophobicContact CB-CG2 4.07Å; K414-V452 HydrophobicContact CD-CG1 4.39Å; K414-V452 HydrophobicContact CD-CG2 4.36Å; I415-V452 HydrophobicContact CG1-CG2 4.22Å; L418-V452 HydrophobicContact CD1-CG1 4.05Å; L444-V452 HydrophobicContact CB-CG1 4.3Å; L444-V452 HydrophobicContact CD2-CG1 4.37Å; P449-V452 WeakPolarHBondContact O-CA 3.46Å; P449-V452 WeakPolarHBondContact O-CB 3.39Å; P449-V452 PolarHBondContact O-N 2.85Å; A450-V452 VanDerWaalsContact C-N 3.33Å; A450-V452 PolarHBondContact O-N 3.2Å; V452-Q455 PolarHBondContact O-N 3.46Å; V452-A456 VanDerWaalsContact O-CB 3.3Å; V452-A456 WeakPolarHBondContact O-CB 3.07Å; V452-A456 PolarHBondContact O-N 3.17Å |
| 453 | Q | 95.8 | Very high | 94.5 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.065 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.6 | -58.1 | -179.1 | -62.3 | 0 | 0 | 111.5 | A445 S448 P449 A450 A456 I457 V498 | A445-Q453 VanDerWaalsContact O-CG 3.25Å; A445-Q453 WeakPolarHBondContact O-CG 3.35Å; A445-Q453 PolarHBondContact O-NE2 3Å; S448-Q453 VanDerWaalsContact O-CD 3.25Å; S448-Q453 VanDerWaalsContact O-CG 3.31Å; S448-Q453 WeakPolarHBondContact O-CG 3.31Å; P449-Q453 PolarHBondContact O-N 2.95Å; P449-Q453 VanDerWaalsContact O-N 3.13Å; A450-Q453 PolarHBondContact O-N 3.36Å; Q453-A456 PolarHBondContact O-N 3.25Å; Q453-I457 WeakPolarHBondContact O-CG1 3.26Å; Q453-I457 PolarHBondContact O-N 2.76Å; Q453-V498 HydrophobicContact CB-CG1 4.42Å; Q453-V498 HydrophobicContact CB-CG2 4.13Å |
| 454 | V | 96.2 | Very high | 94.4 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 16% | 0.164 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.5 | -54.8 | 173.4 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | A450 A456 I457 E458 I497 V498 A501 | A450-V454 WeakPolarHBondContact O-CG2 3.25Å; A450-V454 PolarHBondContact O-N 3.47Å; V454-A456 PolarHBondContact O-N 2.9Å; V454-I457 PolarHBondContact O-N 2.88Å; V454-E458 PolarHBondContact O-N 2.7Å; V454-E458 VanDerWaalsContact O-N 3.13Å; V454-I497 HydrophobicContact CG2-CB 4.31Å; V454-I497 HydrophobicContact CG2-CD1 4.35Å; V454-I497 HydrophobicContact CG2-CG1 4.16Å; V454-I497 WeakPolarHBondContact CG2-O 3.44Å; V454-V498 HydrophobicContact CG2-CG2 4.23Å; V454-A501 HydrophobicContact CB-CB 4.12Å; V454-A501 HydrophobicContact CG1-CB 3.76Å; V454-A501 HydrophobicContact CG2-CB 3.87Å |
| 455 | Q | 97 | Very high | 94.2 | Very high | 34 Ų | 34 | 35.1 Ų | 35.1 | 16% | 0.159 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -37.3 | 178.2 | -173.2 | 65.6 | 30.5 | 0 | 0 | 111.8 | I415 L418 K451 V452 E458 T459 | I415-Q455 HydrophobicContact CG1-CB 4.27Å; I415-Q455 HydrophobicContact CG2-CG 4.07Å; L418-Q455 HydrophobicContact CB-CG 3.87Å; L418-Q455 HydrophobicContact CD1-CB 3.92Å; L418-Q455 HydrophobicContact CD1-CG 3.83Å; K451-Q455 PolarHBondContact O-N 3.14Å; V452-Q455 PolarHBondContact O-N 3.46Å; Q455-E458 PolarHBondContact O-N 3.23Å; Q455-T459 VanDerWaalsContact O-CB 3.24Å; Q455-T459 WeakPolarHBondContact O-CB 3.48Å; Q455-T459 PolarHBondContact O-N 3.26Å; Q455-T459 PolarHBondContact O-OG1 2.81Å |
| 456 | A | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -40.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L418 I441 L444 A445 V452 Q453 V454 T459 L460 | L418-A456 HydrophobicContact CD1-CB 3.88Å; L418-A456 HydrophobicContact CD2-CB 4.23Å; I441-A456 HydrophobicContact CG2-CB 4.36Å; I441-A456 VanDerWaalsContact CG2-O 3.3Å; I441-A456 WeakPolarHBondContact CG2-O 3.18Å; L444-A456 HydrophobicContact CB-CB 4.41Å; A445-A456 HydrophobicContact CB-CB 3.83Å; V452-A456 VanDerWaalsContact O-CB 3.3Å; V452-A456 WeakPolarHBondContact O-CB 3.07Å; V452-A456 PolarHBondContact O-N 3.17Å; Q453-A456 PolarHBondContact O-N 3.25Å; V454-A456 PolarHBondContact O-N 2.9Å; A456-T459 PolarHBondContact O-N 3.27Å; A456-L460 WeakPolarHBondContact O-CB 3.15Å; A456-L460 PolarHBondContact O-N 3.13Å |
| 457 | I | 96.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 175.2 | -65.4 | 162.7 | 0 | 0 | 0 | 110.4 | Q453 V454 T459 L460 T461 L489 V498 A501 F502 N505 | Q453-I457 WeakPolarHBondContact O-CG1 3.26Å; Q453-I457 PolarHBondContact O-N 2.76Å; V454-I457 PolarHBondContact O-N 2.88Å; I457-T459 PolarHBondContact O-N 3.35Å; I457-L460 WeakPolarHBondContact O-CB 3.34Å; I457-L460 PolarHBondContact O-N 3.31Å; I457-T461 PolarHBondContact O-N 3.04Å; I457-T461 PolarHBondContact O-OG1 3.23Å; I457-L489 HydrophobicContact CD1-CD1 3.92Å; I457-L489 HydrophobicContact CG1-CD1 4.02Å; I457-V498 HydrophobicContact CD1-CG1 4.06Å; I457-A501 HydrophobicContact CD1-CB 4.48Å; I457-F502 HydrophobicContact CD1-CB 4.29Å; I457-F502 HydrophobicContact CD1-CD2 4.34Å; I457-N505 HydrophobicContact CG2-CB 3.83Å |
| 458 | E | 96.1 | Very high | 93.9 | Very high | 55 Ų | 55 | 30.7 Ų | 30.7 | 26% | 0.257 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.5 | -42 | 179.4 | -68.6 | 178.6 | 161.7 | 0 | 0 | 111.6 | V454 Q455 T461 A462 R504 | V454-E458 PolarHBondContact O-N 2.7Å; V454-E458 VanDerWaalsContact O-N 3.13Å; Q455-E458 PolarHBondContact O-N 3.23Å; E458-T461 PolarHBondContact O-N 3.48Å; E458-A462 WeakPolarHBondContact O-CB 3.2Å; E458-A462 PolarHBondContact O-N 3.41Å; E458-A462 VanDerWaalsContact O-N 3.07Å; E458-R504 IonicContact OE1-NH1 3.69Å; E458-R504 PolarHBondContact OE1-NH1 3.31Å |
| 459 | T | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -41 | 175.8 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | L418 Q422 I441 Q455 A456 I457 A462 C463 | L418-T459 HydrophobicContact CB-CG2 4.4Å; L418-T459 HydrophobicContact CD2-CG2 4.32Å; Q422-T459 HydrophobicContact CB-CG2 3.95Å; Q422-T459 HydrophobicContact CG-CG2 4.39Å; I441-T459 HydrophobicContact CD1-CG2 3.85Å; I441-T459 HydrophobicContact CG1-CG2 4.29Å; Q455-T459 VanDerWaalsContact O-CB 3.24Å; Q455-T459 WeakPolarHBondContact O-CB 3.48Å; Q455-T459 PolarHBondContact O-N 3.26Å; Q455-T459 PolarHBondContact O-OG1 2.81Å; A456-T459 PolarHBondContact O-N 3.27Å; I457-T459 PolarHBondContact O-N 3.35Å; T459-A462 PolarHBondContact O-N 3.39Å; T459-C463 WeakPolarHBondContact O-CB 3.38Å; T459-C463 PolarHBondContact O-N 3.05Å; T459-C463 PolarHBondContact O-SG 3.46Å |
| 460 | L | 96.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -52.3 | 176.7 | 178.7 | 65.5 | 0 | 0 | 0 | 110.8 | L438 I441 L442 A456 I457 A462 C463 L464 I482 I486 L509 | L438-L460 HydrophobicContact CD1-CD1 3.28Å; I441-L460 HydrophobicContact CG2-CB 3.8Å; I441-L460 HydrophobicContact CG2-CD1 4.26Å; L442-L460 HydrophobicContact CD2-CD1 4.12Å; L442-L460 HydrophobicContact CD2-CD2 3.95Å; A456-L460 WeakPolarHBondContact O-CB 3.15Å; A456-L460 PolarHBondContact O-N 3.13Å; I457-L460 WeakPolarHBondContact O-CB 3.34Å; I457-L460 PolarHBondContact O-N 3.31Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-A462 PolarHBondContact O-N 3.13Å; L460-C463 PolarHBondContact O-N 3.1Å; L460-L464 HydrophobicContact CD1-CD1 3.67Å; L460-L464 HydrophobicContact CD1-CG 4.13Å; L460-L464 HydrophobicContact CG-CD1 3.78Å; L460-L464 WeakPolarHBondContact O-CB 3.28Å; L460-L464 VanDerWaalsContact O-CG 3.31Å; L460-L464 WeakPolarHBondContact O-CG 3.32Å; L460-L464 PolarHBondContact O-N 2.98Å; L460-I482 HydrophobicContact CD2-CG2 4.18Å; L460-I486 HydrophobicContact CD2-CD1 3.97Å; L460-I486 HydrophobicContact CD2-CG2 3.85Å; L460-L509 HydrophobicContact CD2-CD2 4.46Å; L460-L509 HydrophobicContact CG-CD2 4.36Å |
| 461 | T | 95.7 | Very high | 92 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | -179.9 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | I457 E458 G465 N505 A508 L509 | I457-T461 PolarHBondContact O-N 3.04Å; I457-T461 PolarHBondContact O-OG1 3.23Å; E458-T461 PolarHBondContact O-N 3.48Å; T461-G465 PolarHBondContact O-N 3.28Å; T461-N505 WeakPolarHBondContact CB-OD1 3.24Å; T461-N505 HydrophobicContact CG2-CB 4.4Å; T461-N505 WeakPolarHBondContact CG2-OD1 3.32Å; T461-N505 WeakPolarHBondContact OG1-CB 3.34Å; T461-N505 PolarHBondContact OG1-OD1 2.77Å; T461-A508 HydrophobicContact CG2-CB 3.51Å; T461-L509 HydrophobicContact CG2-CD2 4.43Å; T461-L509 HydrophobicContact CG2-CG 4.33Å |
| 462 | A | 95.1 | Very high | 91 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 26% | 0.256 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.6 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q422 E458 T459 L460 G465 M466 | Q422-A462 HydrophobicContact CG-CB 4.13Å; Q422-A462 VanDerWaalsContact NE2-CB 3.25Å; E458-A462 WeakPolarHBondContact O-CB 3.2Å; E458-A462 PolarHBondContact O-N 3.41Å; E458-A462 VanDerWaalsContact O-N 3.07Å; T459-A462 PolarHBondContact O-N 3.39Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-A462 PolarHBondContact O-N 3.13Å; A462-G465 PolarHBondContact O-N 2.71Å; A462-M466 WeakPolarHBondContact O-CE 3.28Å; A462-M466 WeakPolarHBondContact O-CG 3.13Å; A462-M466 PolarHBondContact O-N 2.57Å |
| 463 | C | 94.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 179 | -73.9 | 0 | 0 | 0 | 0 | 112.4 | S425 I433 I441 T459 L460 M466 | S425-C463 PolarHBondContact OG-SG 3.25Å; I433-C463 HydrophobicContact CG2-CB 4.06Å; I441-C463 HydrophobicContact CD1-CB 4.29Å; T459-C463 WeakPolarHBondContact O-CB 3.38Å; T459-C463 PolarHBondContact O-N 3.05Å; T459-C463 PolarHBondContact O-SG 3.46Å; L460-C463 PolarHBondContact O-N 3.1Å; C463-M466 WeakPolarHBondContact O-CB 3.43Å; C463-M466 PolarHBondContact O-N 3.43Å; C463-M466 VanDerWaalsContact O-N 3.15Å |
| 464 | L | 93 | Very high | 89.3 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 178.8 | -68.7 | 171 | 0 | 0 | 0 | 112.1 | L434 L438 L460 M466 V467 F478 I482 L509 F516 | L434-L464 HydrophobicContact CD2-CD2 4.32Å; L438-L464 HydrophobicContact CD1-CD2 4.44Å; L460-L464 HydrophobicContact CD1-CD1 3.67Å; L460-L464 HydrophobicContact CD1-CG 4.13Å; L460-L464 HydrophobicContact CG-CD1 3.78Å; L460-L464 WeakPolarHBondContact O-CB 3.28Å; L460-L464 VanDerWaalsContact O-CG 3.31Å; L460-L464 WeakPolarHBondContact O-CG 3.32Å; L460-L464 PolarHBondContact O-N 2.98Å; L464-M466 PolarHBondContact O-N 3.37Å; L464-V467 PolarHBondContact O-N 2.94Å; L464-V467 VanDerWaalsContact O-N 3.08Å; L464-F478 HydrophobicContact CB-CZ 4.38Å; L464-F478 HydrophobicContact CD1-CE1 4.07Å; L464-F478 HydrophobicContact CD1-CZ 3.73Å; L464-F478 HydrophobicContact CD2-CE2 4.38Å; L464-F478 HydrophobicContact CD2-CZ 4.28Å; L464-F478 HydrophobicContact CG-CZ 4.35Å; L464-I482 HydrophobicContact CD1-CD1 3.98Å; L464-I482 HydrophobicContact CD1-CG2 4.21Å; L464-I482 HydrophobicContact CD2-CD1 3.77Å; L464-L509 HydrophobicContact CD1-CD2 3.76Å; L464-F516 HydrophobicContact CD2-CZ 4.19Å |
| 465 | G | 90.6 | Very high | 88.3 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 58% | 0.577 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.6 | -15.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T461 A462 | T461-G465 PolarHBondContact O-N 3.28Å; A462-G465 PolarHBondContact O-N 2.71Å |
| 466 | M | 88.8 | Confident | 87.4 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 18% | 0.177 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -13.6 | 174.9 | -71.6 | -173.5 | -77 | 0 | 0 | 112.9 | R386 S425 K426 I433 A462 C463 L464 K468 | R386-M466 PolarHBondContact NH1-O 3.32Å; R386-M466 PolarHBondContact NH2-O 3.49Å; S425-M466 WeakPolarHBondContact OG-CE 3.4Å; K426-M466 HydrophobicContact CB-SD 4.2Å; K426-M466 HydrophobicContact CG-CE 4.26Å; K426-M466 HydrophobicContact CG-SD 3.58Å; K426-M466 VanDerWaalsContact CG-SD 3.58Å; I433-M466 HydrophobicContact CD1-CB 4.41Å; A462-M466 WeakPolarHBondContact O-CE 3.28Å; A462-M466 WeakPolarHBondContact O-CG 3.13Å; A462-M466 PolarHBondContact O-N 2.57Å; C463-M466 WeakPolarHBondContact O-CB 3.43Å; C463-M466 PolarHBondContact O-N 3.43Å; C463-M466 VanDerWaalsContact O-N 3.15Å; L464-M466 PolarHBondContact O-N 3.37Å; M466-K468 PolarHBondContact O-N 2.86Å |
| 467 | V | 89.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | trans | -71.8 | 118.3 | 179.1 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | I433 L434 L464 I470 Y515 F516 | I433-V467 HydrophobicContact CB-CG2 4.25Å; I433-V467 HydrophobicContact CD1-CG2 4.32Å; I433-V467 HydrophobicContact CG2-CG2 3.91Å; L434-V467 HydrophobicContact CD1-CG1 4.24Å; L434-V467 HydrophobicContact CD2-CG2 4.18Å; L434-V467 HydrophobicContact CG-CG2 4.38Å; L464-V467 PolarHBondContact O-N 2.94Å; L464-V467 VanDerWaalsContact O-N 3.08Å; V467-I470 HydrophobicContact CG1-CG1 3.94Å; V467-Y515 WeakPolarHBondContact O-CE1 3.23Å; V467-F516 HydrophobicContact CB-CE2 3.87Å; V467-F516 HydrophobicContact CB-CZ 3.56Å; V467-F516 HydrophobicContact CG1-CE1 4.12Å; V467-F516 HydrophobicContact CG1-CE2 3.95Å; V467-F516 HydrophobicContact CG1-CZ 3.42Å; V467-F516 VanDerWaalsContact CG1-CZ 3.42Å; V467-F516 HydrophobicContact CG2-CZ 4Å | ||
| 468 | K | 82.9 | Confident | 86.5 | Confident | 104 Ų | 104 | 40.7 Ų | 40.7 | 45% | 0.452 | 23% | 0.227 | S | C | . | . | trans | -105.9 | -46 | -179.1 | -68.7 | -174.5 | 179 | -179.9 | 0 | 111.6 | S430 M466 Y515 | S430-K468 PolarHBondContact OG-N 3.42Å; M466-K468 PolarHBondContact O-N 2.86Å; K468-Y515 PolarHBondContact O-OH 3.44Å | ||
| 469 | D | 81.2 | Confident | 86 | Confident | 114 Ų | 114 | 39.8 Ų | 39.8 | 61% | 0.61 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -105.8 | 124.8 | -178.4 | -48.7 | -60.3 | 0 | 0 | 0 | 109.5 | S430 | S430-D469 WeakPolarHBondContact CB-O 3.22Å; S430-D469 PolarHBondContact OG-N 3.16Å; S430-D469 PolarHBondContact OG-O 3.31Å |
| 470 | I | 82.5 | Confident | 85.4 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | trans | -111.4 | 118.4 | -173.3 | -59 | 170.7 | 0 | 0 | 0 | 109.2 | V467 D474 Y515 F516 E519 | V467-I470 HydrophobicContact CG1-CG1 3.94Å; I470-D474 HydrophobicContact CG2-CB 4.49Å; I470-Y515 HydrophobicContact CD1-CE1 4.35Å; I470-F516 VanDerWaalsContact CD1-CA 3.41Å; I470-F516 HydrophobicContact CD1-CB 3.78Å; I470-F516 HydrophobicContact CD1-CD1 3.56Å; I470-F516 HydrophobicContact CD1-CD2 3.68Å; I470-F516 HydrophobicContact CD1-CE1 4.06Å; I470-F516 HydrophobicContact CD1-CE2 4.17Å; I470-F516 HydrophobicContact CD1-CG 3.38Å; I470-F516 HydrophobicContact CD1-CZ 4.35Å; I470-F516 HydrophobicContact CG1-CD1 4.17Å; I470-F516 HydrophobicContact CG1-CE1 4.23Å; I470-F516 HydrophobicContact CG1-CG 4.38Å; I470-F516 HydrophobicContact CG1-CZ 4.5Å; I470-F516 HydrophobicContact CG2-CD1 4.3Å; I470-E519 HydrophobicContact CD1-CB 4.06Å; I470-E519 HydrophobicContact CD1-CG 4.36Å | ||
| 471 | P | 76.8 | Confident | 85.1 | Confident | 36 Ų | 36 | 51 Ų | 51 | 23% | 0.234 | 27% | 0.274 | C | S | . | . | trans | -59.9 | 143.5 | 171.5 | -21.9 | 33.8 | 0 | 0 | 0 | 111 | E431 S473 D474 | E431-P471 HydrophobicContact CB-CG 4.45Å; P471-S473 PolarHBondContact O-N 3.13Å; P471-S473 VanDerWaalsContact O-N 3.12Å; P471-D474 PolarHBondContact O-N 2.99Å | ||
| 472 | R | 72.5 | Confident | 85 | Confident | 187 Ų | 187 | 50.2 Ų | 50.2 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -59.9 | -26 | 179.6 | -69.7 | -178.7 | 174.6 | 164.8 | -1.3 | 113.7 | D474 N523 | R472-D474 PolarHBondContact O-N 3.02Å; R472-N523 PolarHBondContact NH2-O 2.94Å; R472-N523 VanDerWaalsContact NH2-O 3.16Å |
| 473 | S | 76.4 | Confident | 84.8 | Confident | 99 Ų | 99 | 48.8 Ų | 48.8 | 69% | 0.692 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -65 | -25.7 | 174.5 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | P471 | P471-S473 PolarHBondContact O-N 3.13Å; P471-S473 VanDerWaalsContact O-N 3.12Å |
| 474 | D | 80.6 | Confident | 84.6 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -107.8 | 8.8 | -167 | -53.3 | -16.8 | 0 | 0 | 0 | 112.2 | L434 I470 P471 R472 N476 V477 | L434-D474 HydrophobicContact CD1-CB 3.98Å; L434-D474 WeakPolarHBondContact CD1-OD2 3.47Å; I470-D474 HydrophobicContact CG2-CB 4.49Å; P471-D474 PolarHBondContact O-N 2.99Å; R472-D474 PolarHBondContact O-N 3.02Å; D474-N476 PolarHBondContact O-N 3.21Å; D474-N476 VanDerWaalsContact O-N 3.17Å; D474-V477 HydrophobicContact CB-CB 4.5Å; D474-V477 VanDerWaalsContact O-CB 3.27Å; D474-V477 WeakPolarHBondContact O-CB 3.36Å; D474-V477 WeakPolarHBondContact O-CG1 3.34Å; D474-V477 PolarHBondContact O-N 3.31Å; D474-V477 VanDerWaalsContact O-N 3.07Å |
| 475 | A | 74 | Confident | 84.5 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -46.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T520 | A475-T520 HydrophobicContact CB-CG2 3.38Š|
| 476 | N | 79.2 | Confident | 84.5 | Confident | 29 Ų | 29 | 50 Ų | 50 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 17.5 | -174.8 | -72.8 | -4 | 0 | 0 | 0 | 113.5 | D474 F478 P479 E480 | D474-N476 PolarHBondContact O-N 3.21Å; D474-N476 VanDerWaalsContact O-N 3.17Å; N476-F478 PolarHBondContact O-N 3.41Å; N476-F478 VanDerWaalsContact O-N 3.17Å; N476-P479 HydrophobicContact CB-CG 4.39Å; N476-P479 VanDerWaalsContact O-CD 3.23Å; N476-P479 WeakPolarHBondContact O-CD 3.14Å; N476-P479 WeakPolarHBondContact O-CG 3.48Å; N476-E480 HydrophobicContact CB-CG 4.05Å; N476-E480 VanDerWaalsContact CB-OE1 3.28Å; N476-E480 WeakPolarHBondContact CB-OE1 3.13Å; N476-E480 PolarHBondContact ND2-OE1 2.88Å; N476-E480 WeakPolarHBondContact O-CB 3.49Å; N476-E480 PolarHBondContact O-N 3.4Å; N476-E480 VanDerWaalsContact O-N 3.11Å |
| 477 | V | 86.4 | Confident | 84.6 | Confident | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -32 | -175.1 | 71.4 | 0 | 0 | 0 | 0 | 112.8 | L438 D474 Y481 I482 F516 | L438-V477 HydrophobicContact CD2-CG2 3.91Å; D474-V477 HydrophobicContact CB-CB 4.5Å; D474-V477 VanDerWaalsContact O-CB 3.27Å; D474-V477 WeakPolarHBondContact O-CB 3.36Å; D474-V477 WeakPolarHBondContact O-CG1 3.34Å; D474-V477 PolarHBondContact O-N 3.31Å; D474-V477 VanDerWaalsContact O-N 3.07Å; V477-Y481 HydrophobicContact CG2-CD1 4.16Å; V477-Y481 WeakPolarHBondContact O-CA 3.31Å; V477-Y481 WeakPolarHBondContact O-CB 3.12Å; V477-Y481 PolarHBondContact O-N 2.88Å; V477-I482 HydrophobicContact CG1-CD1 3.95Å; V477-I482 HydrophobicContact CG2-CD1 4.06Å; V477-I482 HydrophobicContact CG2-CG1 4.15Å; V477-I482 PolarHBondContact O-N 3.05Å; V477-F516 HydrophobicContact CG1-CD1 3.85Å; V477-F516 HydrophobicContact CG1-CE1 3.84Å |
| 478 | F | 88.4 | Confident | 84.6 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -66.7 | -61.9 | 178 | -90.7 | -90.5 | 0 | 0 | 0 | 114 | L464 N476 E480 I482 L483 A513 F516 L540 | L464-F478 HydrophobicContact CB-CZ 4.38Å; L464-F478 HydrophobicContact CD1-CE1 4.07Å; L464-F478 HydrophobicContact CD1-CZ 3.73Å; L464-F478 HydrophobicContact CD2-CE2 4.38Å; L464-F478 HydrophobicContact CD2-CZ 4.28Å; L464-F478 HydrophobicContact CG-CZ 4.35Å; N476-F478 PolarHBondContact O-N 3.41Å; N476-F478 VanDerWaalsContact O-N 3.17Å; F478-E480 PolarHBondContact O-N 3.25Å; F478-I482 HydrophobicContact CD1-CB 4.35Å; F478-I482 HydrophobicContact CD1-CD1 4.18Å; F478-I482 HydrophobicContact CD1-CG2 4.36Å; F478-I482 HydrophobicContact CD2-CD1 3.93Å; F478-I482 HydrophobicContact CE1-CD1 4.24Å; F478-I482 HydrophobicContact CE1-CG2 4.41Å; F478-I482 HydrophobicContact CE2-CD1 3.98Å; F478-I482 HydrophobicContact CG-CD1 4.04Å; F478-I482 HydrophobicContact CZ-CD1 4.15Å; F478-I482 PolarHBondContact O-N 3.34Å; F478-L483 HydrophobicContact CD1-CD2 4.45Å; F478-L483 HydrophobicContact CD1-CG 4.29Å; F478-L483 WeakPolarHBondContact O-CB 3.34Å; F478-L483 WeakPolarHBondContact O-CG 3.38Å; F478-L483 PolarHBondContact O-N 3.18Å; F478-A513 HydrophobicContact CB-CB 4.18Å; F478-A513 HydrophobicContact CD1-CB 3.46Å; F478-A513 VanDerWaalsContact CD1-CB 3.46Å; F478-A513 HydrophobicContact CD2-CB 4.31Å; F478-A513 HydrophobicContact CE1-CB 3.79Å; F478-A513 HydrophobicContact CG-CB 3.73Å; F478-A513 HydrophobicContact CZ-CB 4.34Å; F478-F516 HydrophobicContact CD2-CB 3.99Å; F478-F516 AromaticContact CD2-CD1 3.77Å; F478-F516 HydrophobicContact CD2-CD1 3.77Å; F478-F516 HydrophobicContact CD2-CD2 4.33Å; F478-F516 HydrophobicContact CD2-CE1 4.29Å; F478-F516 AromaticContact CD2-CG 3.78Å; F478-F516 HydrophobicContact CD2-CG 3.78Å; F478-F516 HydrophobicContact CE2-CB 4.12Å; F478-F516 AromaticContact CE2-CD1 3.68Å; F478-F516 HydrophobicContact CE2-CD1 3.68Å; F478-F516 AromaticContact CE2-CD2 3.62Å; F478-F516 HydrophobicContact CE2-CD2 3.62Å; F478-F516 AromaticContact CE2-CE1 3.88Å; F478-F516 HydrophobicContact CE2-CE1 3.88Å; F478-F516 AromaticContact CE2-CE2 3.83Å; F478-F516 HydrophobicContact CE2-CE2 3.83Å; F478-F516 AromaticContact CE2-CG 3.52Å; F478-F516 HydrophobicContact CE2-CG 3.52Å; F478-F516 AromaticContact CE2-CZ 3.93Å; F478-F516 HydrophobicContact CE2-CZ 3.93Å; F478-L540 HydrophobicContact CB-CD2 4.31Å |
| 479 | P | 84.3 | Confident | 85 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 23% | 0.234 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -68.9 | -31.6 | -177.7 | 26.2 | -34.7 | 0 | 0 | 0 | 113 | N476 P484 L540 I543 | N476-P479 HydrophobicContact CB-CG 4.39Å; N476-P479 VanDerWaalsContact O-CD 3.23Å; N476-P479 WeakPolarHBondContact O-CD 3.14Å; N476-P479 WeakPolarHBondContact O-CG 3.48Å; P479-P484 VanDerWaalsContact O-CD 3.28Å; P479-P484 WeakPolarHBondContact O-CD 3.49Å; P479-P484 WeakPolarHBondContact O-CG 3.3Å; P479-L540 HydrophobicContact CB-CD2 4.24Å; P479-I543 HydrophobicContact CB-CD1 4.49Å |
| 480 | E | 85.3 | Confident | 85.4 | Confident | 140 Ų | 140 | 44.9 Ų | 44.9 | 65% | 0.654 | 24% | 0.235 | S | C | * | . | I | π-helix | trans | -90.4 | -27.7 | -174.2 | -65.2 | 179.4 | -164.5 | 0 | 0 | 113.6 | N476 F478 | N476-E480 HydrophobicContact CB-CG 4.05Å; N476-E480 VanDerWaalsContact CB-OE1 3.28Å; N476-E480 WeakPolarHBondContact CB-OE1 3.13Å; N476-E480 PolarHBondContact ND2-OE1 2.88Å; N476-E480 WeakPolarHBondContact O-CB 3.49Å; N476-E480 PolarHBondContact O-N 3.4Å; N476-E480 VanDerWaalsContact O-N 3.11Å; F478-E480 PolarHBondContact O-N 3.25Å |
| 481 | Y | 89.3 | Confident | 85.7 | Confident | 97 Ų | 97 | 46.9 Ų | 46.9 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -127.8 | -54.7 | -171.2 | -171.3 | -130.3 | 0 | 0 | 0 | 113.9 | L438 L442 V477 S485 | L438-Y481 HydrophobicContact CD2-CD1 4.35Å; L438-Y481 HydrophobicContact CD2-CE1 4.47Å; L438-Y481 HydrophobicContact CG-CE1 4.49Å; L442-Y481 HydrophobicContact CD1-CD1 3.78Å; L442-Y481 HydrophobicContact CD1-CE1 3.42Å; L442-Y481 VanDerWaalsContact CD1-CE1 3.42Å; L442-Y481 HydrophobicContact CD1-CE2 4.36Å; L442-Y481 HydrophobicContact CD1-CG 4.39Å; V477-Y481 HydrophobicContact CG2-CD1 4.16Å; V477-Y481 WeakPolarHBondContact O-CA 3.31Å; V477-Y481 WeakPolarHBondContact O-CB 3.12Å; V477-Y481 PolarHBondContact O-N 2.88Å; Y481-S485 VanDerWaalsContact O-CB 3.23Å; Y481-S485 WeakPolarHBondContact O-CB 3.36Å; Y481-S485 PolarHBondContact O-N 2.79Å; Y481-S485 PolarHBondContact O-OG 3.08Å |
| 482 | I | 93.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -70.6 | -59.3 | -172.3 | -60 | 167.8 | 0 | 0 | 0 | 111 | L438 L460 L464 V477 F478 S485 I486 | L438-I482 HydrophobicContact CD1-CD1 4.42Å; L438-I482 HydrophobicContact CD1-CG1 4.26Å; L438-I482 HydrophobicContact CD2-CD1 3.99Å; L438-I482 HydrophobicContact CD2-CG1 3.99Å; L460-I482 HydrophobicContact CD2-CG2 4.18Å; L464-I482 HydrophobicContact CD1-CD1 3.98Å; L464-I482 HydrophobicContact CD1-CG2 4.21Å; L464-I482 HydrophobicContact CD2-CD1 3.77Å; V477-I482 HydrophobicContact CG1-CD1 3.95Å; V477-I482 HydrophobicContact CG2-CD1 4.06Å; V477-I482 HydrophobicContact CG2-CG1 4.15Å; V477-I482 PolarHBondContact O-N 3.05Å; F478-I482 HydrophobicContact CD1-CB 4.35Å; F478-I482 HydrophobicContact CD1-CD1 4.18Å; F478-I482 HydrophobicContact CD1-CG2 4.36Å; F478-I482 HydrophobicContact CD2-CD1 3.93Å; F478-I482 HydrophobicContact CE1-CD1 4.24Å; F478-I482 HydrophobicContact CE1-CG2 4.41Å; F478-I482 HydrophobicContact CE2-CD1 3.98Å; F478-I482 HydrophobicContact CG-CD1 4.04Å; F478-I482 HydrophobicContact CZ-CD1 4.15Å; F478-I482 PolarHBondContact O-N 3.34Å; I482-S485 WeakPolarHBondContact O-CB 3.39Å; I482-S485 PolarHBondContact O-N 3.3Å; I482-S485 VanDerWaalsContact O-N 3.08Å; I482-I486 HydrophobicContact CG2-CD1 4.11Å; I482-I486 WeakPolarHBondContact O-CG1 3.31Å; I482-I486 PolarHBondContact O-N 3.1Å |
| 483 | L | 91.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -46.9 | -173.9 | -64.5 | 176.5 | 0 | 0 | 0 | 112.4 | F478 S485 I486 T487 L540 I543 V544 | F478-L483 HydrophobicContact CD1-CD2 4.45Å; F478-L483 HydrophobicContact CD1-CG 4.29Å; F478-L483 WeakPolarHBondContact O-CB 3.34Å; F478-L483 WeakPolarHBondContact O-CG 3.38Å; F478-L483 PolarHBondContact O-N 3.18Å; L483-S485 PolarHBondContact O-N 3.32Å; L483-S485 VanDerWaalsContact O-N 3.12Å; L483-I486 HydrophobicContact CD2-CD1 4.42Å; L483-I486 PolarHBondContact O-N 2.66Å; L483-I486 VanDerWaalsContact O-N 3.12Å; L483-T487 WeakPolarHBondContact O-CB 3.19Å; L483-T487 PolarHBondContact O-N 2.91Å; L483-T487 PolarHBondContact O-OG1 3.27Å; L483-L540 HydrophobicContact CD1-CD2 3.62Å; L483-I543 HydrophobicContact CB-CG2 3.86Å; L483-I543 HydrophobicContact CD1-CB 4.37Å; L483-I543 HydrophobicContact CD1-CD1 4.44Å; L483-I543 HydrophobicContact CD1-CG2 4.04Å; L483-I543 HydrophobicContact CG-CG2 4.49Å; L483-V544 HydrophobicContact CD1-CG2 4.4Å |
| 484 | P | 90.4 | Very high | 86.9 | Confident | 65 Ų | 65 | 45 Ų | 45 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.5 | -29.9 | 175.3 | -24.6 | 35.3 | 0 | 0 | 0 | 112.7 | P479 | P479-P484 VanDerWaalsContact O-CD 3.28Å; P479-P484 WeakPolarHBondContact O-CD 3.49Å; P479-P484 WeakPolarHBondContact O-CG 3.3Å |
| 485 | S | 90 | Very high | 87.3 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -77.1 | -24 | -178.6 | -65.9 | 0 | 0 | 0 | 0 | 114.4 | Q446 Y481 I482 L483 | Q446-S485 WeakPolarHBondContact CG-O 3.32Å; Q446-S485 PolarHBondContact NE2-O 2.54Å; Q446-S485 PolarHBondContact NE2-OG 3.32Å; Y481-S485 VanDerWaalsContact O-CB 3.23Å; Y481-S485 WeakPolarHBondContact O-CB 3.36Å; Y481-S485 PolarHBondContact O-N 2.79Å; Y481-S485 PolarHBondContact O-OG 3.08Å; I482-S485 WeakPolarHBondContact O-CB 3.39Å; I482-S485 PolarHBondContact O-N 3.3Å; I482-S485 VanDerWaalsContact O-N 3.08Å; L483-S485 PolarHBondContact O-N 3.32Å; L483-S485 VanDerWaalsContact O-N 3.12Å |
| 486 | I | 91.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -116.6 | -16.6 | -172.5 | 67.8 | 177.7 | 0 | 0 | 0 | 114 | L442 L460 I482 L483 D488 L489 F502 L509 | L442-I486 HydrophobicContact CD2-CG2 3.73Å; L460-I486 HydrophobicContact CD2-CD1 3.97Å; L460-I486 HydrophobicContact CD2-CG2 3.85Å; I482-I486 HydrophobicContact CG2-CD1 4.11Å; I482-I486 WeakPolarHBondContact O-CG1 3.31Å; I482-I486 PolarHBondContact O-N 3.1Å; L483-I486 HydrophobicContact CD2-CD1 4.42Å; L483-I486 PolarHBondContact O-N 2.66Å; L483-I486 VanDerWaalsContact O-N 3.12Å; I486-D488 VanDerWaalsContact C-N 3.27Å; I486-D488 PolarHBondContact O-N 3.47Å; I486-L489 HydrophobicContact CB-CD1 4.19Å; I486-L489 HydrophobicContact CG2-CD1 4.46Å; I486-L489 WeakPolarHBondContact O-CB 3.46Å; I486-L489 WeakPolarHBondContact O-CG 3.45Å; I486-L489 PolarHBondContact O-N 3.41Å; I486-F502 HydrophobicContact CB-CE2 4.14Å; I486-F502 HydrophobicContact CD1-CE2 4.12Å; I486-F502 HydrophobicContact CG1-CE2 3.96Å; I486-F502 VanDerWaalsContact O-CE2 3.27Å; I486-F502 WeakPolarHBondContact O-CE2 3.42Å; I486-L509 HydrophobicContact CD1-CD1 3.75Å |
| 487 | T | 90.3 | Very high | 89.1 | Confident | 23 Ų | 23 | 49 Ų | 49 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -64 | -33.7 | -172.9 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | L483 L489 A490 A547 | L483-T487 WeakPolarHBondContact O-CB 3.19Å; L483-T487 PolarHBondContact O-N 2.91Å; L483-T487 PolarHBondContact O-OG1 3.27Å; T487-L489 PolarHBondContact O-N 2.91Å; T487-L489 VanDerWaalsContact O-N 3.16Å; T487-A490 VanDerWaalsContact O-CB 3.26Å; T487-A490 WeakPolarHBondContact O-CB 3.44Å; T487-A490 PolarHBondContact O-N 3.43Å; T487-A547 HydrophobicContact CG2-CB 4Å |
| 488 | D | 90.9 | Very high | 89.5 | Confident | 119 Ų | 119 | 48.1 Ų | 48.1 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -62.2 | -21.6 | 175.6 | -65.4 | -17.3 | 0 | 0 | 0 | 112.8 | I486 A490 S491 E492 | I486-D488 VanDerWaalsContact C-N 3.27Å; I486-D488 PolarHBondContact O-N 3.47Å; D488-A490 PolarHBondContact O-N 3Å; D488-S491 PolarHBondContact O-N 3.27Å; D488-S491 PolarHBondContact O-OG 2.96Å; D488-E492 PolarHBondContact O-N 2.93Å |
| 489 | L | 91 | Very high | 89.8 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -69.3 | -20.3 | 176.5 | -56 | 174.6 | 0 | 0 | 0 | 112.3 | A445 I457 I486 T487 S491 V498 F502 | A445-L489 HydrophobicContact CB-CD1 4.25Å; I457-L489 HydrophobicContact CD1-CD1 3.92Å; I457-L489 HydrophobicContact CG1-CD1 4.02Å; I486-L489 HydrophobicContact CB-CD1 4.19Å; I486-L489 HydrophobicContact CG2-CD1 4.46Å; I486-L489 WeakPolarHBondContact O-CB 3.46Å; I486-L489 WeakPolarHBondContact O-CG 3.45Å; I486-L489 PolarHBondContact O-N 3.41Å; T487-L489 PolarHBondContact O-N 2.91Å; T487-L489 VanDerWaalsContact O-N 3.16Å; L489-S491 VanDerWaalsContact C-N 3.27Å; L489-S491 PolarHBondContact O-N 2.87Å; L489-V498 HydrophobicContact CB-CG1 4.03Å; L489-V498 HydrophobicContact CD2-CG1 4.28Å; L489-F502 HydrophobicContact CB-CD2 4.18Å |
| 490 | A | 89.8 | Confident | 90.3 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -69.1 | -27.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T487 D488 R499 F502 A547 L551 | T487-A490 VanDerWaalsContact O-CB 3.26Å; T487-A490 WeakPolarHBondContact O-CB 3.44Å; T487-A490 PolarHBondContact O-N 3.43Å; D488-A490 PolarHBondContact O-N 3Å; A490-R499 WeakPolarHBondContact O-CD 3.37Å; A490-F502 HydrophobicContact CB-CD1 3.73Å; A490-F502 HydrophobicContact CB-CE1 3.66Å; A490-F502 HydrophobicContact CB-CG 4.44Å; A490-F502 HydrophobicContact CB-CZ 4.29Å; A490-A547 HydrophobicContact CB-CB 4.26Å; A490-L551 HydrophobicContact CB-CD2 4.31Å; A490-L551 HydrophobicContact CB-CG 4.47Å |
| 491 | S | 88.6 | Confident | 90.8 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 43% | 0.427 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -108.6 | 12.4 | -178.9 | 55.6 | 0 | 0 | 0 | 0 | 113 | D488 L489 T493 | D488-S491 PolarHBondContact O-N 3.27Å; D488-S491 PolarHBondContact O-OG 2.96Å; L489-S491 VanDerWaalsContact C-N 3.27Å; L489-S491 PolarHBondContact O-N 2.87Å; S491-T493 PolarHBondContact O-N 3.46Å; S491-T493 PolarHBondContact O-OG1 3.14Å |
| 492 | E | 86.8 | Confident | 91.1 | Very high | 57 Ų | 57 | 37 Ų | 37 | 27% | 0.266 | 22% | 0.22 | S | C | . | . | trans | -61.8 | 104 | -179.2 | -178.6 | 57 | -119.9 | 0 | 0 | 111.6 | D488 S494 R499 | D488-E492 PolarHBondContact O-N 2.93Å; E492-S494 VanDerWaalsContact C-N 3.32Å; E492-S494 PolarHBondContact O-N 2.84Å; E492-S494 WeakPolarHBondContact OE1-CB 3.49Å; E492-S494 PolarHBondContact OE1-N 3.21Å; E492-S494 PolarHBondContact OE1-OG 3.28Å; E492-R499 HydrophobicContact CB-CG 4.47Å; E492-R499 WeakPolarHBondContact O-CD 3.47Å | ||
| 493 | T | 80.6 | Confident | 91.2 | Very high | 126 Ų | 126 | 37 Ų | 37 | 77% | 0.773 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.7 | -175.5 | -49.3 | 0 | 0 | 0 | 0 | 112.5 | S491 A495 | S491-T493 PolarHBondContact O-N 3.46Å; S491-T493 PolarHBondContact O-OG1 3.14Å; T493-A495 PolarHBondContact O-N 3.02Å |
| 494 | S | 82.8 | Confident | 91.4 | Very high | 100 Ų | 100 | 42.4 Ų | 42.4 | 70% | 0.699 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -23.3 | -171.5 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | E492 | E492-S494 VanDerWaalsContact C-N 3.32Å; E492-S494 PolarHBondContact O-N 2.84Å; E492-S494 WeakPolarHBondContact OE1-CB 3.49Å; E492-S494 PolarHBondContact OE1-N 3.21Å; E492-S494 PolarHBondContact OE1-OG 3.28Å |
| 495 | A | 89.5 | Confident | 91.7 | Very high | 10 Ų | 10 | 40.1 Ų | 40.1 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | trans | -144 | 100.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A450 T493 I497 V498 | A450-A495 HydrophobicContact CB-CB 3.58Å; T493-A495 PolarHBondContact O-N 3.02Å; A495-I497 HydrophobicContact CB-CG1 4.37Å; A495-I497 PolarHBondContact O-N 2.86Å; A495-V498 HydrophobicContact CB-CB 4.3Å; A495-V498 HydrophobicContact CB-CG2 3.72Å; A495-V498 PolarHBondContact O-N 2.93Å; A495-V498 VanDerWaalsContact O-N 3.09Å | ||
| 496 | V | 94.5 | Very high | 91.9 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56.1 | -37.9 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | V498 R499 V500 Q556 V558 V559 | V496-V498 PolarHBondContact O-N 3.36Å; V496-R499 PolarHBondContact O-N 2.94Å; V496-V500 HydrophobicContact CG1-CG2 4.22Å; V496-V500 WeakPolarHBondContact O-CG2 3.35Å; V496-V500 PolarHBondContact O-N 3.42Å; V496-Q556 HydrophobicContact CG1-CB 4.14Å; V496-Q556 HydrophobicContact CG1-CG 4.07Å; V496-Q556 HydrophobicContact CG2-CG 3.92Å; V496-V558 HydrophobicContact CG1-CG1 3.88Å; V496-V559 HydrophobicContact CG1-CG2 3.99Å |
| 497 | I | 95.1 | Very high | 92 | Very high | 91 Ų | 91 | 39.3 Ų | 39.3 | 47% | 0.467 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.8 | -30.6 | -179.9 | 61 | 172.2 | 0 | 0 | 0 | 113.3 | A450 V454 A495 A501 | A450-I497 HydrophobicContact CB-CD1 3.87Å; A450-I497 HydrophobicContact CB-CG1 4.11Å; V454-I497 HydrophobicContact CG2-CB 4.31Å; V454-I497 HydrophobicContact CG2-CD1 4.35Å; V454-I497 HydrophobicContact CG2-CG1 4.16Å; V454-I497 WeakPolarHBondContact CG2-O 3.44Å; A495-I497 HydrophobicContact CB-CG1 4.37Å; A495-I497 PolarHBondContact O-N 2.86Å; I497-A501 WeakPolarHBondContact O-CB 3.45Å; I497-A501 PolarHBondContact O-N 3.24Å |
| 498 | V | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72 | -45.3 | 178.1 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | A450 Q453 V454 I457 L489 A495 V496 V500 A501 F502 | A450-V498 HydrophobicContact CB-CG2 3.78Å; Q453-V498 HydrophobicContact CB-CG1 4.42Å; Q453-V498 HydrophobicContact CB-CG2 4.13Å; V454-V498 HydrophobicContact CG2-CG2 4.23Å; I457-V498 HydrophobicContact CD1-CG1 4.06Å; L489-V498 HydrophobicContact CB-CG1 4.03Å; L489-V498 HydrophobicContact CD2-CG1 4.28Å; A495-V498 HydrophobicContact CB-CB 4.3Å; A495-V498 HydrophobicContact CB-CG2 3.72Å; A495-V498 PolarHBondContact O-N 2.93Å; A495-V498 VanDerWaalsContact O-N 3.09Å; V496-V498 PolarHBondContact O-N 3.36Å; V498-V500 VanDerWaalsContact C-N 3.33Å; V498-V500 PolarHBondContact O-N 3.41Å; V498-A501 PolarHBondContact O-N 3.22Å; V498-F502 WeakPolarHBondContact O-CB 3.3Å; V498-F502 PolarHBondContact O-N 3.31Å |
