A0A077Z6K1_TRITR Loading...

Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B

AlphaFold DB , UniProt , Accession A0A077Z6K1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 456 aa.

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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
1M31.3Very low36.9Very low231 Ų231114 Ų114100%1.13860%0.598SS**  01180-72.7176-179.500106.7H3M1-H3 PolarHBondContact O-N 2.93Å
2N29Very low38.3Very low169 Ų169104.8 Ų104.890%0.90455%0.549SS*.  trans-61.1101.6179.4-80.5-10.5000109.1N4N2-N4 VanDerWaalsContact C-N 3.34Å; N2-N4 PolarHBondContact O-N 3.01Å
3H26Very low39.1Very low181 Ų18198.9 Ų98.984%0.83852%0.517SS*.  trans-69.998.7163.3-85.5-37.1000107M1M1-H3 PolarHBondContact O-N 2.93Å
4N24.6Very low39.8Very low138 Ų13897.2 Ų97.274%0.73850%0.5SS*.  trans-52.7125.3155-89.8-17.5000106.6N2 V6N2-N4 VanDerWaalsContact C-N 3.34Å; N2-N4 PolarHBondContact O-N 3.01Å; N4-V6 PolarHBondContact O-N 2.89Å
5P29.1Very low40.7Very low110 Ų11091 Ų9171%0.71447%0.468SS*.  trans-63.6107.3170.826.5-27.8000105.2T7P5-T7 VanDerWaalsContact C-N 3.3Å; P5-T7 PolarHBondContact O-N 2.94Å
6V32.8Very low41.4Very low115 Ų11588.7 Ų88.770%0.69745%0.454SS*.  trans-57.7105.7165.8175.80000104.2N4 K8N4-V6 PolarHBondContact O-N 2.89Å; V6-K8 PolarHBondContact O-N 3.37Å
7T37Very low41.9Very low63 Ų6386.5 Ų86.539%0.38744%0.441SS..  trans-59.294.2173.841.10000106.4P5P5-T7 VanDerWaalsContact C-N 3.3Å; P5-T7 PolarHBondContact O-N 2.94Å
8K48.1Very low42.9Very low174 Ų17483.7 Ų83.776%0.75743%0.427SS*.PPolyproline II helixtrans-64.9142.7178.2-70.9-175.9177.7-178.40107.9V6V6-K8 PolarHBondContact O-N 3.37Å
9H48.2Very low43.4Very low26 Ų2684.1 Ų84.112%0.1243%0.43CS..PPolyproline II helixtrans-54.2130.2174.6-166.7-53.7000109.1V11 T370 N372 L379H9-V11 PolarHBondContact O-N 3.48Å; H9-T370 PolarHBondContact CE1-OG1 2.99Å; H9-T370 VanDerWaalsContact CE1-OG1 3.23Å; H9-N372 VanDerWaalsContact CD2-CB 3.44Å; H9-N372 WeakPolarHBondContact CD2-CB 3.43Å; H9-L379 VanDerWaalsContact CE1-CD1 3.43Å; H9-L379 WeakPolarHBondContact CE1-CD1 3.39Å; H9-L379 WeakPolarHBondContact ND1-CD1 3.26Å
10P50.3Low43.5Very low1 Ų181.9 Ų81.91%0.00642%0.417CS..PPolyproline II helixtrans-56.6138.5179.7-20.626.9000111.7F12 W426 N431 D446P10-F12 HydrophobicContact CB-CE2 3.97Å; P10-F12 HydrophobicContact CB-CZ 3.83Å; P10-W426 HydrophobicContact CG-CH2 4.17Å; P10-W426 HydrophobicContact CG-CZ2 4.02Å; P10-N431 HydrophobicContact CB-CB 4.32Å; P10-D446 VanDerWaalsContact CA-OD2 3.31Å; P10-D446 WeakPolarHBondContact CA-OD2 3.5Å; P10-D446 HydrophobicContact CB-CB 3.85Å