| 499 | R | 95.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 8% | 0.083 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 176 | -59.9 | -171.8 | -61.2 | -177.2 | 10.2 | 112.3 | A490 E492 V496 F502 A503 L551 D554 V559 | A490-R499 WeakPolarHBondContact O-CD 3.37Å; E492-R499 HydrophobicContact CB-CG 4.47Å; E492-R499 WeakPolarHBondContact O-CD 3.47Å; V496-R499 PolarHBondContact O-N 2.94Å; R499-F502 PolarHBondContact O-N 3.38Å; R499-A503 WeakPolarHBondContact O-CB 3.42Å; R499-A503 PolarHBondContact O-N 3.32Å; R499-L551 HydrophobicContact CB-CD2 4.43Å; R499-D554 IonicContact CZ-OD1 3.97Å; R499-D554 IonicContact CZ-OD2 3.12Å; R499-D554 IonicContact NE-OD2 3.83Å; R499-D554 PolarHBondContact NE-OD2 3.42Å; R499-D554 IonicContact NH1-OD1 2.79Å; R499-D554 IonicContact NH1-OD2 3.26Å; R499-D554 PolarHBondContact NH1-OD2 3.4Å; R499-D554 IonicContact NH2-OD1 3.4Å; R499-D554 PolarHBondContact NH2-OD1 3.08Å; R499-D554 IonicContact NH2-OD2 3.79Å; R499-D554 PolarHBondContact NH2-OD2 2.89Å; R499-D554 VanDerWaalsContact NH2-OD2 3.11Å; R499-V559 HydrophobicContact CB-CG1 4.25Å; R499-V559 HydrophobicContact CB-CG2 4.06Å |
| 500 | V | 95.8 | Very high | 92.5 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 172.3 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | V496 V498 F502 A503 R504 V558 V559 T562 | V496-V500 HydrophobicContact CG1-CG2 4.22Å; V496-V500 WeakPolarHBondContact O-CG2 3.35Å; V496-V500 PolarHBondContact O-N 3.42Å; V498-V500 VanDerWaalsContact C-N 3.33Å; V498-V500 PolarHBondContact O-N 3.41Å; V500-F502 VanDerWaalsContact C-N 3.33Å; V500-F502 PolarHBondContact O-N 3.19Å; V500-A503 PolarHBondContact O-N 3.23Å; V500-R504 PolarHBondContact O-N 2.88Å; V500-V558 HydrophobicContact CG2-CG1 3.94Å; V500-V558 HydrophobicContact CG2-CG2 4.23Å; V500-V559 HydrophobicContact CG2-CG2 3.78Å; V500-T562 HydrophobicContact CG1-CG2 4.14Å |
| 501 | A | 95.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V454 I457 I497 V498 R504 N505 | V454-A501 HydrophobicContact CB-CB 4.12Å; V454-A501 HydrophobicContact CG1-CB 3.76Å; V454-A501 HydrophobicContact CG2-CB 3.87Å; I457-A501 HydrophobicContact CD1-CB 4.48Å; I497-A501 WeakPolarHBondContact O-CB 3.45Å; I497-A501 PolarHBondContact O-N 3.24Å; V498-A501 PolarHBondContact O-N 3.22Å; A501-R504 PolarHBondContact O-N 3.01Å; A501-N505 PolarHBondContact O-N 3.04Å; A501-N505 PolarHBondContact O-ND2 3.5Å |
| 502 | F | 95.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.1 | -166.7 | -89.4 | 0 | 0 | 0 | 111.6 | I457 I486 L489 A490 V498 R499 V500 R504 N505 I506 A547 L551 | I457-F502 HydrophobicContact CD1-CB 4.29Å; I457-F502 HydrophobicContact CD1-CD2 4.34Å; I486-F502 HydrophobicContact CB-CE2 4.14Å; I486-F502 HydrophobicContact CD1-CE2 4.12Å; I486-F502 HydrophobicContact CG1-CE2 3.96Å; I486-F502 VanDerWaalsContact O-CE2 3.27Å; I486-F502 WeakPolarHBondContact O-CE2 3.42Å; L489-F502 HydrophobicContact CB-CD2 4.18Å; A490-F502 HydrophobicContact CB-CD1 3.73Å; A490-F502 HydrophobicContact CB-CE1 3.66Å; A490-F502 HydrophobicContact CB-CG 4.44Å; A490-F502 HydrophobicContact CB-CZ 4.29Å; V498-F502 WeakPolarHBondContact O-CB 3.3Å; V498-F502 PolarHBondContact O-N 3.31Å; R499-F502 PolarHBondContact O-N 3.38Å; V500-F502 VanDerWaalsContact C-N 3.33Å; V500-F502 PolarHBondContact O-N 3.19Å; F502-R504 VanDerWaalsContact C-N 3.29Å; F502-R504 PolarHBondContact O-N 2.97Å; F502-N505 PolarHBondContact O-N 3.44Å; F502-I506 HydrophobicContact CD1-CB 4.4Å; F502-I506 HydrophobicContact CE1-CB 4.11Å; F502-I506 HydrophobicContact CE1-CD1 3.83Å; F502-I506 HydrophobicContact CE1-CG1 4.05Å; F502-I506 HydrophobicContact CZ-CD1 3.82Å; F502-I506 PolarHBondContact O-N 3.09Å; F502-A547 HydrophobicContact CE1-CB 4Å; F502-A547 HydrophobicContact CZ-CB 4.36Å; F502-L551 HydrophobicContact CD1-CD1 4.04Å; F502-L551 HydrophobicContact CD1-CD2 4.47Å; F502-L551 HydrophobicContact CE1-CD1 4.48Å |
| 503 | A | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -36.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | R499 V500 N505 L551 V559 T562 L563 | R499-A503 WeakPolarHBondContact O-CB 3.42Å; R499-A503 PolarHBondContact O-N 3.32Å; V500-A503 PolarHBondContact O-N 3.23Å; A503-N505 VanDerWaalsContact C-N 3.3Å; A503-N505 PolarHBondContact O-N 3.31Å; A503-L551 HydrophobicContact CB-CD1 3.95Å; A503-L551 HydrophobicContact CB-CD2 4.27Å; A503-V559 HydrophobicContact CB-CG1 4.37Å; A503-T562 HydrophobicContact CB-CG2 4.3Å; A503-L563 HydrophobicContact CB-CB 4.17Å |
| 504 | R | 95.7 | Very high | 93.4 | Very high | 115 Ų | 115 | 31.2 Ų | 31.2 | 43% | 0.434 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.8 | -30.7 | 175.7 | -171.2 | -178 | -63.3 | 140.7 | 1.3 | 113 | E458 V500 A501 F502 T562 | E458-R504 IonicContact OE1-NH1 3.69Å; E458-R504 PolarHBondContact OE1-NH1 3.31Å; V500-R504 PolarHBondContact O-N 2.88Å; A501-R504 PolarHBondContact O-N 3.01Å; F502-R504 VanDerWaalsContact C-N 3.29Å; F502-R504 PolarHBondContact O-N 2.97Å; R504-T562 HydrophobicContact CB-CG2 3.93Å |
| 505 | N | 95.9 | Very high | 93.7 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -105.8 | -21.4 | -167.8 | -78.7 | -84.1 | 0 | 0 | 0 | 114.5 | I457 T461 A501 F502 A503 A507 A508 L509 | I457-N505 HydrophobicContact CG2-CB 3.83Å; T461-N505 WeakPolarHBondContact CB-OD1 3.24Å; T461-N505 HydrophobicContact CG2-CB 4.4Å; T461-N505 WeakPolarHBondContact CG2-OD1 3.32Å; T461-N505 WeakPolarHBondContact OG1-CB 3.34Å; T461-N505 PolarHBondContact OG1-OD1 2.77Å; A501-N505 PolarHBondContact O-N 3.04Å; A501-N505 PolarHBondContact O-ND2 3.5Å; F502-N505 PolarHBondContact O-N 3.44Å; A503-N505 VanDerWaalsContact C-N 3.3Å; A503-N505 PolarHBondContact O-N 3.31Å; N505-A507 VanDerWaalsContact C-N 3.27Å; N505-A507 PolarHBondContact O-N 2.87Å; N505-A508 PolarHBondContact O-N 3.4Å; N505-A508 VanDerWaalsContact O-N 3.13Å; N505-L509 HydrophobicContact CB-CD1 4.46Å; N505-L509 PolarHBondContact O-N 3.37Å |
| 506 | I | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.8 | -36 | -172.4 | -173.4 | 56 | 0 | 0 | 0 | 113.5 | F502 L509 A510 V544 V548 L551 L563 L571 | F502-I506 HydrophobicContact CD1-CB 4.4Å; F502-I506 HydrophobicContact CE1-CB 4.11Å; F502-I506 HydrophobicContact CE1-CD1 3.83Å; F502-I506 HydrophobicContact CE1-CG1 4.05Å; F502-I506 HydrophobicContact CZ-CD1 3.82Å; F502-I506 PolarHBondContact O-N 3.09Å; I506-L509 PolarHBondContact O-N 3.01Å; I506-A510 WeakPolarHBondContact O-CB 3.19Å; I506-A510 PolarHBondContact O-N 3.04Å; I506-V544 HydrophobicContact CD1-CG1 4.31Å; I506-V544 HydrophobicContact CG1-CG1 4.27Å; I506-V548 HydrophobicContact CG1-CG2 4.3Å; I506-L551 HydrophobicContact CG2-CD1 4.3Å; I506-L563 HydrophobicContact CG2-CD1 3.9Å; I506-L571 HydrophobicContact CG2-CD1 4.34Å |
| 507 | A | 93.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N505 L509 A510 K511 G567 D570 L571 | N505-A507 VanDerWaalsContact C-N 3.27Å; N505-A507 PolarHBondContact O-N 2.87Å; A507-L509 VanDerWaalsContact C-N 3.35Å; A507-A510 PolarHBondContact O-N 3.28Å; A507-K511 PolarHBondContact O-N 2.9Å; A507-G567 VanDerWaalsContact CB-CA 3.5Å; A507-D570 HydrophobicContact CB-CB 4Å; A507-L571 HydrophobicContact CB-CD2 4.33Å; A507-L571 HydrophobicContact CB-CG 4Å |
| 508 | A | 94.7 | Very high | 92.8 | Very high | 39 Ų | 39 | 26.9 Ų | 26.9 | 32% | 0.322 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -67.1 | -36.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T461 N505 K511 S512 | T461-A508 HydrophobicContact CG2-CB 3.51Å; N505-A508 PolarHBondContact O-N 3.4Å; N505-A508 VanDerWaalsContact O-N 3.13Å; A508-K511 PolarHBondContact O-N 3.45Å; A508-S512 WeakPolarHBondContact O-CB 3.36Å; A508-S512 PolarHBondContact O-N 3.4Å; A508-S512 PolarHBondContact O-OG 3.02Å |
| 509 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 172.9 | -70.9 | 170.1 | 0 | 0 | 0 | 111.8 | L460 T461 L464 I486 N505 I506 A507 S512 A513 | L460-L509 HydrophobicContact CD2-CD2 4.46Å; L460-L509 HydrophobicContact CG-CD2 4.36Å; T461-L509 HydrophobicContact CG2-CD2 4.43Å; T461-L509 HydrophobicContact CG2-CG 4.33Å; L464-L509 HydrophobicContact CD1-CD2 3.76Å; I486-L509 HydrophobicContact CD1-CD1 3.75Å; N505-L509 HydrophobicContact CB-CD1 4.46Å; N505-L509 PolarHBondContact O-N 3.37Å; I506-L509 PolarHBondContact O-N 3.01Å; A507-L509 VanDerWaalsContact C-N 3.35Å; L509-S512 PolarHBondContact O-N 3.03Å; L509-A513 WeakPolarHBondContact O-CB 3.37Å; L509-A513 PolarHBondContact O-N 3.32Å |
| 510 | A | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I506 A507 S512 A513 V514 V544 L571 F574 | I506-A510 WeakPolarHBondContact O-CB 3.19Å; I506-A510 PolarHBondContact O-N 3.04Å; A507-A510 PolarHBondContact O-N 3.28Å; A510-S512 VanDerWaalsContact C-N 3.34Å; A510-S512 PolarHBondContact O-N 2.73Å; A510-A513 WeakPolarHBondContact O-CB 3.34Å; A510-A513 PolarHBondContact O-N 3.05Å; A510-V514 WeakPolarHBondContact O-CG2 3.27Å; A510-V514 PolarHBondContact O-N 3.27Å; A510-V544 HydrophobicContact CB-CG1 4.28Å; A510-V544 HydrophobicContact CB-CG2 4.47Å; A510-L571 HydrophobicContact CB-CD2 4.44Å; A510-F574 HydrophobicContact CB-CD1 4.28Å; A510-F574 HydrophobicContact CB-CD2 3.93Å; A510-F574 HydrophobicContact CB-CE1 4.36Å; A510-F574 HydrophobicContact CB-CE2 4.05Å; A510-F574 HydrophobicContact CB-CG 4.06Å; A510-F574 HydrophobicContact CB-CZ 4.27Å |
| 511 | K | 91.6 | Very high | 90.7 | Very high | 140 Ų | 140 | 31.1 Ų | 31.1 | 61% | 0.609 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -60.8 | -42.5 | 174 | -174.3 | 176.7 | -178.7 | 175.1 | 0 | 112.3 | A507 A508 A513 V514 Y515 | A507-K511 PolarHBondContact O-N 2.9Å; A508-K511 PolarHBondContact O-N 3.45Å; K511-A513 VanDerWaalsContact C-N 3.35Å; K511-V514 PolarHBondContact O-N 3.31Å; K511-Y515 PolarHBondContact O-N 3.35Å |
| 512 | S | 92.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 11% | 0.112 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.7 | -39.6 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | A508 L509 A510 V514 Y515 F516 | A508-S512 WeakPolarHBondContact O-CB 3.36Å; A508-S512 PolarHBondContact O-N 3.4Å; A508-S512 PolarHBondContact O-OG 3.02Å; L509-S512 PolarHBondContact O-N 3.03Å; A510-S512 VanDerWaalsContact C-N 3.34Å; A510-S512 PolarHBondContact O-N 2.73Å; S512-V514 PolarHBondContact O-N 3.32Å; S512-Y515 WeakPolarHBondContact O-CB 3.27Å; S512-Y515 PolarHBondContact O-N 3.32Å; S512-F516 WeakPolarHBondContact O-CD2 3.47Å; S512-F516 PolarHBondContact O-N 3.47Å |
| 513 | A | 91.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F478 L509 A510 K511 F516 L517 L540 | F478-A513 HydrophobicContact CB-CB 4.18Å; F478-A513 HydrophobicContact CD1-CB 3.46Å; F478-A513 VanDerWaalsContact CD1-CB 3.46Å; F478-A513 HydrophobicContact CD2-CB 4.31Å; F478-A513 HydrophobicContact CE1-CB 3.79Å; F478-A513 HydrophobicContact CG-CB 3.73Å; F478-A513 HydrophobicContact CZ-CB 4.34Å; L509-A513 WeakPolarHBondContact O-CB 3.37Å; L509-A513 PolarHBondContact O-N 3.32Å; A510-A513 WeakPolarHBondContact O-CB 3.34Å; A510-A513 PolarHBondContact O-N 3.05Å; K511-A513 VanDerWaalsContact C-N 3.35Å; A513-F516 PolarHBondContact O-N 3.05Å; A513-L517 PolarHBondContact O-N 3.15Å; A513-L540 HydrophobicContact CB-CD1 4.22Å; A513-L540 HydrophobicContact CB-CD2 4.17Å |
| 514 | V | 89.4 | Confident | 87.4 | Confident | 26 Ų | 26 | 43.7 Ų | 43.7 | 16% | 0.158 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | A510 K511 S512 F516 L517 E518 L537 F574 | A510-V514 WeakPolarHBondContact O-CG2 3.27Å; A510-V514 PolarHBondContact O-N 3.27Å; K511-V514 PolarHBondContact O-N 3.31Å; S512-V514 PolarHBondContact O-N 3.32Å; V514-F516 VanDerWaalsContact C-N 3.27Å; V514-F516 PolarHBondContact O-N 2.88Å; V514-L517 PolarHBondContact O-N 2.93Å; V514-L517 VanDerWaalsContact O-N 3.15Å; V514-E518 HydrophobicContact CG1-CG 4.13Å; V514-E518 WeakPolarHBondContact O-CG 3.34Å; V514-E518 PolarHBondContact O-N 2.89Å; V514-L537 HydrophobicContact CG2-CD1 4.22Å; V514-F574 HydrophobicContact CG2-CD2 3.48Å; V514-F574 VanDerWaalsContact CG2-CD2 3.48Å; V514-F574 HydrophobicContact CG2-CE2 3.44Å; V514-F574 VanDerWaalsContact CG2-CE2 3.44Å |
| 515 | Y | 89.3 | Confident | 86 | Confident | 81 Ų | 81 | 42.1 Ų | 42.1 | 32% | 0.318 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.7 | -44.5 | 175.4 | 175 | -96.5 | 0 | 0 | 0 | 111.5 | V467 K468 I470 K511 S512 L517 E518 E519 | V467-Y515 WeakPolarHBondContact O-CE1 3.23Å; K468-Y515 PolarHBondContact O-OH 3.44Å; I470-Y515 HydrophobicContact CD1-CE1 4.35Å; K511-Y515 PolarHBondContact O-N 3.35Å; S512-Y515 WeakPolarHBondContact O-CB 3.27Å; S512-Y515 PolarHBondContact O-N 3.32Å; Y515-L517 VanDerWaalsContact C-N 3.34Å; Y515-L517 PolarHBondContact O-N 3.35Å; Y515-E518 PolarHBondContact O-N 3.46Å; Y515-E519 HydrophobicContact CE1-CB 4.5Å; Y515-E519 VanDerWaalsContact O-CB 3.25Å; Y515-E519 WeakPolarHBondContact O-CB 3.48Å; Y515-E519 PolarHBondContact O-N 3.45Å |
| 516 | F | 88.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 178 | -87.2 | -125.7 | 0 | 0 | 0 | 112.5 | L434 L464 V467 I470 V477 F478 S512 A513 V514 T520 | L434-F516 HydrophobicContact CD1-CE1 4.33Å; L434-F516 HydrophobicContact CD2-CE1 4.01Å; L434-F516 HydrophobicContact CD2-CZ 4.21Å; L464-F516 HydrophobicContact CD2-CZ 4.19Å; V467-F516 HydrophobicContact CB-CE2 3.87Å; V467-F516 HydrophobicContact CB-CZ 3.56Å; V467-F516 HydrophobicContact CG1-CE1 4.12Å; V467-F516 HydrophobicContact CG1-CE2 3.95Å; V467-F516 HydrophobicContact CG1-CZ 3.42Å; V467-F516 VanDerWaalsContact CG1-CZ 3.42Å; V467-F516 HydrophobicContact CG2-CZ 4Å; I470-F516 VanDerWaalsContact CD1-CA 3.41Å; I470-F516 HydrophobicContact CD1-CB 3.78Å; I470-F516 HydrophobicContact CD1-CD1 3.56Å; I470-F516 HydrophobicContact CD1-CD2 3.68Å; I470-F516 HydrophobicContact CD1-CE1 4.06Å; I470-F516 HydrophobicContact CD1-CE2 4.17Å; I470-F516 HydrophobicContact CD1-CG 3.38Å; I470-F516 HydrophobicContact CD1-CZ 4.35Å; I470-F516 HydrophobicContact CG1-CD1 4.17Å; I470-F516 HydrophobicContact CG1-CE1 4.23Å; I470-F516 HydrophobicContact CG1-CG 4.38Å; I470-F516 HydrophobicContact CG1-CZ 4.5Å; I470-F516 HydrophobicContact CG2-CD1 4.3Å; V477-F516 HydrophobicContact CG1-CD1 3.85Å; V477-F516 HydrophobicContact CG1-CE1 3.84Å; F478-F516 HydrophobicContact CD2-CB 3.99Å; F478-F516 AromaticContact CD2-CD1 3.77Å; F478-F516 HydrophobicContact CD2-CD1 3.77Å; F478-F516 HydrophobicContact CD2-CD2 4.33Å; F478-F516 HydrophobicContact CD2-CE1 4.29Å; F478-F516 AromaticContact CD2-CG 3.78Å; F478-F516 HydrophobicContact CD2-CG 3.78Å; F478-F516 HydrophobicContact CE2-CB 4.12Å; F478-F516 AromaticContact CE2-CD1 3.68Å; F478-F516 HydrophobicContact CE2-CD1 3.68Å; F478-F516 AromaticContact CE2-CD2 3.62Å; F478-F516 HydrophobicContact CE2-CD2 3.62Å; F478-F516 AromaticContact CE2-CE1 3.88Å; F478-F516 HydrophobicContact CE2-CE1 3.88Å; F478-F516 AromaticContact CE2-CE2 3.83Å; F478-F516 HydrophobicContact CE2-CE2 3.83Å; F478-F516 AromaticContact CE2-CG 3.52Å; F478-F516 HydrophobicContact CE2-CG 3.52Å; F478-F516 AromaticContact CE2-CZ 3.93Å; F478-F516 HydrophobicContact CE2-CZ 3.93Å; S512-F516 WeakPolarHBondContact O-CD2 3.47Å; S512-F516 PolarHBondContact O-N 3.47Å; A513-F516 PolarHBondContact O-N 3.05Å; V514-F516 VanDerWaalsContact C-N 3.27Å; V514-F516 PolarHBondContact O-N 2.88Å; F516-T520 VanDerWaalsContact O-CB 3.29Å; F516-T520 WeakPolarHBondContact O-CB 3.49Å; F516-T520 PolarHBondContact O-N 3.31Å; F516-T520 PolarHBondContact O-OG1 3.13Å |
| 517 | L | 85.8 | Confident | 82.4 | Confident | 9 Ų | 9 | 57 Ų | 57 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.3 | -48.7 | 177.6 | -176.7 | 64.6 | 0 | 0 | 0 | 111.4 | A513 V514 Y515 T520 Q521 Y533 E536 L537 L540 | A513-L517 PolarHBondContact O-N 3.15Å; V514-L517 PolarHBondContact O-N 2.93Å; V514-L517 VanDerWaalsContact O-N 3.15Å; Y515-L517 VanDerWaalsContact C-N 3.34Å; Y515-L517 PolarHBondContact O-N 3.35Å; L517-T520 PolarHBondContact O-N 3.43Å; L517-Q521 WeakPolarHBondContact O-CG 3.15Å; L517-Q521 PolarHBondContact O-N 3.36Å; L517-Y533 HydrophobicContact CB-CE2 4.48Å; L517-Y533 HydrophobicContact CD1-CD2 4.33Å; L517-Y533 HydrophobicContact CD2-CD2 3.6Å; L517-Y533 HydrophobicContact CD2-CE2 3.47Å; L517-Y533 VanDerWaalsContact CD2-CE2 3.47Å; L517-Y533 HydrophobicContact CG-CD2 3.66Å; L517-Y533 HydrophobicContact CG-CE2 3.61Å; L517-E536 HydrophobicContact CD1-CB 3.75Å; L517-E536 WeakPolarHBondContact CD1-OE2 3.45Å; L517-E536 HydrophobicContact CD2-CB 4.37Å; L517-L537 HydrophobicContact CD2-CB 3.85Å; L517-L537 HydrophobicContact CD2-CD1 4.27Å; L517-L540 HydrophobicContact CB-CD1 4.48Å; L517-L540 HydrophobicContact CD2-CD1 4.09Å |
| 518 | E | 86.2 | Confident | 80.5 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 179.1 | -72.9 | -177.2 | -173.8 | 0 | 0 | 112.3 | V514 Y515 Q521 R522 Y533 | V514-E518 HydrophobicContact CG1-CG 4.13Å; V514-E518 WeakPolarHBondContact O-CG 3.34Å; V514-E518 PolarHBondContact O-N 2.89Å; Y515-E518 PolarHBondContact O-N 3.46Å; E518-Q521 WeakPolarHBondContact O-CB 3.48Å; E518-Q521 PolarHBondContact O-N 3.44Å; E518-Q521 VanDerWaalsContact O-N 3.12Å; E518-R522 WeakPolarHBondContact O-CG 3.46Å; E518-R522 PolarHBondContact O-N 3.26Å; E518-R522 IonicContact OE2-NH2 2.97Å; E518-R522 PolarHBondContact OE2-NH2 3.31Å; E518-Y533 HydrophobicContact CG-CE2 4.3Å |
| 519 | E | 83.7 | Confident | 78.5 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.2 | -35.4 | -176.9 | -169.2 | 58 | -147.7 | 0 | 0 | 111.6 | I470 Y515 Q521 R522 N523 | I470-E519 HydrophobicContact CD1-CB 4.06Å; I470-E519 HydrophobicContact CD1-CG 4.36Å; Y515-E519 HydrophobicContact CE1-CB 4.5Å; Y515-E519 VanDerWaalsContact O-CB 3.25Å; Y515-E519 WeakPolarHBondContact O-CB 3.48Å; Y515-E519 PolarHBondContact O-N 3.45Å; E519-Q521 PolarHBondContact O-N 3.48Å; E519-R522 PolarHBondContact O-N 2.84Å; E519-R522 IonicContact OE2-CZ 2.65Å; E519-R522 IonicContact OE2-NE 3.8Å; E519-R522 IonicContact OE2-NH1 3.34Å; E519-R522 PolarHBondContact OE2-NH1 3.15Å; E519-N523 WeakPolarHBondContact O-CB 3.27Å; E519-N523 PolarHBondContact O-N 3.31Å; E519-N523 PolarHBondContact O-ND2 3.07Å; E519-N523 PolarHBondContact OE1-ND2 3.27Å |
| 520 | T | 79.6 | Confident | 76.6 | Confident | 33 Ų | 33 | 70 Ų | 70 | 20% | 0.202 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.4 | -38.3 | 170 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | A475 F516 L517 A524 | A475-T520 HydrophobicContact CB-CG2 3.38Å; F516-T520 VanDerWaalsContact O-CB 3.29Å; F516-T520 WeakPolarHBondContact O-CB 3.49Å; F516-T520 PolarHBondContact O-N 3.31Å; F516-T520 PolarHBondContact O-OG1 3.13Å; L517-T520 PolarHBondContact O-N 3.43Å; T520-A524 PolarHBondContact O-N 3.22Å |
| 521 | Q | 78.1 | Confident | 74.9 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 33% | 0.327 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -76.1 | -40 | -179.6 | -70.4 | -164.2 | -5.3 | 0 | 0 | 114.1 | L517 E518 E519 N523 A524 Y533 | L517-Q521 WeakPolarHBondContact O-CG 3.15Å; L517-Q521 PolarHBondContact O-N 3.36Å; E518-Q521 WeakPolarHBondContact O-CB 3.48Å; E518-Q521 PolarHBondContact O-N 3.44Å; E518-Q521 VanDerWaalsContact O-N 3.12Å; E519-Q521 PolarHBondContact O-N 3.48Å; Q521-N523 PolarHBondContact O-N 3Å; Q521-A524 WeakPolarHBondContact O-CB 3.43Å; Q521-A524 PolarHBondContact O-N 3.39Å; Q521-A524 VanDerWaalsContact O-N 3.09Å; Q521-Y533 HydrophobicContact CG-CD2 4.38Å; Q521-Y533 VanDerWaalsContact OE1-CB 3.3Å; Q521-Y533 VanDerWaalsContact OE1-CG 3.23Å |
| 522 | R | 77.5 | Confident | 73.9 | Confident | 153 Ų | 153 | 73.4 Ų | 73.4 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.3 | -34.3 | 172.6 | -68.8 | 178.6 | -151.6 | 154 | 2.5 | 111.5 | E518 E519 | E518-R522 WeakPolarHBondContact O-CG 3.46Å; E518-R522 PolarHBondContact O-N 3.26Å; E518-R522 IonicContact OE2-NH2 2.97Å; E518-R522 PolarHBondContact OE2-NH2 3.31Å; E519-R522 PolarHBondContact O-N 2.84Å; E519-R522 IonicContact OE2-CZ 2.65Å; E519-R522 IonicContact OE2-NE 3.8Å; E519-R522 IonicContact OE2-NH1 3.34Å; E519-R522 PolarHBondContact OE2-NH1 3.15Å |
| 523 | N | 73.7 | Confident | 73.2 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 40% | 0.401 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.4 | -179.1 | -66.4 | -45.8 | 0 | 0 | 0 | 114.2 | R472 E519 Q521 | R472-N523 PolarHBondContact NH2-O 2.94Å; R472-N523 VanDerWaalsContact NH2-O 3.16Å; E519-N523 WeakPolarHBondContact O-CB 3.27Å; E519-N523 PolarHBondContact O-N 3.31Å; E519-N523 PolarHBondContact O-ND2 3.07Å; E519-N523 PolarHBondContact OE1-ND2 3.27Å; Q521-N523 PolarHBondContact O-N 3Å |
| 524 | A | 67.3 | Low | 72.6 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 31% | 0.314 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -80.5 | 143.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T520 Q521 | T520-A524 PolarHBondContact O-N 3.22Å; Q521-A524 WeakPolarHBondContact O-CB 3.43Å; Q521-A524 PolarHBondContact O-N 3.39Å; Q521-A524 VanDerWaalsContact O-N 3.09Å |
| 525 | P | 65.4 | Low | 72.3 | Confident | 81 Ų | 81 | 83.5 Ų | 83.5 | 53% | 0.526 | 44% | 0.439 | S | S | . | . | trans | -63.2 | 144.3 | 174.6 | -13.6 | 26.8 | 0 | 0 | 0 | 111.3 | D527 M528 | P525-D527 PolarHBondContact O-N 2.93Å; P525-M528 PolarHBondContact O-N 3Å | ||
| 526 | N | 58.6 | Low | 72 | Confident | 173 Ų | 173 | 81.2 Ų | 81.2 | 93% | 0.925 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -7.1 | -176.5 | -78.1 | -15.8 | 0 | 0 | 0 | 116.4 | ||
| 527 | D | 56.2 | Low | 71.9 | Confident | 158 Ų | 158 | 82.7 Ų | 82.7 | 85% | 0.845 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 2.4 | -178.9 | -79 | -26.1 | 0 | 0 | 0 | 114.4 | P525 | P525-D527 PolarHBondContact O-N 2.93Š|
| 528 | M | 55.6 | Low | 72 | Confident | 95 Ų | 95 | 85.7 Ų | 85.7 | 47% | 0.468 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -81.6 | 129.1 | 178.1 | -85.4 | -68.6 | -70.7 | 0 | 0 | 111.9 | P525 T530 | P525-M528 PolarHBondContact O-N 3Å; M528-T530 PolarHBondContact O-N 3.16Å |
| 529 | P | 52.4 | Low | 72 | Confident | 88 Ų | 88 | 84.4 Ų | 84.4 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | trans | -66.9 | 137.7 | 178.2 | -6.5 | 20.4 | 0 | 0 | 0 | 110.5 | P531 | P529-P531 VanDerWaalsContact C-N 3.32Å; P529-P531 HydrophobicContact CB-CG 4.41Å; P529-P531 WeakPolarHBondContact O-CD 3.41Å; P529-P531 VanDerWaalsContact O-N 3.15Å | ||
| 530 | T | 54 | Low | 72.2 | Confident | 132 Ų | 132 | 83.3 Ų | 83.3 | 81% | 0.81 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -20.6 | 176.1 | -2.2 | 0 | 0 | 0 | 0 | 118.3 | M528 R532 | M528-T530 PolarHBondContact O-N 3.16Å; T530-R532 PolarHBondContact O-N 3.3Å; T530-R532 VanDerWaalsContact O-N 3.17Å |
| 531 | P | 56.1 | Low | 72.8 | Confident | 90 Ų | 90 | 82.4 Ų | 82.4 | 58% | 0.584 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68 | -10.4 | -178.6 | -19.4 | 32.6 | 0 | 0 | 0 | 116.2 | P529 A535 | P529-P531 VanDerWaalsContact C-N 3.32Å; P529-P531 HydrophobicContact CB-CG 4.41Å; P529-P531 WeakPolarHBondContact O-CD 3.41Å; P529-P531 VanDerWaalsContact O-N 3.15Å; P531-A535 WeakPolarHBondContact O-CB 3.29Å |
| 532 | R | 70.8 | Confident | 73.3 | Confident | 122 Ų | 122 | 83.6 Ų | 83.6 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.7 | -34.7 | -177 | -163.3 | 168.9 | 179.2 | 174.6 | -0.8 | 112.8 | T530 E536 | T530-R532 PolarHBondContact O-N 3.3Å; T530-R532 VanDerWaalsContact O-N 3.17Å; R532-E536 HydrophobicContact CG-CG 4.33Å; R532-E536 VanDerWaalsContact CG-OE1 3.23Å; R532-E536 WeakPolarHBondContact CG-OE1 3.49Å; R532-E536 IonicContact CZ-OE1 3.62Å; R532-E536 IonicContact NE-OE1 3.89Å; R532-E536 PolarHBondContact NE-OE1 3.34Å; R532-E536 IonicContact NH2-OE1 3.56Å; R532-E536 WeakPolarHBondContact O-CB 3.4Å; R532-E536 VanDerWaalsContact O-CG 3.3Å; R532-E536 WeakPolarHBondContact O-CG 3.37Å; R532-E536 PolarHBondContact O-N 3.17Å; R532-E536 VanDerWaalsContact O-N 3.09Å |
| 533 | Y | 77.5 | Confident | 73.8 | Confident | 58 Ų | 58 | 78.5 Ų | 78.5 | 23% | 0.227 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.8 | -54.8 | 178.5 | -169.9 | -122.3 | 0 | 0 | 0 | 112.8 | L517 E518 Q521 A535 E536 L537 | L517-Y533 HydrophobicContact CB-CE2 4.48Å; L517-Y533 HydrophobicContact CD1-CD2 4.33Å; L517-Y533 HydrophobicContact CD2-CD2 3.6Å; L517-Y533 HydrophobicContact CD2-CE2 3.47Å; L517-Y533 VanDerWaalsContact CD2-CE2 3.47Å; L517-Y533 HydrophobicContact CG-CD2 3.66Å; L517-Y533 HydrophobicContact CG-CE2 3.61Å; E518-Y533 HydrophobicContact CG-CE2 4.3Å; Q521-Y533 HydrophobicContact CG-CD2 4.38Å; Q521-Y533 VanDerWaalsContact OE1-CB 3.3Å; Q521-Y533 VanDerWaalsContact OE1-CG 3.23Å; Y533-A535 VanDerWaalsContact C-N 3.3Å; Y533-A535 PolarHBondContact O-N 2.99Å; Y533-E536 PolarHBondContact O-N 3.42Å; Y533-L537 HydrophobicContact CE1-CD2 3.97Å; Y533-L537 WeakPolarHBondContact O-CB 3.38Å; Y533-L537 PolarHBondContact O-N 3.19Å |
| 534 | E | 80.1 | Confident | 74.7 | Confident | 137 Ų | 137 | 75 Ų | 75 | 64% | 0.64 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.4 | -36 | -172.2 | -67.1 | -176.5 | 168 | 0 | 0 | 111.1 | N538 | E534-N538 VanDerWaalsContact O-CB 3.26Å; E534-N538 WeakPolarHBondContact O-CB 3.25Å; E534-N538 PolarHBondContact O-N 2.93Å; E534-N538 PolarHBondContact O-ND2 3.3Å |
| 535 | A | 83.1 | Confident | 75.8 | Confident | 62 Ų | 62 | 78.2 Ų | 78.2 | 51% | 0.512 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.4 | -47.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | P531 Y533 N538 A539 | P531-A535 WeakPolarHBondContact O-CB 3.29Å; Y533-A535 VanDerWaalsContact C-N 3.3Å; Y533-A535 PolarHBondContact O-N 2.99Å; A535-N538 PolarHBondContact O-N 3.12Å; A535-A539 PolarHBondContact O-N 3.12Å |
| 536 | E | 82.8 | Confident | 77 | Confident | 33 Ų | 33 | 81.1 Ų | 81.1 | 15% | 0.154 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.2 | -39.2 | 178.9 | -72.7 | 174 | 178.3 | 0 | 0 | 111.6 | L517 R532 Y533 A539 L540 | L517-E536 HydrophobicContact CD1-CB 3.75Å; L517-E536 WeakPolarHBondContact CD1-OE2 3.45Å; L517-E536 HydrophobicContact CD2-CB 4.37Å; R532-E536 HydrophobicContact CG-CG 4.33Å; R532-E536 VanDerWaalsContact CG-OE1 3.23Å; R532-E536 WeakPolarHBondContact CG-OE1 3.49Å; R532-E536 IonicContact CZ-OE1 3.62Å; R532-E536 IonicContact NE-OE1 3.89Å; R532-E536 PolarHBondContact NE-OE1 3.34Å; R532-E536 IonicContact NH2-OE1 3.56Å; R532-E536 WeakPolarHBondContact O-CB 3.4Å; R532-E536 VanDerWaalsContact O-CG 3.3Å; R532-E536 WeakPolarHBondContact O-CG 3.37Å; R532-E536 PolarHBondContact O-N 3.17Å; R532-E536 VanDerWaalsContact O-N 3.09Å; Y533-E536 PolarHBondContact O-N 3.42Å; E536-A539 PolarHBondContact O-N 3.11Å; E536-L540 WeakPolarHBondContact O-CG 3.11Å; E536-L540 PolarHBondContact O-N 3.14Å |
| 537 | L | 86.1 | Confident | 78.6 | Confident | 33 Ų | 33 | 73 Ų | 73 | 17% | 0.173 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 174.2 | -177 | 63.3 | 0 | 0 | 0 | 111.7 | V514 L517 Y533 L540 H541 | V514-L537 HydrophobicContact CG2-CD1 4.22Å; L517-L537 HydrophobicContact CD2-CB 3.85Å; L517-L537 HydrophobicContact CD2-CD1 4.27Å; Y533-L537 HydrophobicContact CE1-CD2 3.97Å; Y533-L537 WeakPolarHBondContact O-CB 3.38Å; Y533-L537 PolarHBondContact O-N 3.19Å; L537-L540 PolarHBondContact O-N 3.26Å; L537-H541 VanDerWaalsContact O-CG 3.27Å; L537-H541 PolarHBondContact O-N 2.7Å; L537-H541 PolarHBondContact O-ND1 3.33Å |
| 538 | N | 86.9 | Confident | 80.3 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 174.5 | -78.7 | -40.9 | 0 | 0 | 0 | 112.2 | E534 A535 L540 H541 D542 K579 | E534-N538 VanDerWaalsContact O-CB 3.26Å; E534-N538 WeakPolarHBondContact O-CB 3.25Å; E534-N538 PolarHBondContact O-N 2.93Å; E534-N538 PolarHBondContact O-ND2 3.3Å; A535-N538 PolarHBondContact O-N 3.12Å; N538-L540 VanDerWaalsContact C-N 3.34Å; N538-L540 PolarHBondContact O-N 2.65Å; N538-H541 WeakPolarHBondContact O-CB 3.33Å; N538-H541 PolarHBondContact O-N 2.87Å; N538-D542 PolarHBondContact O-N 2.93Å; N538-K579 PolarHBondContact OD1-NZ 3.49Å |
| 539 | A | 86.9 | Confident | 82.1 | Confident | 43 Ų | 43 | 63 Ų | 63 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A535 E536 D542 I543 | A535-A539 PolarHBondContact O-N 3.12Å; E536-A539 PolarHBondContact O-N 3.11Å; A539-D542 PolarHBondContact O-N 2.92Å; A539-I543 WeakPolarHBondContact O-CG1 3.44Å; A539-I543 PolarHBondContact O-N 3.34Å; A539-I543 VanDerWaalsContact O-N 3.16Å |
| 540 | L | 88.8 | Confident | 84 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 172.9 | -72.8 | 176.2 | 0 | 0 | 0 | 111.9 | F478 P479 L483 A513 L517 E536 L537 N538 D542 I543 V544 F574 | F478-L540 HydrophobicContact CB-CD2 4.31Å; P479-L540 HydrophobicContact CB-CD2 4.24Å; L483-L540 HydrophobicContact CD1-CD2 3.62Å; A513-L540 HydrophobicContact CB-CD1 4.22Å; A513-L540 HydrophobicContact CB-CD2 4.17Å; L517-L540 HydrophobicContact CB-CD1 4.48Å; L517-L540 HydrophobicContact CD2-CD1 4.09Å; E536-L540 WeakPolarHBondContact O-CG 3.11Å; E536-L540 PolarHBondContact O-N 3.14Å; L537-L540 PolarHBondContact O-N 3.26Å; N538-L540 VanDerWaalsContact C-N 3.34Å; N538-L540 PolarHBondContact O-N 2.65Å; L540-D542 VanDerWaalsContact C-N 3.31Å; L540-D542 PolarHBondContact O-N 2.98Å; L540-I543 PolarHBondContact O-N 3.37Å; L540-V544 WeakPolarHBondContact O-CB 3.32Å; L540-V544 WeakPolarHBondContact O-CG2 3.28Å; L540-V544 PolarHBondContact O-N 3.5Å; L540-F574 HydrophobicContact CB-CZ 4.39Å |
| 541 | H | 90.3 | Very high | 85.8 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -44.4 | 175.3 | -73 | 141.5 | 0 | 0 | 0 | 111.8 | L537 N538 R545 F574 F575 K579 | L537-H541 VanDerWaalsContact O-CG 3.27Å; L537-H541 PolarHBondContact O-N 2.7Å; L537-H541 PolarHBondContact O-ND1 3.33Å; N538-H541 WeakPolarHBondContact O-CB 3.33Å; N538-H541 PolarHBondContact O-N 2.87Å; H541-R545 WeakPolarHBondContact O-CB 3.06Å; H541-R545 PolarHBondContact O-N 3.03Å; H541-F574 AromaticContact CD2-CD1 3.92Å; H541-F574 AromaticContact CD2-CE1 3.47Å; H541-F574 VanDerWaalsContact CD2-CE1 3.47Å; H541-F574 WeakPolarHBondContact CD2-CE1 3.38Å; H541-F574 AromaticContact CD2-CZ 3.62Å; H541-F574 PolarHBondContact NE2-O 3.49Å; H541-F575 AromaticContact CD2-CD1 3.85Å; H541-K579 PolarHBondContact ND1-NZ 3.37Å |
| 542 | D | 89.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 50.1 Ų | 50.1 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | -176.2 | -71.3 | -23.8 | 0 | 0 | 0 | 112.1 | N538 A539 L540 R545 Q546 | N538-D542 PolarHBondContact O-N 2.93Å; A539-D542 PolarHBondContact O-N 2.92Å; L540-D542 VanDerWaalsContact C-N 3.31Å; L540-D542 PolarHBondContact O-N 2.98Å; D542-R545 PolarHBondContact O-N 2.71Å; D542-Q546 PolarHBondContact O-N 3.47Å; D542-Q546 VanDerWaalsContact O-N 3.13Å |
| 543 | I | 88.9 | Confident | 88.5 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 178.3 | -62.3 | 166.1 | 0 | 0 | 0 | 110.6 | P479 L483 A539 L540 R545 Q546 A547 | P479-I543 HydrophobicContact CB-CD1 4.49Å; L483-I543 HydrophobicContact CB-CG2 3.86Å; L483-I543 HydrophobicContact CD1-CB 4.37Å; L483-I543 HydrophobicContact CD1-CD1 4.44Å; L483-I543 HydrophobicContact CD1-CG2 4.04Å; L483-I543 HydrophobicContact CG-CG2 4.49Å; A539-I543 WeakPolarHBondContact O-CG1 3.44Å; A539-I543 PolarHBondContact O-N 3.34Å; A539-I543 VanDerWaalsContact O-N 3.16Å; L540-I543 PolarHBondContact O-N 3.37Å; I543-R545 VanDerWaalsContact C-N 3.35Å; I543-R545 PolarHBondContact O-N 3.32Å; I543-Q546 PolarHBondContact O-N 3.22Å; I543-A547 PolarHBondContact O-N 2.92Å |
| 544 | V | 91.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.3 | -37.1 | -179.4 | 176.2 | 0 | 0 | 0 | 0 | 111 | L483 I506 A510 L540 Q546 A547 V548 L571 F574 F575 | L483-V544 HydrophobicContact CD1-CG2 4.4Å; I506-V544 HydrophobicContact CD1-CG1 4.31Å; I506-V544 HydrophobicContact CG1-CG1 4.27Å; A510-V544 HydrophobicContact CB-CG1 4.28Å; A510-V544 HydrophobicContact CB-CG2 4.47Å; L540-V544 WeakPolarHBondContact O-CB 3.32Å; L540-V544 WeakPolarHBondContact O-CG2 3.28Å; L540-V544 PolarHBondContact O-N 3.5Å; V544-Q546 VanDerWaalsContact C-N 3.34Å; V544-Q546 PolarHBondContact O-N 3.39Å; V544-A547 PolarHBondContact O-N 2.9Å; V544-V548 HydrophobicContact CG1-CG2 4.01Å; V544-V548 WeakPolarHBondContact O-CB 2.94Å; V544-V548 VanDerWaalsContact O-CG2 3.29Å; V544-V548 WeakPolarHBondContact O-CG2 3.48Å; V544-V548 PolarHBondContact O-N 3.32Å; V544-L571 HydrophobicContact CG1-CD2 4.29Å; V544-F574 HydrophobicContact CB-CE1 3.76Å; V544-F574 HydrophobicContact CB-CZ 4.16Å; V544-F574 HydrophobicContact CG1-CD1 4.32Å; V544-F574 HydrophobicContact CG1-CE1 3.77Å; V544-F574 HydrophobicContact CG1-CZ 4.45Å; V544-F574 HydrophobicContact CG2-CE1 4.13Å; V544-F574 HydrophobicContact CG2-CZ 4.03Å; V544-F575 HydrophobicContact CB-CZ 4.49Å; V544-F575 HydrophobicContact CG1-CZ 4Å |
| 545 | R | 90.8 | Very high | 89.8 | Confident | 106 Ų | 106 | 44.1 Ų | 44.1 | 40% | 0.4 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57 | -47.2 | 175.5 | 173.9 | -178.3 | 175.8 | 163.7 | 5.4 | 111.3 | H541 D542 I543 A547 V548 L549 F575 V583 | H541-R545 WeakPolarHBondContact O-CB 3.06Å; H541-R545 PolarHBondContact O-N 3.03Å; D542-R545 PolarHBondContact O-N 2.71Å; I543-R545 VanDerWaalsContact C-N 3.35Å; I543-R545 PolarHBondContact O-N 3.32Å; R545-A547 VanDerWaalsContact C-N 3.32Å; R545-A547 PolarHBondContact O-N 3.25Å; R545-V548 PolarHBondContact O-N 3.12Å; R545-L549 HydrophobicContact CG-CD1 3.86Å; R545-L549 HydrophobicContact CG-CG 4.31Å; R545-L549 WeakPolarHBondContact O-CB 3.43Å; R545-L549 VanDerWaalsContact O-CG 3.29Å; R545-L549 WeakPolarHBondContact O-CG 3.38Å; R545-L549 PolarHBondContact O-N 3.1Å; R545-F575 HydrophobicContact CB-CE1 3.88Å; R545-F575 HydrophobicContact CB-CZ 4.13Å; R545-V583 HydrophobicContact CG-CG1 4.12Å; R545-V583 HydrophobicContact CG-CG2 4.15Å |
| 546 | Q | 90.6 | Very high | 90.3 | Very high | 142 Ų | 142 | 45.1 Ų | 45.1 | 66% | 0.664 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.3 | -43.3 | -179.8 | -173.9 | 175.4 | -2.5 | 0 | 0 | 111.5 | D542 I543 V544 S550 | D542-Q546 PolarHBondContact O-N 3.47Å; D542-Q546 VanDerWaalsContact O-N 3.13Å; I543-Q546 PolarHBondContact O-N 3.22Å; V544-Q546 VanDerWaalsContact C-N 3.34Å; V544-Q546 PolarHBondContact O-N 3.39Å; Q546-S550 PolarHBondContact O-N 3.15Å; Q546-S550 VanDerWaalsContact O-N 3.13Å |
| 547 | A | 91.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T487 A490 F502 I543 V544 R545 L549 S550 L551 | T487-A547 HydrophobicContact CG2-CB 4Å; A490-A547 HydrophobicContact CB-CB 4.26Å; F502-A547 HydrophobicContact CE1-CB 4Å; F502-A547 HydrophobicContact CZ-CB 4.36Å; I543-A547 PolarHBondContact O-N 2.92Å; V544-A547 PolarHBondContact O-N 2.9Å; R545-A547 VanDerWaalsContact C-N 3.32Å; R545-A547 PolarHBondContact O-N 3.25Å; A547-L549 PolarHBondContact O-N 3.22Å; A547-S550 WeakPolarHBondContact O-CB 3.49Å; A547-S550 PolarHBondContact O-N 3.45Å; A547-L551 WeakPolarHBondContact O-CG 3.32Å; A547-L551 PolarHBondContact O-N 2.87Å |
| 548 | V | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 179.8 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | I506 V544 R545 S550 L551 L552 L563 L571 F575 | I506-V548 HydrophobicContact CG1-CG2 4.3Å; V544-V548 HydrophobicContact CG1-CG2 4.01Å; V544-V548 WeakPolarHBondContact O-CB 2.94Å; V544-V548 VanDerWaalsContact O-CG2 3.29Å; V544-V548 WeakPolarHBondContact O-CG2 3.48Å; V544-V548 PolarHBondContact O-N 3.32Å; R545-V548 PolarHBondContact O-N 3.12Å; V548-S550 VanDerWaalsContact C-N 3.34Å; V548-S550 PolarHBondContact O-N 3.48Å; V548-L551 PolarHBondContact O-N 3.35Å; V548-L551 VanDerWaalsContact O-N 3.14Å; V548-L552 HydrophobicContact CG1-CD1 3.75Å; V548-L552 HydrophobicContact CG1-CG 4.16Å; V548-L552 WeakPolarHBondContact O-CG 3.47Å; V548-L552 PolarHBondContact O-N 3.13Å; V548-L563 HydrophobicContact CG1-CD2 4.34Å; V548-L571 HydrophobicContact CG1-CD1 4.48Å; V548-L571 HydrophobicContact CG2-CD1 3.99Å; V548-L571 HydrophobicContact CG2-CD2 4.09Å; V548-F575 HydrophobicContact CG2-CE2 4.46Å; V548-F575 HydrophobicContact CG2-CZ 4.46Å |
| 549 | L | 91.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.2 | -74.4 | 174.7 | 0 | 0 | 0 | 112.2 | R545 A547 L551 L552 T553 V583 H587 | R545-L549 HydrophobicContact CG-CD1 3.86Å; R545-L549 HydrophobicContact CG-CG 4.31Å; R545-L549 WeakPolarHBondContact O-CB 3.43Å; R545-L549 VanDerWaalsContact O-CG 3.29Å; R545-L549 WeakPolarHBondContact O-CG 3.38Å; R545-L549 PolarHBondContact O-N 3.1Å; A547-L549 PolarHBondContact O-N 3.22Å; L549-L551 VanDerWaalsContact C-N 3.26Å; L549-L551 PolarHBondContact O-N 3.38Å; L549-L552 PolarHBondContact O-N 3.4Å; L549-T553 WeakPolarHBondContact O-CB 3.32Å; L549-T553 PolarHBondContact O-N 3.46Å; L549-T553 PolarHBondContact O-OG1 3.06Å; L549-V583 HydrophobicContact CD2-CG1 3.91Å; L549-V583 HydrophobicContact CG-CG1 4.17Å; L549-H587 WeakPolarHBondContact CD2-CE1 3.36Å |
| 550 | S | 92.4 | Very high | 91.7 | Very high | 38 Ų | 38 | 42.2 Ų | 42.2 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.7 | -37.3 | 173.5 | -171.7 | 0 | 0 | 0 | 0 | 112.2 | Q546 A547 V548 D554 | Q546-S550 PolarHBondContact O-N 3.15Å; Q546-S550 VanDerWaalsContact O-N 3.13Å; A547-S550 WeakPolarHBondContact O-CB 3.49Å; A547-S550 PolarHBondContact O-N 3.45Å; V548-S550 VanDerWaalsContact C-N 3.34Å; V548-S550 PolarHBondContact O-N 3.48Å; S550-D554 PolarHBondContact O-N 2.85Å |
| 551 | L | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.4 | -38.8 | 178.8 | -62.5 | 172.5 | 0 | 0 | 0 | 112.9 | A490 R499 F502 A503 I506 A547 V548 L549 T553 D554 V559 K560 L563 | A490-L551 HydrophobicContact CB-CD2 4.31Å; A490-L551 HydrophobicContact CB-CG 4.47Å; R499-L551 HydrophobicContact CB-CD2 4.43Å; F502-L551 HydrophobicContact CD1-CD1 4.04Å; F502-L551 HydrophobicContact CD1-CD2 4.47Å; F502-L551 HydrophobicContact CE1-CD1 4.48Å; A503-L551 HydrophobicContact CB-CD1 3.95Å; A503-L551 HydrophobicContact CB-CD2 4.27Å; I506-L551 HydrophobicContact CG2-CD1 4.3Å; A547-L551 WeakPolarHBondContact O-CG 3.32Å; A547-L551 PolarHBondContact O-N 2.87Å; V548-L551 PolarHBondContact O-N 3.35Å; V548-L551 VanDerWaalsContact O-N 3.14Å; L549-L551 VanDerWaalsContact C-N 3.26Å; L549-L551 PolarHBondContact O-N 3.38Å; L551-T553 VanDerWaalsContact C-N 3.27Å; L551-T553 PolarHBondContact O-N 3.33Å; L551-D554 VanDerWaalsContact O-CB 3.3Å; L551-D554 WeakPolarHBondContact O-CB 3.21Å; L551-D554 PolarHBondContact O-N 3.25Å; L551-V559 HydrophobicContact CB-CG1 4.35Å; L551-V559 HydrophobicContact CD2-CG1 3.71Å; L551-K560 WeakPolarHBondContact O-CG 3.48Å; L551-L563 HydrophobicContact CB-CD2 3.89Å; L551-L563 HydrophobicContact CD1-CD1 4.24Å; L551-L563 HydrophobicContact CD1-CD2 4.43Å |
| 552 | L | 91.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.1 | -29.9 | 177.6 | -72.2 | 170.3 | 0 | 0 | 0 | 112 | V548 L549 K560 L563 H587 I588 F591 | V548-L552 HydrophobicContact CG1-CD1 3.75Å; V548-L552 HydrophobicContact CG1-CG 4.16Å; V548-L552 WeakPolarHBondContact O-CG 3.47Å; V548-L552 PolarHBondContact O-N 3.13Å; L549-L552 PolarHBondContact O-N 3.4Å; L552-K560 WeakPolarHBondContact O-CD 3.37Å; L552-L563 HydrophobicContact CD2-CD2 3.57Å; L552-L563 HydrophobicContact CG-CD2 3.7Å; L552-H587 HydrophobicContact CB-CB 4.15Å; L552-H587 HydrophobicContact CD1-CB 4.1Å; L552-I588 HydrophobicContact CD2-CG1 4.19Å; L552-F591 HydrophobicContact CB-CZ 4.32Å; L552-F591 HydrophobicContact CD2-CE2 3.99Å; L552-F591 HydrophobicContact CD2-CZ 3.6Å; L552-F591 VanDerWaalsContact O-CE1 3.31Å; L552-F591 WeakPolarHBondContact O-CE1 3.36Å |
| 553 | T | 91.5 | Very high | 92.3 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 56% | 0.564 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 12.7 | 177.6 | 58.2 | 0 | 0 | 0 | 0 | 113 | L549 L551 | L549-T553 WeakPolarHBondContact O-CB 3.32Å; L549-T553 PolarHBondContact O-N 3.46Å; L549-T553 PolarHBondContact O-OG1 3.06Å; L551-T553 VanDerWaalsContact C-N 3.27Å; L551-T553 PolarHBondContact O-N 3.33Å |
| 554 | D | 93.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | trans | -63.6 | 142.9 | -177 | -160.8 | -91.9 | 0 | 0 | 0 | 112.2 | R499 S550 L551 Q556 V559 K560 | R499-D554 IonicContact CZ-OD1 3.97Å; R499-D554 IonicContact CZ-OD2 3.12Å; R499-D554 IonicContact NE-OD2 3.83Å; R499-D554 PolarHBondContact NE-OD2 3.42Å; R499-D554 IonicContact NH1-OD1 2.79Å; R499-D554 IonicContact NH1-OD2 3.26Å; R499-D554 PolarHBondContact NH1-OD2 3.4Å; R499-D554 IonicContact NH2-OD1 3.4Å; R499-D554 PolarHBondContact NH2-OD1 3.08Å; R499-D554 IonicContact NH2-OD2 3.79Å; R499-D554 PolarHBondContact NH2-OD2 2.89Å; R499-D554 VanDerWaalsContact NH2-OD2 3.11Å; S550-D554 PolarHBondContact O-N 2.85Å; L551-D554 VanDerWaalsContact O-CB 3.3Å; L551-D554 WeakPolarHBondContact O-CB 3.21Å; L551-D554 PolarHBondContact O-N 3.25Å; D554-Q556 PolarHBondContact O-N 3.47Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.43Å; D554-Q556 PolarHBondContact OD1-N 3.03Å; D554-V559 HydrophobicContact CB-CB 4Å; D554-V559 HydrophobicContact CB-CG1 3.95Å; D554-K560 HydrophobicContact CB-CG 4.44Å; D554-K560 VanDerWaalsContact O-CE 3.31Å; D554-K560 WeakPolarHBondContact O-CE 3.43Å | ||
| 555 | S | 91.2 | Very high | 92.2 | Very high | 90 Ų | 90 | 41.6 Ų | 41.6 | 63% | 0.629 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -63.7 | -26.7 | 177.5 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 556 | Q | 93.1 | Very high | 92 | Very high | 83 Ų | 83 | 39.1 Ų | 39.1 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -97.9 | 126 | -176 | -61.4 | -60.9 | -44.4 | 0 | 0 | 111.4 | V496 D554 V558 V559 | V496-Q556 HydrophobicContact CG1-CB 4.14Å; V496-Q556 HydrophobicContact CG1-CG 4.07Å; V496-Q556 HydrophobicContact CG2-CG 3.92Å; D554-Q556 PolarHBondContact O-N 3.47Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.43Å; D554-Q556 PolarHBondContact OD1-N 3.03Å; Q556-V558 VanDerWaalsContact C-N 3.25Å; Q556-V558 HydrophobicContact CB-CG1 4.2Å; Q556-V558 PolarHBondContact O-N 3Å; Q556-V559 HydrophobicContact CB-CG2 4.25Å; Q556-V559 PolarHBondContact O-N 3.32Å |
| 557 | P | 91.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 32.5 Ų | 32.5 | 24% | 0.24 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.7 | -31.7 | -178.1 | 24.4 | -33 | 0 | 0 | 0 | 113 | V559 K560 Q561 D596 L599 | P557-V559 VanDerWaalsContact C-N 3.28Å; P557-V559 PolarHBondContact O-N 3.45Å; P557-K560 PolarHBondContact O-N 3.33Å; P557-Q561 VanDerWaalsContact O-CB 3.3Å; P557-Q561 WeakPolarHBondContact O-CB 3.28Å; P557-Q561 PolarHBondContact O-N 2.7Å; P557-D596 HydrophobicContact CB-CB 3.64Å; P557-D596 HydrophobicContact CG-CB 3.99Å; P557-L599 HydrophobicContact CB-CB 4.48Å; P557-L599 HydrophobicContact CB-CD2 4.34Å |
| 558 | V | 93.9 | Very high | 91.4 | Very high | 63 Ų | 63 | 32.5 Ų | 32.5 | 38% | 0.382 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61 | -33.3 | 178.8 | 67.5 | 0 | 0 | 0 | 0 | 113.3 | V496 V500 Q556 T562 | V496-V558 HydrophobicContact CG1-CG1 3.88Å; V500-V558 HydrophobicContact CG2-CG1 3.94Å; V500-V558 HydrophobicContact CG2-CG2 4.23Å; Q556-V558 VanDerWaalsContact C-N 3.25Å; Q556-V558 HydrophobicContact CB-CG1 4.2Å; Q556-V558 PolarHBondContact O-N 3Å; V558-T562 WeakPolarHBondContact O-CB 3.42Å; V558-T562 PolarHBondContact O-N 2.98Å; V558-T562 PolarHBondContact O-OG1 3.39Å |
| 559 | V | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -49.3 | 178.3 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | V496 R499 V500 A503 L551 D554 Q556 P557 Q561 T562 L563 | V496-V559 HydrophobicContact CG1-CG2 3.99Å; R499-V559 HydrophobicContact CB-CG1 4.25Å; R499-V559 HydrophobicContact CB-CG2 4.06Å; V500-V559 HydrophobicContact CG2-CG2 3.78Å; A503-V559 HydrophobicContact CB-CG1 4.37Å; L551-V559 HydrophobicContact CB-CG1 4.35Å; L551-V559 HydrophobicContact CD2-CG1 3.71Å; D554-V559 HydrophobicContact CB-CB 4Å; D554-V559 HydrophobicContact CB-CG1 3.95Å; Q556-V559 HydrophobicContact CB-CG2 4.25Å; Q556-V559 PolarHBondContact O-N 3.32Å; P557-V559 VanDerWaalsContact C-N 3.28Å; P557-V559 PolarHBondContact O-N 3.45Å; V559-Q561 VanDerWaalsContact C-N 3.32Å; V559-Q561 PolarHBondContact O-N 2.89Å; V559-T562 PolarHBondContact O-N 2.84Å; V559-L563 PolarHBondContact O-N 3.18Å; V559-L563 VanDerWaalsContact O-N 3.1Å |
| 560 | K | 93.1 | Very high | 91 | Very high | 19 Ų | 19 | 36 Ų | 36 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.5 | -46 | 175.5 | -65.4 | 178.3 | -73.2 | -176.7 | 0 | 110.9 | L551 L552 D554 P557 L563 M564 F591 D594 L599 | L551-K560 WeakPolarHBondContact O-CG 3.48Å; L552-K560 WeakPolarHBondContact O-CD 3.37Å; D554-K560 HydrophobicContact CB-CG 4.44Å; D554-K560 VanDerWaalsContact O-CE 3.31Å; D554-K560 WeakPolarHBondContact O-CE 3.43Å; P557-K560 PolarHBondContact O-N 3.33Å; K560-L563 PolarHBondContact O-N 2.92Å; K560-M564 VanDerWaalsContact O-CG 3.3Å; K560-M564 WeakPolarHBondContact O-CG 3.5Å; K560-M564 PolarHBondContact O-N 3.24Å; K560-M564 VanDerWaalsContact O-N 3.09Å; K560-F591 HydrophobicContact CB-CE1 4.49Å; K560-F591 HydrophobicContact CB-CE2 4.4Å; K560-F591 HydrophobicContact CB-CZ 4.14Å; K560-F591 HydrophobicContact CD-CD1 4.27Å; K560-F591 HydrophobicContact CD-CE1 3.75Å; K560-F591 HydrophobicContact CD-CZ 4.18Å; K560-F591 HydrophobicContact CG-CE1 4.27Å; K560-F591 HydrophobicContact CG-CZ 4.19Å; K560-D594 IonicContact NZ-OD2 3.37Å; K560-D594 PolarHBondContact NZ-OD2 3.07Å; K560-L599 HydrophobicContact CB-CD1 3.62Å; K560-L599 HydrophobicContact CB-CD2 4.11Å; K560-L599 HydrophobicContact CD-CD2 4.08Å |
| 561 | Q | 93.3 | Very high | 90.9 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 178.1 | -175.7 | -172.2 | -6.7 | 0 | 0 | 111.7 | P557 V559 L563 M564 E565 L599 A602 | P557-Q561 VanDerWaalsContact O-CB 3.3Å; P557-Q561 WeakPolarHBondContact O-CB 3.28Å; P557-Q561 PolarHBondContact O-N 2.7Å; V559-Q561 VanDerWaalsContact C-N 3.32Å; V559-Q561 PolarHBondContact O-N 2.89Å; Q561-L563 VanDerWaalsContact C-N 3.31Å; Q561-L563 PolarHBondContact O-N 2.9Å; Q561-M564 WeakPolarHBondContact O-CB 3.42Å; Q561-M564 PolarHBondContact O-N 3.17Å; Q561-M564 VanDerWaalsContact O-N 3.15Å; Q561-E565 HydrophobicContact CG-CG 4.42Å; Q561-E565 WeakPolarHBondContact CG-OE1 3.4Å; Q561-E565 PolarHBondContact NE2-OE1 2.89Å; Q561-E565 WeakPolarHBondContact O-CG 3.21Å; Q561-E565 PolarHBondContact O-N 3.27Å; Q561-L599 HydrophobicContact CB-CD1 4.26Å; Q561-A602 HydrophobicContact CG-CB 3.93Å |
| 562 | T | 94 | Very high | 90.7 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | V500 A503 R504 V558 V559 M564 E565 S566 | V500-T562 HydrophobicContact CG1-CG2 4.14Å; A503-T562 HydrophobicContact CB-CG2 4.3Å; R504-T562 HydrophobicContact CB-CG2 3.93Å; V558-T562 WeakPolarHBondContact O-CB 3.42Å; V558-T562 PolarHBondContact O-N 2.98Å; V558-T562 PolarHBondContact O-OG1 3.39Å; V559-T562 PolarHBondContact O-N 2.84Å; T562-M564 VanDerWaalsContact C-N 3.33Å; T562-M564 PolarHBondContact O-N 2.88Å; T562-E565 PolarHBondContact O-N 3.37Å; T562-S566 VanDerWaalsContact O-CB 3.3Å; T562-S566 WeakPolarHBondContact O-CB 3.5Å; T562-S566 PolarHBondContact O-N 3.38Å; T562-S566 PolarHBondContact O-OG 2.89Å |
| 563 | L | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 176 | -176.2 | 64.1 | 0 | 0 | 0 | 111.6 | A503 I506 V548 L551 L552 V559 K560 Q561 G567 I568 L571 | A503-L563 HydrophobicContact CB-CB 4.17Å; I506-L563 HydrophobicContact CG2-CD1 3.9Å; V548-L563 HydrophobicContact CG1-CD2 4.34Å; L551-L563 HydrophobicContact CB-CD2 3.89Å; L551-L563 HydrophobicContact CD1-CD1 4.24Å; L551-L563 HydrophobicContact CD1-CD2 4.43Å; L552-L563 HydrophobicContact CD2-CD2 3.57Å; L552-L563 HydrophobicContact CG-CD2 3.7Å; V559-L563 PolarHBondContact O-N 3.18Å; V559-L563 VanDerWaalsContact O-N 3.1Å; K560-L563 PolarHBondContact O-N 2.92Å; Q561-L563 VanDerWaalsContact C-N 3.31Å; Q561-L563 PolarHBondContact O-N 2.9Å; L563-G567 PolarHBondContact O-N 3Å; L563-I568 PolarHBondContact O-N 3.06Å; L563-L571 HydrophobicContact CD1-CD1 3.68Å |
| 564 | M | 90.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 177.1 | -71.8 | -60.8 | -61 | 0 | 0 | 112.2 | K560 Q561 T562 I568 I588 F591 A602 N606 | K560-M564 VanDerWaalsContact O-CG 3.3Å; K560-M564 WeakPolarHBondContact O-CG 3.5Å; K560-M564 PolarHBondContact O-N 3.24Å; K560-M564 VanDerWaalsContact O-N 3.09Å; Q561-M564 WeakPolarHBondContact O-CB 3.42Å; Q561-M564 PolarHBondContact O-N 3.17Å; Q561-M564 VanDerWaalsContact O-N 3.15Å; T562-M564 VanDerWaalsContact C-N 3.33Å; T562-M564 PolarHBondContact O-N 2.88Å; M564-I568 HydrophobicContact CE-CG2 4.5Å; M564-I568 WeakPolarHBondContact O-CG2 3.43Å; M564-I568 HydrophobicContact SD-CB 4.48Å; M564-I568 HydrophobicContact SD-CD1 4.28Å; M564-I568 HydrophobicContact SD-CG1 4.13Å; M564-I588 HydrophobicContact CE-CD1 3.85Å; M564-I588 HydrophobicContact CE-CG1 4.38Å; M564-I588 HydrophobicContact CE-CG2 3.97Å; M564-I588 HydrophobicContact SD-CD1 3.36Å; M564-I588 WeakPolarHBondContact SD-CD1 3.4Å; M564-I588 HydrophobicContact SD-CG1 3.65Å; M564-I588 HydrophobicContact SD-CG2 4.22Å; M564-F591 HydrophobicContact CG-CD2 4.17Å; M564-F591 HydrophobicContact CG-CE2 3.87Å; M564-F591 HydrophobicContact SD-CD2 4.2Å; M564-F591 HydrophobicContact SD-CE2 3.83Å; M564-A602 HydrophobicContact CB-CB 4.19Å; M564-N606 HydrophobicContact CE-CB 4.01Å; M564-N606 VanDerWaalsContact O-CG 3.23Å; M564-N606 PolarHBondContact O-ND2 2.89Å; M564-N606 PolarHBondContact O-OD1 3.48Å |
| 565 | E | 89.7 | Confident | 90.1 | Very high | 98 Ų | 98 | 33.3 Ų | 33.3 | 46% | 0.458 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -75.4 | -34.6 | -175.4 | -69.8 | 174.5 | 178.4 | 0 | 0 | 113.6 | Q561 T562 A602 | Q561-E565 HydrophobicContact CG-CG 4.42Å; Q561-E565 WeakPolarHBondContact CG-OE1 3.4Å; Q561-E565 PolarHBondContact NE2-OE1 2.89Å; Q561-E565 WeakPolarHBondContact O-CG 3.21Å; Q561-E565 PolarHBondContact O-N 3.27Å; T562-E565 PolarHBondContact O-N 3.37Å; E565-A602 HydrophobicContact CG-CB 4.18Å |
| 566 | S | 86.1 | Confident | 89.8 | Confident | 54 Ų | 54 | 30.5 Ų | 30.5 | 38% | 0.378 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -100.7 | -24.1 | -167.4 | -55.2 | 0 | 0 | 0 | 0 | 114.6 | T562 | T562-S566 VanDerWaalsContact O-CB 3.3Å; T562-S566 WeakPolarHBondContact O-CB 3.5Å; T562-S566 PolarHBondContact O-N 3.38Å; T562-S566 PolarHBondContact O-OG 2.89Å |
| 567 | G | 81.2 | Confident | 89.1 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -147.1 | -6.4 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | A507 L563 C569 D570 L571 | A507-G567 VanDerWaalsContact CB-CA 3.5Å; L563-G567 PolarHBondContact O-N 3Å; G567-C569 PolarHBondContact O-N 3.02Å; G567-D570 PolarHBondContact O-N 3.49Å; G567-L571 WeakPolarHBondContact O-CB 3.46Å; G567-L571 VanDerWaalsContact O-CG 3.27Å; G567-L571 WeakPolarHBondContact O-CG 3.4Å; G567-L571 PolarHBondContact O-N 3.16Å |
| 568 | I | 88.4 | Confident | 88.4 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | -167.4 | -156.8 | 69.5 | 0 | 0 | 0 | 113.7 | L563 M564 L571 C572 I584 I588 N606 V610 | L563-I568 PolarHBondContact O-N 3.06Å; M564-I568 HydrophobicContact CE-CG2 4.5Å; M564-I568 WeakPolarHBondContact O-CG2 3.43Å; M564-I568 HydrophobicContact SD-CB 4.48Å; M564-I568 HydrophobicContact SD-CD1 4.28Å; M564-I568 HydrophobicContact SD-CG1 4.13Å; I568-L571 PolarHBondContact O-N 3.04Å; I568-C572 PolarHBondContact O-N 3.45Å; I568-C572 PolarHBondContact O-SG 3.29Å; I568-I584 HydrophobicContact CD1-CD1 4.21Å; I568-I584 HydrophobicContact CD1-CG1 4.43Å; I568-I584 HydrophobicContact CD1-CG2 3.67Å; I568-I584 HydrophobicContact CG1-CG2 3.92Å; I568-I588 HydrophobicContact CD1-CD1 3.88Å; I568-I588 HydrophobicContact CG1-CD1 3.79Å; I568-N606 HydrophobicContact CG2-CB 3.94Å; I568-V610 HydrophobicContact CG1-CG2 4.23Å; I568-V610 HydrophobicContact CG2-CG2 4.13Å |
| 569 | C | 87.8 | Confident | 87.6 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 25% | 0.25 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | 179.3 | -65.8 | 0 | 0 | 0 | 0 | 111.8 | G567 L571 C572 A573 Y613 | G567-C569 PolarHBondContact O-N 3.02Å; C569-L571 VanDerWaalsContact C-N 3.32Å; C569-L571 PolarHBondContact O-N 3.04Å; C569-C572 WeakPolarHBondContact O-CB 3.45Å; C569-C572 PolarHBondContact O-N 3.41Å; C569-A573 PolarHBondContact O-N 3.18Å; C569-Y613 HydrophobicContact CB-CE2 4.34Å |
| 570 | D | 89.4 | Confident | 87 | Confident | 78 Ų | 78 | 39.8 Ų | 39.8 | 42% | 0.417 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 176.6 | -73.8 | -30.1 | 0 | 0 | 0 | 111.5 | A507 G567 A573 F574 | A507-D570 HydrophobicContact CB-CB 4Å; G567-D570 PolarHBondContact O-N 3.49Å; D570-A573 WeakPolarHBondContact O-CB 3.23Å; D570-A573 PolarHBondContact O-N 3.01Å; D570-F574 WeakPolarHBondContact O-CB 3.21Å; D570-F574 PolarHBondContact O-N 3.14Å |
| 571 | L | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 173.6 | -70.4 | 170.1 | 0 | 0 | 0 | 112.1 | I506 A507 A510 V544 V548 L563 G567 I568 C569 A573 F574 F575 I584 | I506-L571 HydrophobicContact CG2-CD1 4.34Å; A507-L571 HydrophobicContact CB-CD2 4.33Å; A507-L571 HydrophobicContact CB-CG 4Å; A510-L571 HydrophobicContact CB-CD2 4.44Å; V544-L571 HydrophobicContact CG1-CD2 4.29Å; V548-L571 HydrophobicContact CG1-CD1 4.48Å; V548-L571 HydrophobicContact CG2-CD1 3.99Å; V548-L571 HydrophobicContact CG2-CD2 4.09Å; L563-L571 HydrophobicContact CD1-CD1 3.68Å; G567-L571 WeakPolarHBondContact O-CB 3.46Å; G567-L571 VanDerWaalsContact O-CG 3.27Å; G567-L571 WeakPolarHBondContact O-CG 3.4Å; G567-L571 PolarHBondContact O-N 3.16Å; I568-L571 PolarHBondContact O-N 3.04Å; C569-L571 VanDerWaalsContact C-N 3.32Å; C569-L571 PolarHBondContact O-N 3.04Å; L571-A573 VanDerWaalsContact C-N 3.3Å; L571-A573 PolarHBondContact O-N 3.15Å; L571-F574 PolarHBondContact O-N 3.2Å; L571-F575 HydrophobicContact CB-CE2 4.38Å; L571-F575 HydrophobicContact CD2-CE2 4.43Å; L571-F575 WeakPolarHBondContact O-CD2 3.49Å; L571-F575 PolarHBondContact O-N 2.88Å; L571-I584 HydrophobicContact CB-CD1 4.07Å |
| 572 | C | 88.5 | Confident | 85.6 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 171.9 | -70.4 | 0 | 0 | 0 | 0 | 111.7 | I568 C569 G576 A580 Y613 | I568-C572 PolarHBondContact O-N 3.45Å; I568-C572 PolarHBondContact O-SG 3.29Å; C569-C572 WeakPolarHBondContact O-CB 3.45Å; C569-C572 PolarHBondContact O-N 3.41Å; C572-G576 PolarHBondContact O-N 2.88Å; C572-A580 HydrophobicContact CB-CB 4.26Å; C572-Y613 HydrophobicContact CB-CD2 4.03Å; C572-Y613 HydrophobicContact CB-CG 4.17Å |
| 573 | A | 87.5 | Confident | 84.9 | Confident | 50 Ų | 50 | 44.6 Ų | 44.6 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C569 D570 L571 Y613 | C569-A573 PolarHBondContact O-N 3.18Å; D570-A573 WeakPolarHBondContact O-CB 3.23Å; D570-A573 PolarHBondContact O-N 3.01Å; L571-A573 VanDerWaalsContact C-N 3.3Å; L571-A573 PolarHBondContact O-N 3.15Å; A573-Y613 HydrophobicContact CB-CE1 3.82Å |
| 574 | F | 88.8 | Confident | 84.4 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 11% | 0.105 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -53.3 | 177.2 | 172.5 | -103.8 | 0 | 0 | 0 | 112.2 | A510 V514 L540 H541 V544 D570 L571 G576 | A510-F574 HydrophobicContact CB-CD1 4.28Å; A510-F574 HydrophobicContact CB-CD2 3.93Å; A510-F574 HydrophobicContact CB-CE1 4.36Å; A510-F574 HydrophobicContact CB-CE2 4.05Å; A510-F574 HydrophobicContact CB-CG 4.06Å; A510-F574 HydrophobicContact CB-CZ 4.27Å; V514-F574 HydrophobicContact CG2-CD2 3.48Å; V514-F574 VanDerWaalsContact CG2-CD2 3.48Å; V514-F574 HydrophobicContact CG2-CE2 3.44Å; V514-F574 VanDerWaalsContact CG2-CE2 3.44Å; L540-F574 HydrophobicContact CB-CZ 4.39Å; H541-F574 AromaticContact CD2-CD1 3.92Å; H541-F574 AromaticContact CD2-CE1 3.47Å; H541-F574 VanDerWaalsContact CD2-CE1 3.47Å; H541-F574 WeakPolarHBondContact CD2-CE1 3.38Å; H541-F574 AromaticContact CD2-CZ 3.62Å; H541-F574 PolarHBondContact NE2-O 3.49Å; V544-F574 HydrophobicContact CB-CE1 3.76Å; V544-F574 HydrophobicContact CB-CZ 4.16Å; V544-F574 HydrophobicContact CG1-CD1 4.32Å; V544-F574 HydrophobicContact CG1-CE1 3.77Å; V544-F574 HydrophobicContact CG1-CZ 4.45Å; V544-F574 HydrophobicContact CG2-CE1 4.13Å; V544-F574 HydrophobicContact CG2-CZ 4.03Å; D570-F574 WeakPolarHBondContact O-CB 3.21Å; D570-F574 PolarHBondContact O-N 3.14Å; L571-F574 PolarHBondContact O-N 3.2Å; F574-G576 VanDerWaalsContact C-N 3.29Å; F574-G576 PolarHBondContact O-N 3.07Å |
| 575 | F | 87.1 | Confident | 84 | Confident | 9 Ų | 9 | 44.7 Ų | 44.7 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.5 | -21.4 | -177.1 | -71.2 | -61.5 | 0 | 0 | 0 | 114.2 | H541 V544 R545 V548 L571 K579 A580 I584 | H541-F575 AromaticContact CD2-CD1 3.85Å; V544-F575 HydrophobicContact CB-CZ 4.49Å; V544-F575 HydrophobicContact CG1-CZ 4Å; R545-F575 HydrophobicContact CB-CE1 3.88Å; R545-F575 HydrophobicContact CB-CZ 4.13Å; V548-F575 HydrophobicContact CG2-CE2 4.46Å; V548-F575 HydrophobicContact CG2-CZ 4.46Å; L571-F575 HydrophobicContact CB-CE2 4.38Å; L571-F575 HydrophobicContact CD2-CE2 4.43Å; L571-F575 WeakPolarHBondContact O-CD2 3.49Å; L571-F575 PolarHBondContact O-N 2.88Å; F575-K579 HydrophobicContact CB-CB 4.02Å; F575-K579 WeakPolarHBondContact O-CB 3.16Å; F575-A580 HydrophobicContact CB-CB 4.42Å; F575-I584 HydrophobicContact CD2-CD1 3.89Å; F575-I584 HydrophobicContact CE2-CD1 4.26Å |
| 576 | G | 83.8 | Confident | 83.6 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | trans | 74.6 | 170.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C572 F574 E578 A580 | C572-G576 PolarHBondContact O-N 2.88Å; F574-G576 VanDerWaalsContact C-N 3.29Å; F574-G576 PolarHBondContact O-N 3.07Å; G576-E578 PolarHBondContact O-N 3.41Å; G576-A580 WeakPolarHBondContact O-CB 3.38Å; G576-A580 PolarHBondContact O-N 3.32Å | ||
| 577 | K | 78.3 | Confident | 83.6 | Confident | 146 Ų | 146 | 42.7 Ų | 42.7 | 64% | 0.635 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.9 | -50 | -164.8 | -60 | -169.5 | 174.1 | 177.6 | 0 | 114.7 | N581 Y613 | K577-N581 PolarHBondContact O-N 2.95Å; K577-Y613 WeakPolarHBondContact CD-O 3.5Å; K577-Y613 WeakPolarHBondContact CE-O 3.39Å; K577-Y613 WeakPolarHBondContact CG-O 3.37Å |
| 578 | E | 77.6 | Confident | 83.8 | Confident | 165 Ų | 165 | 42.6 Ų | 42.6 | 77% | 0.771 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -68.5 | -51.6 | -174.8 | -66.6 | -176.6 | 169.2 | 0 | 0 | 111.4 | G576 A580 N581 D582 | G576-E578 PolarHBondContact O-N 3.41Å; E578-A580 VanDerWaalsContact C-N 3.34Å; E578-A580 PolarHBondContact O-N 2.76Å; E578-N581 WeakPolarHBondContact O-CB 3.46Å; E578-N581 PolarHBondContact O-N 2.83Å; E578-D582 PolarHBondContact O-N 3.21Å |
| 579 | K | 78.3 | Confident | 83.5 | Confident | 65 Ų | 65 | 44.9 Ų | 44.9 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.5 | -34.7 | -179.7 | -63.4 | -177 | -176.2 | -178.9 | 0 | 112.3 | N538 H541 F575 N581 D582 V583 | N538-K579 PolarHBondContact OD1-NZ 3.49Å; H541-K579 PolarHBondContact ND1-NZ 3.37Å; F575-K579 HydrophobicContact CB-CB 4.02Å; F575-K579 WeakPolarHBondContact O-CB 3.16Å; K579-N581 VanDerWaalsContact C-N 3.35Å; K579-D582 PolarHBondContact O-N 3Å; K579-V583 VanDerWaalsContact O-CB 3.27Å; K579-V583 WeakPolarHBondContact O-CB 3.47Å; K579-V583 VanDerWaalsContact O-CG2 3.27Å; K579-V583 WeakPolarHBondContact O-CG2 3.41Å; K579-V583 PolarHBondContact O-N 3.38Å |
| 580 | A | 81.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | C572 F575 G576 E578 I584 L585 | C572-A580 HydrophobicContact CB-CB 4.26Å; F575-A580 HydrophobicContact CB-CB 4.42Å; G576-A580 WeakPolarHBondContact O-CB 3.38Å; G576-A580 PolarHBondContact O-N 3.32Å; E578-A580 VanDerWaalsContact C-N 3.34Å; E578-A580 PolarHBondContact O-N 2.76Å; A580-I584 WeakPolarHBondContact O-CA 3.03Å; A580-I584 VanDerWaalsContact O-CB 3.29Å; A580-I584 WeakPolarHBondContact O-CB 3.41Å; A580-I584 PolarHBondContact O-N 2.96Å; A580-L585 PolarHBondContact O-N 3.19Å |
| 581 | N | 79.4 | Confident | 83.2 | Confident | 55 Ų | 55 | 43.4 Ų | 43.4 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -62.3 | -46.8 | 175.5 | -168.3 | 24.3 | 0 | 0 | 0 | 111.4 | K577 E578 K579 L585 V614 | K577-N581 PolarHBondContact O-N 2.95Å; E578-N581 WeakPolarHBondContact O-CB 3.46Å; E578-N581 PolarHBondContact O-N 2.83Å; K579-N581 VanDerWaalsContact C-N 3.35Å; N581-L585 WeakPolarHBondContact O-CB 3.38Å; N581-L585 WeakPolarHBondContact OD1-CD2 3.23Å; N581-V614 HydrophobicContact CB-CG1 4.3Å |
| 582 | D | 77.8 | Confident | 82.9 | Confident | 113 Ų | 113 | 43.8 Ų | 43.8 | 60% | 0.604 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -70.3 | -42.8 | -177.7 | -73.3 | -9.1 | 0 | 0 | 0 | 113.3 | E578 K579 S586 | E578-D582 PolarHBondContact O-N 3.21Å; K579-D582 PolarHBondContact O-N 3Å; D582-S586 PolarHBondContact O-OG 2.68Å |
| 583 | V | 77.8 | Confident | 82.8 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -86.3 | -46.2 | -172.3 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | R545 L549 K579 H587 | R545-V583 HydrophobicContact CG-CG1 4.12Å; R545-V583 HydrophobicContact CG-CG2 4.15Å; L549-V583 HydrophobicContact CD2-CG1 3.91Å; L549-V583 HydrophobicContact CG-CG1 4.17Å; K579-V583 VanDerWaalsContact O-CB 3.27Å; K579-V583 WeakPolarHBondContact O-CB 3.47Å; K579-V583 VanDerWaalsContact O-CG2 3.27Å; K579-V583 WeakPolarHBondContact O-CG2 3.41Å; K579-V583 PolarHBondContact O-N 3.38Å; V583-H587 PolarHBondContact O-ND1 3.4Å |
| 584 | I | 83.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -94.5 | -52 | -167.5 | -69.6 | 174.8 | 0 | 0 | 0 | 110.9 | I568 L571 F575 A580 S586 H587 I588 | I568-I584 HydrophobicContact CD1-CD1 4.21Å; I568-I584 HydrophobicContact CD1-CG1 4.43Å; I568-I584 HydrophobicContact CD1-CG2 3.67Å; I568-I584 HydrophobicContact CG1-CG2 3.92Å; L571-I584 HydrophobicContact CB-CD1 4.07Å; F575-I584 HydrophobicContact CD2-CD1 3.89Å; F575-I584 HydrophobicContact CE2-CD1 4.26Å; A580-I584 WeakPolarHBondContact O-CA 3.03Å; A580-I584 VanDerWaalsContact O-CB 3.29Å; A580-I584 WeakPolarHBondContact O-CB 3.41Å; A580-I584 PolarHBondContact O-N 2.96Å; I584-S586 PolarHBondContact O-N 2.99Å; I584-H587 PolarHBondContact O-N 3.45Å; I584-I588 HydrophobicContact CG2-CD1 3.23Å; I584-I588 HydrophobicContact CG2-CG1 4.1Å; I584-I588 WeakPolarHBondContact O-CB 3.39Å; I584-I588 VanDerWaalsContact O-CG1 3.29Å; I584-I588 WeakPolarHBondContact O-CG1 3.23Å; I584-I588 PolarHBondContact O-N 3.08Å |
| 585 | L | 82 | Confident | 82.6 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -62.5 | -44.9 | -171.8 | -163.1 | 79.1 | 0 | 0 | 0 | 111.6 | A580 N581 H587 I588 M589 I607 V610 I621 L622 | A580-L585 PolarHBondContact O-N 3.19Å; N581-L585 WeakPolarHBondContact O-CB 3.38Å; N581-L585 WeakPolarHBondContact OD1-CD2 3.23Å; L585-H587 VanDerWaalsContact C-N 3.31Å; L585-H587 PolarHBondContact O-N 3.1Å; L585-I588 PolarHBondContact O-N 3.41Å; L585-M589 HydrophobicContact CB-CE 4.4Å; L585-M589 HydrophobicContact CD2-CE 3.48Å; L585-M589 VanDerWaalsContact CD2-CE 3.48Å; L585-M589 HydrophobicContact CG-CE 3.55Å; L585-M589 WeakPolarHBondContact O-CG 3.44Å; L585-M589 PolarHBondContact O-N 3.12Å; L585-I607 HydrophobicContact CD1-CD1 4.23Å; L585-V610 HydrophobicContact CD1-CG1 4.06Å; L585-I621 HydrophobicContact CD2-CG2 4.34Å; L585-L622 HydrophobicContact CD1-CD2 4.32Å |
| 586 | S | 82.1 | Confident | 82.7 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.9 | -41.2 | 179.8 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | D582 I584 | D582-S586 PolarHBondContact O-OG 2.68Å; I584-S586 PolarHBondContact O-N 2.99Å |
| 587 | H | 85.3 | Confident | 83 | Confident | 54 Ų | 54 | 60 Ų | 60 | 25% | 0.25 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -79.7 | -40.2 | -179.3 | -66.2 | 81.7 | 0 | 0 | 0 | 111.5 | L549 L552 V583 I584 L585 M589 T590 | L549-H587 WeakPolarHBondContact CD2-CE1 3.36Å; L552-H587 HydrophobicContact CB-CB 4.15Å; L552-H587 HydrophobicContact CD1-CB 4.1Å; V583-H587 PolarHBondContact O-ND1 3.4Å; I584-H587 PolarHBondContact O-N 3.45Å; L585-H587 VanDerWaalsContact C-N 3.31Å; L585-H587 PolarHBondContact O-N 3.1Å; H587-M589 VanDerWaalsContact C-N 3.26Å; H587-M589 PolarHBondContact O-N 2.93Å; H587-T590 WeakPolarHBondContact O-CB 3.4Å; H587-T590 PolarHBondContact O-N 3.5Å; H587-T590 PolarHBondContact O-OG1 3.26Å |
| 588 | I | 84.9 | Confident | 83.7 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -32.1 | 179.4 | -69.9 | 177.1 | 0 | 0 | 0 | 111.6 | L552 M564 I568 I584 L585 T590 F591 F603 | L552-I588 HydrophobicContact CD2-CG1 4.19Å; M564-I588 HydrophobicContact CE-CD1 3.85Å; M564-I588 HydrophobicContact CE-CG1 4.38Å; M564-I588 HydrophobicContact CE-CG2 3.97Å; M564-I588 HydrophobicContact SD-CD1 3.36Å; M564-I588 WeakPolarHBondContact SD-CD1 3.4Å; M564-I588 HydrophobicContact SD-CG1 3.65Å; M564-I588 HydrophobicContact SD-CG2 4.22Å; I568-I588 HydrophobicContact CD1-CD1 3.88Å; I568-I588 HydrophobicContact CG1-CD1 3.79Å; I584-I588 HydrophobicContact CG2-CD1 3.23Å; I584-I588 HydrophobicContact CG2-CG1 4.1Å; I584-I588 WeakPolarHBondContact O-CB 3.39Å; I584-I588 VanDerWaalsContact O-CG1 3.29Å; I584-I588 WeakPolarHBondContact O-CG1 3.23Å; I584-I588 PolarHBondContact O-N 3.08Å; L585-I588 PolarHBondContact O-N 3.41Å; I588-T590 PolarHBondContact O-N 2.62Å; I588-F591 HydrophobicContact CB-CD2 4.25Å; I588-F591 HydrophobicContact CB-CE2 4.3Å; I588-F591 HydrophobicContact CG1-CD2 4.19Å; I588-F591 HydrophobicContact CG1-CE2 3.78Å; I588-F591 HydrophobicContact CG1-CZ 4.39Å; I588-F591 HydrophobicContact CG2-CD2 4.11Å; I588-F591 WeakPolarHBondContact O-CB 3.36Å; I588-F591 WeakPolarHBondContact O-CG 3.44Å; I588-F591 PolarHBondContact O-N 3.12Å; I588-F603 HydrophobicContact CG2-CD2 3.19Å; I588-F603 HydrophobicContact CG2-CE2 3.46Å; I588-F603 VanDerWaalsContact CG2-CE2 3.46Å; I588-F603 HydrophobicContact CG2-CG 4.32Å; I588-F603 WeakPolarHBondContact O-CD2 3.45Å |
| 589 | M | 81.7 | Confident | 84.3 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.8 | -33 | 173 | -73.3 | -176.2 | -147.6 | 0 | 0 | 112.8 | L585 H587 F591 L592 I621 L625 | L585-M589 HydrophobicContact CB-CE 4.4Å; L585-M589 HydrophobicContact CD2-CE 3.48Å; L585-M589 VanDerWaalsContact CD2-CE 3.48Å; L585-M589 HydrophobicContact CG-CE 3.55Å; L585-M589 WeakPolarHBondContact O-CG 3.44Å; L585-M589 PolarHBondContact O-N 3.12Å; H587-M589 VanDerWaalsContact C-N 3.26Å; H587-M589 PolarHBondContact O-N 2.93Å; M589-F591 PolarHBondContact O-N 3.04Å; M589-L592 PolarHBondContact O-N 2.92Å; M589-I621 HydrophobicContact CE-CG2 3.32Å; M589-I621 HydrophobicContact SD-CG2 4.18Å; M589-L625 HydrophobicContact CB-CD2 4.45Å; M589-L625 HydrophobicContact CE-CD1 4.23Å; M589-L625 HydrophobicContact CG-CD1 3.59Å; M589-L625 HydrophobicContact CG-CD2 4.09Å; M589-L625 HydrophobicContact SD-CD1 3.92Å; M589-L625 HydrophobicContact SD-CD2 4.39Å |
| 590 | T | 84.9 | Confident | 85 | Confident | 82 Ų | 82 | 46.1 Ų | 46.1 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.7 | -21.1 | 178.9 | 73 | 0 | 0 | 0 | 0 | 112.5 | H587 I588 L592 N593 | H587-T590 WeakPolarHBondContact O-CB 3.4Å; H587-T590 PolarHBondContact O-N 3.5Å; H587-T590 PolarHBondContact O-OG1 3.26Å; I588-T590 PolarHBondContact O-N 2.62Å; T590-L592 VanDerWaalsContact C-N 3.25Å; T590-L592 PolarHBondContact O-N 2.72Å; T590-N593 PolarHBondContact O-N 3.42Å; T590-N593 VanDerWaalsContact O-N 3.14Å |
| 591 | F | 87 | Confident | 85.5 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.3 | -25.9 | -178 | -60.8 | -8.3 | 0 | 0 | 0 | 112.6 | L552 K560 M564 I588 M589 N593 D594 L599 R600 | L552-F591 HydrophobicContact CB-CZ 4.32Å; L552-F591 HydrophobicContact CD2-CE2 3.99Å; L552-F591 HydrophobicContact CD2-CZ 3.6Å; L552-F591 VanDerWaalsContact O-CE1 3.31Å; L552-F591 WeakPolarHBondContact O-CE1 3.36Å; K560-F591 HydrophobicContact CB-CE1 4.49Å; K560-F591 HydrophobicContact CB-CE2 4.4Å; K560-F591 HydrophobicContact CB-CZ 4.14Å; K560-F591 HydrophobicContact CD-CD1 4.27Å; K560-F591 HydrophobicContact CD-CE1 3.75Å; K560-F591 HydrophobicContact CD-CZ 4.18Å; K560-F591 HydrophobicContact CG-CE1 4.27Å; K560-F591 HydrophobicContact CG-CZ 4.19Å; M564-F591 HydrophobicContact CG-CD2 4.17Å; M564-F591 HydrophobicContact CG-CE2 3.87Å; M564-F591 HydrophobicContact SD-CD2 4.2Å; M564-F591 HydrophobicContact SD-CE2 3.83Å; I588-F591 HydrophobicContact CB-CD2 4.25Å; I588-F591 HydrophobicContact CB-CE2 4.3Å; I588-F591 HydrophobicContact CG1-CD2 4.19Å; I588-F591 HydrophobicContact CG1-CE2 3.78Å; I588-F591 HydrophobicContact CG1-CZ 4.39Å; I588-F591 HydrophobicContact CG2-CD2 4.11Å; I588-F591 WeakPolarHBondContact O-CB 3.36Å; I588-F591 WeakPolarHBondContact O-CG 3.44Å; I588-F591 PolarHBondContact O-N 3.12Å; M589-F591 PolarHBondContact O-N 3.04Å; F591-N593 PolarHBondContact O-N 3.34Å; F591-D594 VanDerWaalsContact O-CB 3.3Å; F591-D594 WeakPolarHBondContact O-CB 3.37Å; F591-D594 PolarHBondContact O-N 2.93Å; F591-D594 VanDerWaalsContact O-N 3.12Å; F591-L599 HydrophobicContact CB-CD1 4.44Å; F591-L599 HydrophobicContact CB-CD2 4.2Å; F591-L599 HydrophobicContact CB-CG 4.05Å; F591-L599 HydrophobicContact CD1-CD2 4.35Å; F591-L599 HydrophobicContact CD2-CD1 3.91Å; F591-L599 HydrophobicContact CD2-CG 4.43Å; F591-L599 HydrophobicContact CE2-CD1 4.37Å; F591-L599 HydrophobicContact CG-CD1 4.18Å; F591-L599 HydrophobicContact CG-CD2 4.2Å; F591-L599 HydrophobicContact CG-CG 4.23Å; F591-R600 WeakPolarHBondContact O-CG 3.41Å |