11V49.3Very low43.1Very low46 Ų4687.1 Ų87.128%0.27944%0.437SS..  trans-115.3101.7175.9-179.20000108.9H9 K13 L393 D446H9-V11 PolarHBondContact O-N 3.48Å; V11-K13 WeakPolarHBondContact O-CG 3.4Å; V11-K13 PolarHBondContact O-N 2.99Å; V11-L393 HydrophobicContact CG1-CD2 3.59Å; V11-D446 VanDerWaalsContact N-CG 3.32Å; V11-D446 PolarHBondContact N-OD1 3.04Å; V11-D446 WeakPolarHBondContact O-CA 3.46Å
12F53.7Low43.6Very low3 Ų382.5 Ų82.51%0.01341%0.414CS..EExtended strand (participates in β ladder)trans-71.7118.5-175.5-64.3-77000112.2P10 T370 L381 L394 W426 I433 F444 N445P10-F12 HydrophobicContact CB-CE2 3.97Å; P10-F12 HydrophobicContact CB-CZ 3.83Å; F12-T370 HydrophobicContact CE2-CG2 4.25Å; F12-L381 HydrophobicContact CB-CD1 4.19Å; F12-L381 HydrophobicContact CD2-CD1 3.79Å; F12-L381 HydrophobicContact CG-CD1 4.42Å; F12-L394 HydrophobicContact CB-CD1 4.14Å; F12-W426 HydrophobicContact CZ-CH2 4.16Å; F12-W426 HydrophobicContact CZ-CZ2 4.03Å; F12-I433 HydrophobicContact CD1-CD1 4.44Å; F12-I433 HydrophobicContact CD2-CD1 4.33Å; F12-I433 HydrophobicContact CE1-CB 4.18Å; F12-I433 HydrophobicContact CE1-CD1 3.62Å; F12-I433 HydrophobicContact CE1-CG1 3.66Å; F12-I433 HydrophobicContact CE2-CD1 3.49Å; F12-I433 VanDerWaalsContact CE2-CD1 3.49Å; F12-I433 HydrophobicContact CE2-CG1 4.45Å; F12-I433 HydrophobicContact CZ-CD1 3.09Å; F12-I433 HydrophobicContact CZ-CG1 3.63Å; F12-F444 HydrophobicContact CB-CB 4Å; F12-F444 HydrophobicContact CD1-CB 3.73Å; F12-F444 HydrophobicContact CG-CB 4.05Å; F12-N445 CarbonylContact C-O 3.58Å; F12-N445 VanDerWaalsContact CA-O 3.26Å; F12-N445 WeakPolarHBondContact CA-O 3.41Å
13K48.7Very low44.8Very low29 Ų2981.7 Ų81.713%0.12641%0.405CS..EExtended strand (participates in β ladder)trans-110.4-30.7-168.6-65.9-156.6-179154.70115.4V11 R392 L393 N445 R447V11-K13 WeakPolarHBondContact O-CG 3.4Å; V11-K13 PolarHBondContact O-N 2.99Å; K13-R392 CarbonylContact O-C 3.52Å; K13-L393 HydrophobicContact CB-CG 4.47Å; K13-L393 HydrophobicContact CD-CD1 4.06Å; K13-L393 HydrophobicContact CD-CD2 4.06Å; K13-L393 HydrophobicContact CD-CG 3.88Å; K13-L393 HydrophobicContact CG-CD2 3.83Å; K13-L393 HydrophobicContact CG-CG 3.84Å; K13-N445 PolarHBondContact N-O 3.07Å; K13-R447 HydrophobicContact CB-CB 4.33Å; K13-R447 HydrophobicContact CD-CB 3.95Å; K13-R447 WeakPolarHBondContact CD-O 3.37Å; K13-R447 WeakPolarHBondContact CE-O 3.27Å; K13-R447 HydrophobicContact CG-CB 4.31Å; K13-R447 PolarHBondContact NZ-O 2.88Å
14R48.7Very low47.1Very low75 Ų7580.6 Ų80.628%0.28339%0.394SS..EExtended strand (participates in β ladder)trans-125.7132.9-171.5-146.6176.8-172.8-176.51.4111.2Y391 F444 N445R14-Y391 HydrophobicContact CG-CD1 3.65Å; R14-Y391 HydrophobicContact CG-CE1 4.27Å; R14-Y391 VanDerWaalsContact NE-CD1 3.31Å; R14-F444 VanDerWaalsContact O-CA 3.28Å; R14-F444 WeakPolarHBondContact O-CA 3.4Å; R14-N445 WeakPolarHBondContact CB-OD1 3.23Å; R14-N445 PolarHBondContact N-OD1 3.39Å; R14-N445 PolarHBondContact O-N 3.44Å