| 592 | L | 84.8 | Confident | 86 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.5 | 175.7 | -68.5 | -178.7 | 0 | 0 | 0 | 113.5 | M589 T590 R600 F603 Y604 L625 | M589-L592 PolarHBondContact O-N 2.92Å; T590-L592 VanDerWaalsContact C-N 3.25Å; T590-L592 PolarHBondContact O-N 2.72Å; L592-R600 WeakPolarHBondContact O-CD 3.36Å; L592-F603 HydrophobicContact CD1-CE1 4.02Å; L592-F603 HydrophobicContact CD1-CE2 4.15Å; L592-F603 HydrophobicContact CD1-CZ 3.84Å; L592-F603 HydrophobicContact CD2-CB 4.31Å; L592-F603 HydrophobicContact CD2-CD1 3.52Å; L592-F603 HydrophobicContact CD2-CD2 4.13Å; L592-F603 HydrophobicContact CD2-CE1 3.84Å; L592-F603 HydrophobicContact CD2-CE2 4.39Å; L592-F603 HydrophobicContact CD2-CG 3.74Å; L592-F603 HydrophobicContact CD2-CZ 4.29Å; L592-F603 HydrophobicContact CG-CD1 4.21Å; L592-F603 HydrophobicContact CG-CD2 4.09Å; L592-F603 HydrophobicContact CG-CE1 4.18Å; L592-F603 HydrophobicContact CG-CE2 4.04Å; L592-F603 HydrophobicContact CG-CG 4.22Å; L592-F603 HydrophobicContact CG-CZ 4.13Å; L592-Y604 HydrophobicContact CD2-CE1 4.3Å; L592-Y604 HydrophobicContact CD2-CE2 3.62Å; L592-Y604 VanDerWaalsContact CD2-CZ 3.47Å; L592-Y604 WeakPolarHBondContact CD2-OH 3.38Å; L592-L625 HydrophobicContact CD1-CB 3.88Å; L592-L625 HydrophobicContact CD1-CD2 3.93Å; L592-L625 HydrophobicContact CD1-CG 4.47Å |
| 593 | N | 85.4 | Confident | 86.7 | Confident | 124 Ų | 124 | 38.1 Ų | 38.1 | 66% | 0.663 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 0.4 | 177.8 | -59.1 | -33.9 | 0 | 0 | 0 | 112.5 | T590 F591 Q628 | T590-N593 PolarHBondContact O-N 3.42Å; T590-N593 VanDerWaalsContact O-N 3.14Å; F591-N593 PolarHBondContact O-N 3.34Å; N593-Q628 PolarHBondContact OD1-NE2 2.95Å |
| 594 | D | 87.1 | Confident | 87.3 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -72.6 | 146.7 | 176.7 | -158.8 | -66.1 | 0 | 0 | 0 | 110.4 | K560 F591 D596 L599 R600 | K560-D594 IonicContact NZ-OD2 3.37Å; K560-D594 PolarHBondContact NZ-OD2 3.07Å; F591-D594 VanDerWaalsContact O-CB 3.3Å; F591-D594 WeakPolarHBondContact O-CB 3.37Å; F591-D594 PolarHBondContact O-N 2.93Å; F591-D594 VanDerWaalsContact O-N 3.12Å; D594-D596 VanDerWaalsContact C-N 3.28Å; D594-D596 PolarHBondContact O-N 3.22Å; D594-D596 PolarHBondContact OD1-N 3.26Å; D594-L599 HydrophobicContact CB-CD2 3.85Å; D594-L599 WeakPolarHBondContact OD2-CD2 3.33Å; D594-R600 WeakPolarHBondContact O-CD 3.45Å; D594-R600 PolarHBondContact O-NH1 2.9Å |
| 595 | E | 84.3 | Confident | 87.7 | Confident | 170 Ų | 170 | 41.2 Ų | 41.2 | 79% | 0.794 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -67.9 | -30.5 | 177.5 | -66.3 | -172.7 | 171.7 | 0 | 0 | 111.7 | K597 R600 | E595-K597 PolarHBondContact O-N 3.49Å; E595-R600 PolarHBondContact O-NH1 3.45Å |
| 596 | D | 89.9 | Confident | 88 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | trans | -70.4 | 116.7 | -176.4 | -177.8 | 54.3 | 0 | 0 | 0 | 112.4 | P557 D594 N598 L599 R600 | P557-D596 HydrophobicContact CB-CB 3.64Å; P557-D596 HydrophobicContact CG-CB 3.99Å; D594-D596 VanDerWaalsContact C-N 3.28Å; D594-D596 PolarHBondContact O-N 3.22Å; D594-D596 PolarHBondContact OD1-N 3.26Å; D596-N598 VanDerWaalsContact C-N 3.29Å; D596-N598 PolarHBondContact O-N 2.62Å; D596-N598 WeakPolarHBondContact OD2-CB 3.17Å; D596-N598 PolarHBondContact OD2-N 3.25Å; D596-L599 HydrophobicContact CB-CB 4.25Å; D596-L599 PolarHBondContact O-N 3.34Å; D596-L599 PolarHBondContact OD2-N 3.12Å; D596-R600 PolarHBondContact O-N 3.09Å | ||
| 597 | K | 90.3 | Very high | 88.3 | Confident | 84 Ų | 84 | 40 Ų | 40 | 37% | 0.365 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.8 | -31.7 | -179.3 | 67.2 | -166.4 | -158.3 | 166.4 | 0 | 113.3 | E595 G601 E634 F636 | E595-K597 PolarHBondContact O-N 3.49Å; K597-G601 PolarHBondContact O-N 3.24Å; K597-E634 HydrophobicContact CB-CG 3.89Å; K597-E634 HydrophobicContact CD-CG 4.02Å; K597-E634 WeakPolarHBondContact CD-OE2 3.48Å; K597-E634 IonicContact NZ-OE2 2.79Å; K597-E634 PolarHBondContact NZ-OE2 3.18Å; K597-F636 HydrophobicContact CB-CE1 3.8Å; K597-F636 HydrophobicContact CB-CZ 3.66Å; K597-F636 HydrophobicContact CD-CE1 3.82Å; K597-F636 HydrophobicContact CD-CZ 4.24Å; K597-F636 HydrophobicContact CG-CE1 3.82Å; K597-F636 HydrophobicContact CG-CZ 3.72Å; K597-F636 WeakPolarHBondContact O-CZ 3.43Å |
| 598 | N | 92 | Very high | 88.3 | Confident | 70 Ų | 70 | 37.8 Ų | 37.8 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71.9 | -40.8 | -178.5 | -58.6 | -54.3 | 0 | 0 | 0 | 110.5 | D596 G601 A602 | D596-N598 VanDerWaalsContact C-N 3.29Å; D596-N598 PolarHBondContact O-N 2.62Å; D596-N598 WeakPolarHBondContact OD2-CB 3.17Å; D596-N598 PolarHBondContact OD2-N 3.25Å; N598-G601 CarbonylContact O-C 3.41Å; N598-G601 PolarHBondContact O-N 3.15Å; N598-A602 WeakPolarHBondContact O-CB 3.37Å; N598-A602 PolarHBondContact O-N 3.26Å |
| 599 | L | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 173.3 | -177.7 | 60.8 | 0 | 0 | 0 | 112.3 | P557 K560 Q561 F591 D594 D596 G601 A602 F603 | P557-L599 HydrophobicContact CB-CB 4.48Å; P557-L599 HydrophobicContact CB-CD2 4.34Å; K560-L599 HydrophobicContact CB-CD1 3.62Å; K560-L599 HydrophobicContact CB-CD2 4.11Å; K560-L599 HydrophobicContact CD-CD2 4.08Å; Q561-L599 HydrophobicContact CB-CD1 4.26Å; F591-L599 HydrophobicContact CB-CD1 4.44Å; F591-L599 HydrophobicContact CB-CD2 4.2Å; F591-L599 HydrophobicContact CB-CG 4.05Å; F591-L599 HydrophobicContact CD1-CD2 4.35Å; F591-L599 HydrophobicContact CD2-CD1 3.91Å; F591-L599 HydrophobicContact CD2-CG 4.43Å; F591-L599 HydrophobicContact CE2-CD1 4.37Å; F591-L599 HydrophobicContact CG-CD1 4.18Å; F591-L599 HydrophobicContact CG-CD2 4.2Å; F591-L599 HydrophobicContact CG-CG 4.23Å; D594-L599 HydrophobicContact CB-CD2 3.85Å; D594-L599 WeakPolarHBondContact OD2-CD2 3.33Å; D596-L599 HydrophobicContact CB-CB 4.25Å; D596-L599 PolarHBondContact O-N 3.34Å; D596-L599 PolarHBondContact OD2-N 3.12Å; L599-G601 VanDerWaalsContact C-N 3.28Å; L599-G601 PolarHBondContact O-N 2.95Å; L599-A602 PolarHBondContact O-N 3.34Å; L599-F603 PolarHBondContact O-N 3.2Å |
| 600 | R | 92.4 | Very high | 88.3 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -39.7 | 173.4 | -62.8 | -160.4 | -55.5 | -92.6 | -1 | 111.8 | F591 L592 D594 E595 D596 F603 Y604 D632 V637 | F591-R600 WeakPolarHBondContact O-CG 3.41Å; L592-R600 WeakPolarHBondContact O-CD 3.36Å; D594-R600 WeakPolarHBondContact O-CD 3.45Å; D594-R600 PolarHBondContact O-NH1 2.9Å; E595-R600 PolarHBondContact O-NH1 3.45Å; D596-R600 PolarHBondContact O-N 3.09Å; R600-F603 WeakPolarHBondContact O-CB 3.22Å; R600-F603 PolarHBondContact O-N 3.47Å; R600-Y604 WeakPolarHBondContact O-CD2 3.45Å; R600-Y604 PolarHBondContact O-N 2.91Å; R600-D632 IonicContact CZ-OD1 3.97Å; R600-D632 IonicContact CZ-OD2 2.98Å; R600-D632 IonicContact NE-OD1 2.85Å; R600-D632 IonicContact NE-OD2 2.71Å; R600-D632 PolarHBondContact NE-OD2 2.78Å; R600-D632 IonicContact NH2-OD1 3.68Å; R600-D632 PolarHBondContact NH2-OD1 3.02Å; R600-D632 IonicContact NH2-OD2 3.5Å; R600-V637 HydrophobicContact CB-CG1 4.15Å |
| 601 | G | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K597 N598 L599 F603 Y604 D605 K640 | K597-G601 PolarHBondContact O-N 3.24Å; N598-G601 CarbonylContact O-C 3.41Å; N598-G601 PolarHBondContact O-N 3.15Å; L599-G601 VanDerWaalsContact C-N 3.28Å; L599-G601 PolarHBondContact O-N 2.95Å; G601-F603 VanDerWaalsContact C-N 3.29Å; G601-F603 PolarHBondContact O-N 3.02Å; G601-Y604 PolarHBondContact O-N 3.32Å; G601-Y604 VanDerWaalsContact O-N 3.11Å; G601-D605 PolarHBondContact O-N 3.5Å; G601-D605 VanDerWaalsContact O-N 3.09Å; G601-K640 WeakPolarHBondContact O-CD 3.09Å |
| 602 | A | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -30.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q561 M564 E565 N598 L599 N606 | Q561-A602 HydrophobicContact CG-CB 3.93Å; M564-A602 HydrophobicContact CB-CB 4.19Å; E565-A602 HydrophobicContact CG-CB 4.18Å; N598-A602 WeakPolarHBondContact O-CB 3.37Å; N598-A602 PolarHBondContact O-N 3.26Å; L599-A602 PolarHBondContact O-N 3.34Å; A602-N606 PolarHBondContact O-N 3.3Å; A602-N606 PolarHBondContact O-ND2 3.12Å |
| 603 | F | 92.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54 | -55.2 | 166.6 | 171.8 | -78.7 | 0 | 0 | 0 | 110.9 | I588 L592 L599 R600 G601 D605 N606 I607 L625 | I588-F603 HydrophobicContact CG2-CD2 3.19Å; I588-F603 HydrophobicContact CG2-CE2 3.46Å; I588-F603 VanDerWaalsContact CG2-CE2 3.46Å; I588-F603 HydrophobicContact CG2-CG 4.32Å; I588-F603 WeakPolarHBondContact O-CD2 3.45Å; L592-F603 HydrophobicContact CD1-CE1 4.02Å; L592-F603 HydrophobicContact CD1-CE2 4.15Å; L592-F603 HydrophobicContact CD1-CZ 3.84Å; L592-F603 HydrophobicContact CD2-CB 4.31Å; L592-F603 HydrophobicContact CD2-CD1 3.52Å; L592-F603 HydrophobicContact CD2-CD2 4.13Å; L592-F603 HydrophobicContact CD2-CE1 3.84Å; L592-F603 HydrophobicContact CD2-CE2 4.39Å; L592-F603 HydrophobicContact CD2-CG 3.74Å; L592-F603 HydrophobicContact CD2-CZ 4.29Å; L592-F603 HydrophobicContact CG-CD1 4.21Å; L592-F603 HydrophobicContact CG-CD2 4.09Å; L592-F603 HydrophobicContact CG-CE1 4.18Å; L592-F603 HydrophobicContact CG-CE2 4.04Å; L592-F603 HydrophobicContact CG-CG 4.22Å; L592-F603 HydrophobicContact CG-CZ 4.13Å; L599-F603 PolarHBondContact O-N 3.2Å; R600-F603 WeakPolarHBondContact O-CB 3.22Å; R600-F603 PolarHBondContact O-N 3.47Å; G601-F603 VanDerWaalsContact C-N 3.29Å; G601-F603 PolarHBondContact O-N 3.02Å; F603-D605 PolarHBondContact O-N 3.14Å; F603-N606 PolarHBondContact O-N 3.49Å; F603-I607 HydrophobicContact CD1-CB 4.41Å; F603-I607 HydrophobicContact CE1-CB 4.05Å; F603-I607 HydrophobicContact CE1-CD1 4.43Å; F603-I607 HydrophobicContact CE1-CG1 4.02Å; F603-I607 HydrophobicContact CE1-CG2 4.28Å; F603-I607 HydrophobicContact CE2-CD1 4.17Å; F603-I607 HydrophobicContact CZ-CB 4.31Å; F603-I607 HydrophobicContact CZ-CD1 3.84Å; F603-I607 HydrophobicContact CZ-CG1 3.88Å; F603-I607 WeakPolarHBondContact O-CB 3.16Å; F603-I607 PolarHBondContact O-N 3.26Å; F603-L625 HydrophobicContact CZ-CB 4.39Å |
| 604 | Y | 91.5 | Very high | 86.7 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70 | -31.6 | -173.6 | -71.5 | -62.7 | 0 | 0 | 0 | 113 | L592 R600 G601 N606 L625 L626 G629 V637 A641 A644 | L592-Y604 HydrophobicContact CD2-CE1 4.3Å; L592-Y604 HydrophobicContact CD2-CE2 3.62Å; L592-Y604 VanDerWaalsContact CD2-CZ 3.47Å; L592-Y604 WeakPolarHBondContact CD2-OH 3.38Å; R600-Y604 WeakPolarHBondContact O-CD2 3.45Å; R600-Y604 PolarHBondContact O-N 2.91Å; G601-Y604 PolarHBondContact O-N 3.32Å; G601-Y604 VanDerWaalsContact O-N 3.11Å; Y604-N606 VanDerWaalsContact C-N 3.25Å; Y604-N606 PolarHBondContact O-N 2.88Å; Y604-L625 PolarHBondContact OH-O 2.87Å; Y604-L626 HydrophobicContact CD1-CD2 4.13Å; Y604-L626 HydrophobicContact CE1-CD2 4.12Å; Y604-G629 WeakPolarHBondContact OH-CA 3.27Å; Y604-G629 PolarHBondContact OH-N 3.3Å; Y604-V637 HydrophobicContact CD2-CG1 3.75Å; Y604-V637 HydrophobicContact CE2-CG1 3.7Å; Y604-A641 HydrophobicContact CD1-CB 3.76Å; Y604-A641 HydrophobicContact CD2-CB 4.04Å; Y604-A641 HydrophobicContact CE1-CB 3.8Å; Y604-A641 HydrophobicContact CE2-CB 4.06Å; Y604-A641 HydrophobicContact CG-CB 3.91Å; Y604-A644 HydrophobicContact CD1-CB 4.31Å; Y604-A644 VanDerWaalsContact O-CB 3.22Å; Y604-A644 WeakPolarHBondContact O-CB 3.43Å |
| 605 | D | 90.6 | Very high | 85.9 | Confident | 64 Ų | 64 | 32.4 Ų | 32.4 | 34% | 0.342 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.1 | -31.9 | 175.2 | -70.6 | -28.9 | 0 | 0 | 0 | 112.4 | G601 F603 K640 | G601-D605 PolarHBondContact O-N 3.5Å; G601-D605 VanDerWaalsContact O-N 3.09Å; F603-D605 PolarHBondContact O-N 3.14Å; D605-K640 WeakPolarHBondContact OD1-CD 3.28Å; D605-K640 IonicContact OD1-NZ 3.54Å; D605-K640 VanDerWaalsContact OD2-CE 3.25Å; D605-K640 WeakPolarHBondContact OD2-CE 3.37Å; D605-K640 IonicContact OD2-NZ 3.13Å; D605-K640 PolarHBondContact OD2-NZ 2.85Å |
| 606 | N | 89.2 | Confident | 85.1 | Confident | 31 Ų | 31 | 32.1 Ų | 32.1 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -109.3 | -15.9 | -170.5 | -65.6 | -69.6 | 0 | 0 | 0 | 114.7 | M564 I568 A602 F603 Y604 A608 G609 V610 | M564-N606 HydrophobicContact CE-CB 4.01Å; M564-N606 VanDerWaalsContact O-CG 3.23Å; M564-N606 PolarHBondContact O-ND2 2.89Å; M564-N606 PolarHBondContact O-OD1 3.48Å; I568-N606 HydrophobicContact CG2-CB 3.94Å; A602-N606 PolarHBondContact O-N 3.3Å; A602-N606 PolarHBondContact O-ND2 3.12Å; F603-N606 PolarHBondContact O-N 3.49Å; Y604-N606 VanDerWaalsContact C-N 3.25Å; Y604-N606 PolarHBondContact O-N 2.88Å; N606-A608 PolarHBondContact O-N 3.46Å; N606-G609 PolarHBondContact O-N 3.39Å; N606-V610 PolarHBondContact O-N 3.26Å |
| 607 | I | 87.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -32.5 | -176.9 | -168.3 | 58.9 | 0 | 0 | 0 | 112.9 | L585 F603 G609 V610 A611 L622 L626 A644 | L585-I607 HydrophobicContact CD1-CD1 4.23Å; F603-I607 HydrophobicContact CD1-CB 4.41Å; F603-I607 HydrophobicContact CE1-CB 4.05Å; F603-I607 HydrophobicContact CE1-CD1 4.43Å; F603-I607 HydrophobicContact CE1-CG1 4.02Å; F603-I607 HydrophobicContact CE1-CG2 4.28Å; F603-I607 HydrophobicContact CE2-CD1 4.17Å; F603-I607 HydrophobicContact CZ-CB 4.31Å; F603-I607 HydrophobicContact CZ-CD1 3.84Å; F603-I607 HydrophobicContact CZ-CG1 3.88Å; F603-I607 WeakPolarHBondContact O-CB 3.16Å; F603-I607 PolarHBondContact O-N 3.26Å; I607-G609 VanDerWaalsContact C-N 3.33Å; I607-G609 PolarHBondContact O-N 2.94Å; I607-V610 PolarHBondContact O-N 2.96Å; I607-A611 WeakPolarHBondContact O-CB 3.47Å; I607-A611 PolarHBondContact O-N 2.75Å; I607-L622 HydrophobicContact CD1-CD2 3.65Å; I607-L622 HydrophobicContact CG1-CD2 3.8Å; I607-L626 HydrophobicContact CG2-CD2 4.17Å; I607-A644 HydrophobicContact CG2-CB 3.89Å |
| 608 | A | 85 | Confident | 83.2 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N606 G612 I647 L648 | N606-A608 PolarHBondContact O-N 3.46Å; A608-G612 PolarHBondContact O-N 3.41Å; A608-I647 HydrophobicContact CB-CB 4.06Å; A608-I647 HydrophobicContact CB-CG2 3.64Å; A608-L648 HydrophobicContact CB-CD2 4.24Å; A608-L648 HydrophobicContact CB-CG 4.24Å |
| 609 | G | 83.4 | Confident | 82.4 | Confident | 29 Ų | 29 | 29.5 Ų | 29.5 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.6 | -46.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N606 I607 A611 G612 Y613 | N606-G609 PolarHBondContact O-N 3.39Å; I607-G609 VanDerWaalsContact C-N 3.33Å; I607-G609 PolarHBondContact O-N 2.94Å; G609-A611 PolarHBondContact O-N 3.22Å; G609-G612 PolarHBondContact O-N 3.13Å; G609-Y613 VanDerWaalsContact O-CD2 3.26Å; G609-Y613 WeakPolarHBondContact O-CD2 3.47Å |
| 610 | V | 83.3 | Confident | 81.7 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 177 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | I568 L585 N606 I607 G612 Y613 V614 | I568-V610 HydrophobicContact CG1-CG2 4.23Å; I568-V610 HydrophobicContact CG2-CG2 4.13Å; L585-V610 HydrophobicContact CD1-CG1 4.06Å; N606-V610 PolarHBondContact O-N 3.26Å; I607-V610 PolarHBondContact O-N 2.96Å; V610-G612 PolarHBondContact O-N 3.37Å; V610-Y613 PolarHBondContact O-N 2.92Å; V610-Y613 VanDerWaalsContact O-N 3.1Å; V610-V614 HydrophobicContact CG1-CG2 4.32Å; V610-V614 PolarHBondContact O-N 2.71Å |
| 611 | A | 81.3 | Confident | 81.1 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -32.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | I607 G609 Y613 V614 G615 L622 L648 | I607-A611 WeakPolarHBondContact O-CB 3.47Å; I607-A611 PolarHBondContact O-N 2.75Å; G609-A611 PolarHBondContact O-N 3.22Å; A611-Y613 VanDerWaalsContact C-N 3.26Å; A611-Y613 PolarHBondContact O-N 3.12Å; A611-V614 PolarHBondContact O-N 3.22Å; A611-G615 PolarHBondContact O-N 2.86Å; A611-L622 HydrophobicContact CB-CD1 3.54Å; A611-L648 HydrophobicContact CB-CD2 3.5Å; A611-L648 VanDerWaalsContact CB-CD2 3.5Å |
| 612 | G | 79.8 | Confident | 80.6 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 38% | 0.381 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.8 | -35 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | A608 G609 V610 | A608-G612 PolarHBondContact O-N 3.41Å; G609-G612 PolarHBondContact O-N 3.13Å; V610-G612 PolarHBondContact O-N 3.37Å |
| 613 | Y | 75.3 | Confident | 80.3 | Confident | 93 Ų | 93 | 38.4 Ų | 38.4 | 37% | 0.365 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -83.6 | -41.9 | 178.7 | -69.3 | -81.1 | 0 | 0 | 0 | 112.9 | C569 C572 A573 K577 G609 V610 A611 G615 | C569-Y613 HydrophobicContact CB-CE2 4.34Å; C572-Y613 HydrophobicContact CB-CD2 4.03Å; C572-Y613 HydrophobicContact CB-CG 4.17Å; A573-Y613 HydrophobicContact CB-CE1 3.82Å; K577-Y613 WeakPolarHBondContact CD-O 3.5Å; K577-Y613 WeakPolarHBondContact CE-O 3.39Å; K577-Y613 WeakPolarHBondContact CG-O 3.37Å; G609-Y613 VanDerWaalsContact O-CD2 3.26Å; G609-Y613 WeakPolarHBondContact O-CD2 3.47Å; V610-Y613 PolarHBondContact O-N 2.92Å; V610-Y613 VanDerWaalsContact O-N 3.1Å; A611-Y613 VanDerWaalsContact C-N 3.26Å; A611-Y613 PolarHBondContact O-N 3.12Å; Y613-G615 VanDerWaalsContact C-N 3.34Å |
| 614 | V | 71.1 | Confident | 80 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -31.2 | -179.5 | -172.7 | 0 | 0 | 0 | 0 | 111.4 | N581 V610 A611 A618 | N581-V614 HydrophobicContact CB-CG1 4.3Å; V610-V614 HydrophobicContact CG1-CG2 4.32Å; V610-V614 PolarHBondContact O-N 2.71Å; A611-V614 PolarHBondContact O-N 3.22Å; V614-A618 HydrophobicContact CB-CB 4.2Å; V614-A618 HydrophobicContact CG1-CB 3.78Å |
| 615 | G | 70.1 | Confident | 79.7 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 19% | 0.186 | 23% | 0.231 | C | C | . | . | trans | 85.9 | -178.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A611 Y613 Q617 A618 | A611-G615 PolarHBondContact O-N 2.86Å; Y613-G615 VanDerWaalsContact C-N 3.34Å; G615-Q617 PolarHBondContact O-N 3.33Å; G615-A618 WeakPolarHBondContact O-CB 3.46Å; G615-A618 PolarHBondContact O-N 3.4Å | ||
| 616 | W | 68.3 | Low | 79.5 | Confident | 163 Ų | 163 | 39.6 Ų | 39.6 | 62% | 0.617 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -59 | -21.6 | -172.1 | 66.7 | -93.8 | 0 | 0 | 0 | 114.8 | A618 S619 | W616-A618 PolarHBondContact O-N 2.8Å; W616-S619 WeakPolarHBondContact O-CB 3.29Å; W616-S619 PolarHBondContact O-N 2.89Å |
| 617 | Q | 69.9 | Low | 79.4 | Confident | 133 Ų | 133 | 40.5 Ų | 40.5 | 62% | 0.621 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -61.7 | -27 | 177.6 | -66.2 | 168.5 | -14.8 | 0 | 0 | 111.7 | G615 S619 | G615-Q617 PolarHBondContact O-N 3.33Å; Q617-S619 VanDerWaalsContact C-N 3.26Å; Q617-S619 PolarHBondContact O-N 3.38Å |
| 618 | A | 70.6 | Confident | 79.3 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -74.9 | -10.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V614 G615 W616 D620 I621 L622 | V614-A618 HydrophobicContact CB-CB 4.2Å; V614-A618 HydrophobicContact CG1-CB 3.78Å; G615-A618 WeakPolarHBondContact O-CB 3.46Å; G615-A618 PolarHBondContact O-N 3.4Å; W616-A618 PolarHBondContact O-N 2.8Å; A618-D620 PolarHBondContact O-N 3.39Å; A618-I621 PolarHBondContact O-N 3.46Å; A618-L622 HydrophobicContact CB-CD1 3.74Å; A618-L622 HydrophobicContact CB-CG 4.04Å; A618-L622 WeakPolarHBondContact O-CB 3.14Å; A618-L622 VanDerWaalsContact O-CG 3.25Å; A618-L622 WeakPolarHBondContact O-CG 3.18Å; A618-L622 PolarHBondContact O-N 2.85Å |
| 619 | S | 75.4 | Confident | 79.4 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55 | -39.3 | -177.3 | -179.4 | 0 | 0 | 0 | 0 | 112.5 | W616 Q617 I621 L622 V623 H653 | W616-S619 WeakPolarHBondContact O-CB 3.29Å; W616-S619 PolarHBondContact O-N 2.89Å; Q617-S619 VanDerWaalsContact C-N 3.26Å; Q617-S619 PolarHBondContact O-N 3.38Å; S619-I621 VanDerWaalsContact C-N 3.26Å; S619-I621 PolarHBondContact O-N 3.1Å; S619-L622 PolarHBondContact O-N 3.31Å; S619-V623 VanDerWaalsContact O-CG2 3.24Å; S619-V623 WeakPolarHBondContact O-CG2 3.43Å; S619-V623 PolarHBondContact O-N 3.35Å; S619-V623 VanDerWaalsContact O-N 3.13Å; S619-H653 WeakPolarHBondContact CB-O 3.22Å |
| 620 | D | 77.4 | Confident | 79.6 | Confident | 103 Ų | 103 | 41.8 Ų | 41.8 | 55% | 0.551 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -73.3 | -22.8 | -176.6 | -61 | -33.8 | 0 | 0 | 0 | 111.9 | A618 P624 K655 | A618-D620 PolarHBondContact O-N 3.39Å; D620-P624 WeakPolarHBondContact O-CD 3.17Å; D620-K655 IonicContact OD1-NZ 2.78Å; D620-K655 PolarHBondContact OD1-NZ 3.05Å; D620-K655 IonicContact OD2-NZ 3.7Å; D620-K655 PolarHBondContact OD2-NZ 3.41Å |
| 621 | I | 79.4 | Confident | 79.8 | Confident | 73 Ų | 73 | 43 Ų | 43 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -88.5 | -39.4 | 175.6 | -59.8 | 175.6 | 0 | 0 | 0 | 110.8 | L585 M589 A618 S619 L625 | L585-I621 HydrophobicContact CD2-CG2 4.34Å; M589-I621 HydrophobicContact CE-CG2 3.32Å; M589-I621 HydrophobicContact SD-CG2 4.18Å; A618-I621 PolarHBondContact O-N 3.46Å; S619-I621 VanDerWaalsContact C-N 3.26Å; S619-I621 PolarHBondContact O-N 3.1Å; I621-L625 HydrophobicContact CG2-CD1 4.24Å; I621-L625 WeakPolarHBondContact O-CD1 3.4Å; I621-L625 WeakPolarHBondContact O-CG 3.35Å |
| 622 | L | 80.8 | Confident | 80.1 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.2 | -38.2 | -173.6 | -69.8 | 173.7 | 0 | 0 | 0 | 113.2 | L585 I607 A611 A618 S619 L625 L626 | L585-L622 HydrophobicContact CD1-CD2 4.32Å; I607-L622 HydrophobicContact CD1-CD2 3.65Å; I607-L622 HydrophobicContact CG1-CD2 3.8Å; A611-L622 HydrophobicContact CB-CD1 3.54Å; A618-L622 HydrophobicContact CB-CD1 3.74Å; A618-L622 HydrophobicContact CB-CG 4.04Å; A618-L622 WeakPolarHBondContact O-CB 3.14Å; A618-L622 VanDerWaalsContact O-CG 3.25Å; A618-L622 WeakPolarHBondContact O-CG 3.18Å; A618-L622 PolarHBondContact O-N 2.85Å; S619-L622 PolarHBondContact O-N 3.31Å; L622-L625 HydrophobicContact CD2-CD1 4.46Å; L622-L625 WeakPolarHBondContact O-CB 3.47Å; L622-L625 PolarHBondContact O-N 3.07Å; L622-L625 VanDerWaalsContact O-N 3.09Å; L622-L626 HydrophobicContact CB-CD1 4.41Å; L622-L626 VanDerWaalsContact O-CG 3.28Å; L622-L626 WeakPolarHBondContact O-CG 3.31Å; L622-L626 PolarHBondContact O-N 3.49Å |
| 623 | V | 83.4 | Confident | 80.2 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.1 | -48.3 | -176 | 167.5 | 0 | 0 | 0 | 0 | 112.4 | S619 L625 L626 Q627 I654 A658 I662 | S619-V623 VanDerWaalsContact O-CG2 3.24Å; S619-V623 WeakPolarHBondContact O-CG2 3.43Å; S619-V623 PolarHBondContact O-N 3.35Å; S619-V623 VanDerWaalsContact O-N 3.13Å; V623-L625 VanDerWaalsContact C-N 3.3Å; V623-L625 PolarHBondContact O-N 3.25Å; V623-L626 PolarHBondContact O-N 3.29Å; V623-Q627 WeakPolarHBondContact O-CG 3.29Å; V623-Q627 PolarHBondContact O-N 2.92Å; V623-I654 HydrophobicContact CG2-CG2 4.22Å; V623-A658 HydrophobicContact CG2-CB 4.41Å; V623-I662 HydrophobicContact CG1-CD1 4.35Å |
| 624 | P | 85.8 | Confident | 80.9 | Confident | 71 Ų | 71 | 45.6 Ų | 45.6 | 46% | 0.461 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59 | -37.8 | 175 | -25.7 | 34.6 | 0 | 0 | 0 | 113.9 | D620 Q627 Q628 | D620-P624 WeakPolarHBondContact O-CD 3.17Å; P624-Q627 PolarHBondContact O-N 2.85Å; P624-Q628 PolarHBondContact O-N 2.77Å |
| 625 | L | 86.1 | Confident | 81.8 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.9 | -34.3 | 179.7 | -59.4 | 170 | 0 | 0 | 0 | 112.1 | M589 L592 F603 Y604 I621 L622 V623 | M589-L625 HydrophobicContact CB-CD2 4.45Å; M589-L625 HydrophobicContact CE-CD1 4.23Å; M589-L625 HydrophobicContact CG-CD1 3.59Å; M589-L625 HydrophobicContact CG-CD2 4.09Å; M589-L625 HydrophobicContact SD-CD1 3.92Å; M589-L625 HydrophobicContact SD-CD2 4.39Å; L592-L625 HydrophobicContact CD1-CB 3.88Å; L592-L625 HydrophobicContact CD1-CD2 3.93Å; L592-L625 HydrophobicContact CD1-CG 4.47Å; F603-L625 HydrophobicContact CZ-CB 4.39Å; Y604-L625 PolarHBondContact OH-O 2.87Å; I621-L625 HydrophobicContact CG2-CD1 4.24Å; I621-L625 WeakPolarHBondContact O-CD1 3.4Å; I621-L625 WeakPolarHBondContact O-CG 3.35Å; L622-L625 HydrophobicContact CD2-CD1 4.46Å; L622-L625 WeakPolarHBondContact O-CB 3.47Å; L622-L625 PolarHBondContact O-N 3.07Å; L622-L625 VanDerWaalsContact O-N 3.09Å; V623-L625 VanDerWaalsContact C-N 3.3Å; V623-L625 PolarHBondContact O-N 3.25Å |
| 626 | L | 86.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71 | -42.3 | 173.8 | -65.1 | 165 | 0 | 0 | 0 | 110.9 | Y604 I607 L622 V623 Q628 G629 A644 V645 L648 I654 | Y604-L626 HydrophobicContact CD1-CD2 4.13Å; Y604-L626 HydrophobicContact CE1-CD2 4.12Å; I607-L626 HydrophobicContact CG2-CD2 4.17Å; L622-L626 HydrophobicContact CB-CD1 4.41Å; L622-L626 VanDerWaalsContact O-CG 3.28Å; L622-L626 WeakPolarHBondContact O-CG 3.31Å; L622-L626 PolarHBondContact O-N 3.49Å; V623-L626 PolarHBondContact O-N 3.29Å; L626-Q628 VanDerWaalsContact C-N 3.29Å; L626-Q628 PolarHBondContact O-N 2.97Å; L626-G629 PolarHBondContact O-N 3.25Å; L626-A644 HydrophobicContact CD2-CB 4.13Å; L626-V645 HydrophobicContact CB-CG2 3.81Å; L626-V645 HydrophobicContact CD1-CG2 3.99Å; L626-V645 HydrophobicContact CD2-CG2 4.09Å; L626-V645 HydrophobicContact CG-CG2 4.16Å; L626-L648 HydrophobicContact CD1-CD1 3.43Å; L626-L648 VanDerWaalsContact CD1-CD1 3.43Å; L626-L648 HydrophobicContact CD2-CD1 4.17Å; L626-L648 HydrophobicContact CG-CD1 4.41Å; L626-I654 HydrophobicContact CD1-CD1 4.36Å |
| 627 | Q | 86.2 | Confident | 84 | Confident | 49 Ų | 49 | 40 Ų | 40 | 23% | 0.229 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -34.7 | 175.5 | -75.5 | 174.8 | -46.1 | 0 | 0 | 112.6 | V623 P624 G629 F630 E665 | V623-Q627 WeakPolarHBondContact O-CG 3.29Å; V623-Q627 PolarHBondContact O-N 2.92Å; P624-Q627 PolarHBondContact O-N 2.85Å; Q627-G629 PolarHBondContact O-N 3.01Å; Q627-F630 HydrophobicContact CB-CD2 4.37Å; Q627-F630 HydrophobicContact CG-CD2 4.29Å; Q627-F630 HydrophobicContact CG-CE2 4.09Å; Q627-F630 PolarHBondContact O-N 3.34Å; Q627-E665 PolarHBondContact NE2-OE1 3Å; Q627-E665 PolarHBondContact NE2-OE2 2.75Å |
| 628 | Q | 87.1 | Confident | 85 | Confident | 58 Ų | 58 | 33.7 Ų | 33.7 | 27% | 0.271 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.3 | -36.3 | 172.9 | -179.6 | 173.6 | -8.7 | 0 | 0 | 112.2 | N593 P624 L626 T631 K809 | N593-Q628 PolarHBondContact OD1-NE2 2.95Å; P624-Q628 PolarHBondContact O-N 2.77Å; L626-Q628 VanDerWaalsContact C-N 3.29Å; L626-Q628 PolarHBondContact O-N 2.97Å; Q628-T631 PolarHBondContact O-N 2.93Å; Q628-T631 PolarHBondContact O-OG1 3.07Å; Q628-T631 VanDerWaalsContact O-OG1 3.05Å; Q628-K809 PolarHBondContact O-NZ 3.17Å |
| 629 | G | 86.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.8 | -27.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y604 L626 Q627 T631 D632 | Y604-G629 WeakPolarHBondContact OH-CA 3.27Å; Y604-G629 PolarHBondContact OH-N 3.3Å; L626-G629 PolarHBondContact O-N 3.25Å; Q627-G629 PolarHBondContact O-N 3.01Å; G629-T631 PolarHBondContact O-N 2.97Å; G629-D632 WeakPolarHBondContact O-CB 3.45Å; G629-D632 PolarHBondContact O-N 3.28Å |
| 630 | F | 87.8 | Confident | 87 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -28.2 | 174.5 | -56.9 | -32 | 0 | 0 | 0 | 111.7 | Q627 A641 I642 V645 I662 T666 Y669 F802 | Q627-F630 HydrophobicContact CB-CD2 4.37Å; Q627-F630 HydrophobicContact CG-CD2 4.29Å; Q627-F630 HydrophobicContact CG-CE2 4.09Å; Q627-F630 PolarHBondContact O-N 3.34Å; F630-A641 HydrophobicContact CD1-CB 4.29Å; F630-A641 HydrophobicContact CE1-CB 4.39Å; F630-I642 HydrophobicContact CD1-CG1 3.91Å; F630-I642 HydrophobicContact CE1-CG1 3.8Å; F630-V645 HydrophobicContact CE1-CG2 4.01Å; F630-V645 HydrophobicContact CZ-CG2 3.63Å; F630-I662 HydrophobicContact CE2-CG2 3.84Å; F630-I662 HydrophobicContact CZ-CG2 3.86Å; F630-T666 HydrophobicContact CD1-CG2 4.27Å; F630-T666 HydrophobicContact CD2-CG2 3.58Å; F630-T666 HydrophobicContact CE1-CG2 4.22Å; F630-T666 HydrophobicContact CE2-CG2 3.53Å; F630-T666 HydrophobicContact CG-CG2 3.98Å; F630-T666 HydrophobicContact CZ-CG2 3.86Å; F630-Y669 HydrophobicContact CB-CE2 4.21Å; F630-Y669 PolarHBondContact O-OH 3.03Å; F630-F802 WeakPolarHBondContact O-CE2 3.4Å |
| 631 | T | 86.1 | Confident | 87.7 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 17% | 0.172 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 24.7 | -179.5 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | Q628 G629 S805 K809 | Q628-T631 PolarHBondContact O-N 2.93Å; Q628-T631 PolarHBondContact O-OG1 3.07Å; Q628-T631 VanDerWaalsContact O-OG1 3.05Å; G629-T631 PolarHBondContact O-N 2.97Å; T631-S805 WeakPolarHBondContact CG2-OG 3.26Å; T631-K809 WeakPolarHBondContact O-CD 3.45Å; T631-K809 PolarHBondContact O-NZ 2.99Å; T631-K809 PolarHBondContact OG1-NZ 2.93Å |
| 632 | D | 88.4 | Confident | 88.4 | Confident | 12 Ų | 12 | 28.1 Ų | 28.1 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | trans | -66.6 | 158.6 | 174.9 | -156.9 | -76.6 | 0 | 0 | 0 | 111.5 | R600 G629 E634 V637 I638 | R600-D632 IonicContact CZ-OD1 3.97Å; R600-D632 IonicContact CZ-OD2 2.98Å; R600-D632 IonicContact NE-OD1 2.85Å; R600-D632 IonicContact NE-OD2 2.71Å; R600-D632 PolarHBondContact NE-OD2 2.78Å; R600-D632 IonicContact NH2-OD1 3.68Å; R600-D632 PolarHBondContact NH2-OD1 3.02Å; R600-D632 IonicContact NH2-OD2 3.5Å; G629-D632 WeakPolarHBondContact O-CB 3.45Å; G629-D632 PolarHBondContact O-N 3.28Å; D632-E634 PolarHBondContact OD1-N 3.32Å; D632-V637 HydrophobicContact CB-CB 3.97Å; D632-V637 HydrophobicContact CB-CG1 3.91Å; D632-V637 WeakPolarHBondContact OD2-CG1 3.37Å; D632-I638 HydrophobicContact CB-CG1 4.05Å | ||
| 633 | R | 82.5 | Confident | 89.1 | Confident | 105 Ų | 105 | 34.4 Ų | 34.4 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -74.2 | -32.3 | 178 | -59.7 | 175.5 | -177.1 | 152.7 | 5 | 111.6 | K809 D813 | R633-K809 PolarHBondContact NH2-O 3.35Å; R633-D813 IonicContact CZ-OD1 3.45Å; R633-D813 IonicContact CZ-OD2 3.68Å; R633-D813 IonicContact NE-OD2 3.62Å; R633-D813 PolarHBondContact NE-OD2 3.31Å; R633-D813 IonicContact NH1-OD1 2.75Å; R633-D813 PolarHBondContact NH1-OD1 2.91Å; R633-D813 IonicContact NH1-OD2 3.74Å; R633-D813 PolarHBondContact NH1-OD2 3.38Å; R633-D813 IonicContact NH2-OD1 3.67Å; R633-D813 PolarHBondContact NH2-OD1 2.98Å; R633-D813 IonicContact NH2-OD2 3.01Å; R633-D813 PolarHBondContact NH2-OD2 3.2Å |
| 634 | E | 88.7 | Confident | 89.5 | Confident | 70 Ų | 70 | 33.7 Ų | 33.7 | 33% | 0.327 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -100.9 | 119.2 | -174.5 | -64.7 | -77 | 134.7 | 0 | 0 | 109.9 | K597 D632 F636 V637 I638 | K597-E634 HydrophobicContact CB-CG 3.89Å; K597-E634 HydrophobicContact CD-CG 4.02Å; K597-E634 WeakPolarHBondContact CD-OE2 3.48Å; K597-E634 IonicContact NZ-OE2 2.79Å; K597-E634 PolarHBondContact NZ-OE2 3.18Å; D632-E634 PolarHBondContact OD1-N 3.32Å; E634-F636 HydrophobicContact CB-CD1 3.75Å; E634-F636 HydrophobicContact CB-CE1 3.6Å; E634-F636 HydrophobicContact CG-CE1 4.07Å; E634-F636 PolarHBondContact O-N 3.11Å; E634-F636 VanDerWaalsContact O-N 3.08Å; E634-V637 HydrophobicContact CB-CB 4.49Å; E634-V637 HydrophobicContact CB-CG2 3.94Å; E634-V637 WeakPolarHBondContact O-CB 3.5Å; E634-V637 PolarHBondContact O-N 3.16Å; E634-I638 PolarHBondContact O-N 3.01Å |
| 635 | E | 89.9 | Confident | 89.7 | Confident | 32 Ų | 32 | 30.3 Ų | 30.3 | 15% | 0.15 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.9 | -27.6 | -175.4 | -60.5 | 177.5 | 149.6 | 0 | 0 | 113.6 | I638 A639 H672 N674 V677 R732 | E635-I638 WeakPolarHBondContact O-CB 3.23Å; E635-I638 PolarHBondContact O-N 3.05Å; E635-A639 PolarHBondContact O-N 3.36Å; E635-H672 IonicContact OE1-CE1 2.73Å; E635-H672 PolarHBondContact OE1-CE1 2.92Å; E635-H672 IonicContact OE1-NE2 2.7Å; E635-N674 HydrophobicContact CB-CB 4.45Å; E635-N674 WeakPolarHBondContact OE2-CB 3.28Å; E635-N674 PolarHBondContact OE2-ND2 3.17Å; E635-V677 HydrophobicContact CB-CG2 4.36Å; E635-V677 WeakPolarHBondContact O-CG2 3.3Å; E635-R732 IonicContact OE1-CZ 3.94Å; E635-R732 IonicContact OE1-NH1 2.68Å; E635-R732 PolarHBondContact OE1-NH1 3.37Å; E635-R732 IonicContact OE1-NH2 3.53Å; E635-R732 IonicContact OE2-CZ 3.99Å; E635-R732 IonicContact OE2-NH1 3.15Å; E635-R732 PolarHBondContact OE2-NH1 3.48Å; E635-R732 IonicContact OE2-NH2 3.99Å |
| 636 | F | 92.4 | Very high | 90 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 19% | 0.189 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.9 | -31 | 176.3 | 85 | -90 | 0 | 0 | 0 | 112.3 | K597 E634 A639 K640 | K597-F636 HydrophobicContact CB-CE1 3.8Å; K597-F636 HydrophobicContact CB-CZ 3.66Å; K597-F636 HydrophobicContact CD-CE1 3.82Å; K597-F636 HydrophobicContact CD-CZ 4.24Å; K597-F636 HydrophobicContact CG-CE1 3.82Å; K597-F636 HydrophobicContact CG-CZ 3.72Å; K597-F636 WeakPolarHBondContact O-CZ 3.43Å; E634-F636 HydrophobicContact CB-CD1 3.75Å; E634-F636 HydrophobicContact CB-CE1 3.6Å; E634-F636 HydrophobicContact CG-CE1 4.07Å; E634-F636 PolarHBondContact O-N 3.11Å; E634-F636 VanDerWaalsContact O-N 3.08Å; F636-A639 PolarHBondContact O-N 3.17Å; F636-K640 HydrophobicContact CD2-CD 4.32Å; F636-K640 WeakPolarHBondContact O-CG 3.33Å; F636-K640 PolarHBondContact O-N 3.47Å |
| 637 | V | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70 | -40.3 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | R600 Y604 D632 E634 A639 K640 A641 | R600-V637 HydrophobicContact CB-CG1 4.15Å; Y604-V637 HydrophobicContact CD2-CG1 3.75Å; Y604-V637 HydrophobicContact CE2-CG1 3.7Å; D632-V637 HydrophobicContact CB-CB 3.97Å; D632-V637 HydrophobicContact CB-CG1 3.91Å; D632-V637 WeakPolarHBondContact OD2-CG1 3.37Å; E634-V637 HydrophobicContact CB-CB 4.49Å; E634-V637 HydrophobicContact CB-CG2 3.94Å; E634-V637 WeakPolarHBondContact O-CB 3.5Å; E634-V637 PolarHBondContact O-N 3.16Å; V637-A639 VanDerWaalsContact C-N 3.33Å; V637-A639 PolarHBondContact O-N 3.46Å; V637-K640 PolarHBondContact O-N 2.79Å; V637-A641 WeakPolarHBondContact O-CB 3.36Å; V637-A641 PolarHBondContact O-N 2.99Å |