15I53.6Low50Low4 Ų480.2 Ų80.22%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-109.2121.9178.2-54178000107.6V387 A388 L394 F442 I443 F444I15-V387 HydrophobicContact CD1-CB 4.18Å; I15-V387 HydrophobicContact CD1-CG1 3.9Å; I15-A388 HydrophobicContact CB-CB 3.84Å; I15-A388 HydrophobicContact CD1-CB 4.24Å; I15-A388 HydrophobicContact CG2-CB 3.36Å; I15-L394 HydrophobicContact CD1-CD2 3.75Å; I15-L394 HydrophobicContact CD1-CG 4.41Å; I15-F442 HydrophobicContact CG2-CB 4.32Å; I15-F442 HydrophobicContact CG2-CD1 3.54Å; I15-F442 HydrophobicContact CG2-CE1 4.37Å; I15-F442 HydrophobicContact CG2-CG 4.41Å; I15-I443 CarbonylContact C-O 3.55Å; I15-I443 VanDerWaalsContact CA-O 3.28Å; I15-I443 WeakPolarHBondContact CA-O 3.31Å; I15-F444 HydrophobicContact CB-CE1 4.5Å; I15-F444 HydrophobicContact CD1-CD1 4.41Å; I15-F444 HydrophobicContact CD1-CE1 3.78Å; I15-F444 HydrophobicContact CG1-CD1 3.77Å; I15-F444 HydrophobicContact CG1-CE1 3.59Å; I15-F444 HydrophobicContact CG2-CE1 4.32Å
16F52.1Low52.9Low54 Ų5477.8 Ų77.824%0.23737%0.374CS..EExtended strand (participates in β ladder)trans-98.1125.6160.2-132.4-96.6000108.2I18 E69 F442 I443F16-I18 HydrophobicContact CD1-CG1 4.46Å; F16-E69 HydrophobicContact CD1-CG 4.29Å; F16-E69 HydrophobicContact CD2-CG 4.27Å; F16-E69 HydrophobicContact CE1-CG 3.79Å; F16-E69 HydrophobicContact CE2-CB 4.36Å; F16-E69 HydrophobicContact CE2-CG 3.77Å; F16-E69 VanDerWaalsContact CZ-CD 3.46Å; F16-E69 HydrophobicContact CZ-CG 3.51Å; F16-E69 WeakPolarHBondContact CZ-OE1 3.35Å; F16-F442 WeakPolarHBondContact O-CA 3.35Å; F16-I443 HydrophobicContact CB-CB 4.29Å; F16-I443 PolarHBondContact N-O 3.41Å; F16-I443 PolarHBondContact O-N 3.19Å
17H50.3Low55.7Low52 Ų5273.1 Ų73.124%0.24135%0.346CS..EExtended strand (participates in β ladder)trans-111.7119.5-178.8173.578.7000108.9S385 A388 N440 F442H17-S385 PolarHBondContact CE1-OG 3.14Å; H17-A388 HydrophobicContact CB-CB 3.92Å; H17-N440 PolarHBondContact CE1-OD1 3.46Å; H17-F442 HydrophobicContact CB-CD1 4.45Å; H17-F442 HydrophobicContact CB-CE1 4.37Å; H17-F442 AromaticContact ND1-CD1 3.97Å; H17-F442 AromaticContact ND1-CE1 3.31Å; H17-F442 VanDerWaalsContact ND1-CE1 3.31Å; H17-F442 WeakPolarHBondContact ND1-CE1 3.44Å; H17-F442 AromaticContact ND1-CZ 3.62Å
18I58.7Low58.4Low35 Ų3572 Ų7218%0.17934%0.339CS..EExtended strand (participates in β ladder)trans-109.8108.6173-56.1178.5000107.4F16 F53 L441F16-I18 HydrophobicContact CD1-CG1 4.46Å; I18-F53 HydrophobicContact CD1-CD1 3.52Å; I18-F53 HydrophobicContact CD1-CE1 3.34Å; I18-F53 HydrophobicContact CD1-CG 4.44Å; I18-F53 HydrophobicContact CD1-CZ 4.14Å; I18-F53 HydrophobicContact CG1-CE1 4.49Å; I18-F53 HydrophobicContact CG2-CE1 4.02Å; I18-F53 HydrophobicContact CG2-CZ 4.41Å; I18-L441 PolarHBondContact N-O 3.1Å