| 638 | I | 91.8 | Very high | 90.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.9 | -49.7 | 172.5 | -57 | 177.6 | 0 | 0 | 0 | 110.1 | D632 E634 E635 K640 A641 I642 Y669 V677 F802 | D632-I638 HydrophobicContact CB-CG1 4.05Å; E634-I638 PolarHBondContact O-N 3.01Å; E635-I638 WeakPolarHBondContact O-CB 3.23Å; E635-I638 PolarHBondContact O-N 3.05Å; I638-K640 PolarHBondContact O-N 3.37Å; I638-A641 PolarHBondContact O-N 2.84Å; I638-I642 HydrophobicContact CG2-CD1 3.78Å; I638-I642 WeakPolarHBondContact O-CD1 3.15Å; I638-I642 VanDerWaalsContact O-CG1 3.32Å; I638-I642 WeakPolarHBondContact O-CG1 3.38Å; I638-I642 PolarHBondContact O-N 3.45Å; I638-Y669 HydrophobicContact CG2-CE1 4.24Å; I638-V677 HydrophobicContact CG2-CG1 4.26Å; I638-V677 HydrophobicContact CG2-CG2 4.42Å; I638-F802 HydrophobicContact CD1-CE2 4.14Å; I638-F802 HydrophobicContact CD1-CZ 4.13Å |
| 639 | A | 93.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 28 Ų | 28 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E635 F636 V637 A641 I642 R643 W676 V677 E680 | E635-A639 PolarHBondContact O-N 3.36Å; F636-A639 PolarHBondContact O-N 3.17Å; V637-A639 VanDerWaalsContact C-N 3.33Å; V637-A639 PolarHBondContact O-N 3.46Å; A639-A641 PolarHBondContact O-N 3.45Å; A639-I642 PolarHBondContact O-N 3.36Å; A639-R643 WeakPolarHBondContact O-CB 3.25Å; A639-R643 PolarHBondContact O-N 3.02Å; A639-W676 HydrophobicContact CB-CB 4.41Å; A639-V677 HydrophobicContact CB-CG2 4.22Å; A639-E680 HydrophobicContact CB-CG 4.17Å |
| 640 | K | 93.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 32.6 Ų | 32.6 | 25% | 0.248 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 175.6 | -72.3 | -175.7 | 173.2 | -163.2 | 0 | 112.7 | G601 D605 F636 V637 I638 R643 A644 | G601-K640 WeakPolarHBondContact O-CD 3.09Å; D605-K640 WeakPolarHBondContact OD1-CD 3.28Å; D605-K640 IonicContact OD1-NZ 3.54Å; D605-K640 VanDerWaalsContact OD2-CE 3.25Å; D605-K640 WeakPolarHBondContact OD2-CE 3.37Å; D605-K640 IonicContact OD2-NZ 3.13Å; D605-K640 PolarHBondContact OD2-NZ 2.85Å; F636-K640 HydrophobicContact CD2-CD 4.32Å; F636-K640 WeakPolarHBondContact O-CG 3.33Å; F636-K640 PolarHBondContact O-N 3.47Å; V637-K640 PolarHBondContact O-N 2.79Å; I638-K640 PolarHBondContact O-N 3.37Å; K640-R643 WeakPolarHBondContact O-CB 3.32Å; K640-R643 PolarHBondContact O-N 2.97Å; K640-A644 WeakPolarHBondContact O-CB 3.5Å; K640-A644 PolarHBondContact O-N 2.93Å |
| 641 | A | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y604 F630 V637 I638 A639 R643 A644 V645 | Y604-A641 HydrophobicContact CD1-CB 3.76Å; Y604-A641 HydrophobicContact CD2-CB 4.04Å; Y604-A641 HydrophobicContact CE1-CB 3.8Å; Y604-A641 HydrophobicContact CE2-CB 4.06Å; Y604-A641 HydrophobicContact CG-CB 3.91Å; F630-A641 HydrophobicContact CD1-CB 4.29Å; F630-A641 HydrophobicContact CE1-CB 4.39Å; V637-A641 WeakPolarHBondContact O-CB 3.36Å; V637-A641 PolarHBondContact O-N 2.99Å; I638-A641 PolarHBondContact O-N 2.84Å; A639-A641 PolarHBondContact O-N 3.45Å; A641-R643 VanDerWaalsContact C-N 3.33Å; A641-R643 PolarHBondContact O-N 3.36Å; A641-A644 WeakPolarHBondContact O-CB 3.45Å; A641-A644 PolarHBondContact O-N 2.77Å; A641-V645 VanDerWaalsContact O-CG2 3.31Å; A641-V645 WeakPolarHBondContact O-CG2 3.48Å; A641-V645 PolarHBondContact O-N 3.47Å |
| 642 | I | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.4 | -64.2 | 153.8 | 0 | 0 | 0 | 110.9 | F630 I638 A639 A644 V645 T646 V677 E680 I681 M684 | F630-I642 HydrophobicContact CD1-CG1 3.91Å; F630-I642 HydrophobicContact CE1-CG1 3.8Å; I638-I642 HydrophobicContact CG2-CD1 3.78Å; I638-I642 WeakPolarHBondContact O-CD1 3.15Å; I638-I642 VanDerWaalsContact O-CG1 3.32Å; I638-I642 WeakPolarHBondContact O-CG1 3.38Å; I638-I642 PolarHBondContact O-N 3.45Å; A639-I642 PolarHBondContact O-N 3.36Å; I642-A644 VanDerWaalsContact C-N 3.35Å; I642-A644 PolarHBondContact O-N 3.03Å; I642-V645 PolarHBondContact O-N 2.94Å; I642-T646 PolarHBondContact O-N 2.87Å; I642-T646 PolarHBondContact O-OG1 3.4Å; I642-V677 HydrophobicContact CD1-CG1 4.01Å; I642-E680 HydrophobicContact CB-CB 4.07Å; I642-E680 VanDerWaalsContact CG2-C 3.49Å; I642-E680 HydrophobicContact CG2-CB 3.74Å; I642-E680 WeakPolarHBondContact CG2-O 3.31Å; I642-I681 HydrophobicContact CB-CD1 4.3Å; I642-I681 HydrophobicContact CD1-CD1 3.46Å; I642-I681 VanDerWaalsContact CD1-CD1 3.46Å; I642-I681 HydrophobicContact CD1-CG1 3.6Å; I642-I681 HydrophobicContact CG1-CD1 3.63Å; I642-I681 HydrophobicContact CG1-CG1 4.26Å; I642-I681 HydrophobicContact CG2-CD1 3.65Å; I642-I681 HydrophobicContact CG2-CG1 4.04Å; I642-M684 HydrophobicContact CG2-CB 4.02Å; I642-M684 HydrophobicContact CG2-CE 4.32Å; I642-M684 HydrophobicContact CG2-SD 3.99Å |
| 643 | R | 94.3 | Very high | 90 | Very high | 139 Ų | 139 | 39.5 Ų | 39.5 | 53% | 0.525 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.4 | -170.1 | 174.2 | 177.7 | -168.3 | -0.7 | 111.7 | A639 K640 A641 V645 T646 I647 E680 | A639-R643 WeakPolarHBondContact O-CB 3.25Å; A639-R643 PolarHBondContact O-N 3.02Å; K640-R643 WeakPolarHBondContact O-CB 3.32Å; K640-R643 PolarHBondContact O-N 2.97Å; A641-R643 VanDerWaalsContact C-N 3.33Å; A641-R643 PolarHBondContact O-N 3.36Å; R643-V645 VanDerWaalsContact C-N 3.35Å; R643-V645 PolarHBondContact O-N 3.35Å; R643-T646 WeakPolarHBondContact O-CB 3.36Å; R643-T646 PolarHBondContact O-N 2.8Å; R643-T646 VanDerWaalsContact O-N 3.16Å; R643-I647 HydrophobicContact CG-CD1 4.31Å; R643-I647 WeakPolarHBondContact O-CG1 3.48Å; R643-I647 PolarHBondContact O-N 2.95Å; R643-E680 WeakPolarHBondContact CB-OE2 3.33Å; R643-E680 WeakPolarHBondContact CG-OE2 3.42Å |
| 644 | A | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y604 I607 L626 K640 A641 I642 T646 I647 L648 | Y604-A644 HydrophobicContact CD1-CB 4.31Å; Y604-A644 VanDerWaalsContact O-CB 3.22Å; Y604-A644 WeakPolarHBondContact O-CB 3.43Å; I607-A644 HydrophobicContact CG2-CB 3.89Å; L626-A644 HydrophobicContact CD2-CB 4.13Å; K640-A644 WeakPolarHBondContact O-CB 3.5Å; K640-A644 PolarHBondContact O-N 2.93Å; A641-A644 WeakPolarHBondContact O-CB 3.45Å; A641-A644 PolarHBondContact O-N 2.77Å; I642-A644 VanDerWaalsContact C-N 3.35Å; I642-A644 PolarHBondContact O-N 3.03Å; A644-T646 VanDerWaalsContact C-N 3.33Å; A644-T646 PolarHBondContact O-N 2.82Å; A644-I647 PolarHBondContact O-N 2.85Å; A644-L648 VanDerWaalsContact O-CG 3.31Å; A644-L648 WeakPolarHBondContact O-CG 3.5Å; A644-L648 PolarHBondContact O-N 2.82Å |
| 645 | V | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.4 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | L626 F630 A641 I642 R643 I647 L648 I649 I654 I662 M684 | L626-V645 HydrophobicContact CB-CG2 3.81Å; L626-V645 HydrophobicContact CD1-CG2 3.99Å; L626-V645 HydrophobicContact CD2-CG2 4.09Å; L626-V645 HydrophobicContact CG-CG2 4.16Å; F630-V645 HydrophobicContact CE1-CG2 4.01Å; F630-V645 HydrophobicContact CZ-CG2 3.63Å; A641-V645 VanDerWaalsContact O-CG2 3.31Å; A641-V645 WeakPolarHBondContact O-CG2 3.48Å; A641-V645 PolarHBondContact O-N 3.47Å; I642-V645 PolarHBondContact O-N 2.94Å; R643-V645 VanDerWaalsContact C-N 3.35Å; R643-V645 PolarHBondContact O-N 3.35Å; V645-I647 VanDerWaalsContact C-N 3.35Å; V645-I647 PolarHBondContact O-N 3.22Å; V645-L648 PolarHBondContact O-N 3.36Å; V645-I649 HydrophobicContact CG1-CD1 3.68Å; V645-I649 HydrophobicContact CG1-CG1 4.25Å; V645-I649 VanDerWaalsContact O-CG1 3.26Å; V645-I649 WeakPolarHBondContact O-CG1 3.47Å; V645-I649 PolarHBondContact O-N 2.87Å; V645-I654 HydrophobicContact CG1-CD1 4.2Å; V645-I662 HydrophobicContact CG1-CD1 4.4Å; V645-I662 HydrophobicContact CG1-CG2 4.15Å; V645-M684 HydrophobicContact CB-SD 4.01Å; V645-M684 HydrophobicContact CG1-CG 4.43Å; V645-M684 HydrophobicContact CG1-SD 3.6Å; V645-M684 VanDerWaalsContact CG1-SD 3.6Å |
| 646 | T | 92.4 | Very high | 89.6 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.086 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.8 | -49.2 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | I642 R643 A644 L648 I649 E650 M684 T687 | I642-T646 PolarHBondContact O-N 2.87Å; I642-T646 PolarHBondContact O-OG1 3.4Å; R643-T646 WeakPolarHBondContact O-CB 3.36Å; R643-T646 PolarHBondContact O-N 2.8Å; R643-T646 VanDerWaalsContact O-N 3.16Å; A644-T646 VanDerWaalsContact C-N 3.33Å; A644-T646 PolarHBondContact O-N 2.82Å; T646-L648 VanDerWaalsContact C-N 3.35Å; T646-L648 PolarHBondContact O-N 2.67Å; T646-I649 PolarHBondContact O-N 3.26Å; T646-E650 WeakPolarHBondContact O-CG 3.35Å; T646-E650 PolarHBondContact O-N 3.26Å; T646-M684 VanDerWaalsContact OG1-CA 3.3Å; T646-M684 WeakPolarHBondContact OG1-CA 3.11Å; T646-M684 WeakPolarHBondContact OG1-CB 3.41Å; T646-T687 HydrophobicContact CG2-CG2 4.01Å |
| 647 | I | 90.7 | Very high | 89.3 | Confident | 58 Ų | 58 | 43.2 Ų | 43.2 | 30% | 0.297 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 178.4 | -62.7 | 165.8 | 0 | 0 | 0 | 110.8 | A608 R643 A644 V645 I649 E650 L651 | A608-I647 HydrophobicContact CB-CB 4.06Å; A608-I647 HydrophobicContact CB-CG2 3.64Å; R643-I647 HydrophobicContact CG-CD1 4.31Å; R643-I647 WeakPolarHBondContact O-CG1 3.48Å; R643-I647 PolarHBondContact O-N 2.95Å; A644-I647 PolarHBondContact O-N 2.85Å; V645-I647 VanDerWaalsContact C-N 3.35Å; V645-I647 PolarHBondContact O-N 3.22Å; I647-I649 VanDerWaalsContact C-N 3.31Å; I647-I649 PolarHBondContact O-N 3.36Å; I647-E650 WeakPolarHBondContact O-CB 3.44Å; I647-E650 PolarHBondContact O-N 2.91Å; I647-L651 HydrophobicContact CG2-CD1 3.96Å; I647-L651 HydrophobicContact CG2-CG 4.39Å; I647-L651 WeakPolarHBondContact O-CG 3.37Å; I647-L651 PolarHBondContact O-N 3.44Å |
| 648 | L | 88.9 | Confident | 89 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65 | -33.2 | 177.6 | -72.1 | 170.6 | 0 | 0 | 0 | 113.2 | A608 A611 L626 A644 V645 T646 G652 H653 I654 | A608-L648 HydrophobicContact CB-CD2 4.24Å; A608-L648 HydrophobicContact CB-CG 4.24Å; A611-L648 HydrophobicContact CB-CD2 3.5Å; A611-L648 VanDerWaalsContact CB-CD2 3.5Å; L626-L648 HydrophobicContact CD1-CD1 3.43Å; L626-L648 VanDerWaalsContact CD1-CD1 3.43Å; L626-L648 HydrophobicContact CD2-CD1 4.17Å; L626-L648 HydrophobicContact CG-CD1 4.41Å; A644-L648 VanDerWaalsContact O-CG 3.31Å; A644-L648 WeakPolarHBondContact O-CG 3.5Å; A644-L648 PolarHBondContact O-N 2.82Å; V645-L648 PolarHBondContact O-N 3.36Å; T646-L648 VanDerWaalsContact C-N 3.35Å; T646-L648 PolarHBondContact O-N 2.67Å; L648-G652 PolarHBondContact O-N 3Å; L648-H653 HydrophobicContact CD2-CB 4.06Å; L648-H653 PolarHBondContact O-N 3.1Å; L648-I654 HydrophobicContact CB-CD1 3.63Å; L648-I654 HydrophobicContact CB-CG1 3.95Å; L648-I654 HydrophobicContact CD1-CD1 4.3Å |
| 649 | I | 89.1 | Confident | 88.9 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.2 | -42.1 | 172.2 | -67.1 | 165 | 0 | 0 | 0 | 110.3 | V645 T646 I647 L651 G652 I654 V659 M684 T687 N691 | V645-I649 HydrophobicContact CG1-CD1 3.68Å; V645-I649 HydrophobicContact CG1-CG1 4.25Å; V645-I649 VanDerWaalsContact O-CG1 3.26Å; V645-I649 WeakPolarHBondContact O-CG1 3.47Å; V645-I649 PolarHBondContact O-N 2.87Å; T646-I649 PolarHBondContact O-N 3.26Å; I647-I649 VanDerWaalsContact C-N 3.31Å; I647-I649 PolarHBondContact O-N 3.36Å; I649-L651 VanDerWaalsContact C-N 3.34Å; I649-L651 PolarHBondContact O-N 3.25Å; I649-G652 PolarHBondContact O-N 2.97Å; I649-I654 HydrophobicContact CG1-CD1 4.2Å; I649-V659 HydrophobicContact CD1-CG1 3.77Å; I649-V659 HydrophobicContact CD1-CG2 4.47Å; I649-V659 HydrophobicContact CG1-CG1 4.08Å; I649-V659 HydrophobicContact CG1-CG2 3.97Å; I649-V659 HydrophobicContact CG2-CG1 4.39Å; I649-M684 HydrophobicContact CD1-CG 4.07Å; I649-T687 HydrophobicContact CB-CG2 4.34Å; I649-T687 HydrophobicContact CG2-CG2 3.97Å; I649-N691 HydrophobicContact CG2-CB 4.49Å; I649-N691 PolarHBondContact O-ND2 3.24Å |
| 650 | E | 88.9 | Confident | 88.6 | Confident | 98 Ų | 98 | 44.8 Ų | 44.8 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.9 | -42 | 176.4 | -70.8 | -176.4 | 161.5 | 0 | 0 | 112.2 | T646 I647 G652 T687 R690 | T646-E650 WeakPolarHBondContact O-CG 3.35Å; T646-E650 PolarHBondContact O-N 3.26Å; I647-E650 WeakPolarHBondContact O-CB 3.44Å; I647-E650 PolarHBondContact O-N 2.91Å; E650-G652 PolarHBondContact O-N 3.48Å; E650-T687 HydrophobicContact CG-CG2 3.31Å; E650-T687 PolarHBondContact OE1-OG1 2.75Å; E650-R690 IonicContact OE1-NH2 3.4Å; E650-R690 PolarHBondContact OE1-NH2 3.49Å |
| 651 | L | 85.9 | Confident | 88.4 | Confident | 98 Ų | 98 | 47 Ų | 47 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -8.3 | 178 | -63.6 | 174.5 | 0 | 0 | 0 | 113.5 | I647 I649 H653 | I647-L651 HydrophobicContact CG2-CD1 3.96Å; I647-L651 HydrophobicContact CG2-CG 4.39Å; I647-L651 WeakPolarHBondContact O-CG 3.37Å; I647-L651 PolarHBondContact O-N 3.44Å; I649-L651 VanDerWaalsContact C-N 3.34Å; I649-L651 PolarHBondContact O-N 3.25Å; L651-H653 VanDerWaalsContact C-N 3.33Å; L651-H653 WeakPolarHBondContact CB-CD2 3.38Å; L651-H653 PolarHBondContact O-N 3.39Å |
| 652 | G | 83.9 | Confident | 88.2 | Confident | 54 Ų | 54 | 47 Ų | 47 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 22.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L648 I649 E650 I654 | L648-G652 PolarHBondContact O-N 3Å; I649-G652 PolarHBondContact O-N 2.97Å; E650-G652 PolarHBondContact O-N 3.48Å; G652-I654 VanDerWaalsContact C-N 3.35Å |
| 653 | H | 81.5 | Confident | 88 | Confident | 40 Ų | 40 | 47 Ų | 47 | 19% | 0.185 | 24% | 0.244 | C | C | . | . | trans | -83.1 | -8.2 | -179.3 | -69 | -50.7 | 0 | 0 | 0 | 114.1 | S619 L648 L651 | S619-H653 WeakPolarHBondContact CB-O 3.22Å; L648-H653 HydrophobicContact CD2-CB 4.06Å; L648-H653 PolarHBondContact O-N 3.1Å; L651-H653 VanDerWaalsContact C-N 3.33Å; L651-H653 WeakPolarHBondContact CB-CD2 3.38Å; L651-H653 PolarHBondContact O-N 3.39Å | ||
| 654 | I | 83.6 | Confident | 87.8 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -109.2 | 132.5 | 177.5 | -59.1 | 174.4 | 0 | 0 | 0 | 109.9 | V623 L626 V645 L648 I649 G652 A658 V659 | V623-I654 HydrophobicContact CG2-CG2 4.22Å; L626-I654 HydrophobicContact CD1-CD1 4.36Å; V645-I654 HydrophobicContact CG1-CD1 4.2Å; L648-I654 HydrophobicContact CB-CD1 3.63Å; L648-I654 HydrophobicContact CB-CG1 3.95Å; L648-I654 HydrophobicContact CD1-CD1 4.3Å; I649-I654 HydrophobicContact CG1-CD1 4.2Å; G652-I654 VanDerWaalsContact C-N 3.35Å; I654-A658 HydrophobicContact CG2-CB 3.91Å; I654-V659 HydrophobicContact CB-CG2 3.91Å; I654-V659 HydrophobicContact CG2-CG2 3.54Å |
| 655 | K | 84.2 | Confident | 87.5 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 39% | 0.387 | 27% | 0.265 | S | S | . | . | trans | -62.9 | 137.3 | 177 | -62.3 | 173.2 | -173.7 | 159.6 | 0 | 110.6 | D620 P657 A658 V659 | D620-K655 IonicContact OD1-NZ 2.78Å; D620-K655 PolarHBondContact OD1-NZ 3.05Å; D620-K655 IonicContact OD2-NZ 3.7Å; D620-K655 PolarHBondContact OD2-NZ 3.41Å; K655-P657 VanDerWaalsContact C-CD 3.4Å; K655-P657 VanDerWaalsContact O-N 3.15Å; K655-A658 WeakPolarHBondContact O-CB 3.42Å; K655-A658 PolarHBondContact O-N 3.34Å; K655-V659 PolarHBondContact O-N 3.48Å; K655-V659 VanDerWaalsContact O-N 3.15Å | ||
| 656 | K | 84.6 | Confident | 87.5 | Confident | 131 Ų | 131 | 50.4 Ų | 50.4 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -48.4 | -41.8 | -178 | -66.6 | -175.2 | 177 | -176.3 | 0 | 115.4 | V659 T660 L692 | K656-V659 PolarHBondContact O-N 3.16Å; K656-T660 PolarHBondContact O-N 2.93Å; K656-L692 HydrophobicContact CB-CD2 4.43Å; K656-L692 HydrophobicContact CD-CD2 4.2Å; K656-L692 HydrophobicContact CG-CD2 4.22Å |
| 657 | P | 85.7 | Confident | 87.3 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 177.6 | -23.2 | 35 | 0 | 0 | 0 | 113 | K655 V659 T660 E661 | K655-P657 VanDerWaalsContact C-CD 3.4Å; K655-P657 VanDerWaalsContact O-N 3.15Å; P657-V659 VanDerWaalsContact C-N 3.33Å; P657-V659 PolarHBondContact O-N 3.19Å; P657-T660 PolarHBondContact O-N 2.96Å; P657-T660 PolarHBondContact O-OG1 3.16Å; P657-E661 PolarHBondContact O-N 3.04Å; P657-E661 VanDerWaalsContact O-N 3.09Å |
| 658 | A | 86.8 | Confident | 87.2 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V623 I654 K655 T660 E661 I662 | V623-A658 HydrophobicContact CG2-CB 4.41Å; I654-A658 HydrophobicContact CG2-CB 3.91Å; K655-A658 WeakPolarHBondContact O-CB 3.42Å; K655-A658 PolarHBondContact O-N 3.34Å; A658-T660 VanDerWaalsContact C-N 3.31Å; A658-T660 PolarHBondContact O-N 3.09Å; A658-E661 PolarHBondContact O-N 3.04Å; A658-I662 WeakPolarHBondContact O-CD1 3.46Å; A658-I662 VanDerWaalsContact O-CG1 3.24Å; A658-I662 WeakPolarHBondContact O-CG1 3.5Å; A658-I662 PolarHBondContact O-N 3.1Å |
| 659 | V | 88.1 | Confident | 87.3 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 174.2 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | I649 I654 K655 K656 P657 I662 V663 T688 | I649-V659 HydrophobicContact CD1-CG1 3.77Å; I649-V659 HydrophobicContact CD1-CG2 4.47Å; I649-V659 HydrophobicContact CG1-CG1 4.08Å; I649-V659 HydrophobicContact CG1-CG2 3.97Å; I649-V659 HydrophobicContact CG2-CG1 4.39Å; I654-V659 HydrophobicContact CB-CG2 3.91Å; I654-V659 HydrophobicContact CG2-CG2 3.54Å; K655-V659 PolarHBondContact O-N 3.48Å; K655-V659 VanDerWaalsContact O-N 3.15Å; K656-V659 PolarHBondContact O-N 3.16Å; P657-V659 VanDerWaalsContact C-N 3.33Å; P657-V659 PolarHBondContact O-N 3.19Å; V659-I662 PolarHBondContact O-N 3.39Å; V659-V663 WeakPolarHBondContact O-CG2 3.34Å; V659-V663 PolarHBondContact O-N 3.14Å; V659-V663 VanDerWaalsContact O-N 3.08Å; V659-T688 HydrophobicContact CG1-CG2 3.44Å; V659-T688 VanDerWaalsContact CG1-CG2 3.44Å |
| 660 | T | 88.3 | Confident | 87.4 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.1 | -33.4 | -179.6 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | K656 P657 A658 Q664 L692 K700 | K656-T660 PolarHBondContact O-N 2.93Å; P657-T660 PolarHBondContact O-N 2.96Å; P657-T660 PolarHBondContact O-OG1 3.16Å; A658-T660 VanDerWaalsContact C-N 3.31Å; A658-T660 PolarHBondContact O-N 3.09Å; T660-Q664 WeakPolarHBondContact O-CG 3.4Å; T660-Q664 PolarHBondContact O-N 3.21Å; T660-L692 HydrophobicContact CG2-CD1 3.91Å; T660-K700 HydrophobicContact CG2-CB 4.18Å; T660-K700 HydrophobicContact CG2-CD 3.75Å |
| 661 | E | 88.6 | Confident | 87.5 | Confident | 102 Ų | 102 | 42.9 Ų | 42.9 | 48% | 0.477 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -47.8 | 172.9 | -176.2 | 174.6 | -165.4 | 0 | 0 | 111.1 | P657 A658 V663 Q664 E665 | P657-E661 PolarHBondContact O-N 3.04Å; P657-E661 VanDerWaalsContact O-N 3.09Å; A658-E661 PolarHBondContact O-N 3.04Å; E661-V663 VanDerWaalsContact C-N 3.31Å; E661-V663 PolarHBondContact O-N 3.4Å; E661-Q664 WeakPolarHBondContact O-CB 3.47Å; E661-Q664 PolarHBondContact O-N 2.79Å; E661-E665 WeakPolarHBondContact O-CG 3.32Å; E661-E665 PolarHBondContact O-N 3.17Å |
| 662 | I | 89.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | 177.4 | -68.4 | 163.9 | 0 | 0 | 0 | 111.1 | V623 F630 V645 A658 V659 Q664 E665 T666 M684 | V623-I662 HydrophobicContact CG1-CD1 4.35Å; F630-I662 HydrophobicContact CE2-CG2 3.84Å; F630-I662 HydrophobicContact CZ-CG2 3.86Å; V645-I662 HydrophobicContact CG1-CD1 4.4Å; V645-I662 HydrophobicContact CG1-CG2 4.15Å; A658-I662 WeakPolarHBondContact O-CD1 3.46Å; A658-I662 VanDerWaalsContact O-CG1 3.24Å; A658-I662 WeakPolarHBondContact O-CG1 3.5Å; A658-I662 PolarHBondContact O-N 3.1Å; V659-I662 PolarHBondContact O-N 3.39Å; I662-Q664 VanDerWaalsContact C-N 3.33Å; I662-Q664 PolarHBondContact O-N 3.09Å; I662-E665 PolarHBondContact O-N 3.42Å; I662-T666 HydrophobicContact CG2-CG2 4.12Å; I662-T666 WeakPolarHBondContact O-CB 3.45Å; I662-T666 VanDerWaalsContact O-CG2 3.29Å; I662-T666 WeakPolarHBondContact O-CG2 3.43Å; I662-T666 PolarHBondContact O-N 3.42Å; I662-T666 PolarHBondContact O-OG1 3.03Å; I662-M684 HydrophobicContact CG2-CE 4.3Å; I662-M684 HydrophobicContact CG2-SD 4.26Å |
| 663 | V | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 177.2 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | V659 E661 T666 A667 I685 T688 I701 | V659-V663 WeakPolarHBondContact O-CG2 3.34Å; V659-V663 PolarHBondContact O-N 3.14Å; V659-V663 VanDerWaalsContact O-N 3.08Å; E661-V663 VanDerWaalsContact C-N 3.31Å; E661-V663 PolarHBondContact O-N 3.4Å; V663-T666 PolarHBondContact O-N 3.03Å; V663-A667 VanDerWaalsContact O-CB 3.3Å; V663-A667 WeakPolarHBondContact O-CB 3.23Å; V663-A667 PolarHBondContact O-N 2.83Å; V663-I685 HydrophobicContact CG1-CG1 4.23Å; V663-T688 HydrophobicContact CG2-CG2 4.07Å; V663-I701 HydrophobicContact CB-CD1 4.1Å; V663-I701 HydrophobicContact CG1-CD1 3.82Å; V663-I701 HydrophobicContact CG2-CD1 4.12Å |
| 664 | Q | 88.5 | Confident | 88.6 | Confident | 117 Ų | 117 | 36.5 Ų | 36.5 | 55% | 0.547 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 177.6 | -73.8 | 174.6 | -1.9 | 0 | 0 | 112.1 | T660 E661 I662 A704 | T660-Q664 WeakPolarHBondContact O-CG 3.4Å; T660-Q664 PolarHBondContact O-N 3.21Å; E661-Q664 WeakPolarHBondContact O-CB 3.47Å; E661-Q664 PolarHBondContact O-N 2.79Å; I662-Q664 VanDerWaalsContact C-N 3.33Å; I662-Q664 PolarHBondContact O-N 3.09Å; Q664-A704 HydrophobicContact CG-CB 3.99Å |
| 665 | E | 86.6 | Confident | 89 | Confident | 93 Ų | 93 | 40.7 Ų | 40.7 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69 | -39.2 | 178 | -68.2 | -179.7 | 162.7 | 0 | 0 | 112.5 | Q627 E661 I662 C668 | Q627-E665 PolarHBondContact NE2-OE1 3Å; Q627-E665 PolarHBondContact NE2-OE2 2.75Å; E661-E665 WeakPolarHBondContact O-CG 3.32Å; E661-E665 PolarHBondContact O-N 3.17Å; I662-E665 PolarHBondContact O-N 3.42Å; E665-C668 PolarHBondContact O-SG 3.37Å; E665-C668 VanDerWaalsContact O-SG 3.4Å |
| 666 | T | 90.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -93.9 | -10.7 | -171.4 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | F630 I662 V663 C668 Y669 M684 | F630-T666 HydrophobicContact CD1-CG2 4.27Å; F630-T666 HydrophobicContact CD2-CG2 3.58Å; F630-T666 HydrophobicContact CE1-CG2 4.22Å; F630-T666 HydrophobicContact CE2-CG2 3.53Å; F630-T666 HydrophobicContact CG-CG2 3.98Å; F630-T666 HydrophobicContact CZ-CG2 3.86Å; I662-T666 HydrophobicContact CG2-CG2 4.12Å; I662-T666 WeakPolarHBondContact O-CB 3.45Å; I662-T666 VanDerWaalsContact O-CG2 3.29Å; I662-T666 WeakPolarHBondContact O-CG2 3.43Å; I662-T666 PolarHBondContact O-N 3.42Å; I662-T666 PolarHBondContact O-OG1 3.03Å; V663-T666 PolarHBondContact O-N 3.03Å; T666-C668 PolarHBondContact O-N 2.77Å; T666-Y669 HydrophobicContact CG2-CD2 4.28Å; T666-Y669 HydrophobicContact CG2-CE2 4.13Å; T666-Y669 WeakPolarHBondContact O-CB 3.4Å; T666-Y669 WeakPolarHBondContact O-CD2 3.26Å; T666-Y669 PolarHBondContact O-N 2.87Å; T666-M684 HydrophobicContact CG2-CE 4.3Å; T666-M684 WeakPolarHBondContact OG1-CE 3.38Å |
| 667 | A | 89.1 | Confident | 89.7 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -55.9 | -28 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V663 Y669 L670 F708 | V663-A667 VanDerWaalsContact O-CB 3.3Å; V663-A667 WeakPolarHBondContact O-CB 3.23Å; V663-A667 PolarHBondContact O-N 2.83Å; A667-Y669 PolarHBondContact O-N 3.19Å; A667-L670 VanDerWaalsContact O-CB 3.3Å; A667-L670 WeakPolarHBondContact O-CB 3.26Å; A667-L670 VanDerWaalsContact O-CG 3.28Å; A667-L670 WeakPolarHBondContact O-CG 3.42Å; A667-L670 PolarHBondContact O-N 3.03Å; A667-L670 VanDerWaalsContact O-N 3.12Å; A667-F708 HydrophobicContact CB-CD2 4.38Å; A667-F708 HydrophobicContact CB-CE2 3.89Å |
| 668 | C | 89.4 | Confident | 90.1 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 8% | 0.081 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -59.4 | -26.5 | 176.4 | 67 | 0 | 0 | 0 | 0 | 113.7 | E665 T666 L670 C671 A798 M799 | E665-C668 PolarHBondContact O-SG 3.37Å; E665-C668 VanDerWaalsContact O-SG 3.4Å; T666-C668 PolarHBondContact O-N 2.77Å; C668-L670 PolarHBondContact O-N 3.12Å; C668-C671 PolarHBondContact O-N 3.26Å; C668-A798 WeakPolarHBondContact CB-O 3.3Å; C668-M799 HydrophobicContact CB-CG 4.11Å |
| 669 | Y | 90.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -69.2 | -11.7 | 177.5 | -68.6 | -67.2 | 0 | 0 | 0 | 114.1 | F630 I638 T666 A667 C671 H672 V677 I681 F802 | F630-Y669 HydrophobicContact CB-CE2 4.21Å; F630-Y669 PolarHBondContact O-OH 3.03Å; I638-Y669 HydrophobicContact CG2-CE1 4.24Å; T666-Y669 HydrophobicContact CG2-CD2 4.28Å; T666-Y669 HydrophobicContact CG2-CE2 4.13Å; T666-Y669 WeakPolarHBondContact O-CB 3.4Å; T666-Y669 WeakPolarHBondContact O-CD2 3.26Å; T666-Y669 PolarHBondContact O-N 2.87Å; A667-Y669 PolarHBondContact O-N 3.19Å; Y669-C671 PolarHBondContact O-N 3.45Å; Y669-C671 VanDerWaalsContact O-N 3.11Å; Y669-H672 WeakPolarHBondContact O-CB 3.33Å; Y669-H672 PolarHBondContact O-N 3.35Å; Y669-V677 HydrophobicContact CD1-CG1 3.93Å; Y669-V677 HydrophobicContact CG-CG1 4.17Å; Y669-I681 HydrophobicContact CD2-CD1 3.96Å; Y669-I681 HydrophobicContact CD2-CG1 4.5Å; Y669-I681 HydrophobicContact CG-CD1 4.34Å; Y669-I681 HydrophobicContact CG-CG1 4.38Å; Y669-F802 HydrophobicContact CE1-CD1 4.2Å; Y669-F802 AromaticContact CE1-CD2 3.73Å; Y669-F802 HydrophobicContact CE1-CD2 3.73Å; Y669-F802 AromaticContact CE1-CE1 3.97Å; Y669-F802 HydrophobicContact CE1-CE1 3.97Å; Y669-F802 AromaticContact CE1-CE2 3.48Å; Y669-F802 HydrophobicContact CE1-CE2 3.48Å; Y669-F802 VanDerWaalsContact CE1-CE2 3.48Å; Y669-F802 HydrophobicContact CE1-CG 4.05Å; Y669-F802 AromaticContact CE1-CZ 3.58Å; Y669-F802 HydrophobicContact CE1-CZ 3.58Å; Y669-F802 AromaticContact CZ-CD2 3.66Å; Y669-F802 AromaticContact CZ-CE2 3.75Å; Y669-F802 WeakPolarHBondContact OH-CD2 3.33Å; Y669-F802 WeakPolarHBondContact OH-CE2 3.45Å |
| 670 | L | 90.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -57.2 | -25.2 | 171.6 | -71.4 | 173 | 0 | 0 | 0 | 112.4 | A667 C668 R678 I681 C682 I685 I705 F708 V726 | A667-L670 VanDerWaalsContact O-CB 3.3Å; A667-L670 WeakPolarHBondContact O-CB 3.26Å; A667-L670 VanDerWaalsContact O-CG 3.28Å; A667-L670 WeakPolarHBondContact O-CG 3.42Å; A667-L670 PolarHBondContact O-N 3.03Å; A667-L670 VanDerWaalsContact O-N 3.12Å; C668-L670 PolarHBondContact O-N 3.12Å; L670-R678 PolarHBondContact O-NE 2.91Å; L670-I681 HydrophobicContact CD2-CG2 3.73Å; L670-I681 HydrophobicContact CG-CG2 3.96Å; L670-C682 VanDerWaalsContact CD2-SG 3.58Å; L670-I685 HydrophobicContact CD1-CD1 4.07Å; L670-I685 HydrophobicContact CD2-CD1 4.07Å; L670-I685 HydrophobicContact CG-CD1 4.25Å; L670-I705 HydrophobicContact CD1-CB 4.28Å; L670-I705 HydrophobicContact CD1-CG2 4.12Å; L670-F708 HydrophobicContact CB-CB 4.23Å; L670-F708 HydrophobicContact CB-CG 4.4Å; L670-F708 HydrophobicContact CD1-CB 3.97Å; L670-F708 HydrophobicContact CD1-CD2 3.99Å; L670-F708 HydrophobicContact CD1-CG 4.25Å; L670-V726 HydrophobicContact CB-CG1 3.98Å; L670-V726 HydrophobicContact CD2-CG2 3.99Å; L670-V726 WeakPolarHBondContact O-CG1 3.47Å |
| 671 | C | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -95.1 | 0.1 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 114.2 | C668 Y669 F708 V730 Q795 M799 | C668-C671 PolarHBondContact O-N 3.26Å; Y669-C671 PolarHBondContact O-N 3.45Å; Y669-C671 VanDerWaalsContact O-N 3.11Å; C671-F708 WeakPolarHBondContact SG-CD1 3.39Å; C671-V730 HydrophobicContact CB-CG2 4.4Å; C671-V730 PolarHBondContact O-N 2.61Å; C671-Q795 HydrophobicContact CB-CB 4.02Å; C671-Q795 HydrophobicContact CB-CG 4Å; C671-Q795 VanDerWaalsContact SG-CG 3.58Å; C671-Q795 PolarHBondContact SG-NE2 3.16Å; C671-M799 HydrophobicContact CB-SD 4.37Å |
| 672 | H | 91.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -65.6 | 142 | -170.4 | -169.4 | -89.3 | 0 | 0 | 0 | 112.6 | E635 Y669 N674 V677 R678 P729 F735 | E635-H672 IonicContact OE1-CE1 2.73Å; E635-H672 PolarHBondContact OE1-CE1 2.92Å; E635-H672 IonicContact OE1-NE2 2.7Å; Y669-H672 WeakPolarHBondContact O-CB 3.33Å; Y669-H672 PolarHBondContact O-N 3.35Å; H672-N674 VanDerWaalsContact C-N 3.28Å; H672-N674 VanDerWaalsContact CE1-CB 3.44Å; H672-N674 WeakPolarHBondContact CE1-CB 3.46Å; H672-N674 VanDerWaalsContact ND1-CB 3.28Å; H672-N674 WeakPolarHBondContact ND1-CB 3.5Å; H672-N674 PolarHBondContact ND1-N 2.9Å; H672-N674 PolarHBondContact O-N 3.26Å; H672-V677 HydrophobicContact CB-CG1 4.23Å; H672-R678 HydrophobicContact CB-CG 4.34Å; H672-R678 WeakPolarHBondContact O-CD 3.29Å; H672-R678 WeakPolarHBondContact O-CG 3.32Å; H672-P729 WeakPolarHBondContact O-CB 3.45Å; H672-F735 AromaticContact NE2-CZ 3.84Å | ||
| 673 | P | 91.1 | Very high | 91.4 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -62.2 | -31.8 | -179.3 | 22.9 | -34.6 | 0 | 0 | 0 | 114.1 | V730 R732 F735 | P673-V730 WeakPolarHBondContact CB-O 3.5Å; P673-R732 HydrophobicContact CB-CB 4.31Å; P673-F735 HydrophobicContact CG-CB 4.05Å; P673-F735 HydrophobicContact CG-CD1 3.63Å; P673-F735 HydrophobicContact CG-CD2 4.18Å; P673-F735 HydrophobicContact CG-CE1 4.01Å; P673-F735 HydrophobicContact CG-CG 3.69Å; P673-F735 HydrophobicContact CG-CZ 4.46Å |
| 674 | N | 91.8 | Very high | 91.6 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 17% | 0.171 | 17% | 0.17 | C | C | . | . | trans | -77 | 123.5 | 180 | -168.6 | -51.9 | 0 | 0 | 0 | 112 | E635 H672 W676 V677 R678 | E635-N674 HydrophobicContact CB-CB 4.45Å; E635-N674 WeakPolarHBondContact OE2-CB 3.28Å; E635-N674 PolarHBondContact OE2-ND2 3.17Å; H672-N674 VanDerWaalsContact C-N 3.28Å; H672-N674 VanDerWaalsContact CE1-CB 3.44Å; H672-N674 WeakPolarHBondContact CE1-CB 3.46Å; H672-N674 VanDerWaalsContact ND1-CB 3.28Å; H672-N674 WeakPolarHBondContact ND1-CB 3.5Å; H672-N674 PolarHBondContact ND1-N 2.9Å; H672-N674 PolarHBondContact O-N 3.26Å; N674-W676 PolarHBondContact O-N 3.18Å; N674-W676 WeakPolarHBondContact OD1-CB 3.45Å; N674-W676 PolarHBondContact OD1-N 3.33Å; N674-V677 HydrophobicContact CB-CB 4.41Å; N674-V677 HydrophobicContact CB-CG2 4.1Å; N674-V677 PolarHBondContact O-N 2.98Å; N674-R678 PolarHBondContact O-N 3.44Å | ||
| 675 | L | 91 | Very high | 91.8 | Very high | 105 Ų | 105 | 30 Ų | 30 | 55% | 0.55 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.5 | -36.9 | -178.8 | -178.4 | 62.7 | 0 | 0 | 0 | 113.4 | R678 H679 | L675-R678 PolarHBondContact O-N 3.24Å; L675-H679 WeakPolarHBondContact O-CB 3.44Å; L675-H679 PolarHBondContact O-N 3.1Å |
| 676 | W | 92.3 | Very high | 92.1 | Very high | 172 Ų | 172 | 25.6 Ų | 25.6 | 65% | 0.652 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -63.5 | -44.3 | 179.8 | -63.4 | -17.4 | 0 | 0 | 0 | 111 | A639 N674 R678 H679 E680 | A639-W676 HydrophobicContact CB-CB 4.41Å; N674-W676 PolarHBondContact O-N 3.18Å; N674-W676 WeakPolarHBondContact OD1-CB 3.45Å; N674-W676 PolarHBondContact OD1-N 3.33Å; W676-R678 VanDerWaalsContact C-N 3.33Å; W676-R678 PolarHBondContact O-N 3.3Å; W676-H679 WeakPolarHBondContact O-CB 3.33Å; W676-H679 PolarHBondContact O-N 3.09Å; W676-E680 WeakPolarHBondContact O-CG 3.37Å; W676-E680 PolarHBondContact O-N 2.88Å |
| 677 | V | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | E635 I638 A639 I642 Y669 H672 N674 H679 E680 I681 | E635-V677 HydrophobicContact CB-CG2 4.36Å; E635-V677 WeakPolarHBondContact O-CG2 3.3Å; I638-V677 HydrophobicContact CG2-CG1 4.26Å; I638-V677 HydrophobicContact CG2-CG2 4.42Å; A639-V677 HydrophobicContact CB-CG2 4.22Å; I642-V677 HydrophobicContact CD1-CG1 4.01Å; Y669-V677 HydrophobicContact CD1-CG1 3.93Å; Y669-V677 HydrophobicContact CG-CG1 4.17Å; H672-V677 HydrophobicContact CB-CG1 4.23Å; N674-V677 HydrophobicContact CB-CB 4.41Å; N674-V677 HydrophobicContact CB-CG2 4.1Å; N674-V677 PolarHBondContact O-N 2.98Å; V677-H679 PolarHBondContact O-N 2.83Å; V677-E680 PolarHBondContact O-N 3.5Å; V677-I681 VanDerWaalsContact O-CG1 3.27Å; V677-I681 WeakPolarHBondContact O-CG1 3.3Å; V677-I681 PolarHBondContact O-N 2.91Å |
| 678 | R | 93.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 177.3 | -69 | -179.2 | 71 | -151.9 | 2.5 | 112.3 | L670 H672 N674 L675 W676 I681 C682 L723 H727 | L670-R678 PolarHBondContact O-NE 2.91Å; H672-R678 HydrophobicContact CB-CG 4.34Å; H672-R678 WeakPolarHBondContact O-CD 3.29Å; H672-R678 WeakPolarHBondContact O-CG 3.32Å; N674-R678 PolarHBondContact O-N 3.44Å; L675-R678 PolarHBondContact O-N 3.24Å; W676-R678 VanDerWaalsContact C-N 3.33Å; W676-R678 PolarHBondContact O-N 3.3Å; R678-I681 PolarHBondContact O-N 3.48Å; R678-C682 WeakPolarHBondContact O-CB 3.36Å; R678-C682 PolarHBondContact O-N 2.84Å; R678-C682 PolarHBondContact O-SG 2.98Å; R678-L723 HydrophobicContact CB-CD1 4.13Å; R678-H727 PolarHBondContact NH2-O 3.28Å |
| 679 | H | 93.1 | Very high | 92.4 | Very high | 100 Ų | 100 | 25.3 Ų | 25.3 | 46% | 0.463 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -60.6 | -50.4 | 177.8 | -180 | -92.3 | 0 | 0 | 0 | 111.2 | L675 W676 V677 I681 C682 G683 | L675-H679 WeakPolarHBondContact O-CB 3.44Å; L675-H679 PolarHBondContact O-N 3.1Å; W676-H679 WeakPolarHBondContact O-CB 3.33Å; W676-H679 PolarHBondContact O-N 3.09Å; V677-H679 PolarHBondContact O-N 2.83Å; H679-I681 PolarHBondContact O-N 3.14Å; H679-C682 PolarHBondContact O-N 2.89Å; H679-G683 PolarHBondContact O-N 3.01Å |
| 680 | E | 94.1 | Very high | 92.3 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 19% | 0.187 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | -179.5 | -64.2 | -49.1 | 120.5 | 0 | 0 | 112.3 | A639 I642 R643 W676 V677 G683 M684 | A639-E680 HydrophobicContact CB-CG 4.17Å; I642-E680 HydrophobicContact CB-CB 4.07Å; I642-E680 VanDerWaalsContact CG2-C 3.49Å; I642-E680 HydrophobicContact CG2-CB 3.74Å; I642-E680 WeakPolarHBondContact CG2-O 3.31Å; R643-E680 WeakPolarHBondContact CB-OE2 3.33Å; R643-E680 WeakPolarHBondContact CG-OE2 3.42Å; W676-E680 WeakPolarHBondContact O-CG 3.37Å; W676-E680 PolarHBondContact O-N 2.88Å; V677-E680 PolarHBondContact O-N 3.5Å; E680-G683 PolarHBondContact O-N 2.83Å; E680-M684 PolarHBondContact O-N 3.02Å |
| 681 | I | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 176.4 | -69.3 | -74.2 | 0 | 0 | 0 | 111.8 | I642 Y669 L670 V677 R678 H679 G683 M684 I685 | I642-I681 HydrophobicContact CB-CD1 4.3Å; I642-I681 HydrophobicContact CD1-CD1 3.46Å; I642-I681 VanDerWaalsContact CD1-CD1 3.46Å; I642-I681 HydrophobicContact CD1-CG1 3.6Å; I642-I681 HydrophobicContact CG1-CD1 3.63Å; I642-I681 HydrophobicContact CG1-CG1 4.26Å; I642-I681 HydrophobicContact CG2-CD1 3.65Å; I642-I681 HydrophobicContact CG2-CG1 4.04Å; Y669-I681 HydrophobicContact CD2-CD1 3.96Å; Y669-I681 HydrophobicContact CD2-CG1 4.5Å; Y669-I681 HydrophobicContact CG-CD1 4.34Å; Y669-I681 HydrophobicContact CG-CG1 4.38Å; L670-I681 HydrophobicContact CD2-CG2 3.73Å; L670-I681 HydrophobicContact CG-CG2 3.96Å; V677-I681 VanDerWaalsContact O-CG1 3.27Å; V677-I681 WeakPolarHBondContact O-CG1 3.3Å; V677-I681 PolarHBondContact O-N 2.91Å; R678-I681 PolarHBondContact O-N 3.48Å; H679-I681 PolarHBondContact O-N 3.14Å; I681-G683 VanDerWaalsContact C-N 3.26Å; I681-G683 PolarHBondContact O-N 2.91Å; I681-M684 HydrophobicContact CD1-CE 3.79Å; I681-M684 PolarHBondContact O-N 2.82Å; I681-I685 HydrophobicContact CG2-CD1 3.62Å; I681-I685 HydrophobicContact CG2-CG1 4.37Å; I681-I685 VanDerWaalsContact O-CG1 3.31Å; I681-I685 WeakPolarHBondContact O-CG1 3.49Å; I681-I685 PolarHBondContact O-N 2.79Å |
| 682 | C | 93.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -39.6 | 174.7 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | L670 R678 H679 A686 L722 | L670-C682 VanDerWaalsContact CD2-SG 3.58Å; R678-C682 WeakPolarHBondContact O-CB 3.36Å; R678-C682 PolarHBondContact O-N 2.84Å; R678-C682 PolarHBondContact O-SG 2.98Å; H679-C682 PolarHBondContact O-N 2.89Å; C682-A686 VanDerWaalsContact O-CB 3.22Å; C682-A686 WeakPolarHBondContact O-CB 3.46Å; C682-A686 PolarHBondContact O-N 3.15Å; C682-L722 HydrophobicContact CB-CD2 4.06Å; C682-L722 HydrophobicContact CB-CG 4.35Å |
| 683 | G | 93.3 | Very high | 91.9 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -51 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H679 E680 I681 I685 A686 T687 | H679-G683 PolarHBondContact O-N 3.01Å; E680-G683 PolarHBondContact O-N 2.83Å; I681-G683 VanDerWaalsContact C-N 3.26Å; I681-G683 PolarHBondContact O-N 2.91Å; G683-I685 PolarHBondContact O-N 2.85Å; G683-A686 PolarHBondContact O-N 3.49Å; G683-T687 WeakPolarHBondContact O-CB 3.31Å; G683-T687 PolarHBondContact O-N 2.96Å; G683-T687 PolarHBondContact O-OG1 2.91Å |
| 684 | M | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 179.3 | -170.5 | 176.7 | 66 | 0 | 0 | 112.8 | I642 V645 T646 I649 I662 T666 E680 I681 T687 T688 | I642-M684 HydrophobicContact CG2-CB 4.02Å; I642-M684 HydrophobicContact CG2-CE 4.32Å; I642-M684 HydrophobicContact CG2-SD 3.99Å; V645-M684 HydrophobicContact CB-SD 4.01Å; V645-M684 HydrophobicContact CG1-CG 4.43Å; V645-M684 HydrophobicContact CG1-SD 3.6Å; V645-M684 VanDerWaalsContact CG1-SD 3.6Å; T646-M684 VanDerWaalsContact OG1-CA 3.3Å; T646-M684 WeakPolarHBondContact OG1-CA 3.11Å; T646-M684 WeakPolarHBondContact OG1-CB 3.41Å; I649-M684 HydrophobicContact CD1-CG 4.07Å; I662-M684 HydrophobicContact CG2-CE 4.3Å; I662-M684 HydrophobicContact CG2-SD 4.26Å; T666-M684 HydrophobicContact CG2-CE 4.3Å; T666-M684 WeakPolarHBondContact OG1-CE 3.38Å; E680-M684 PolarHBondContact O-N 3.02Å; I681-M684 HydrophobicContact CD1-CE 3.79Å; I681-M684 PolarHBondContact O-N 2.82Å; M684-T687 PolarHBondContact O-N 3.17Å; M684-T688 WeakPolarHBondContact O-CB 3.38Å; M684-T688 PolarHBondContact O-N 3.46Å; M684-T688 PolarHBondContact O-OG1 2.87Å |
| 685 | I | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.9 | -45.4 | 179.4 | -68.9 | 164.8 | 0 | 0 | 0 | 110.3 | V663 L670 I681 G683 T688 A689 I701 I705 V716 L722 | V663-I685 HydrophobicContact CG1-CG1 4.23Å; L670-I685 HydrophobicContact CD1-CD1 4.07Å; L670-I685 HydrophobicContact CD2-CD1 4.07Å; L670-I685 HydrophobicContact CG-CD1 4.25Å; I681-I685 HydrophobicContact CG2-CD1 3.62Å; I681-I685 HydrophobicContact CG2-CG1 4.37Å; I681-I685 VanDerWaalsContact O-CG1 3.31Å; I681-I685 WeakPolarHBondContact O-CG1 3.49Å; I681-I685 PolarHBondContact O-N 2.79Å; G683-I685 PolarHBondContact O-N 2.85Å; I685-T688 WeakPolarHBondContact O-CB 3.36Å; I685-T688 PolarHBondContact O-N 2.78Å; I685-A689 WeakPolarHBondContact O-CB 3.22Å; I685-A689 PolarHBondContact O-N 2.88Å; I685-I701 HydrophobicContact CG2-CG2 3.91Å; I685-I705 HydrophobicContact CD1-CG2 3.91Å; I685-I705 HydrophobicContact CG2-CG2 4.3Å; I685-V716 HydrophobicContact CG2-CG1 3.85Å; I685-L722 HydrophobicContact CB-CD2 3.96Å; I685-L722 HydrophobicContact CG2-CD2 3.77Å |
| 686 | A | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | C682 G683 A689 R690 V716 P719 | C682-A686 VanDerWaalsContact O-CB 3.22Å; C682-A686 WeakPolarHBondContact O-CB 3.46Å; C682-A686 PolarHBondContact O-N 3.15Å; G683-A686 PolarHBondContact O-N 3.49Å; A686-A689 PolarHBondContact O-N 2.96Å; A686-R690 WeakPolarHBondContact O-CG 3.17Å; A686-R690 PolarHBondContact O-N 3.42Å; A686-V716 WeakPolarHBondContact CA-O 3.19Å; A686-V716 WeakPolarHBondContact CB-O 3.43Å; A686-P719 HydrophobicContact CB-CB 4.31Å; A686-P719 HydrophobicContact CB-CG 3.72Å |
| 687 | T | 92.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 173.3 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | T646 I649 E650 G683 M684 A689 R690 N691 | T646-T687 HydrophobicContact CG2-CG2 4.01Å; I649-T687 HydrophobicContact CB-CG2 4.34Å; I649-T687 HydrophobicContact CG2-CG2 3.97Å; E650-T687 HydrophobicContact CG-CG2 3.31Å; E650-T687 PolarHBondContact OE1-OG1 2.75Å; G683-T687 WeakPolarHBondContact O-CB 3.31Å; G683-T687 PolarHBondContact O-N 2.96Å; G683-T687 PolarHBondContact O-OG1 2.91Å; M684-T687 PolarHBondContact O-N 3.17Å; T687-A689 VanDerWaalsContact C-N 3.31Å; T687-A689 PolarHBondContact O-N 3.1Å; T687-R690 WeakPolarHBondContact O-CB 3.43Å; T687-R690 PolarHBondContact O-N 3.22Å; T687-R690 PolarHBondContact OG1-NH2 2.89Å; T687-N691 PolarHBondContact O-N 3.43Å; T687-N691 VanDerWaalsContact O-N 3.17Å |
| 688 | T | 91.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | V659 V663 M684 I685 R690 N691 L692 I701 | V659-T688 HydrophobicContact CG1-CG2 3.44Å; V659-T688 VanDerWaalsContact CG1-CG2 3.44Å; V663-T688 HydrophobicContact CG2-CG2 4.07Å; M684-T688 WeakPolarHBondContact O-CB 3.38Å; M684-T688 PolarHBondContact O-N 3.46Å; M684-T688 PolarHBondContact O-OG1 2.87Å; I685-T688 WeakPolarHBondContact O-CB 3.36Å; I685-T688 PolarHBondContact O-N 2.78Å; T688-R690 VanDerWaalsContact C-N 3.31Å; T688-R690 PolarHBondContact O-N 3.25Å; T688-N691 PolarHBondContact O-N 3.15Å; T688-L692 HydrophobicContact CG2-CD1 3.56Å; T688-L692 HydrophobicContact CG2-CG 4.13Å; T688-L692 WeakPolarHBondContact O-CB 2.82Å; T688-L692 WeakPolarHBondContact O-CG 3.47Å; T688-L692 PolarHBondContact O-N 3.09Å; T688-L692 VanDerWaalsContact O-N 3.1Å; T688-I701 HydrophobicContact CG2-CD1 3.66Å; T688-I701 HydrophobicContact CG2-CG1 4.43Å |
| 689 | A | 90.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -36.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I685 A686 T687 N691 V697 V716 E717 | I685-A689 WeakPolarHBondContact O-CB 3.22Å; I685-A689 PolarHBondContact O-N 2.88Å; A686-A689 PolarHBondContact O-N 2.96Å; T687-A689 VanDerWaalsContact C-N 3.31Å; T687-A689 PolarHBondContact O-N 3.1Å; A689-N691 VanDerWaalsContact C-N 3.33Å; A689-N691 PolarHBondContact O-N 3.47Å; A689-V697 HydrophobicContact CB-CG1 4.28Å; A689-V697 HydrophobicContact CB-CG2 4.09Å; A689-V716 HydrophobicContact CB-CB 4.15Å; A689-V716 HydrophobicContact CB-CG1 4.05Å; A689-E717 HydrophobicContact CB-CG 4.29Å |
| 690 | R | 90.3 | Very high | 90.3 | Very high | 141 Ų | 141 | 42 Ų | 42 | 53% | 0.532 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.2 | -32.5 | 174.3 | -71.6 | -174 | -67 | 160.6 | 4.1 | 113.4 | E650 A686 T687 T688 E717 | E650-R690 IonicContact OE1-NH2 3.4Å; E650-R690 PolarHBondContact OE1-NH2 3.49Å; A686-R690 WeakPolarHBondContact O-CG 3.17Å; A686-R690 PolarHBondContact O-N 3.42Å; T687-R690 WeakPolarHBondContact O-CB 3.43Å; T687-R690 PolarHBondContact O-N 3.22Å; T687-R690 PolarHBondContact OG1-NH2 2.89Å; T688-R690 VanDerWaalsContact C-N 3.31Å; T688-R690 PolarHBondContact O-N 3.25Å; R690-E717 HydrophobicContact CG-CB 3.81Å; R690-E717 HydrophobicContact CG-CG 4.06Å |
| 691 | N | 87.5 | Confident | 90.1 | Very high | 76 Ų | 76 | 40 Ų | 40 | 41% | 0.406 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -95 | -8.7 | -174.2 | -72.6 | -10.9 | 0 | 0 | 0 | 114.4 | I649 T687 T688 A689 | I649-N691 HydrophobicContact CG2-CB 4.49Å; I649-N691 PolarHBondContact O-ND2 3.24Å; T687-N691 PolarHBondContact O-N 3.43Å; T687-N691 VanDerWaalsContact O-N 3.17Å; T688-N691 PolarHBondContact O-N 3.15Å; A689-N691 VanDerWaalsContact C-N 3.33Å; A689-N691 PolarHBondContact O-N 3.47Å |
| 692 | L | 88.4 | Confident | 89.8 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 12% | 0.115 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -102.5 | 162.7 | 178.2 | -69.4 | -179.1 | 0 | 0 | 0 | 112 | K656 T660 T688 D696 V697 I701 | K656-L692 HydrophobicContact CB-CD2 4.43Å; K656-L692 HydrophobicContact CD-CD2 4.2Å; K656-L692 HydrophobicContact CG-CD2 4.22Å; T660-L692 HydrophobicContact CG2-CD1 3.91Å; T688-L692 HydrophobicContact CG2-CD1 3.56Å; T688-L692 HydrophobicContact CG2-CG 4.13Å; T688-L692 WeakPolarHBondContact O-CB 2.82Å; T688-L692 WeakPolarHBondContact O-CG 3.47Å; T688-L692 PolarHBondContact O-N 3.09Å; T688-L692 VanDerWaalsContact O-N 3.1Å; L692-D696 HydrophobicContact CB-CB 4.06Å; L692-D696 HydrophobicContact CD1-CB 4.35Å; L692-V697 HydrophobicContact CB-CG2 4.12Å; L692-I701 HydrophobicContact CD1-CD1 4.11Å; L692-I701 HydrophobicContact CD1-CG1 4.15Å |
| 693 | S | 88.9 | Confident | 89.6 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 36% | 0.357 | 26% | 0.255 | S | S | . | . | trans | -69.7 | 151.8 | 173.1 | 74.6 | 0 | 0 | 0 | 0 | 110.4 | I695 D696 V697 | S693-I695 PolarHBondContact O-N 3.34Å; S693-I695 VanDerWaalsContact O-N 3.08Å; S693-D696 PolarHBondContact O-N 3.23Å; S693-D696 VanDerWaalsContact OG-CG 3.3Å; S693-D696 PolarHBondContact OG-N 2.82Å; S693-D696 VanDerWaalsContact OG-N 3.17Å; S693-D696 PolarHBondContact OG-OD2 3.35Å; S693-V697 WeakPolarHBondContact O-CG2 3.48Å; S693-V697 PolarHBondContact O-N 2.99Å | ||
| 694 | A | 85.4 | Confident | 89.3 | Confident | 81 Ų | 81 | 46 Ų | 46 | 67% | 0.669 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -54.6 | -32.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q698 | A694-Q698 WeakPolarHBondContact O-CG 3.44Å; A694-Q698 PolarHBondContact O-N 3.48Å; A694-Q698 VanDerWaalsContact O-N 3.17Å |
| 695 | I | 86.6 | Confident | 89.1 | Confident | 126 Ų | 126 | 46 Ų | 46 | 65% | 0.646 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -68.2 | -47.3 | 175.6 | -59.5 | 173.1 | 0 | 0 | 0 | 110.5 | S693 V697 Q698 C699 | S693-I695 PolarHBondContact O-N 3.34Å; S693-I695 VanDerWaalsContact O-N 3.08Å; I695-V697 VanDerWaalsContact C-N 3.28Å; I695-V697 PolarHBondContact O-N 3.17Å; I695-Q698 PolarHBondContact O-N 2.85Å; I695-C699 VanDerWaalsContact O-CB 3.31Å; I695-C699 WeakPolarHBondContact O-CB 3.27Å; I695-C699 PolarHBondContact O-N 3.29Å; I695-C699 PolarHBondContact O-SG 3.28Å; I695-C699 VanDerWaalsContact O-SG 3.38Å |
| 696 | D | 88 | Confident | 88.8 | Confident | 37 Ų | 37 | 47.8 Ų | 47.8 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 177.5 | -72.9 | -58.6 | 0 | 0 | 0 | 111.7 | L692 S693 K700 | L692-D696 HydrophobicContact CB-CB 4.06Å; L692-D696 HydrophobicContact CD1-CB 4.35Å; S693-D696 PolarHBondContact O-N 3.23Å; S693-D696 VanDerWaalsContact OG-CG 3.3Å; S693-D696 PolarHBondContact OG-N 2.82Å; S693-D696 VanDerWaalsContact OG-N 3.17Å; S693-D696 PolarHBondContact OG-OD2 3.35Å; D696-K700 WeakPolarHBondContact O-CA 3.32Å; D696-K700 VanDerWaalsContact O-CB 3.26Å; D696-K700 WeakPolarHBondContact O-CB 3.3Å; D696-K700 PolarHBondContact O-N 3.14Å; D696-K700 WeakPolarHBondContact OD1-CE 3.39Å; D696-K700 IonicContact OD1-NZ 3.9Å; D696-K700 PolarHBondContact OD1-NZ 2.8Å |
| 697 | V | 88.1 | Confident | 88.4 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -61.4 | -48.9 | 175.5 | 177 | 0 | 0 | 0 | 0 | 110.8 | A689 L692 S693 I695 I701 M702 | A689-V697 HydrophobicContact CB-CG1 4.28Å; A689-V697 HydrophobicContact CB-CG2 4.09Å; L692-V697 HydrophobicContact CB-CG2 4.12Å; S693-V697 WeakPolarHBondContact O-CG2 3.48Å; S693-V697 PolarHBondContact O-N 2.99Å; I695-V697 VanDerWaalsContact C-N 3.28Å; I695-V697 PolarHBondContact O-N 3.17Å; V697-I701 HydrophobicContact CG1-CB 4.4Å; V697-I701 WeakPolarHBondContact O-CB 3.37Å; V697-I701 PolarHBondContact O-N 2.69Å; V697-I701 VanDerWaalsContact O-N 3.11Å; V697-M702 PolarHBondContact O-N 2.96Å |
| 698 | Q | 87.9 | Confident | 88.2 | Confident | 107 Ų | 107 | 51.2 Ų | 51.2 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -70.4 | -33.7 | -179.5 | -68.5 | -62.6 | -20.5 | 0 | 0 | 113.4 | A694 I695 P703 | A694-Q698 WeakPolarHBondContact O-CG 3.44Å; A694-Q698 PolarHBondContact O-N 3.48Å; A694-Q698 VanDerWaalsContact O-N 3.17Å; I695-Q698 PolarHBondContact O-N 2.85Å; Q698-P703 WeakPolarHBondContact O-CD 3.47Å |
| 699 | C | 88.2 | Confident | 88.1 | Confident | 86 Ų | 86 | 52 Ų | 52 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | I | π-helix | trans | -90.1 | -25.5 | -176.1 | -67.5 | 0 | 0 | 0 | 0 | 114.2 | I695 P703 | I695-C699 VanDerWaalsContact O-CB 3.31Å; I695-C699 WeakPolarHBondContact O-CB 3.27Å; I695-C699 PolarHBondContact O-N 3.29Å; I695-C699 PolarHBondContact O-SG 3.28Å; I695-C699 VanDerWaalsContact O-SG 3.38Å; C699-P703 WeakPolarHBondContact O-CG 3.11Å |
| 700 | K | 87.3 | Confident | 88 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -119.7 | -39.5 | -173 | -58.6 | 178.9 | -180 | 154.4 | 0 | 113.6 | T660 D696 | T660-K700 HydrophobicContact CG2-CB 4.18Å; T660-K700 HydrophobicContact CG2-CD 3.75Å; D696-K700 WeakPolarHBondContact O-CA 3.32Å; D696-K700 VanDerWaalsContact O-CB 3.26Å; D696-K700 WeakPolarHBondContact O-CB 3.3Å; D696-K700 PolarHBondContact O-N 3.14Å; D696-K700 WeakPolarHBondContact OD1-CE 3.39Å; D696-K700 IonicContact OD1-NZ 3.9Å; D696-K700 PolarHBondContact OD1-NZ 2.8Å |
| 701 | I | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -85.9 | -50.8 | -177.3 | -54 | -62.7 | 0 | 0 | 0 | 111.1 | V663 I685 T688 L692 V697 A704 I705 | V663-I701 HydrophobicContact CB-CD1 4.1Å; V663-I701 HydrophobicContact CG1-CD1 3.82Å; V663-I701 HydrophobicContact CG2-CD1 4.12Å; I685-I701 HydrophobicContact CG2-CG2 3.91Å; T688-I701 HydrophobicContact CG2-CD1 3.66Å; T688-I701 HydrophobicContact CG2-CG1 4.43Å; L692-I701 HydrophobicContact CD1-CD1 4.11Å; L692-I701 HydrophobicContact CD1-CG1 4.15Å; V697-I701 HydrophobicContact CG1-CB 4.4Å; V697-I701 WeakPolarHBondContact O-CB 3.37Å; V697-I701 PolarHBondContact O-N 2.69Å; V697-I701 VanDerWaalsContact O-N 3.11Å; I701-A704 WeakPolarHBondContact O-CB 3.29Å; I701-A704 PolarHBondContact O-N 3.24Å; I701-I705 PolarHBondContact O-N 3.26Å; I701-I705 VanDerWaalsContact O-N 3.11Å |
| 702 | M | 89.2 | Confident | 87.3 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.7 | -41.7 | -178.5 | -71.1 | -60.4 | -66.4 | 0 | 0 | 113.9 | V697 A704 I705 G706 L713 V716 | V697-M702 PolarHBondContact O-N 2.96Å; M702-A704 VanDerWaalsContact C-N 3.28Å; M702-A704 PolarHBondContact O-N 3.17Å; M702-I705 PolarHBondContact O-N 3.18Å; M702-I705 HydrophobicContact SD-CD1 3.92Å; M702-I705 HydrophobicContact SD-CG1 4.35Å; M702-G706 WeakPolarHBondContact O-CA 3.38Å; M702-G706 PolarHBondContact O-N 2.95Å; M702-L713 WeakPolarHBondContact CE-O 3.31Å; M702-V716 HydrophobicContact SD-CG2 3.43Å; M702-V716 WeakPolarHBondContact SD-CG2 3.34Å |
| 703 | P | 89.1 | Confident | 87 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.9 | -30.8 | 175.6 | -23.8 | 37.3 | 0 | 0 | 0 | 113.2 | Q698 C699 | Q698-P703 WeakPolarHBondContact O-CD 3.47Å; C699-P703 WeakPolarHBondContact O-CG 3.11Å |
| 704 | A | 87.2 | Confident | 86.4 | Confident | 20 Ų | 20 | 60 Ų | 60 | 17% | 0.165 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72.6 | -36.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q664 I701 M702 F708 | Q664-A704 HydrophobicContact CG-CB 3.99Å; I701-A704 WeakPolarHBondContact O-CB 3.29Å; I701-A704 PolarHBondContact O-N 3.24Å; M702-A704 VanDerWaalsContact C-N 3.28Å; M702-A704 PolarHBondContact O-N 3.17Å; A704-F708 WeakPolarHBondContact O-CE2 3.33Å |
| 705 | I | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -93.8 | -18.4 | -177.5 | 67.4 | 175.6 | 0 | 0 | 0 | 113.9 | L670 I685 I701 M702 A707 F708 L709 V716 L722 | L670-I705 HydrophobicContact CD1-CB 4.28Å; L670-I705 HydrophobicContact CD1-CG2 4.12Å; I685-I705 HydrophobicContact CD1-CG2 3.91Å; I685-I705 HydrophobicContact CG2-CG2 4.3Å; I701-I705 PolarHBondContact O-N 3.26Å; I701-I705 VanDerWaalsContact O-N 3.11Å; M702-I705 PolarHBondContact O-N 3.18Å; M702-I705 HydrophobicContact SD-CD1 3.92Å; M702-I705 HydrophobicContact SD-CG1 4.35Å; I705-A707 VanDerWaalsContact C-N 3.28Å; I705-A707 PolarHBondContact O-N 3.42Å; I705-A707 VanDerWaalsContact O-N 3.14Å; I705-F708 WeakPolarHBondContact O-CB 3.43Å; I705-F708 PolarHBondContact O-N 3.36Å; I705-L709 HydrophobicContact CD1-CD1 4.07Å; I705-L709 HydrophobicContact CG1-CD1 4.05Å; I705-V716 HydrophobicContact CD1-CG1 4.17Å; I705-V716 HydrophobicContact CD1-CG2 4.48Å; I705-L722 HydrophobicContact CD1-CD1 4.25Å |
| 706 | G | 86.2 | Confident | 86.1 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 40% | 0.402 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -55.6 | -36.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | M702 F708 L709 | M702-G706 WeakPolarHBondContact O-CA 3.38Å; M702-G706 PolarHBondContact O-N 2.95Å; G706-F708 PolarHBondContact O-N 3.07Å; G706-L709 PolarHBondContact O-N 2.86Å |
| 707 | A | 85.5 | Confident | 85.9 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 49% | 0.488 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -68.7 | -13 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I705 M794 | I705-A707 VanDerWaalsContact C-N 3.28Å; I705-A707 PolarHBondContact O-N 3.42Å; I705-A707 VanDerWaalsContact O-N 3.14Å; A707-M794 WeakPolarHBondContact O-CE 2.91Å |
| 708 | F | 88.7 | Confident | 85.8 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 8% | 0.075 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -106.2 | -4.1 | -176 | -52.5 | -65 | 0 | 0 | 0 | 113.4 | A667 L670 C671 A704 I705 G706 V726 H727 A798 | A667-F708 HydrophobicContact CB-CD2 4.38Å; A667-F708 HydrophobicContact CB-CE2 3.89Å; L670-F708 HydrophobicContact CB-CB 4.23Å; L670-F708 HydrophobicContact CB-CG 4.4Å; L670-F708 HydrophobicContact CD1-CB 3.97Å; L670-F708 HydrophobicContact CD1-CD2 3.99Å; L670-F708 HydrophobicContact CD1-CG 4.25Å; C671-F708 WeakPolarHBondContact SG-CD1 3.39Å; A704-F708 WeakPolarHBondContact O-CE2 3.33Å; I705-F708 WeakPolarHBondContact O-CB 3.43Å; I705-F708 PolarHBondContact O-N 3.36Å; G706-F708 PolarHBondContact O-N 3.07Å; F708-V726 WeakPolarHBondContact O-CA 3.49Å; F708-H727 VanDerWaalsContact C-CD2 3.45Å; F708-H727 PolarHBondContact O-CD2 3.46Å; F708-H727 VanDerWaalsContact O-CD2 3.27Å; F708-H727 PolarHBondContact O-N 3.43Å; F708-A798 HydrophobicContact CE1-CB 3.6Å; F708-A798 HydrophobicContact CZ-CB 3.77Å |
| 709 | L | 89.1 | Confident | 85.8 | Confident | 17 Ų | 17 | 57.5 Ų | 57.5 | 9% | 0.089 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -95.8 | 135.8 | -176.3 | -62.6 | 176 | 0 | 0 | 0 | 112.2 | I705 G706 A711 L713 L722 C725 V726 H727 | I705-L709 HydrophobicContact CD1-CD1 4.07Å; I705-L709 HydrophobicContact CG1-CD1 4.05Å; G706-L709 PolarHBondContact O-N 2.86Å; L709-A711 VanDerWaalsContact C-N 3.3Å; L709-L713 HydrophobicContact CD1-CB 4.14Å; L709-L722 HydrophobicContact CD2-CD1 3.85Å; L709-C725 HydrophobicContact CD2-CB 4.42Å; L709-V726 HydrophobicContact CD2-CG2 4.13Å; L709-H727 PolarHBondContact O-NE2 3.43Å |
| 710 | K | 87.8 | Confident | 85.7 | Confident | 120 Ų | 120 | 59 Ų | 59 | 52% | 0.522 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -69.4 | -27.8 | 172 | -62.8 | 170.8 | -176.7 | 145 | 0 | 112.8 | D724 C725 V726 | K710-D724 PolarHBondContact NZ-O 3.14Å; K710-C725 WeakPolarHBondContact CB-O 3.4Å; K710-C725 PolarHBondContact N-O 3.47Å; K710-V726 WeakPolarHBondContact CE-O 3.44Å; K710-V726 PolarHBondContact NZ-O 3.48Å |
| 711 | A | 84.1 | Confident | 85.7 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -149.3 | 153 | -172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L709 L713 | L709-A711 VanDerWaalsContact C-N 3.3Å; A711-L713 PolarHBondContact O-N 3.43Å |
| 712 | P | 80 | Confident | 85.6 | Confident | 131 Ų | 131 | 57.5 Ų | 57.5 | 85% | 0.851 | 33% | 0.326 | S | S | * | . | trans | -63 | 128.2 | 175.9 | 26.3 | -33.6 | 0 | 0 | 0 | 110.5 | ||||
| 713 | L | 81.9 | Confident | 85.6 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | trans | -105.4 | 131.5 | -176.3 | -155 | 103.4 | 0 | 0 | 0 | 110.7 | M702 L709 A711 Q715 V716 I721 L722 C725 | M702-L713 WeakPolarHBondContact CE-O 3.31Å; L709-L713 HydrophobicContact CD1-CB 4.14Å; A711-L713 PolarHBondContact O-N 3.43Å; L713-Q715 WeakPolarHBondContact CD2-O 3.23Å; L713-V716 VanDerWaalsContact CD2-CA 3.45Å; L713-V716 HydrophobicContact CD2-CB 4.04Å; L713-V716 HydrophobicContact CD2-CG2 3.67Å; L713-I721 HydrophobicContact CD1-CG2 4.11Å; L713-L722 HydrophobicContact CD2-CD1 4.18Å; L713-C725 HydrophobicContact CD1-CB 3.44Å; L713-C725 VanDerWaalsContact CD1-CB 3.44Å; L713-C725 WeakPolarHBondContact CD1-SG 3.13Å | ||
| 714 | I | 76.4 | Confident | 85.5 | Confident | 149 Ų | 149 | 59.1 Ų | 59.1 | 76% | 0.764 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -98.8 | -39.5 | 176.6 | -56.9 | 174.1 | 0 | 0 | 0 | 111.2 | ||
| 715 | Q | 79.9 | Confident | 85.6 | Confident | 96 Ų | 96 | 59.6 Ų | 59.6 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | trans | -103.9 | 79.5 | -177.5 | -66.8 | -173.3 | -10.7 | 0 | 0 | 111.5 | L713 E717 | L713-Q715 WeakPolarHBondContact CD2-O 3.23Å; Q715-E717 VanDerWaalsContact C-OE2 3.29Å; Q715-E717 VanDerWaalsContact CA-OE2 3.29Å; Q715-E717 WeakPolarHBondContact CA-OE2 3.48Å; Q715-E717 PolarHBondContact O-N 2.88Å | ||
| 716 | V | 84.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -19.1 | 179.8 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | I685 A686 A689 M702 I705 L713 K718 | I685-V716 HydrophobicContact CG2-CG1 3.85Å; A686-V716 WeakPolarHBondContact CA-O 3.19Å; A686-V716 WeakPolarHBondContact CB-O 3.43Å; A689-V716 HydrophobicContact CB-CB 4.15Å; A689-V716 HydrophobicContact CB-CG1 4.05Å; M702-V716 HydrophobicContact SD-CG2 3.43Å; M702-V716 WeakPolarHBondContact SD-CG2 3.34Å; I705-V716 HydrophobicContact CD1-CG1 4.17Å; I705-V716 HydrophobicContact CD1-CG2 4.48Å; L713-V716 VanDerWaalsContact CD2-CA 3.45Å; L713-V716 HydrophobicContact CD2-CB 4.04Å; L713-V716 HydrophobicContact CD2-CG2 3.67Å; V716-K718 PolarHBondContact O-N 3.44Å; V716-K718 VanDerWaalsContact O-N 3.14Å |
| 717 | E | 83.9 | Confident | 85.9 | Confident | 76 Ų | 76 | 59.7 Ų | 59.7 | 36% | 0.355 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -9.5 | -175 | -52.9 | 80.2 | -172.9 | 0 | 0 | 113.4 | A689 R690 Q715 | A689-E717 HydrophobicContact CB-CG 4.29Å; R690-E717 HydrophobicContact CG-CB 3.81Å; R690-E717 HydrophobicContact CG-CG 4.06Å; Q715-E717 VanDerWaalsContact C-OE2 3.29Å; Q715-E717 VanDerWaalsContact CA-OE2 3.29Å; Q715-E717 WeakPolarHBondContact CA-OE2 3.48Å; Q715-E717 PolarHBondContact O-N 2.88Å |
| 718 | K | 86.1 | Confident | 86 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 38% | 0.378 | 32% | 0.32 | S | S | . | . | trans | -106 | 108.1 | -179.5 | -72.3 | 179.3 | 179.5 | 168.1 | 0 | 110.8 | V716 H720 I721 L722 | V716-K718 PolarHBondContact O-N 3.44Å; V716-K718 VanDerWaalsContact O-N 3.14Å; K718-H720 VanDerWaalsContact C-N 3.32Å; K718-H720 PolarHBondContact O-N 2.84Å; K718-I721 HydrophobicContact CB-CB 4.22Å; K718-I721 HydrophobicContact CB-CD1 3.93Å; K718-I721 HydrophobicContact CB-CG1 3.84Å; K718-I721 HydrophobicContact CD-CD1 3.44Å; K718-I721 VanDerWaalsContact CD-CD1 3.44Å; K718-I721 HydrophobicContact CD-CG1 4.16Å; K718-I721 HydrophobicContact CG-CD1 4.34Å; K718-I721 PolarHBondContact O-N 3.07Å; K718-L722 PolarHBondContact O-N 3.45Å; K718-L722 VanDerWaalsContact O-N 3.12Å | ||
| 719 | P | 87.4 | Confident | 86.2 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | -175.1 | -21 | 27.3 | 0 | 0 | 0 | 114.2 | A686 L722 L723 | A686-P719 HydrophobicContact CB-CB 4.31Å; A686-P719 HydrophobicContact CB-CG 3.72Å; P719-L722 PolarHBondContact O-N 2.87Å; P719-L723 WeakPolarHBondContact O-CB 3.29Å; P719-L723 PolarHBondContact O-N 3.21Å |
| 720 | H | 87.6 | Confident | 86.2 | Confident | 117 Ų | 117 | 60.9 Ų | 60.9 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | -178.9 | 56.8 | -85.1 | 0 | 0 | 0 | 112.1 | K718 L722 L723 D724 | K718-H720 VanDerWaalsContact C-N 3.32Å; K718-H720 PolarHBondContact O-N 2.84Å; H720-L722 VanDerWaalsContact C-N 3.35Å; H720-L723 PolarHBondContact O-N 3.44Å; H720-D724 PolarHBondContact O-N 3.12Å; H720-D724 VanDerWaalsContact O-N 3.15Å |
| 721 | I | 86.1 | Confident | 86.4 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 177.4 | -52.3 | -170.7 | 0 | 0 | 0 | 109.8 | L713 K718 L723 D724 C725 | L713-I721 HydrophobicContact CD1-CG2 4.11Å; K718-I721 HydrophobicContact CB-CB 4.22Å; K718-I721 HydrophobicContact CB-CD1 3.93Å; K718-I721 HydrophobicContact CB-CG1 3.84Å; K718-I721 HydrophobicContact CD-CD1 3.44Å; K718-I721 VanDerWaalsContact CD-CD1 3.44Å; K718-I721 HydrophobicContact CD-CG1 4.16Å; K718-I721 HydrophobicContact CG-CD1 4.34Å; K718-I721 PolarHBondContact O-N 3.07Å; I721-L723 VanDerWaalsContact C-N 3.34Å; I721-L723 PolarHBondContact O-N 3.39Å; I721-D724 PolarHBondContact O-N 3.09Å; I721-C725 WeakPolarHBondContact O-CB 3.26Å; I721-C725 PolarHBondContact O-N 3.4Å; I721-C725 VanDerWaalsContact O-N 3.12Å; I721-C725 PolarHBondContact O-SG 2.84Å |
| 722 | L | 87.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 176.3 | 179.9 | 60.2 | 0 | 0 | 0 | 111 | C682 I685 I705 L709 L713 K718 P719 H720 D724 C725 V726 | C682-L722 HydrophobicContact CB-CD2 4.06Å; C682-L722 HydrophobicContact CB-CG 4.35Å; I685-L722 HydrophobicContact CB-CD2 3.96Å; I685-L722 HydrophobicContact CG2-CD2 3.77Å; I705-L722 HydrophobicContact CD1-CD1 4.25Å; L709-L722 HydrophobicContact CD2-CD1 3.85Å; L713-L722 HydrophobicContact CD2-CD1 4.18Å; K718-L722 PolarHBondContact O-N 3.45Å; K718-L722 VanDerWaalsContact O-N 3.12Å; P719-L722 PolarHBondContact O-N 2.87Å; H720-L722 VanDerWaalsContact C-N 3.35Å; L722-D724 PolarHBondContact O-N 2.93Å; L722-C725 PolarHBondContact O-N 3.02Å; L722-V726 HydrophobicContact CD1-CG2 4.45Å; L722-V726 WeakPolarHBondContact O-CG2 3.5Å; L722-V726 PolarHBondContact O-N 3.16Å |
| 723 | L | 88.6 | Confident | 87.1 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -40.6 | -178.9 | -174 | 63.5 | 0 | 0 | 0 | 112.9 | R678 P719 H720 I721 C725 V726 | R678-L723 HydrophobicContact CB-CD1 4.13Å; P719-L723 WeakPolarHBondContact O-CB 3.29Å; P719-L723 PolarHBondContact O-N 3.21Å; H720-L723 PolarHBondContact O-N 3.44Å; I721-L723 VanDerWaalsContact C-N 3.34Å; I721-L723 PolarHBondContact O-N 3.39Å; L723-C725 VanDerWaalsContact C-N 3.33Å; L723-V726 PolarHBondContact O-N 2.85Å |
| 724 | D | 87.9 | Confident | 87.4 | Confident | 118 Ų | 118 | 59.9 Ų | 59.9 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.3 | -35.6 | 178 | -72.8 | -21.6 | 0 | 0 | 0 | 112.3 | K710 H720 I721 L722 | K710-D724 PolarHBondContact NZ-O 3.14Å; H720-D724 PolarHBondContact O-N 3.12Å; H720-D724 VanDerWaalsContact O-N 3.15Å; I721-D724 PolarHBondContact O-N 3.09Å; L722-D724 PolarHBondContact O-N 2.93Å |
| 725 | C | 88.8 | Confident | 88 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -80 | -10.7 | -179.1 | -69.9 | 0 | 0 | 0 | 0 | 114.2 | L709 K710 L713 I721 L722 L723 | L709-C725 HydrophobicContact CD2-CB 4.42Å; K710-C725 WeakPolarHBondContact CB-O 3.4Å; K710-C725 PolarHBondContact N-O 3.47Å; L713-C725 HydrophobicContact CD1-CB 3.44Å; L713-C725 VanDerWaalsContact CD1-CB 3.44Å; L713-C725 WeakPolarHBondContact CD1-SG 3.13Å; I721-C725 WeakPolarHBondContact O-CB 3.26Å; I721-C725 PolarHBondContact O-N 3.4Å; I721-C725 VanDerWaalsContact O-N 3.12Å; I721-C725 PolarHBondContact O-SG 2.84Å; L722-C725 PolarHBondContact O-N 3.02Å; L723-C725 VanDerWaalsContact C-N 3.33Å |
| 726 | V | 90.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 145.3 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | L670 F708 L709 K710 L722 L723 | L670-V726 HydrophobicContact CB-CG1 3.98Å; L670-V726 HydrophobicContact CD2-CG2 3.99Å; L670-V726 WeakPolarHBondContact O-CG1 3.47Å; F708-V726 WeakPolarHBondContact O-CA 3.49Å; L709-V726 HydrophobicContact CD2-CG2 4.13Å; K710-V726 WeakPolarHBondContact CE-O 3.44Å; K710-V726 PolarHBondContact NZ-O 3.48Å; L722-V726 HydrophobicContact CD1-CG2 4.45Å; L722-V726 WeakPolarHBondContact O-CG2 3.5Å; L722-V726 PolarHBondContact O-N 3.16Å; L723-V726 PolarHBondContact O-N 2.85Å |
| 727 | H | 90.6 | Very high | 88.3 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -52 | 154.2 | 172.9 | -78.3 | -61 | 0 | 0 | 0 | 112.7 | R678 F708 L709 L791 | R678-H727 PolarHBondContact NH2-O 3.28Å; F708-H727 VanDerWaalsContact C-CD2 3.45Å; F708-H727 PolarHBondContact O-CD2 3.46Å; F708-H727 VanDerWaalsContact O-CD2 3.27Å; F708-H727 PolarHBondContact O-N 3.43Å; L709-H727 PolarHBondContact O-NE2 3.43Å; H727-L791 HydrophobicContact CB-CD2 4.35Å |
| 728 | P | 88.3 | Confident | 88.4 | Confident | 70 Ų | 70 | 47.3 Ų | 47.3 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -55.8 | 145.1 | 173.4 | 25.1 | -33.9 | 0 | 0 | 0 | 110.7 | L791 Q795 | P728-L791 HydrophobicContact CG-CD2 4.23Å; P728-Q795 PolarHBondContact O-NE2 2.84Å |
| 729 | P | 91.6 | Very high | 88.2 | Confident | 47 Ų | 47 | 45.4 Ų | 45.4 | 31% | 0.305 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -67.9 | 159.6 | -177.8 | 30.3 | -34.7 | 0 | 0 | 0 | 111.2 | H672 | H672-P729 WeakPolarHBondContact O-CB 3.45Š|
| 730 | V | 90.9 | Very high | 88 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 128.8 | 170.5 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | C671 P673 R732 I734 F735 I792 Q795 L796 | C671-V730 HydrophobicContact CB-CG2 4.4Å; C671-V730 PolarHBondContact O-N 2.61Å; P673-V730 WeakPolarHBondContact CB-O 3.5Å; V730-R732 PolarHBondContact O-N 3.44Å; V730-I734 HydrophobicContact CG1-CB 4.38Å; V730-I734 HydrophobicContact CG1-CG2 4.08Å; V730-F735 HydrophobicContact CG1-CB 4.17Å; V730-I792 HydrophobicContact CG1-CG2 4.09Å; V730-Q795 HydrophobicContact CG2-CB 3.75Å; V730-L796 HydrophobicContact CG1-CD2 4.21Å |
| 731 | P | 91.7 | Very high | 87.9 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 33% | 0.325 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -56.1 | 134.7 | 177 | -27.5 | 35.8 | 0 | 0 | 0 | 112 | Q733 I734 F735 I792 | P731-Q733 PolarHBondContact O-N 3.08Å; P731-I734 HydrophobicContact CB-CB 4.46Å; P731-I734 HydrophobicContact CB-CD1 4.18Å; P731-I734 HydrophobicContact CB-CG1 4.32Å; P731-I734 HydrophobicContact CG-CD1 4Å; P731-I734 PolarHBondContact O-N 2.99Å; P731-F735 PolarHBondContact O-N 2.94Å; P731-I792 HydrophobicContact CG-CD1 3.92Å |
| 732 | R | 89.9 | Confident | 87.5 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 42% | 0.423 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.5 | -39.2 | -175.7 | -175 | 63.4 | -177.5 | -137.1 | -1.3 | 113 | E635 P673 V730 I734 F735 D736 | E635-R732 IonicContact OE1-CZ 3.94Å; E635-R732 IonicContact OE1-NH1 2.68Å; E635-R732 PolarHBondContact OE1-NH1 3.37Å; E635-R732 IonicContact OE1-NH2 3.53Å; E635-R732 IonicContact OE2-CZ 3.99Å; E635-R732 IonicContact OE2-NH1 3.15Å; E635-R732 PolarHBondContact OE2-NH1 3.48Å; E635-R732 IonicContact OE2-NH2 3.99Å; P673-R732 HydrophobicContact CB-CB 4.31Å; V730-R732 PolarHBondContact O-N 3.44Å; R732-I734 PolarHBondContact O-N 3.37Å; R732-F735 PolarHBondContact O-N 2.76Å; R732-D736 IonicContact CZ-OD1 3.26Å; R732-D736 IonicContact NE-OD1 2.94Å; R732-D736 PolarHBondContact NE-OD1 3.07Å; R732-D736 IonicContact NE-OD2 3.11Å; R732-D736 PolarHBondContact NE-OD2 3.16Å; R732-D736 IonicContact NH2-OD1 3.9Å; R732-D736 WeakPolarHBondContact O-CB 3.44Å; R732-D736 VanDerWaalsContact O-CG 3.31Å; R732-D736 PolarHBondContact O-N 3.23Å |
| 733 | Q | 88.8 | Confident | 87.3 | Confident | 129 Ų | 129 | 58.1 Ų | 58.1 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61 | -43.7 | 178.9 | -63.2 | 178.6 | 2.8 | 0 | 0 | 112.2 | P731 S737 | P731-Q733 PolarHBondContact O-N 3.08Å; Q733-S737 VanDerWaalsContact O-CB 3.27Å; Q733-S737 WeakPolarHBondContact O-CB 3.47Å; Q733-S737 PolarHBondContact O-N 3.02Å; Q733-S737 PolarHBondContact O-OG 3.15Å |
| 734 | I | 88.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.3 | -47 | 176.7 | -68.9 | 177 | 0 | 0 | 0 | 109.9 | V730 P731 R732 S737 V738 L783 E786 L788 I792 L796 | V730-I734 HydrophobicContact CG1-CB 4.38Å; V730-I734 HydrophobicContact CG1-CG2 4.08Å; P731-I734 HydrophobicContact CB-CB 4.46Å; P731-I734 HydrophobicContact CB-CD1 4.18Å; P731-I734 HydrophobicContact CB-CG1 4.32Å; P731-I734 HydrophobicContact CG-CD1 4Å; P731-I734 PolarHBondContact O-N 2.99Å; R732-I734 PolarHBondContact O-N 3.37Å; I734-S737 PolarHBondContact O-N 3.31Å; I734-V738 VanDerWaalsContact O-CG2 3.3Å; I734-V738 WeakPolarHBondContact O-CG2 3.31Å; I734-V738 PolarHBondContact O-N 3.22Å; I734-L783 HydrophobicContact CB-CD2 4.33Å; I734-L783 HydrophobicContact CG1-CD2 4.29Å; I734-L783 HydrophobicContact CG2-CD2 4.09Å; I734-E786 HydrophobicContact CG1-CB 4Å; I734-L788 HydrophobicContact CD1-CB 4.35Å; I734-L788 HydrophobicContact CG2-CD1 4.41Å; I734-I792 HydrophobicContact CD1-CD1 4.11Å; I734-I792 HydrophobicContact CD1-CG2 4.29Å; I734-I792 HydrophobicContact CG2-CG2 4.11Å; I734-L796 HydrophobicContact CG2-CD1 4.12Å |
| 735 | F | 87.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | -180 | -174.1 | -100.4 | 0 | 0 | 0 | 112.3 | H672 P673 V730 P731 R732 S737 V738 L739 M799 F802 L803 M806 | H672-F735 AromaticContact NE2-CZ 3.84Å; P673-F735 HydrophobicContact CG-CB 4.05Å; P673-F735 HydrophobicContact CG-CD1 3.63Å; P673-F735 HydrophobicContact CG-CD2 4.18Å; P673-F735 HydrophobicContact CG-CE1 4.01Å; P673-F735 HydrophobicContact CG-CG 3.69Å; P673-F735 HydrophobicContact CG-CZ 4.46Å; V730-F735 HydrophobicContact CG1-CB 4.17Å; P731-F735 PolarHBondContact O-N 2.94Å; R732-F735 PolarHBondContact O-N 2.76Å; F735-S737 VanDerWaalsContact C-N 3.34Å; F735-S737 PolarHBondContact O-N 3.22Å; F735-V738 PolarHBondContact O-N 3.44Å; F735-L739 HydrophobicContact CD1-CD1 3.83Å; F735-L739 HydrophobicContact CE1-CD1 3.42Å; F735-L739 VanDerWaalsContact CE1-CD1 3.42Å; F735-L739 HydrophobicContact CE1-CG 4.37Å; F735-L739 HydrophobicContact CZ-CD1 3.9Å; F735-L739 WeakPolarHBondContact O-CG 3.46Å; F735-L739 PolarHBondContact O-N 3.02Å; F735-L739 VanDerWaalsContact O-N 3.09Å; F735-M799 HydrophobicContact CD2-CE 4.44Å; F735-M799 HydrophobicContact CE2-CE 3.61Å; F735-M799 HydrophobicContact CE2-SD 4.49Å; F735-M799 HydrophobicContact CZ-CE 4.37Å; F735-F802 HydrophobicContact CE2-CE1 4.35Å; F735-F802 HydrophobicContact CZ-CE1 4.01Å; F735-L803 HydrophobicContact CD2-CD2 4.45Å; F735-L803 HydrophobicContact CE2-CD2 3.87Å; F735-L803 HydrophobicContact CZ-CD2 4.49Å; F735-M806 HydrophobicContact CE1-CE 4.37Å; F735-M806 HydrophobicContact CZ-CE 3.89Å |
| 736 | D | 86.1 | Confident | 86.6 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 24% | 0.235 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -38.5 | 178.4 | -68.9 | -16.3 | 0 | 0 | 0 | 111.7 | R732 V738 L739 R740 | R732-D736 IonicContact CZ-OD1 3.26Å; R732-D736 IonicContact NE-OD1 2.94Å; R732-D736 PolarHBondContact NE-OD1 3.07Å; R732-D736 IonicContact NE-OD2 3.11Å; R732-D736 PolarHBondContact NE-OD2 3.16Å; R732-D736 IonicContact NH2-OD1 3.9Å; R732-D736 WeakPolarHBondContact O-CB 3.44Å; R732-D736 VanDerWaalsContact O-CG 3.31Å; R732-D736 PolarHBondContact O-N 3.23Å; D736-V738 VanDerWaalsContact C-N 3.35Å; D736-L739 PolarHBondContact O-N 2.9Å; D736-R740 VanDerWaalsContact O-CG 3.26Å; D736-R740 WeakPolarHBondContact O-CG 3.32Å; D736-R740 PolarHBondContact O-N 2.66Å; D736-R740 VanDerWaalsContact O-N 3.1Å |
| 737 | S | 85.2 | Confident | 86.4 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -38 | 176.1 | -72.3 | 0 | 0 | 0 | 0 | 112.4 | Q733 I734 F735 F741 E786 | Q733-S737 VanDerWaalsContact O-CB 3.27Å; Q733-S737 WeakPolarHBondContact O-CB 3.47Å; Q733-S737 PolarHBondContact O-N 3.02Å; Q733-S737 PolarHBondContact O-OG 3.15Å; I734-S737 PolarHBondContact O-N 3.31Å; F735-S737 VanDerWaalsContact C-N 3.34Å; F735-S737 PolarHBondContact O-N 3.22Å; S737-F741 PolarHBondContact O-N 2.68Å; S737-E786 PolarHBondContact OG-OE2 3.28Å |
| 738 | V | 85.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68 | -43.8 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | I734 F735 D736 R740 F741 I744 F747 L783 L796 L803 | I734-V738 VanDerWaalsContact O-CG2 3.3Å; I734-V738 WeakPolarHBondContact O-CG2 3.31Å; I734-V738 PolarHBondContact O-N 3.22Å; F735-V738 PolarHBondContact O-N 3.44Å; D736-V738 VanDerWaalsContact C-N 3.35Å; V738-R740 VanDerWaalsContact C-N 3.32Å; V738-R740 PolarHBondContact O-N 3.36Å; V738-F741 WeakPolarHBondContact O-CB 3.44Å; V738-F741 PolarHBondContact O-N 3.46Å; V738-I744 HydrophobicContact CG1-CD1 4.18Å; V738-F747 HydrophobicContact CB-CE1 4.33Å; V738-F747 HydrophobicContact CG1-CD1 4.02Å; V738-F747 HydrophobicContact CG1-CE1 3.7Å; V738-F747 HydrophobicContact CG2-CE1 3.63Å; V738-F747 HydrophobicContact CG2-CZ 3.75Å; V738-L783 HydrophobicContact CG2-CD1 4.27Å; V738-L796 HydrophobicContact CG2-CD1 4.32Å; V738-L796 HydrophobicContact CG2-CD2 4.4Å; V738-L803 HydrophobicContact CG1-CD1 4.29Å |
| 739 | L | 83.4 | Confident | 86 | Confident | 48 Ų | 48 | 58.9 Ų | 58.9 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 178.7 | -69.6 | 177 | 0 | 0 | 0 | 113.1 | F735 D736 F741 L803 M806 | F735-L739 HydrophobicContact CD1-CD1 3.83Å; F735-L739 HydrophobicContact CE1-CD1 3.42Å; F735-L739 VanDerWaalsContact CE1-CD1 3.42Å; F735-L739 HydrophobicContact CE1-CG 4.37Å; F735-L739 HydrophobicContact CZ-CD1 3.9Å; F735-L739 WeakPolarHBondContact O-CG 3.46Å; F735-L739 PolarHBondContact O-N 3.02Å; F735-L739 VanDerWaalsContact O-N 3.09Å; D736-L739 PolarHBondContact O-N 2.9Å; L739-F741 VanDerWaalsContact C-N 3.28Å; L739-F741 PolarHBondContact O-N 3.17Å; L739-L803 HydrophobicContact CD2-CD2 3.77Å; L739-L803 HydrophobicContact CG-CD2 4.48Å; L739-M806 HydrophobicContact CD1-CE 3.5Å; L739-M806 HydrophobicContact CD2-CE 3.39Å; L739-M806 HydrophobicContact CG-CE 4.08Å |
| 740 | R | 83.4 | Confident | 85.6 | Confident | 194 Ų | 194 | 57.4 Ų | 57.4 | 73% | 0.732 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.7 | 176.7 | -70.5 | 174.3 | -170.2 | -173.3 | 5.9 | 113.9 | D736 V738 | D736-R740 VanDerWaalsContact O-CG 3.26Å; D736-R740 WeakPolarHBondContact O-CG 3.32Å; D736-R740 PolarHBondContact O-N 2.66Å; D736-R740 VanDerWaalsContact O-N 3.1Å; V738-R740 VanDerWaalsContact C-N 3.32Å; V738-R740 PolarHBondContact O-N 3.36Å |
| 741 | F | 84.8 | Confident | 85.3 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | trans | -71.3 | 134.4 | -177.3 | -174.1 | -119.4 | 0 | 0 | 0 | 111.2 | S737 V738 L739 D743 F747 L776 L779 K807 | S737-F741 PolarHBondContact O-N 2.68Å; V738-F741 WeakPolarHBondContact O-CB 3.44Å; V738-F741 PolarHBondContact O-N 3.46Å; L739-F741 VanDerWaalsContact C-N 3.28Å; L739-F741 PolarHBondContact O-N 3.17Å; F741-D743 VanDerWaalsContact CD1-O 3.22Å; F741-D743 WeakPolarHBondContact CD1-O 3.28Å; F741-D743 HydrophobicContact CE1-CB 4.26Å; F741-D743 WeakPolarHBondContact CE1-O 3.41Å; F741-D743 PolarHBondContact O-N 3.35Å; F741-F747 HydrophobicContact CD1-CB 3.88Å; F741-F747 HydrophobicContact CE1-CB 3.91Å; F741-L776 HydrophobicContact CE1-CD2 3.86Å; F741-L776 HydrophobicContact CZ-CD2 3.87Å; F741-L776 HydrophobicContact CZ-CG 4.28Å; F741-L779 HydrophobicContact CB-CD2 4.16Å; F741-L779 HydrophobicContact CD1-CD2 3.89Å; F741-L779 HydrophobicContact CD2-CD1 4.49Å; F741-L779 HydrophobicContact CD2-CD2 3.73Å; F741-L779 HydrophobicContact CD2-CG 4.5Å; F741-L779 HydrophobicContact CE1-CD2 4.16Å; F741-L779 HydrophobicContact CE2-CB 4.45Å; F741-L779 HydrophobicContact CE2-CD2 4.03Å; F741-L779 HydrophobicContact CG-CD2 3.66Å; F741-L779 HydrophobicContact CZ-CD2 4.24Å; F741-K807 WeakPolarHBondContact O-CE 3.24Å; F741-K807 PolarHBondContact O-NZ 3.2Å | ||
| 742 | Q | 77.7 | Confident | 85 | Confident | 184 Ų | 184 | 58.3 Ų | 58.3 | 86% | 0.86 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -72.3 | -26 | -171.6 | -74 | -171.6 | -6.1 | 0 | 0 | 115.6 | K807 | Q742-K807 WeakPolarHBondContact O-CE 3.32Å; Q742-K807 PolarHBondContact O-NZ 2.83Å |
| 743 | D | 82.6 | Confident | 84.7 | Confident | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | trans | -123.8 | 85.2 | 178.3 | -169.8 | -15.4 | 0 | 0 | 0 | 111.5 | F741 H745 H746 F747 | F741-D743 VanDerWaalsContact CD1-O 3.22Å; F741-D743 WeakPolarHBondContact CD1-O 3.28Å; F741-D743 HydrophobicContact CE1-CB 4.26Å; F741-D743 WeakPolarHBondContact CE1-O 3.41Å; F741-D743 PolarHBondContact O-N 3.35Å; D743-H745 VanDerWaalsContact C-N 3.31Å; D743-H745 PolarHBondContact O-N 2.71Å; D743-H745 PolarHBondContact OD1-N 2.81Å; D743-H746 HydrophobicContact CB-CB 4.11Å; D743-H746 PolarHBondContact O-N 3.49Å; D743-H746 WeakPolarHBondContact OD1-CB 3.43Å; D743-H746 PolarHBondContact OD1-N 2.91Å; D743-H746 VanDerWaalsContact OD2-CB 3.32Å; D743-H746 WeakPolarHBondContact OD2-CB 3.49Å; D743-F747 PolarHBondContact O-N 2.94Å; D743-F747 VanDerWaalsContact O-N 3.16Å | ||
| 744 | I | 84.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -73.3 | -30.1 | -173.7 | -155.5 | 160.1 | 0 | 0 | 0 | 110.8 | V738 H746 F747 I748 L803 I804 K807 | V738-I744 HydrophobicContact CG1-CD1 4.18Å; I744-H746 VanDerWaalsContact C-N 3.33Å; I744-H746 PolarHBondContact O-N 3.41Å; I744-F747 PolarHBondContact O-N 3.49Å; I744-I748 HydrophobicContact CG1-CD1 4.02Å; I744-I748 HydrophobicContact CG2-CD1 4.5Å; I744-I748 WeakPolarHBondContact O-CB 3.47Å; I744-I748 WeakPolarHBondContact O-CD1 3.34Å; I744-I748 VanDerWaalsContact O-CG1 3.3Å; I744-I748 WeakPolarHBondContact O-CG1 3.34Å; I744-I748 PolarHBondContact O-N 2.72Å; I744-L803 HydrophobicContact CD1-CB 3.86Å; I744-I804 HydrophobicContact CG2-CG1 4.11Å; I744-K807 HydrophobicContact CB-CD 3.67Å; I744-K807 HydrophobicContact CD1-CD 4.13Å; I744-K807 HydrophobicContact CG2-CD 3.58Å |
| 745 | H | 83.8 | Confident | 84.2 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 36% | 0.361 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 176.5 | -66 | -75 | 0 | 0 | 0 | 111.6 | D743 R749 H808 | D743-H745 VanDerWaalsContact C-N 3.31Å; D743-H745 PolarHBondContact O-N 2.71Å; D743-H745 PolarHBondContact OD1-N 2.81Å; H745-R749 WeakPolarHBondContact O-CB 3.39Å; H745-R749 WeakPolarHBondContact O-CG 3.35Å; H745-R749 PolarHBondContact O-N 2.84Å; H745-R749 VanDerWaalsContact O-N 3.09Å; H745-R749 PolarHBondContact O-NE 2.81Å; H745-H808 AromaticContact NE2-NE2 3.63Å |
| 746 | H | 84.3 | Confident | 83.9 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 37% | 0.366 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.5 | -36.3 | 175.2 | -162.1 | 48.3 | 0 | 0 | 0 | 111.8 | D743 I744 A750 L776 | D743-H746 HydrophobicContact CB-CB 4.11Å; D743-H746 PolarHBondContact O-N 3.49Å; D743-H746 WeakPolarHBondContact OD1-CB 3.43Å; D743-H746 PolarHBondContact OD1-N 2.91Å; D743-H746 VanDerWaalsContact OD2-CB 3.32Å; D743-H746 WeakPolarHBondContact OD2-CB 3.49Å; I744-H746 VanDerWaalsContact C-N 3.33Å; I744-H746 PolarHBondContact O-N 3.41Å; H746-A750 WeakPolarHBondContact O-CB 3.21Å; H746-A750 PolarHBondContact O-N 2.81Å; H746-L776 WeakPolarHBondContact CD2-CD1 3.27Å; H746-L776 VanDerWaalsContact NE2-CD1 3.3Å; H746-L776 WeakPolarHBondContact NE2-CD1 3.46Å |
| 747 | F | 85.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 172.1 | 176 | -110.4 | 0 | 0 | 0 | 112.8 | V738 F741 D743 I744 A750 L751 L776 L779 F780 L783 L796 | V738-F747 HydrophobicContact CB-CE1 4.33Å; V738-F747 HydrophobicContact CG1-CD1 4.02Å; V738-F747 HydrophobicContact CG1-CE1 3.7Å; V738-F747 HydrophobicContact CG2-CE1 3.63Å; V738-F747 HydrophobicContact CG2-CZ 3.75Å; F741-F747 HydrophobicContact CD1-CB 3.88Å; F741-F747 HydrophobicContact CE1-CB 3.91Å; D743-F747 PolarHBondContact O-N 2.94Å; D743-F747 VanDerWaalsContact O-N 3.16Å; I744-F747 PolarHBondContact O-N 3.49Å; F747-A750 WeakPolarHBondContact O-CB 3.46Å; F747-A750 PolarHBondContact O-N 2.85Å; F747-L751 HydrophobicContact CD1-CD1 4.1Å; F747-L751 HydrophobicContact CE1-CD1 3.47Å; F747-L751 VanDerWaalsContact CE1-CD1 3.47Å; F747-L751 HydrophobicContact CE1-CG 4.24Å; F747-L751 HydrophobicContact CE2-CD1 4.34Å; F747-L751 HydrophobicContact CE2-CG 4.3Å; F747-L751 HydrophobicContact CZ-CD1 3.62Å; F747-L751 HydrophobicContact CZ-CD2 4.34Å; F747-L751 HydrophobicContact CZ-CG 4.04Å; F747-L751 PolarHBondContact O-N 2.72Å; F747-L776 HydrophobicContact CB-CD2 4.13Å; F747-L776 HydrophobicContact CD2-CD2 4.19Å; F747-L779 HydrophobicContact CD2-CD2 3.55Å; F747-L779 HydrophobicContact CE2-CD2 3.85Å; F747-L779 HydrophobicContact CG-CD2 4.22Å; F747-F780 HydrophobicContact CD2-CE2 4.16Å; F747-F780 HydrophobicContact CD2-CZ 4.01Å; F747-F780 AromaticContact CE2-CE1 3.96Å; F747-F780 HydrophobicContact CE2-CE1 3.96Å; F747-F780 HydrophobicContact CE2-CE2 4.19Å; F747-F780 AromaticContact CE2-CZ 3.7Å; F747-F780 HydrophobicContact CE2-CZ 3.7Å; F747-L783 HydrophobicContact CE2-CD1 3.74Å; F747-L783 HydrophobicContact CZ-CD1 3.79Å; F747-L796 HydrophobicContact CZ-CD1 4.35Å |
| 748 | I | 85.5 | Confident | 83.4 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 178.3 | -71.6 | 157.2 | 0 | 0 | 0 | 111 | I744 A750 L751 E752 L797 N800 I804 | I744-I748 HydrophobicContact CG1-CD1 4.02Å; I744-I748 HydrophobicContact CG2-CD1 4.5Å; I744-I748 WeakPolarHBondContact O-CB 3.47Å; I744-I748 WeakPolarHBondContact O-CD1 3.34Å; I744-I748 VanDerWaalsContact O-CG1 3.3Å; I744-I748 WeakPolarHBondContact O-CG1 3.34Å; I744-I748 PolarHBondContact O-N 2.72Å; I748-A750 VanDerWaalsContact C-N 3.26Å; I748-A750 PolarHBondContact O-N 2.82Å; I748-L751 WeakPolarHBondContact O-CB 3.35Å; I748-L751 PolarHBondContact O-N 2.94Å; I748-L751 VanDerWaalsContact O-N 3.08Å; I748-E752 HydrophobicContact CG2-CG 4.41Å; I748-E752 WeakPolarHBondContact O-CG 3.36Å; I748-E752 PolarHBondContact O-N 3.12Å; I748-L797 HydrophobicContact CG2-CD2 4.46Å; I748-N800 HydrophobicContact CD1-CB 4.44Å; I748-N800 WeakPolarHBondContact CD1-OD1 3.42Å; I748-N800 HydrophobicContact CG2-CB 4.37Å; I748-I804 HydrophobicContact CD1-CD1 3.88Å; I748-I804 HydrophobicContact CD1-CG1 3.65Å |
| 749 | R | 84.8 | Confident | 82.9 | Confident | 147 Ų | 147 | 66.4 Ų | 66.4 | 56% | 0.555 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.7 | -38.3 | 174.9 | -79.9 | -175.3 | -79.5 | 178.2 | -5.5 | 112.4 | H745 E752 A753 | H745-R749 WeakPolarHBondContact O-CB 3.39Å; H745-R749 WeakPolarHBondContact O-CG 3.35Å; H745-R749 PolarHBondContact O-N 2.84Å; H745-R749 VanDerWaalsContact O-N 3.09Å; H745-R749 PolarHBondContact O-NE 2.81Å; R749-E752 PolarHBondContact O-N 3.01Å; R749-A753 WeakPolarHBondContact O-CB 3.22Å; R749-A753 PolarHBondContact O-N 3.31Å |
| 750 | A | 84.4 | Confident | 82.5 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 13% | 0.132 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H746 F747 I748 A753 R754 L776 F780 | H746-A750 WeakPolarHBondContact O-CB 3.21Å; H746-A750 PolarHBondContact O-N 2.81Å; F747-A750 WeakPolarHBondContact O-CB 3.46Å; F747-A750 PolarHBondContact O-N 2.85Å; I748-A750 VanDerWaalsContact C-N 3.26Å; I748-A750 PolarHBondContact O-N 2.82Å; A750-A753 PolarHBondContact O-N 3.25Å; A750-R754 WeakPolarHBondContact O-CB 3.14Å; A750-R754 WeakPolarHBondContact O-CG 3.3Å; A750-R754 PolarHBondContact O-N 3.05Å; A750-L776 HydrophobicContact CB-CD1 4.23Å; A750-F780 HydrophobicContact CB-CE2 3.93Å; A750-F780 HydrophobicContact CB-CZ 4.2Å |
| 751 | L | 84.8 | Confident | 82 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 173.4 | -72.9 | 177.5 | 0 | 0 | 0 | 112.3 | F747 I748 R754 S755 F780 E793 L796 L797 | F747-L751 HydrophobicContact CD1-CD1 4.1Å; F747-L751 HydrophobicContact CE1-CD1 3.47Å; F747-L751 VanDerWaalsContact CE1-CD1 3.47Å; F747-L751 HydrophobicContact CE1-CG 4.24Å; F747-L751 HydrophobicContact CE2-CD1 4.34Å; F747-L751 HydrophobicContact CE2-CG 4.3Å; F747-L751 HydrophobicContact CZ-CD1 3.62Å; F747-L751 HydrophobicContact CZ-CD2 4.34Å; F747-L751 HydrophobicContact CZ-CG 4.04Å; F747-L751 PolarHBondContact O-N 2.72Å; I748-L751 WeakPolarHBondContact O-CB 3.35Å; I748-L751 PolarHBondContact O-N 2.94Å; I748-L751 VanDerWaalsContact O-N 3.08Å; L751-R754 PolarHBondContact O-N 3.39Å; L751-S755 WeakPolarHBondContact O-CB 3.49Å; L751-S755 PolarHBondContact O-N 2.8Å; L751-F780 HydrophobicContact CD2-CE1 3.78Å; L751-F780 HydrophobicContact CD2-CZ 3.92Å; L751-F780 HydrophobicContact CG-CZ 4.27Å; L751-E793 HydrophobicContact CD2-CB 4.03Å; L751-E793 HydrophobicContact CD2-CG 3.68Å; L751-L796 HydrophobicContact CD1-CB 4.02Å; L751-L796 HydrophobicContact CD1-CD1 4.46Å; L751-L797 HydrophobicContact CB-CD1 4.29Å; L751-L797 HydrophobicContact CB-CD2 3.6Å; L751-L797 HydrophobicContact CB-CG 3.93Å; L751-L797 HydrophobicContact CD1-CG 4.49Å |
| 752 | E | 85 | Confident | 80.7 | Confident | 67 Ų | 67 | 73.4 Ų | 73.4 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.7 | -73.7 | 178.7 | 179.6 | 0 | 0 | 111.5 | I748 R749 R754 S755 R756 L797 | I748-E752 HydrophobicContact CG2-CG 4.41Å; I748-E752 WeakPolarHBondContact O-CG 3.36Å; I748-E752 PolarHBondContact O-N 3.12Å; R749-E752 PolarHBondContact O-N 3.01Å; E752-R754 VanDerWaalsContact C-N 3.34Å; E752-R754 PolarHBondContact O-N 3.34Å; E752-S755 PolarHBondContact O-N 3.41Å; E752-R756 WeakPolarHBondContact O-CG 3.44Å; E752-R756 PolarHBondContact O-N 3.41Å; E752-L797 HydrophobicContact CG-CD2 3.67Å |
| 753 | A | 83.6 | Confident | 79.7 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R749 A750 S755 R756 V757 | R749-A753 WeakPolarHBondContact O-CB 3.22Å; R749-A753 PolarHBondContact O-N 3.31Å; A750-A753 PolarHBondContact O-N 3.25Å; A753-S755 VanDerWaalsContact C-N 3.33Å; A753-S755 PolarHBondContact O-N 2.83Å; A753-R756 PolarHBondContact O-N 3.26Å; A753-V757 VanDerWaalsContact O-CG2 3.32Å; A753-V757 WeakPolarHBondContact O-CG2 3.31Å; A753-V757 PolarHBondContact O-N 3.46Å |
| 754 | R | 83.1 | Confident | 78.5 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.3 | -70.1 | 170.3 | 63.8 | 73.3 | -0.8 | 112.2 | A750 L751 E752 R758 Y769 E793 | A750-R754 WeakPolarHBondContact O-CB 3.14Å; A750-R754 WeakPolarHBondContact O-CG 3.3Å; A750-R754 PolarHBondContact O-N 3.05Å; L751-R754 PolarHBondContact O-N 3.39Å; E752-R754 VanDerWaalsContact C-N 3.34Å; E752-R754 PolarHBondContact O-N 3.34Å; R754-R758 WeakPolarHBondContact O-CG 3.37Å; R754-R758 PolarHBondContact O-N 3.44Å; R754-Y769 HydrophobicContact CB-CD1 4Å; R754-Y769 HydrophobicContact CB-CE1 3.65Å; R754-Y769 HydrophobicContact CG-CD1 3.55Å; R754-Y769 HydrophobicContact CG-CE1 3.64Å; R754-Y769 HydrophobicContact CG-CG 4.28Å; R754-Y769 VanDerWaalsContact NH1-CD2 3.29Å; R754-E793 IonicContact CZ-OE1 2.81Å; R754-E793 IonicContact NE-OE1 3.11Å; R754-E793 PolarHBondContact NE-OE1 2.8Å; R754-E793 VanDerWaalsContact NE-OE1 3.13Å; R754-E793 IonicContact NE-OE2 3.73Å; R754-E793 PolarHBondContact NE-OE2 2.82Å; R754-E793 IonicContact NH2-OE1 2.73Å; R754-E793 PolarHBondContact NH2-OE1 2.98Å; R754-E793 IonicContact NH2-OE2 3.67Å |
| 755 | S | 82.4 | Confident | 77.3 | Confident | 47 Ų | 47 | 78.3 Ų | 78.3 | 33% | 0.329 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177.1 | -167.5 | 0 | 0 | 0 | 0 | 112.3 | L751 E752 A753 R758 S759 | L751-S755 WeakPolarHBondContact O-CB 3.49Å; L751-S755 PolarHBondContact O-N 2.8Å; E752-S755 PolarHBondContact O-N 3.41Å; A753-S755 VanDerWaalsContact C-N 3.33Å; A753-S755 PolarHBondContact O-N 2.83Å; S755-R758 PolarHBondContact O-N 2.82Å; S755-S759 PolarHBondContact O-N 3.44Å |
| 756 | R | 81.6 | Confident | 76.2 | Confident | 162 Ų | 162 | 82.4 Ų | 82.4 | 61% | 0.611 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.2 | -47.9 | 175.7 | -73.4 | 176.7 | -171.3 | -168.7 | 4.8 | 111.4 | E752 A753 R758 S759 Q760 | E752-R756 WeakPolarHBondContact O-CG 3.44Å; E752-R756 PolarHBondContact O-N 3.41Å; A753-R756 PolarHBondContact O-N 3.26Å; R756-R758 VanDerWaalsContact C-N 3.32Å; R756-R758 PolarHBondContact O-N 2.88Å; R756-S759 PolarHBondContact O-N 3.08Å; R756-S759 VanDerWaalsContact O-N 3.16Å; R756-S759 PolarHBondContact O-OG 3.19Å; R756-Q760 WeakPolarHBondContact O-CG 3.46Å; R756-Q760 PolarHBondContact O-N 3.08Å; R756-Q760 VanDerWaalsContact O-N 3.09Å |
| 757 | V | 81.3 | Confident | 75.3 | Confident | 37 Ų | 37 | 80.5 Ų | 80.5 | 22% | 0.224 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | A753 S759 Q760 T761 P767 Q768 Y769 | A753-V757 VanDerWaalsContact O-CG2 3.32Å; A753-V757 WeakPolarHBondContact O-CG2 3.31Å; A753-V757 PolarHBondContact O-N 3.46Å; V757-S759 PolarHBondContact O-N 2.88Å; V757-Q760 PolarHBondContact O-N 3.2Å; V757-T761 WeakPolarHBondContact O-CB 3.2Å; V757-T761 PolarHBondContact O-N 2.73Å; V757-T761 PolarHBondContact O-OG1 2.79Å; V757-P767 HydrophobicContact CG1-CB 3.66Å; V757-Q768 WeakPolarHBondContact CG1-O 3Å; V757-Y769 HydrophobicContact CB-CD1 4.47Å; V757-Y769 HydrophobicContact CB-CE1 4.46Å; V757-Y769 HydrophobicContact CG1-CD1 4.46Å; V757-Y769 HydrophobicContact CG1-CE1 4.45Å |
| 758 | R | 79.6 | Confident | 74.3 | Confident | 52 Ų | 52 | 89 Ų | 89 | 20% | 0.196 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -59.5 | -43 | 176.3 | -76.6 | -171.9 | -66.2 | -113.8 | -8.5 | 112.9 | R754 S755 R756 Q760 T761 P767 D790 E793 | R754-R758 WeakPolarHBondContact O-CG 3.37Å; R754-R758 PolarHBondContact O-N 3.44Å; S755-R758 PolarHBondContact O-N 2.82Å; R756-R758 VanDerWaalsContact C-N 3.32Å; R756-R758 PolarHBondContact O-N 2.88Å; R758-Q760 PolarHBondContact O-N 3.31Å; R758-T761 PolarHBondContact O-N 2.89Å; R758-P767 HydrophobicContact CG-CB 4.5Å; R758-P767 HydrophobicContact CG-CG 4.41Å; R758-D790 WeakPolarHBondContact CD-OD1 3.46Å; R758-D790 IonicContact CZ-OD1 3.27Å; R758-D790 IonicContact NE-OD1 2.8Å; R758-D790 IonicContact NH1-OD1 3.4Å; R758-D790 PolarHBondContact NH1-OD1 3.34Å; R758-E793 IonicContact CZ-OE2 3.02Å; R758-E793 VanDerWaalsContact NH1-CD 3.28Å; R758-E793 IonicContact NH1-OE1 2.72Å; R758-E793 IonicContact NH1-OE2 2.85Å; R758-E793 PolarHBondContact NH1-OE2 2.79Å; R758-E793 IonicContact NH2-OE2 2.64Å; R758-E793 PolarHBondContact NH2-OE2 3.17Å |
| 759 | S | 75.6 | Confident | 73.7 | Confident | 95 Ų | 95 | 92.6 Ų | 92.6 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.1 | -25.4 | 179.2 | 70.6 | 0 | 0 | 0 | 0 | 114 | S755 R756 V757 | S755-S759 PolarHBondContact O-N 3.44Å; R756-S759 PolarHBondContact O-N 3.08Å; R756-S759 VanDerWaalsContact O-N 3.16Å; R756-S759 PolarHBondContact O-OG 3.19Å; V757-S759 PolarHBondContact O-N 2.88Å |
| 760 | Q | 75.8 | Confident | 72.8 | Confident | 157 Ų | 157 | 93.5 Ų | 93.5 | 73% | 0.734 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -95.9 | -14.4 | -179.4 | -67.4 | 174.6 | 0.3 | 0 | 0 | 112.9 | R756 V757 R758 | R756-Q760 WeakPolarHBondContact O-CG 3.46Å; R756-Q760 PolarHBondContact O-N 3.08Å; R756-Q760 VanDerWaalsContact O-N 3.09Å; V757-Q760 PolarHBondContact O-N 3.2Å; R758-Q760 PolarHBondContact O-N 3.31Å |
| 761 | T | 71.4 | Confident | 71.6 | Confident | 43 Ų | 43 | 101 Ų | 101 | 26% | 0.264 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -80.5 | 124.7 | -179.2 | -56 | 0 | 0 | 0 | 0 | 109.6 | V757 R758 A765 | V757-T761 WeakPolarHBondContact O-CB 3.2Å; V757-T761 PolarHBondContact O-N 2.73Å; V757-T761 PolarHBondContact O-OG1 2.79Å; R758-T761 PolarHBondContact O-N 2.89Å; T761-A765 HydrophobicContact CG2-CB 3.69Å; T761-A765 WeakPolarHBondContact CG2-O 3.47Å |
| 762 | R | 58.3 | Low | 71.1 | Confident | 223 Ų | 223 | 102.8 Ų | 102.8 | 84% | 0.842 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 142.4 | 176.2 | -75.1 | -177.6 | 175.8 | -177.6 | -1.3 | 110.5 | G764 A765 | R762-G764 PolarHBondContact O-N 3.11Å; R762-A765 PolarHBondContact O-N 3.24Å; R762-A765 VanDerWaalsContact O-N 3.07Å |
| 763 | Q | 55.9 | Low | 70.5 | Confident | 208 Ų | 208 | 101.2 Ų | 101.2 | 97% | 0.972 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 116.2 | 176.3 | -79.2 | -177.9 | -14.6 | 0 | 0 | 110.5 | ||
| 764 | G | 57.6 | Low | 70.2 | Confident | 92 Ų | 92 | 106.9 Ų | 106.9 | 95% | 0.948 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.1 | -6.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | R762 | R762-G764 PolarHBondContact O-N 3.11Š|
| 765 | A | 58.6 | Low | 70.1 | Confident | 58 Ų | 58 | 109.9 Ų | 109.9 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -94.1 | 143 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T761 R762 P767 | T761-A765 HydrophobicContact CG2-CB 3.69Å; T761-A765 WeakPolarHBondContact CG2-O 3.47Å; R762-A765 PolarHBondContact O-N 3.24Å; R762-A765 VanDerWaalsContact O-N 3.07Å; A765-P767 WeakPolarHBondContact O-CD 3.38Å |
| 766 | L | 60.7 | Low | 70.1 | Confident | 165 Ų | 165 | 107.8 Ų | 107.8 | 86% | 0.864 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 123.1 | 176.2 | -80.8 | 158 | 0 | 0 | 0 | 110.1 | Q768 | L766-Q768 PolarHBondContact O-N 2.78Š|
| 767 | P | 65.5 | Low | 70 | Confident | 39 Ų | 39 | 104.8 Ų | 104.8 | 25% | 0.253 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 128.8 | 178.1 | 24.5 | -31.4 | 0 | 0 | 0 | 111.1 | V757 R758 A765 Y769 | V757-P767 HydrophobicContact CG1-CB 3.66Å; R758-P767 HydrophobicContact CG-CB 4.5Å; R758-P767 HydrophobicContact CG-CG 4.41Å; A765-P767 WeakPolarHBondContact O-CD 3.38Å; P767-Y769 HydrophobicContact CB-CE1 4.16Å; P767-Y769 HydrophobicContact CB-CE2 4.39Å; P767-Y769 HydrophobicContact CG-CE1 4.49Å; P767-Y769 HydrophobicContact CG-CE2 4.15Å; P767-Y769 WeakPolarHBondContact CG-OH 3.38Å |
| 768 | Q | 65.3 | Low | 70.1 | Confident | 177 Ų | 177 | 107.2 Ų | 107.2 | 83% | 0.827 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 120.7 | 173.1 | -73.4 | -177.8 | -3.6 | 0 | 0 | 109.8 | V757 L766 | V757-Q768 WeakPolarHBondContact CG1-O 3Å; L766-Q768 PolarHBondContact O-N 2.78Å |
| 769 | Y | 72.6 | Confident | 70.3 | Confident | 82 Ų | 82 | 105.6 Ų | 105.6 | 32% | 0.322 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -98.5 | 145.3 | -179.7 | -55.5 | -68.4 | 0 | 0 | 0 | 111 | R754 V757 P767 | R754-Y769 HydrophobicContact CB-CD1 4Å; R754-Y769 HydrophobicContact CB-CE1 3.65Å; R754-Y769 HydrophobicContact CG-CD1 3.55Å; R754-Y769 HydrophobicContact CG-CE1 3.64Å; R754-Y769 HydrophobicContact CG-CG 4.28Å; R754-Y769 VanDerWaalsContact NH1-CD2 3.29Å; V757-Y769 HydrophobicContact CB-CD1 4.47Å; V757-Y769 HydrophobicContact CB-CE1 4.46Å; V757-Y769 HydrophobicContact CG1-CD1 4.46Å; V757-Y769 HydrophobicContact CG1-CE1 4.45Å; P767-Y769 HydrophobicContact CB-CE1 4.16Å; P767-Y769 HydrophobicContact CB-CE2 4.39Å; P767-Y769 HydrophobicContact CG-CE1 4.49Å; P767-Y769 HydrophobicContact CG-CE2 4.15Å; P767-Y769 WeakPolarHBondContact CG-OH 3.38Å |
| 770 | E | 65.2 | Low | 70.7 | Confident | 167 Ų | 167 | 101.7 Ų | 101.7 | 78% | 0.78 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 153.3 | 174.9 | -70.4 | -178.5 | 159.5 | 0 | 0 | 112.4 | M772 | E770-M772 PolarHBondContact O-N 2.79Å; E770-M772 VanDerWaalsContact O-N 3.12Å |
| 771 | E | 60.6 | Low | 71.1 | Confident | 173 Ų | 173 | 102.6 Ų | 102.6 | 81% | 0.808 | 52% | 0.521 | S | S | * | . | trans | -63 | 114.2 | 176.2 | -77 | -156 | 120.5 | 0 | 0 | 111.4 | R777 | E771-R777 IonicContact OE1-NH2 2.77Š| ||
| 772 | M | 73.3 | Confident | 71.7 | Confident | 39 Ų | 39 | 106.9 Ų | 106.9 | 19% | 0.192 | 53% | 0.532 | C | S | . | . | trans | -90.6 | 151.1 | 179.8 | 17.4 | 172.8 | 78.3 | 0 | 0 | 111.7 | E770 L776 R777 F780 | E770-M772 PolarHBondContact O-N 2.79Å; E770-M772 VanDerWaalsContact O-N 3.12Å; M772-L776 HydrophobicContact CB-CB 4.26Å; M772-R777 HydrophobicContact CB-CG 4.21Å; M772-R777 HydrophobicContact CG-CG 3.65Å; M772-R777 PolarHBondContact O-NE 3.45Å; M772-R777 PolarHBondContact O-NH2 2.79Å; M772-R777 HydrophobicContact SD-CG 3.84Å; M772-F780 HydrophobicContact CE-CD2 3.72Å; M772-F780 HydrophobicContact CE-CE2 3.74Å; M772-F780 HydrophobicContact CE-CG 4.48Å; M772-F780 HydrophobicContact SD-CD2 3.85Å; M772-F780 HydrophobicContact SD-CE2 4.44Å | ||
| 773 | G | 73.6 | Confident | 73 | Confident | 35 Ų | 35 | 96.2 Ų | 96.2 | 36% | 0.361 | 49% | 0.492 | S | S | . | . | trans | -57.3 | 155.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T775 L776 R777 | G773-T775 VanDerWaalsContact C-N 3.28Å; G773-T775 PolarHBondContact O-N 2.46Å; G773-L776 PolarHBondContact O-N 3.4Å; G773-R777 PolarHBondContact O-N 3.03Å | ||
| 774 | Q | 76.4 | Confident | 74.5 | Confident | 158 Ų | 158 | 89.7 Ų | 89.7 | 74% | 0.738 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.5 | -33.9 | -173.1 | -163.4 | 164.6 | 7.1 | 0 | 0 | 113.2 | N778 | Q774-N778 WeakPolarHBondContact O-CB 3.47Å; Q774-N778 PolarHBondContact O-N 2.89Å; Q774-N778 PolarHBondContact O-ND2 3.29Å |
| 775 | T | 80.7 | Confident | 75.8 | Confident | 98 Ų | 98 | 90 Ų | 90 | 60% | 0.601 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.4 | -47 | 175 | 43.2 | 0 | 0 | 0 | 0 | 112.7 | G773 N778 L779 | G773-T775 VanDerWaalsContact C-N 3.28Å; G773-T775 PolarHBondContact O-N 2.46Å; T775-N778 PolarHBondContact O-N 3.03Å; T775-L779 PolarHBondContact O-N 3.47Å; T775-L779 VanDerWaalsContact O-N 3.1Å |
| 776 | L | 82.1 | Confident | 77.1 | Confident | 3 Ų | 3 | 89.1 Ų | 89.1 | 2% | 0.016 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 174.8 | -84.9 | 175.2 | 0 | 0 | 0 | 112 | F741 H746 F747 A750 M772 G773 N778 L779 F780 | F741-L776 HydrophobicContact CE1-CD2 3.86Å; F741-L776 HydrophobicContact CZ-CD2 3.87Å; F741-L776 HydrophobicContact CZ-CG 4.28Å; H746-L776 WeakPolarHBondContact CD2-CD1 3.27Å; H746-L776 VanDerWaalsContact NE2-CD1 3.3Å; H746-L776 WeakPolarHBondContact NE2-CD1 3.46Å; F747-L776 HydrophobicContact CB-CD2 4.13Å; F747-L776 HydrophobicContact CD2-CD2 4.19Å; A750-L776 HydrophobicContact CB-CD1 4.23Å; M772-L776 HydrophobicContact CB-CB 4.26Å; G773-L776 PolarHBondContact O-N 3.4Å; L776-N778 VanDerWaalsContact C-N 3.29Å; L776-N778 PolarHBondContact O-N 2.71Å; L776-L779 PolarHBondContact O-N 3.37Å; L776-F780 HydrophobicContact CD2-CE2 4.28Å; L776-F780 WeakPolarHBondContact O-CD2 3.37Å; L776-F780 PolarHBondContact O-N 3.49Å |
| 777 | R | 80.9 | Confident | 78.2 | Confident | 99 Ų | 99 | 83.2 Ų | 83.2 | 37% | 0.374 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 175.8 | -89.8 | -171.2 | -106.3 | -157.3 | -7.8 | 111.8 | E771 M772 G773 R781 | E771-R777 IonicContact OE1-NH2 2.77Å; M772-R777 HydrophobicContact CB-CG 4.21Å; M772-R777 HydrophobicContact CG-CG 3.65Å; M772-R777 PolarHBondContact O-NE 3.45Å; M772-R777 PolarHBondContact O-NH2 2.79Å; M772-R777 HydrophobicContact SD-CG 3.84Å; G773-R777 PolarHBondContact O-N 3.03Å; R777-R781 WeakPolarHBondContact O-CG 3.37Å; R777-R781 PolarHBondContact O-N 2.77Å |
| 778 | N | 82.9 | Confident | 79.2 | Confident | 88 Ų | 88 | 82.3 Ų | 82.3 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 177.8 | -70.9 | -13.9 | 0 | 0 | 0 | 111.9 | Q774 T775 L776 R782 | Q774-N778 WeakPolarHBondContact O-CB 3.47Å; Q774-N778 PolarHBondContact O-N 2.89Å; Q774-N778 PolarHBondContact O-ND2 3.29Å; T775-N778 PolarHBondContact O-N 3.03Å; L776-N778 VanDerWaalsContact C-N 3.29Å; L776-N778 PolarHBondContact O-N 2.71Å; N778-R782 PolarHBondContact O-N 3.38Å; N778-R782 VanDerWaalsContact O-N 3.12Å |
| 779 | L | 83.8 | Confident | 80.2 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62 | -51 | 174.3 | -179.1 | 67.4 | 0 | 0 | 0 | 111.4 | F741 F747 T775 L776 R781 R782 L783 | F741-L779 HydrophobicContact CB-CD2 4.16Å; F741-L779 HydrophobicContact CD1-CD2 3.89Å; F741-L779 HydrophobicContact CD2-CD1 4.49Å; F741-L779 HydrophobicContact CD2-CD2 3.73Å; F741-L779 HydrophobicContact CD2-CG 4.5Å; F741-L779 HydrophobicContact CE1-CD2 4.16Å; F741-L779 HydrophobicContact CE2-CB 4.45Å; F741-L779 HydrophobicContact CE2-CD2 4.03Å; F741-L779 HydrophobicContact CG-CD2 3.66Å; F741-L779 HydrophobicContact CZ-CD2 4.24Å; F747-L779 HydrophobicContact CD2-CD2 3.55Å; F747-L779 HydrophobicContact CE2-CD2 3.85Å; F747-L779 HydrophobicContact CG-CD2 4.22Å; T775-L779 PolarHBondContact O-N 3.47Å; T775-L779 VanDerWaalsContact O-N 3.1Å; L776-L779 PolarHBondContact O-N 3.37Å; L779-R781 VanDerWaalsContact C-N 3.34Å; L779-R781 PolarHBondContact O-N 3.12Å; L779-R782 WeakPolarHBondContact O-CB 3.07Å; L779-R782 PolarHBondContact O-N 2.8Å; L779-R782 VanDerWaalsContact O-N 3.12Å; L779-L783 HydrophobicContact CD1-CD1 4.25Å; L779-L783 HydrophobicContact CD1-CG 4.17Å; L779-L783 HydrophobicContact CD2-CD1 4.42Å; L779-L783 HydrophobicContact CG-CD1 3.93Å; L779-L783 HydrophobicContact CG-CG 4.21Å; L779-L783 WeakPolarHBondContact O-CG 3.23Å; L779-L783 PolarHBondContact O-N 2.97Å |
| 780 | F | 84.3 | Confident | 80.8 | Confident | 13 Ų | 13 | 78 Ų | 78 | 6% | 0.057 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 179.5 | -84.7 | -71.8 | 0 | 0 | 0 | 112.5 | F747 A750 L751 M772 L776 R782 L783 S784 L788 | F747-F780 HydrophobicContact CD2-CE2 4.16Å; F747-F780 HydrophobicContact CD2-CZ 4.01Å; F747-F780 AromaticContact CE2-CE1 3.96Å; F747-F780 HydrophobicContact CE2-CE1 3.96Å; F747-F780 HydrophobicContact CE2-CE2 4.19Å; F747-F780 AromaticContact CE2-CZ 3.7Å; F747-F780 HydrophobicContact CE2-CZ 3.7Å; A750-F780 HydrophobicContact CB-CE2 3.93Å; A750-F780 HydrophobicContact CB-CZ 4.2Å; L751-F780 HydrophobicContact CD2-CE1 3.78Å; L751-F780 HydrophobicContact CD2-CZ 3.92Å; L751-F780 HydrophobicContact CG-CZ 4.27Å; M772-F780 HydrophobicContact CE-CD2 3.72Å; M772-F780 HydrophobicContact CE-CE2 3.74Å; M772-F780 HydrophobicContact CE-CG 4.48Å; M772-F780 HydrophobicContact SD-CD2 3.85Å; M772-F780 HydrophobicContact SD-CE2 4.44Å; L776-F780 HydrophobicContact CD2-CE2 4.28Å; L776-F780 WeakPolarHBondContact O-CD2 3.37Å; L776-F780 PolarHBondContact O-N 3.49Å; F780-R782 VanDerWaalsContact C-N 3.31Å; F780-R782 PolarHBondContact O-N 2.94Å; F780-L783 PolarHBondContact O-N 2.94Å; F780-S784 VanDerWaalsContact O-CB 3.31Å; F780-S784 WeakPolarHBondContact O-CB 3.31Å; F780-S784 PolarHBondContact O-N 2.82Å; F780-S784 PolarHBondContact O-OG 3.46Å; F780-L788 HydrophobicContact CD1-CD2 3.96Å; F780-L788 HydrophobicContact CE1-CD2 4.19Å |
| 781 | R | 82.9 | Confident | 81.7 | Confident | 177 Ų | 177 | 72.5 Ų | 72.5 | 67% | 0.668 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.7 | -44.3 | 173.4 | -78.8 | 179.9 | -172.6 | 170.2 | 1.4 | 111.9 | R777 L779 S785 | R777-R781 WeakPolarHBondContact O-CG 3.37Å; R777-R781 PolarHBondContact O-N 2.77Å; L779-R781 VanDerWaalsContact C-N 3.34Å; L779-R781 PolarHBondContact O-N 3.12Å; R781-S785 PolarHBondContact O-N 3.34Å |
| 782 | R | 84.7 | Confident | 82.9 | Confident | 132 Ų | 132 | 64.9 Ų | 64.9 | 50% | 0.498 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 177.1 | -177.4 | 179.4 | 173.2 | 171.3 | 1 | 111.3 | N778 L779 F780 S784 S785 E786 | N778-R782 PolarHBondContact O-N 3.38Å; N778-R782 VanDerWaalsContact O-N 3.12Å; L779-R782 WeakPolarHBondContact O-CB 3.07Å; L779-R782 PolarHBondContact O-N 2.8Å; L779-R782 VanDerWaalsContact O-N 3.12Å; F780-R782 VanDerWaalsContact C-N 3.31Å; F780-R782 PolarHBondContact O-N 2.94Å; R782-S784 VanDerWaalsContact C-N 3.29Å; R782-S784 PolarHBondContact O-N 3.49Å; R782-S785 PolarHBondContact O-N 2.85Å; R782-S785 VanDerWaalsContact O-N 3.08Å; R782-S785 PolarHBondContact O-OG 3.47Å; R782-E786 WeakPolarHBondContact CG-OE1 3.48Å; R782-E786 IonicContact CZ-OE1 3.82Å; R782-E786 IonicContact NE-OE1 2.67Å; R782-E786 PolarHBondContact NE-OE1 3.21Å; R782-E786 IonicContact NH2-OE1 3.29Å; R782-E786 WeakPolarHBondContact O-CG 3.49Å; R782-E786 PolarHBondContact O-N 3.01Å |
| 783 | L | 86.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 178.8 | -65.5 | 180 | 0 | 0 | 0 | 111.7 | I734 V738 F747 L779 F780 E786 G787 L788 | I734-L783 HydrophobicContact CB-CD2 4.33Å; I734-L783 HydrophobicContact CG1-CD2 4.29Å; I734-L783 HydrophobicContact CG2-CD2 4.09Å; V738-L783 HydrophobicContact CG2-CD1 4.27Å; F747-L783 HydrophobicContact CE2-CD1 3.74Å; F747-L783 HydrophobicContact CZ-CD1 3.79Å; L779-L783 HydrophobicContact CD1-CD1 4.25Å; L779-L783 HydrophobicContact CD1-CG 4.17Å; L779-L783 HydrophobicContact CD2-CD1 4.42Å; L779-L783 HydrophobicContact CG-CD1 3.93Å; L779-L783 HydrophobicContact CG-CG 4.21Å; L779-L783 WeakPolarHBondContact O-CG 3.23Å; L779-L783 PolarHBondContact O-N 2.97Å; F780-L783 PolarHBondContact O-N 2.94Å; L783-E786 CarbonylContact O-C 3.49Å; L783-E786 PolarHBondContact O-N 3.13Å; L783-E786 VanDerWaalsContact O-N 3.15Å; L783-G787 PolarHBondContact O-N 3Å; L783-G787 VanDerWaalsContact O-N 3.14Å; L783-L788 HydrophobicContact CB-CB 4.06Å; L783-L788 HydrophobicContact CB-CD2 3.89Å; L783-L788 HydrophobicContact CB-CG 4.43Å; L783-L788 HydrophobicContact CD1-CD2 4.43Å; L783-L788 VanDerWaalsContact O-CB 3.24Å; L783-L788 WeakPolarHBondContact O-CB 3.33Å; L783-L788 PolarHBondContact O-N 3.14Å |
| 784 | S | 85.8 | Confident | 84.1 | Confident | 70 Ų | 70 | 65.5 Ų | 65.5 | 49% | 0.49 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 173.9 | -67.4 | 0 | 0 | 0 | 0 | 112.6 | F780 R782 E786 G787 | F780-S784 VanDerWaalsContact O-CB 3.31Å; F780-S784 WeakPolarHBondContact O-CB 3.31Å; F780-S784 PolarHBondContact O-N 2.82Å; F780-S784 PolarHBondContact O-OG 3.46Å; R782-S784 VanDerWaalsContact C-N 3.29Å; R782-S784 PolarHBondContact O-N 3.49Å; S784-E786 VanDerWaalsContact C-N 3.27Å; S784-E786 PolarHBondContact O-N 3.31Å; S784-G787 PolarHBondContact O-N 2.99Å |
| 785 | S | 85.3 | Confident | 84.7 | Confident | 98 Ų | 98 | 58 Ų | 58 | 69% | 0.685 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.9 | -27.1 | 172.7 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | R781 R782 G787 | R781-S785 PolarHBondContact O-N 3.34Å; R782-S785 PolarHBondContact O-N 2.85Å; R782-S785 VanDerWaalsContact O-N 3.08Å; R782-S785 PolarHBondContact O-OG 3.47Å; S785-G787 VanDerWaalsContact C-N 3.27Å |
| 786 | E | 85.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 3.7 | 174.9 | -66.9 | 175.1 | -171.7 | 0 | 0 | 112.6 | I734 S737 R782 L783 S784 | I734-E786 HydrophobicContact CG1-CB 4Å; S737-E786 PolarHBondContact OG-OE2 3.28Å; R782-E786 WeakPolarHBondContact CG-OE1 3.48Å; R782-E786 IonicContact CZ-OE1 3.82Å; R782-E786 IonicContact NE-OE1 2.67Å; R782-E786 PolarHBondContact NE-OE1 3.21Å; R782-E786 IonicContact NH2-OE1 3.29Å; R782-E786 WeakPolarHBondContact O-CG 3.49Å; R782-E786 PolarHBondContact O-N 3.01Å; L783-E786 CarbonylContact O-C 3.49Å; L783-E786 PolarHBondContact O-N 3.13Å; L783-E786 VanDerWaalsContact O-N 3.15Å; S784-E786 VanDerWaalsContact C-N 3.27Å; S784-E786 PolarHBondContact O-N 3.31Å |
| 787 | G | 84.2 | Confident | 85.1 | Confident | 40 Ų | 40 | 54.9 Ų | 54.9 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | 29.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L783 S784 S785 T789 I792 | L783-G787 PolarHBondContact O-N 3Å; L783-G787 VanDerWaalsContact O-N 3.14Å; S784-G787 PolarHBondContact O-N 2.99Å; S785-G787 VanDerWaalsContact C-N 3.27Å; G787-T789 PolarHBondContact O-N 3.01Å; G787-I792 WeakPolarHBondContact O-CD1 3.35Å |
| 788 | L | 86.9 | Confident | 85.3 | Confident | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | trans | -60.3 | 115.3 | 174.5 | -174.9 | 71.4 | 0 | 0 | 0 | 111.6 | I734 F780 L783 I792 E793 L796 | I734-L788 HydrophobicContact CD1-CB 4.35Å; I734-L788 HydrophobicContact CG2-CD1 4.41Å; F780-L788 HydrophobicContact CD1-CD2 3.96Å; F780-L788 HydrophobicContact CE1-CD2 4.19Å; L783-L788 HydrophobicContact CB-CB 4.06Å; L783-L788 HydrophobicContact CB-CD2 3.89Å; L783-L788 HydrophobicContact CB-CG 4.43Å; L783-L788 HydrophobicContact CD1-CD2 4.43Å; L783-L788 VanDerWaalsContact O-CB 3.24Å; L783-L788 WeakPolarHBondContact O-CB 3.33Å; L783-L788 PolarHBondContact O-N 3.14Å; L788-I792 HydrophobicContact CD1-CB 4.13Å; L788-I792 HydrophobicContact CD1-CG2 3.68Å; L788-E793 HydrophobicContact CD1-CG 3.93Å; L788-E793 HydrophobicContact CD2-CG 4.05Å; L788-E793 HydrophobicContact CG-CG 3.96Å; L788-L796 HydrophobicContact CD1-CD1 4.14Å | ||
| 789 | T | 86.9 | Confident | 85.4 | Confident | 70 Ų | 70 | 47.8 Ų | 47.8 | 43% | 0.429 | 26% | 0.259 | S | S | . | . | trans | -108.7 | 165.6 | 175.6 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | G787 L791 I792 E793 | G787-T789 PolarHBondContact O-N 3.01Å; T789-L791 PolarHBondContact O-N 3.32Å; T789-I792 HydrophobicContact CG2-CD1 4.47Å; T789-I792 PolarHBondContact O-N 2.83Å; T789-I792 WeakPolarHBondContact OG1-CD1 3.33Å; T789-I792 WeakPolarHBondContact OG1-CG1 3.18Å; T789-I792 PolarHBondContact OG1-N 3.39Å; T789-E793 PolarHBondContact O-N 2.99Å | ||
| 790 | D | 83.8 | Confident | 85.4 | Confident | 97 Ų | 97 | 48.5 Ų | 48.5 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.1 | -35 | 175.1 | -69.7 | -33.3 | 0 | 0 | 0 | 112.6 | R758 E793 M794 | R758-D790 WeakPolarHBondContact CD-OD1 3.46Å; R758-D790 IonicContact CZ-OD1 3.27Å; R758-D790 IonicContact NE-OD1 2.8Å; R758-D790 IonicContact NH1-OD1 3.4Å; R758-D790 PolarHBondContact NH1-OD1 3.34Å; D790-E793 PolarHBondContact O-N 3.4Å; D790-M794 PolarHBondContact O-N 3.5Å |
| 791 | L | 84.7 | Confident | 85.2 | Confident | 53 Ų | 53 | 52.4 Ų | 52.4 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 173.6 | 178.7 | 65.2 | 0 | 0 | 0 | 110.9 | H727 P728 T789 E793 M794 Q795 | H727-L791 HydrophobicContact CB-CD2 4.35Å; P728-L791 HydrophobicContact CG-CD2 4.23Å; T789-L791 PolarHBondContact O-N 3.32Å; L791-E793 VanDerWaalsContact C-N 3.34Å; L791-E793 PolarHBondContact O-N 2.7Å; L791-M794 HydrophobicContact CD1-CE 3.93Å; L791-M794 WeakPolarHBondContact O-CB 3.42Å; L791-M794 PolarHBondContact O-N 3.46Å; L791-Q795 VanDerWaalsContact O-CG 3.29Å; L791-Q795 WeakPolarHBondContact O-CG 3.3Å; L791-Q795 PolarHBondContact O-N 2.97Å |
| 792 | I | 85.9 | Confident | 85.1 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -38.3 | 179.4 | -64.2 | 164.3 | 0 | 0 | 0 | 110.7 | V730 P731 I734 G787 L788 T789 M794 Q795 L796 | V730-I792 HydrophobicContact CG1-CG2 4.09Å; P731-I792 HydrophobicContact CG-CD1 3.92Å; I734-I792 HydrophobicContact CD1-CD1 4.11Å; I734-I792 HydrophobicContact CD1-CG2 4.29Å; I734-I792 HydrophobicContact CG2-CG2 4.11Å; G787-I792 WeakPolarHBondContact O-CD1 3.35Å; L788-I792 HydrophobicContact CD1-CB 4.13Å; L788-I792 HydrophobicContact CD1-CG2 3.68Å; T789-I792 HydrophobicContact CG2-CD1 4.47Å; T789-I792 PolarHBondContact O-N 2.83Å; T789-I792 WeakPolarHBondContact OG1-CD1 3.33Å; T789-I792 WeakPolarHBondContact OG1-CG1 3.18Å; T789-I792 PolarHBondContact OG1-N 3.39Å; I792-M794 VanDerWaalsContact C-N 3.33Å; I792-M794 PolarHBondContact O-N 3.32Å; I792-Q795 PolarHBondContact O-N 3.05Å; I792-L796 HydrophobicContact CG2-CD1 4.08Å; I792-L796 HydrophobicContact CG2-CG 4.29Å; I792-L796 WeakPolarHBondContact O-CB 3.47Å; I792-L796 VanDerWaalsContact O-CG 3.28Å; I792-L796 WeakPolarHBondContact O-CG 3.46Å; I792-L796 PolarHBondContact O-N 3.19Å |
| 793 | E | 86.2 | Confident | 85 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 173.8 | -70.9 | -167.2 | -160.2 | 0 | 0 | 111.9 | L751 R754 R758 L788 T789 D790 L791 L796 L797 | L751-E793 HydrophobicContact CD2-CB 4.03Å; L751-E793 HydrophobicContact CD2-CG 3.68Å; R754-E793 IonicContact CZ-OE1 2.81Å; R754-E793 IonicContact NE-OE1 3.11Å; R754-E793 PolarHBondContact NE-OE1 2.8Å; R754-E793 VanDerWaalsContact NE-OE1 3.13Å; R754-E793 IonicContact NE-OE2 3.73Å; R754-E793 PolarHBondContact NE-OE2 2.82Å; R754-E793 IonicContact NH2-OE1 2.73Å; R754-E793 PolarHBondContact NH2-OE1 2.98Å; R754-E793 IonicContact NH2-OE2 3.67Å; R758-E793 IonicContact CZ-OE2 3.02Å; R758-E793 VanDerWaalsContact NH1-CD 3.28Å; R758-E793 IonicContact NH1-OE1 2.72Å; R758-E793 IonicContact NH1-OE2 2.85Å; R758-E793 PolarHBondContact NH1-OE2 2.79Å; R758-E793 IonicContact NH2-OE2 2.64Å; R758-E793 PolarHBondContact NH2-OE2 3.17Å; L788-E793 HydrophobicContact CD1-CG 3.93Å; L788-E793 HydrophobicContact CD2-CG 4.05Å; L788-E793 HydrophobicContact CG-CG 3.96Å; T789-E793 PolarHBondContact O-N 2.99Å; D790-E793 PolarHBondContact O-N 3.4Å; L791-E793 VanDerWaalsContact C-N 3.34Å; L791-E793 PolarHBondContact O-N 2.7Å; E793-L796 PolarHBondContact O-N 3.18Å; E793-L797 WeakPolarHBondContact O-CG 3.42Å; E793-L797 PolarHBondContact O-N 3.21Å |
| 794 | M | 86.1 | Confident | 84.7 | Confident | 82 Ų | 82 | 39.8 Ų | 39.8 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.7 | -173.8 | -171.5 | 76.9 | 0 | 0 | 112 | A707 D790 L791 I792 L797 A798 | A707-M794 WeakPolarHBondContact O-CE 2.91Å; D790-M794 PolarHBondContact O-N 3.5Å; L791-M794 HydrophobicContact CD1-CE 3.93Å; L791-M794 WeakPolarHBondContact O-CB 3.42Å; L791-M794 PolarHBondContact O-N 3.46Å; I792-M794 VanDerWaalsContact C-N 3.33Å; I792-M794 PolarHBondContact O-N 3.32Å; M794-L797 PolarHBondContact O-N 3.32Å; M794-A798 PolarHBondContact O-N 2.89Å |
| 795 | Q | 87.9 | Confident | 84.4 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.3 | -68.7 | 176.3 | -43.2 | 0 | 0 | 111.8 | C671 P728 V730 L791 I792 L797 A798 M799 | C671-Q795 HydrophobicContact CB-CB 4.02Å; C671-Q795 HydrophobicContact CB-CG 4Å; C671-Q795 VanDerWaalsContact SG-CG 3.58Å; C671-Q795 PolarHBondContact SG-NE2 3.16Å; P728-Q795 PolarHBondContact O-NE2 2.84Å; V730-Q795 HydrophobicContact CG2-CB 3.75Å; L791-Q795 VanDerWaalsContact O-CG 3.29Å; L791-Q795 WeakPolarHBondContact O-CG 3.3Å; L791-Q795 PolarHBondContact O-N 2.97Å; I792-Q795 PolarHBondContact O-N 3.05Å; Q795-L797 VanDerWaalsContact C-N 3.35Å; Q795-L797 PolarHBondContact O-N 2.86Å; Q795-A798 PolarHBondContact O-N 3.35Å; Q795-M799 WeakPolarHBondContact O-CG 3.29Å; Q795-M799 PolarHBondContact O-N 2.92Å |
| 796 | L | 85.8 | Confident | 83.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 175.6 | -71.9 | 172.3 | 0 | 0 | 0 | 112.2 | V730 I734 V738 F747 L751 L788 I792 E793 M799 N800 L803 | V730-L796 HydrophobicContact CG1-CD2 4.21Å; I734-L796 HydrophobicContact CG2-CD1 4.12Å; V738-L796 HydrophobicContact CG2-CD1 4.32Å; V738-L796 HydrophobicContact CG2-CD2 4.4Å; F747-L796 HydrophobicContact CZ-CD1 4.35Å; L751-L796 HydrophobicContact CD1-CB 4.02Å; L751-L796 HydrophobicContact CD1-CD1 4.46Å; L788-L796 HydrophobicContact CD1-CD1 4.14Å; I792-L796 HydrophobicContact CG2-CD1 4.08Å; I792-L796 HydrophobicContact CG2-CG 4.29Å; I792-L796 WeakPolarHBondContact O-CB 3.47Å; I792-L796 VanDerWaalsContact O-CG 3.28Å; I792-L796 WeakPolarHBondContact O-CG 3.46Å; I792-L796 PolarHBondContact O-N 3.19Å; E793-L796 PolarHBondContact O-N 3.18Å; L796-M799 PolarHBondContact O-N 3.22Å; L796-N800 PolarHBondContact O-N 3.04Å; L796-L803 HydrophobicContact CD2-CD1 4.26Å |
| 797 | L | 86.4 | Confident | 83.5 | Confident | 34 Ų | 34 | 34.1 Ų | 34.1 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 174 | -76.9 | 171.7 | 0 | 0 | 0 | 112.2 | I748 L751 E752 E793 M794 Q795 M799 N800 | I748-L797 HydrophobicContact CG2-CD2 4.46Å; L751-L797 HydrophobicContact CB-CD1 4.29Å; L751-L797 HydrophobicContact CB-CD2 3.6Å; L751-L797 HydrophobicContact CB-CG 3.93Å; L751-L797 HydrophobicContact CD1-CG 4.49Å; E752-L797 HydrophobicContact CG-CD2 3.67Å; E793-L797 WeakPolarHBondContact O-CG 3.42Å; E793-L797 PolarHBondContact O-N 3.21Å; M794-L797 PolarHBondContact O-N 3.32Å; Q795-L797 VanDerWaalsContact C-N 3.35Å; Q795-L797 PolarHBondContact O-N 2.86Å; L797-M799 VanDerWaalsContact C-N 3.27Å; L797-M799 PolarHBondContact O-N 3.23Å; L797-N800 WeakPolarHBondContact O-CB 3.35Å; L797-N800 PolarHBondContact O-N 3.47Å |
| 798 | A | 85.4 | Confident | 83 | Confident | 39 Ų | 39 | 37 Ų | 37 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.1 | -30.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C668 F708 M794 Q795 N800 | C668-A798 WeakPolarHBondContact CB-O 3.3Å; F708-A798 HydrophobicContact CE1-CB 3.6Å; F708-A798 HydrophobicContact CZ-CB 3.77Å; M794-A798 PolarHBondContact O-N 2.89Å; Q795-A798 PolarHBondContact O-N 3.35Å; A798-N800 VanDerWaalsContact C-N 3.29Å; A798-N800 PolarHBondContact O-N 3.08Å |
| 799 | M | 85.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 4.8 | 175 | -65.5 | -179.8 | 75.7 | 0 | 0 | 113.8 | C668 C671 F735 Q795 L796 L797 F802 L803 | C668-M799 HydrophobicContact CB-CG 4.11Å; C671-M799 HydrophobicContact CB-SD 4.37Å; F735-M799 HydrophobicContact CD2-CE 4.44Å; F735-M799 HydrophobicContact CE2-CE 3.61Å; F735-M799 HydrophobicContact CE2-SD 4.49Å; F735-M799 HydrophobicContact CZ-CE 4.37Å; Q795-M799 WeakPolarHBondContact O-CG 3.29Å; Q795-M799 PolarHBondContact O-N 2.92Å; L796-M799 PolarHBondContact O-N 3.22Å; L797-M799 VanDerWaalsContact C-N 3.27Å; L797-M799 PolarHBondContact O-N 3.23Å; M799-F802 HydrophobicContact CE-CD1 3.72Å; M799-F802 HydrophobicContact CE-CE1 3.78Å; M799-F802 WeakPolarHBondContact O-CB 3.28Å; M799-F802 PolarHBondContact O-N 3.49Å; M799-F802 VanDerWaalsContact O-N 3.13Å; M799-L803 HydrophobicContact CB-CD1 4.12Å; M799-L803 HydrophobicContact CB-CG 4.1Å; M799-L803 WeakPolarHBondContact O-CG 3.43Å; M799-L803 PolarHBondContact O-N 3.35Å |
| 800 | N | 83.9 | Confident | 81.1 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 17% | 0.171 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -49.4 | -54.1 | -175.4 | 168.8 | 16.1 | 0 | 0 | 0 | 114.2 | I748 L796 L797 A798 F802 L803 I804 | I748-N800 HydrophobicContact CD1-CB 4.44Å; I748-N800 WeakPolarHBondContact CD1-OD1 3.42Å; I748-N800 HydrophobicContact CG2-CB 4.37Å; L796-N800 PolarHBondContact O-N 3.04Å; L797-N800 WeakPolarHBondContact O-CB 3.35Å; L797-N800 PolarHBondContact O-N 3.47Å; A798-N800 VanDerWaalsContact C-N 3.29Å; A798-N800 PolarHBondContact O-N 3.08Å; N800-F802 PolarHBondContact O-N 2.68Å; N800-L803 PolarHBondContact O-N 3.33Å; N800-I804 WeakPolarHBondContact O-CG1 3.37Å; N800-I804 PolarHBondContact O-N 3.12Å; N800-I804 WeakPolarHBondContact OD1-CD1 3.33Å |
| 801 | P | 78.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 36.7 Ų | 36.7 | 62% | 0.623 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -58.1 | -36.8 | -178 | -21.2 | 32.5 | 0 | 0 | 0 | 112.5 | S805 | P801-S805 WeakPolarHBondContact O-CB 3.47Å; P801-S805 PolarHBondContact O-N 2.86Å; P801-S805 VanDerWaalsContact O-N 3.16Å |
| 802 | F | 81.3 | Confident | 79 | Confident | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.5 | -47.3 | 178.9 | 168.4 | -110.4 | 0 | 0 | 0 | 112.5 | F630 I638 Y669 F735 M799 N800 I804 S805 M806 | F630-F802 WeakPolarHBondContact O-CE2 3.4Å; I638-F802 HydrophobicContact CD1-CE2 4.14Å; I638-F802 HydrophobicContact CD1-CZ 4.13Å; Y669-F802 HydrophobicContact CE1-CD1 4.2Å; Y669-F802 AromaticContact CE1-CD2 3.73Å; Y669-F802 HydrophobicContact CE1-CD2 3.73Å; Y669-F802 AromaticContact CE1-CE1 3.97Å; Y669-F802 HydrophobicContact CE1-CE1 3.97Å; Y669-F802 AromaticContact CE1-CE2 3.48Å; Y669-F802 HydrophobicContact CE1-CE2 3.48Å; Y669-F802 VanDerWaalsContact CE1-CE2 3.48Å; Y669-F802 HydrophobicContact CE1-CG 4.05Å; Y669-F802 AromaticContact CE1-CZ 3.58Å; Y669-F802 HydrophobicContact CE1-CZ 3.58Å; Y669-F802 AromaticContact CZ-CD2 3.66Å; Y669-F802 AromaticContact CZ-CE2 3.75Å; Y669-F802 WeakPolarHBondContact OH-CD2 3.33Å; Y669-F802 WeakPolarHBondContact OH-CE2 3.45Å; F735-F802 HydrophobicContact CE2-CE1 4.35Å; F735-F802 HydrophobicContact CZ-CE1 4.01Å; M799-F802 HydrophobicContact CE-CD1 3.72Å; M799-F802 HydrophobicContact CE-CE1 3.78Å; M799-F802 WeakPolarHBondContact O-CB 3.28Å; M799-F802 PolarHBondContact O-N 3.49Å; M799-F802 VanDerWaalsContact O-N 3.13Å; N800-F802 PolarHBondContact O-N 2.68Å; F802-I804 VanDerWaalsContact C-N 3.29Å; F802-I804 PolarHBondContact O-N 2.66Å; F802-S805 PolarHBondContact O-N 3.26Å; F802-S805 VanDerWaalsContact O-N 3.13Å; F802-M806 HydrophobicContact CD1-CE 4.45Å; F802-M806 HydrophobicContact CD2-CG 3.87Å; F802-M806 HydrophobicContact CD2-SD 4.41Å; F802-M806 HydrophobicContact CE1-CE 3.63Å; F802-M806 HydrophobicContact CE1-CG 4.25Å; F802-M806 HydrophobicContact CE1-SD 3.8Å; F802-M806 HydrophobicContact CE2-CE 4.37Å; F802-M806 HydrophobicContact CE2-CG 3.43Å; F802-M806 VanDerWaalsContact CE2-CG 3.43Å; F802-M806 HydrophobicContact CE2-SD 3.47Å; F802-M806 WeakPolarHBondContact CE2-SD 3.4Å; F802-M806 HydrophobicContact CG-CG 4.48Å; F802-M806 HydrophobicContact CZ-CE 3.61Å; F802-M806 HydrophobicContact CZ-CG 3.67Å; F802-M806 HydrophobicContact CZ-SD 3.1Å; F802-M806 WeakPolarHBondContact CZ-SD 3.45Å; F802-M806 PolarHBondContact O-N 3.23Å |
| 803 | L | 82.6 | Confident | 77.4 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -40.4 | 179.2 | -71.7 | 174.5 | 0 | 0 | 0 | 111.8 | F735 V738 L739 I744 L796 M799 N800 K807 | F735-L803 HydrophobicContact CD2-CD2 4.45Å; F735-L803 HydrophobicContact CE2-CD2 3.87Å; F735-L803 HydrophobicContact CZ-CD2 4.49Å; V738-L803 HydrophobicContact CG1-CD1 4.29Å; L739-L803 HydrophobicContact CD2-CD2 3.77Å; L739-L803 HydrophobicContact CG-CD2 4.48Å; I744-L803 HydrophobicContact CD1-CB 3.86Å; L796-L803 HydrophobicContact CD2-CD1 4.26Å; M799-L803 HydrophobicContact CB-CD1 4.12Å; M799-L803 HydrophobicContact CB-CG 4.1Å; M799-L803 WeakPolarHBondContact O-CG 3.43Å; M799-L803 PolarHBondContact O-N 3.35Å; N800-L803 PolarHBondContact O-N 3.33Å; L803-K807 WeakPolarHBondContact O-CB 3.46Å; L803-K807 PolarHBondContact O-N 3.36Å |
| 804 | I | 81.3 | Confident | 75.8 | Confident | 35 Ų | 35 | 47 Ų | 47 | 18% | 0.179 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 174.3 | -70.2 | 175.8 | 0 | 0 | 0 | 110.7 | I744 I748 N800 F802 K807 H808 | I744-I804 HydrophobicContact CG2-CG1 4.11Å; I748-I804 HydrophobicContact CD1-CD1 3.88Å; I748-I804 HydrophobicContact CD1-CG1 3.65Å; N800-I804 WeakPolarHBondContact O-CG1 3.37Å; N800-I804 PolarHBondContact O-N 3.12Å; N800-I804 WeakPolarHBondContact OD1-CD1 3.33Å; F802-I804 VanDerWaalsContact C-N 3.29Å; F802-I804 PolarHBondContact O-N 2.66Å; I804-K807 PolarHBondContact O-N 2.69Å; I804-H808 PolarHBondContact O-CD2 3.23Å; I804-H808 PolarHBondContact O-N 3.12Å |
| 805 | S | 78.4 | Confident | 73.9 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | -176.6 | -168.4 | 0 | 0 | 0 | 0 | 112.5 | T631 P801 F802 K807 H808 K809 | T631-S805 WeakPolarHBondContact CG2-OG 3.26Å; P801-S805 WeakPolarHBondContact O-CB 3.47Å; P801-S805 PolarHBondContact O-N 2.86Å; P801-S805 VanDerWaalsContact O-N 3.16Å; F802-S805 PolarHBondContact O-N 3.26Å; F802-S805 VanDerWaalsContact O-N 3.13Å; S805-K807 VanDerWaalsContact C-N 3.26Å; S805-K807 PolarHBondContact O-N 2.98Å; S805-H808 PolarHBondContact O-N 3.41Å; S805-K809 PolarHBondContact O-N 2.95Å; S805-K809 VanDerWaalsContact O-N 3.1Å |
| 806 | M | 75.9 | Confident | 71.8 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.5 | -39 | 175.5 | -72.5 | -146.5 | -52 | 0 | 0 | 112.3 | F735 L739 F802 K809 A810 | F735-M806 HydrophobicContact CE1-CE 4.37Å; F735-M806 HydrophobicContact CZ-CE 3.89Å; L739-M806 HydrophobicContact CD1-CE 3.5Å; L739-M806 HydrophobicContact CD2-CE 3.39Å; L739-M806 HydrophobicContact CG-CE 4.08Å; F802-M806 HydrophobicContact CD1-CE 4.45Å; F802-M806 HydrophobicContact CD2-CG 3.87Å; F802-M806 HydrophobicContact CD2-SD 4.41Å; F802-M806 HydrophobicContact CE1-CE 3.63Å; F802-M806 HydrophobicContact CE1-CG 4.25Å; F802-M806 HydrophobicContact CE1-SD 3.8Å; F802-M806 HydrophobicContact CE2-CE 4.37Å; F802-M806 HydrophobicContact CE2-CG 3.43Å; F802-M806 VanDerWaalsContact CE2-CG 3.43Å; F802-M806 HydrophobicContact CE2-SD 3.47Å; F802-M806 WeakPolarHBondContact CE2-SD 3.4Å; F802-M806 HydrophobicContact CG-CG 4.48Å; F802-M806 HydrophobicContact CZ-CE 3.61Å; F802-M806 HydrophobicContact CZ-CG 3.67Å; F802-M806 HydrophobicContact CZ-SD 3.1Å; F802-M806 WeakPolarHBondContact CZ-SD 3.45Å; F802-M806 PolarHBondContact O-N 3.23Å; M806-K809 PolarHBondContact O-N 3.33Å; M806-A810 WeakPolarHBondContact O-CB 3.31Å; M806-A810 PolarHBondContact O-N 3.37Å |
| 807 | K | 75.6 | Confident | 69.7 | Low | 22 Ų | 22 | 59.9 Ų | 59.9 | 10% | 0.096 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -72.5 | -39.4 | -179.7 | -169.7 | 177.3 | 176.9 | -173.3 | 0 | 113 | F741 Q742 I744 L803 I804 S805 K809 A810 L811 | F741-K807 WeakPolarHBondContact O-CE 3.24Å; F741-K807 PolarHBondContact O-NZ 3.2Å; Q742-K807 WeakPolarHBondContact O-CE 3.32Å; Q742-K807 PolarHBondContact O-NZ 2.83Å; I744-K807 HydrophobicContact CB-CD 3.67Å; I744-K807 HydrophobicContact CD1-CD 4.13Å; I744-K807 HydrophobicContact CG2-CD 3.58Å; L803-K807 WeakPolarHBondContact O-CB 3.46Å; L803-K807 PolarHBondContact O-N 3.36Å; I804-K807 PolarHBondContact O-N 2.69Å; S805-K807 VanDerWaalsContact C-N 3.26Å; S805-K807 PolarHBondContact O-N 2.98Å; K807-K809 VanDerWaalsContact C-N 3.3Å; K807-K809 PolarHBondContact O-N 2.88Å; K807-A810 PolarHBondContact O-N 3.07Å; K807-L811 HydrophobicContact CG-CD1 4.13Å; K807-L811 WeakPolarHBondContact O-CG 3.37Å; K807-L811 PolarHBondContact O-N 3.27Å |
| 808 | H | 73.1 | Confident | 67.5 | Low | 100 Ų | 100 | 62 Ų | 62 | 46% | 0.463 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 173.3 | -88.8 | -68.6 | 0 | 0 | 0 | 111.7 | H745 I804 S805 A810 L811 Q812 | H745-H808 AromaticContact NE2-NE2 3.63Å; I804-H808 PolarHBondContact O-CD2 3.23Å; I804-H808 PolarHBondContact O-N 3.12Å; S805-H808 PolarHBondContact O-N 3.41Å; H808-A810 VanDerWaalsContact C-N 3.32Å; H808-A810 PolarHBondContact O-N 3.38Å; H808-L811 PolarHBondContact O-N 2.91Å; H808-Q812 PolarHBondContact O-N 3.48Å |
| 809 | K | 68.7 | Low | 65.2 | Low | 46 Ų | 46 | 62.4 Ų | 62.4 | 20% | 0.2 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.2 | -31.8 | 174.4 | -83.8 | -179.3 | 169.7 | -179.8 | 0 | 113.7 | Q628 T631 R633 S805 M806 K807 | Q628-K809 PolarHBondContact O-NZ 3.17Å; T631-K809 WeakPolarHBondContact O-CD 3.45Å; T631-K809 PolarHBondContact O-NZ 2.99Å; T631-K809 PolarHBondContact OG1-NZ 2.93Å; R633-K809 PolarHBondContact NH2-O 3.35Å; S805-K809 PolarHBondContact O-N 2.95Å; S805-K809 VanDerWaalsContact O-N 3.1Å; M806-K809 PolarHBondContact O-N 3.33Å; K807-K809 VanDerWaalsContact C-N 3.3Å; K807-K809 PolarHBondContact O-N 2.88Å |
| 810 | A | 65.3 | Low | 62.9 | Low | 52 Ų | 52 | 65.8 Ų | 65.8 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.9 | -28.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | M806 K807 H808 | M806-A810 WeakPolarHBondContact O-CB 3.31Å; M806-A810 PolarHBondContact O-N 3.37Å; K807-A810 PolarHBondContact O-N 3.07Å; H808-A810 VanDerWaalsContact C-N 3.32Å; H808-A810 PolarHBondContact O-N 3.38Å |
| 811 | L | 64.4 | Low | 60.6 | Low | 84 Ų | 84 | 71.2 Ų | 71.2 | 44% | 0.44 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -79.8 | -33.4 | 177 | -74.5 | 165.2 | 0 | 0 | 0 | 112.8 | K807 H808 D813 L814 D815 | K807-L811 HydrophobicContact CG-CD1 4.13Å; K807-L811 WeakPolarHBondContact O-CG 3.37Å; K807-L811 PolarHBondContact O-N 3.27Å; H808-L811 PolarHBondContact O-N 2.91Å; L811-D813 VanDerWaalsContact C-N 3.29Å; L811-D813 PolarHBondContact O-N 3.46Å; L811-L814 HydrophobicContact CD2-CD1 4.24Å; L811-L814 PolarHBondContact O-N 3.17Å; L811-D815 PolarHBondContact O-N 2.88Å |
| 812 | Q | 60.3 | Low | 58.5 | Low | 124 Ų | 124 | 70.5 Ų | 70.5 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.2 | -35.7 | 176.7 | -82.9 | 176.9 | -33.7 | 0 | 0 | 113.1 | H808 D815 D816 | H808-Q812 PolarHBondContact O-N 3.48Å; Q812-D815 PolarHBondContact O-N 3.34Å; Q812-D816 PolarHBondContact O-N 3.15Å |
| 813 | D | 52.3 | Low | 56.2 | Low | 50 Ų | 50 | 80 Ų | 80 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.8 | -31.7 | 176.9 | -63.3 | -34.5 | 0 | 0 | 0 | 113.9 | R633 L811 D815 D816 T817 | R633-D813 IonicContact CZ-OD1 3.45Å; R633-D813 IonicContact CZ-OD2 3.68Å; R633-D813 IonicContact NE-OD2 3.62Å; R633-D813 PolarHBondContact NE-OD2 3.31Å; R633-D813 IonicContact NH1-OD1 2.75Å; R633-D813 PolarHBondContact NH1-OD1 2.91Å; R633-D813 IonicContact NH1-OD2 3.74Å; R633-D813 PolarHBondContact NH1-OD2 3.38Å; R633-D813 IonicContact NH2-OD1 3.67Å; R633-D813 PolarHBondContact NH2-OD1 2.98Å; R633-D813 IonicContact NH2-OD2 3.01Å; R633-D813 PolarHBondContact NH2-OD2 3.2Å; L811-D813 VanDerWaalsContact C-N 3.29Å; L811-D813 PolarHBondContact O-N 3.46Å; D813-D815 PolarHBondContact O-N 3.47Å; D813-D816 PolarHBondContact O-N 3.31Å; D813-T817 WeakPolarHBondContact O-CB 3.38Å; D813-T817 WeakPolarHBondContact O-CG2 3.45Å; D813-T817 PolarHBondContact O-N 2.94Å; D813-T817 PolarHBondContact O-OG1 2.83Å |
| 814 | L | 54 | Low | 53.9 | Low | 112 Ų | 112 | 87.5 Ų | 87.5 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -31.3 | 177.1 | -74.7 | 163.9 | 0 | 0 | 0 | 110.4 | L811 T817 A818 | L811-L814 HydrophobicContact CD2-CD1 4.24Å; L811-L814 PolarHBondContact O-N 3.17Å; L814-T817 PolarHBondContact O-OG1 3.39Å; L814-A818 WeakPolarHBondContact O-CB 3.41Å; L814-A818 PolarHBondContact O-N 2.87Å |
| 815 | D | 44.4 | Very low | 51.7 | Low | 121 Ų | 121 | 91.6 Ų | 91.6 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -78.3 | -38.8 | 172.8 | -80.3 | -20.9 | 0 | 0 | 0 | 112 | L811 Q812 D813 A818 S819 | L811-D815 PolarHBondContact O-N 2.88Å; Q812-D815 PolarHBondContact O-N 3.34Å; D813-D815 PolarHBondContact O-N 3.47Å; D815-A818 CarbonylContact O-C 3.43Å; D815-A818 PolarHBondContact O-N 3.39Å; D815-S819 VanDerWaalsContact O-CB 3.32Å; D815-S819 WeakPolarHBondContact O-CB 3.15Å; D815-S819 PolarHBondContact O-N 2.87Å |
| 816 | D | 44.8 | Very low | 49.5 | Very low | 118 Ų | 118 | 95.5 Ų | 95.5 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.2 | -36.5 | 177.9 | -79.7 | -25.6 | 0 | 0 | 0 | 113 | Q812 D813 A818 S819 | Q812-D816 PolarHBondContact O-N 3.15Å; D813-D816 PolarHBondContact O-N 3.31Å; D816-A818 VanDerWaalsContact C-N 3.26Å; D816-A818 PolarHBondContact O-N 2.86Å; D816-S819 PolarHBondContact O-N 3.34Å |
| 817 | T | 41.4 | Very low | 47.5 | Very low | 117 Ų | 117 | 98.9 Ų | 98.9 | 72% | 0.718 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -68.4 | -24 | 171.7 | 49.6 | 0 | 0 | 0 | 0 | 113 | D813 L814 | D813-T817 WeakPolarHBondContact O-CB 3.38Å; D813-T817 WeakPolarHBondContact O-CG2 3.45Å; D813-T817 PolarHBondContact O-N 2.94Å; D813-T817 PolarHBondContact O-OG1 2.83Å; L814-T817 PolarHBondContact O-OG1 3.39Å |
| 818 | A | 39.4 | Very low | 45.5 | Very low | 78 Ų | 78 | 109.4 Ų | 109.4 | 65% | 0.645 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -86.3 | -16.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | L814 D815 D816 G820 | L814-A818 WeakPolarHBondContact O-CB 3.41Å; L814-A818 PolarHBondContact O-N 2.87Å; D815-A818 CarbonylContact O-C 3.43Å; D815-A818 PolarHBondContact O-N 3.39Å; D816-A818 VanDerWaalsContact C-N 3.26Å; D816-A818 PolarHBondContact O-N 2.86Å; A818-G820 PolarHBondContact O-N 3.4Å |
| 819 | S | 37.6 | Very low | 43.7 | Very low | 47 Ų | 47 | 113.3 Ų | 113.3 | 33% | 0.329 | 63% | 0.633 | S | S | . | * | trans | -97.3 | 26.6 | -172.6 | -149.4 | 0 | 0 | 0 | 0 | 114.9 | D815 D816 N821 G822 | D815-S819 VanDerWaalsContact O-CB 3.32Å; D815-S819 WeakPolarHBondContact O-CB 3.15Å; D815-S819 PolarHBondContact O-N 2.87Å; D816-S819 PolarHBondContact O-N 3.34Å; S819-N821 PolarHBondContact O-N 2.85Å; S819-G822 PolarHBondContact O-N 3.29Å | ||
| 820 | G | 36.6 | Very low | 42.2 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 74% | 0.742 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | 3.2 | 170 | 0 | 0 | 0 | 0 | 0 | 115.6 | A818 | A818-G820 PolarHBondContact O-N 3.4Š|
| 821 | N | 35.5 | Very low | 40.7 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | 34.5 | -179.4 | -78 | -19.4 | 0 | 0 | 0 | 113.6 | S819 R823 | S819-N821 PolarHBondContact O-N 2.85Å; N821-R823 PolarHBondContact O-N 2.79Å |
| 822 | G | 36.8 | Very low | 39.3 | Very low | 81 Ų | 81 | 124.7 Ų | 124.7 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | trans | 53.8 | 24.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | S819 | S819-G822 PolarHBondContact O-N 3.29Š| ||
| 823 | R | 32.2 | Very low | 37.9 | Very low | 206 Ų | 206 | 123.6 Ų | 123.6 | 78% | 0.777 | 71% | 0.706 | S | S | * | * | trans | -103.7 | 120.5 | 177.8 | -87.1 | -174 | 171.4 | 176.3 | -1 | 109.6 | N821 V825 | N821-R823 PolarHBondContact O-N 2.79Å; R823-V825 PolarHBondContact O-N 3.24Å; R823-V825 VanDerWaalsContact O-N 3.15Å | ||
| 824 | I | 33.8 | Very low | 37 | Very low | 160 Ų | 160 | 130 Ų | 130 | 82% | 0.821 | 73% | 0.734 | S | S | * | * | trans | -67.9 | 109.5 | 168.5 | -59.5 | 171.9 | 0 | 0 | 0 | 107.7 | V826 | I824-V826 HydrophobicContact CG2-CG2 4.04Å; I824-V826 PolarHBondContact O-N 3.49Å | ||
| 825 | V | 34.6 | Very low | 36 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -89.4 | 98.2 | 171.7 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | R823 S827 | R823-V825 PolarHBondContact O-N 3.24Å; R823-V825 VanDerWaalsContact O-N 3.15Å; V825-S827 PolarHBondContact O-N 3Å; V825-S827 VanDerWaalsContact O-N 3.14Å | ||
| 826 | V | 32.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -74.5 | 100.5 | 168.9 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | I824 R828 | I824-V826 HydrophobicContact CG2-CG2 4.04Å; I824-V826 PolarHBondContact O-N 3.49Å; V826-R828 PolarHBondContact O-N 3.19Å | ||
| 827 | S | 35 | Very low | 35 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -63 | 110 | 170.6 | 64.2 | 0 | 0 | 0 | 0 | 108.6 | V825 K829 | V825-S827 PolarHBondContact O-N 3Å; V825-S827 VanDerWaalsContact O-N 3.14Å; S827-K829 PolarHBondContact O-N 3.06Å | ||
| 828 | R | 31.8 | Very low | 34.6 | Very low | 244 Ų | 244 | 141.1 Ų | 141.1 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -59.2 | 95.5 | 173.6 | -80.2 | 178.7 | 172.3 | 178.4 | -4.9 | 109.7 | V826 | V826-R828 PolarHBondContact O-N 3.19Š| ||
| 829 | K | 35.4 | Very low | 34.5 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | trans | -69.9 | 136 | 153.1 | -81.8 | -176.1 | 175.5 | 177.5 | 0 | 107.5 | S827 V831 | S827-K829 PolarHBondContact O-N 3.06Å; K829-V831 PolarHBondContact O-N 3.08Å | ||
| 830 | Q | 37.8 | Very low | 34.5 | Very low | 205 Ų | 205 | 148 Ų | 148 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -55 | 98.3 | 175.2 | -72.4 | 172.5 | -26 | 0 | 0 | 110.2 | ||||
| 831 | V | 33.3 | Very low | 34.6 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 67% | 0.673 | 82% | 0.819 | S | S | * | * | trans | -109 | 120.5 | 159.8 | -177 | 0 | 0 | 0 | 0 | 105.3 | K829 C833 | K829-V831 PolarHBondContact O-N 3.08Å; V831-C833 VanDerWaalsContact C-N 3.32Å; V831-C833 PolarHBondContact O-N 3.17Å | ||
| 832 | A | 36.8 | Very low | 34.6 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -69.5 | 91.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 833 | C | 30.8 | Very low | 34.5 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 119.6 | 169.3 | -72.9 | 0 | 0 | 0 | 0 | 108.6 | V831 E835 | V831-C833 VanDerWaalsContact C-N 3.32Å; V831-C833 PolarHBondContact O-N 3.17Å; C833-E835 PolarHBondContact O-N 3.47Å |
| 834 | H | 32.8 | Very low | 34.8 | Very low | 184 Ų | 184 | 154.2 Ų | 154.2 | 85% | 0.852 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 123.8 | 168.4 | -73.1 | -74 | 0 | 0 | 0 | 109.7 | ||
| 835 | E | 32.7 | Very low | 34.7 | Very low | 191 Ų | 191 | 155.3 Ų | 155.3 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 125 | 176.9 | -70.5 | -177.2 | 163.7 | 0 | 0 | 110.5 | C833 | C833-E835 PolarHBondContact O-N 3.47Š|
| 836 | Y | 30.6 | Very low | 35.3 | Very low | 217 Ų | 217 | 154.4 Ų | 154.4 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 128.4 | 164.5 | -96.1 | -88.4 | 0 | 0 | 0 | 109.2 | ||
| 837 | P | 37.2 | Very low | 35.9 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 121.3 | -179.6 | 31 | -30.2 | 0 | 0 | 0 | 110.8 | ||
| 838 | L | 33.1 | Very low | 35.9 | Very low | 172 Ų | 172 | 158.8 Ų | 158.8 | 90% | 0.901 | 84% | 0.838 | S | S | * | * | trans | -100.5 | 102.7 | 166.8 | -82.7 | 164.2 | 0 | 0 | 0 | 110 | ||||
| 839 | A | 37.6 | Very low | 36.1 | Very low | 101 Ų | 101 | 153.4 Ų | 153.4 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | trans | 62.3 | 134.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 840 | D | 38 | Very low | 36.3 | Very low | 168 Ų | 168 | 155.5 Ų | 155.5 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 147.9 | -171.9 | -78.4 | -52.2 | 0 | 0 | 0 | 116.3 | A842 | D840-A842 PolarHBondContact O-N 3.45Š|
| 841 | K | 38.8 | Very low | 36.2 | Very low | 212 Ų | 212 | 159.1 Ų | 159.1 | 92% | 0.922 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 120.3 | 170.4 | -72.7 | 169.7 | 173.9 | 170.8 | 0 | 111.8 | ||
| 842 | A | 34.5 | Very low | 36.4 | Very low | 103 Ų | 103 | 161.6 Ų | 161.6 | 85% | 0.851 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 123.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | D840 | D840-A842 PolarHBondContact O-N 3.45Š|
| 843 | S | 35.1 | Very low | 36.3 | Very low | 114 Ų | 114 | 164.5 Ų | 164.5 | 80% | 0.797 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 147 | -175.9 | 45.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 844 | K | 39.2 | Very low | 36.7 | Very low | 207 Ų | 207 | 168.1 Ų | 168.1 | 90% | 0.9 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 141.2 | 168.4 | -73.2 | 175.6 | 171.6 | 178.3 | 0 | 112.9 | ||
| 845 | M | 31.6 | Very low | 36.9 | Very low | 184 Ų | 184 | 167.1 Ų | 167.1 | 91% | 0.906 | 86% | 0.86 | S | S | * | * | trans | -133.5 | 155.4 | 145.8 | -81.9 | -153.4 | 88.9 | 0 | 0 | 110.6 | ||||
| 846 | P | 46.3 | Very low | 37.1 | Very low | 102 Ų | 102 | 165.6 Ų | 165.6 | 66% | 0.662 | 86% | 0.858 | S | S | * | * | trans | -105.5 | 156.8 | -155.2 | 35 | -23.5 | 0 | 0 | 0 | 115 | ||||
| 847 | L | 45.8 | Very low | 37.6 | Very low | 168 Ų | 168 | 162.2 Ų | 162.2 | 88% | 0.88 | 86% | 0.859 | S | S | * | * | trans | 27.7 | 117.4 | 149.2 | -74.7 | 140.7 | 0 | 0 | 0 | 118.5 | ||||
| 848 | D | 34.1 | Very low | 37.6 | Very low | 142 Ų | 142 | 165.1 Ų | 165.1 | 76% | 0.759 | 86% | 0.863 | S | S | * | * | -160.9 | 131.8 | 127.2 | -124.1 | -23.3 | 0 | 0 | 0 | 114.1 | |||||
| 849 | N | 36.3 | Very low | 37.9 | Very low | 131 Ų | 131 | 164.5 Ų | 164.5 | 70% | 0.701 | 86% | 0.86 | S | S | * | * | trans | 40.9 | 135 | 138.3 | -88.6 | -45.1 | 0 | 0 | 0 | 124.4 | ||||
| 850 | R | 38.9 | Very low | 38 | Very low | 226 Ų | 226 | 169.8 Ų | 169.8 | 85% | 0.853 | 86% | 0.863 | S | S | * | * | trans | 100.9 | 119.7 | 136 | -79.6 | 172 | 178.7 | -173.8 | 0.8 | 120.1 | ||||
| 851 | K | 37 | Very low | 38 | Very low | 281 Ų | 281 | 170 Ų | 170 | 100% | 1.222 | 86% | 0.859 | S | S | * | * | trans | 85.6 | 0 | 153.8 | -71.8 | -171.3 | 175.9 | -176.1 | 0 | 117.6 |
Retrieved 851 of 851 residues in 278.9 ms
(Link to these results)