19N52.6Low60.7Low91 Ų9164.2 Ų64.249%0.48731%0.305SS..EExtended strand (participates in β ladder)trans-89.2119.5176.6-162.3-43.9000109.5
20K45.9Very low63.1Low40 Ų4063.3 Ų63.317%0.17430%0.301CS..  trans-85.5116.2162.5-79.7-175.1175.1176.60107.9D45 N439K20-D45 IonicContact NZ-OD2 2.62Å; K20-D45 PolarHBondContact NZ-OD2 3.05Å; K20-N439 PolarHBondContact O-ND2 3.2Å
21F36Very low65.3Low192 Ų19263.4 Ų63.484%0.84230%0.302SS*.SBendtrans-37.6135.2-176.6-81.3-89.8000115
22M40.2Very low67.7Low134 Ų13461.3 Ų61.366%0.6629%0.289SS*.SBendtrans54.5129.4177.2-83.3-166.815000115.8R24M22-R24 HydrophobicContact CB-CG 4.21Å; M22-R24 PolarHBondContact O-N 3.29Å
23H55.6Low69.8Low153 Ų15362.6 Ų62.671%0.70830%0.296SS*.  trans-63.581171.5-74.9-71.7000111.1N439H23-N439 PolarHBondContact CE1-OD1 3.16Å; H23-N439 VanDerWaalsContact CE1-OD1 3.3Å; H23-N439 PolarHBondContact ND1-OD1 3.35Å
24R74.5Confident72.1Confident158 Ų15862 Ų6260%0.59629%0.293SS*.  trans-107.7140.2169.2-54.7-175.8-178.5-170.21.9108.1M22 P26 D27M22-R24 HydrophobicContact CB-CG 4.21Å; M22-R24 PolarHBondContact O-N 3.29Å; R24-P26 VanDerWaalsContact O-N 3.16Å; R24-D27 PolarHBondContact O-N 3Å
25I83.9Confident74.5Confident130 Ų13059 Ų5967%0.66728%0.282SS*.G310 helixtrans-48.7-40.4179.7-62.7171.1000112.8D27 V28 K46I25-D27 PolarHBondContact O-N 3.16Å; I25-V28 WeakPolarHBondContact O-CB 2.96Å; I25-V28 WeakPolarHBondContact O-CG2 2.9Å; I25-V28 PolarHBondContact O-N 3.07Å; I25-K46 HydrophobicContact CG2-CD 4.12Å; I25-K46 WeakPolarHBondContact O-CB 3.23Å
26P91.6Very high76.5Confident59 Ų5963.3 Ų63.338%0.38330%0.302SS..G310 helixtrans-63.7-22.9177.8-24.336.2000114.9R24 V28 D45 G47 R49R24-P26 VanDerWaalsContact O-N 3.16Å; P26-V28 VanDerWaalsContact C-N 3.35Å; P26-D45 WeakPolarHBondContact O-CB 3.24Å; P26-G47 PolarHBondContact O-N 3.36Å; P26-R49 VanDerWaalsContact C-NH2 3.27Å; P26-R49 PolarHBondContact O-NH2 2.92Å
27D90.4Very high78.6Confident17 Ų1763.9 Ų63.99%0.09131%0.308CS..G310 helixtrans-86-5.4-178.8-62.8-63.4000113.4R24 I25 I29 R49 N439R24-D27 PolarHBondContact O-N 3Å; I25-D27 PolarHBondContact O-N 3.16Å; D27-I29 PolarHBondContact O-N 3.1Å; D27-R49 VanDerWaalsContact CA-NH2 3.35Å; D27-R49 IonicContact OD1-CZ 3.85Å; D27-R49 IonicContact OD1-NH1 2.89Å; D27-R49 PolarHBondContact OD1-NH1 3.05Å; D27-R49 IonicContact OD1-NH2 3.88Å; D27-R49 PolarHBondContact OD1-NH2 2.86Å; D27-N439 HydrophobicContact CB-CB 4.08Å; D27-N439 WeakPolarHBondContact O-CA 3.38Å; D27-N439 VanDerWaalsContact O-CB 3.29Å; D27-N439 WeakPolarHBondContact O-CB 3.46Å
28V94.5Very high80.7Confident40 Ų4061.4 Ų61.424%0.24230%0.296CS..SBendtrans-66.5122.4177.11770000109.8I25 P26 D45 K46I25-V28 WeakPolarHBondContact O-CB 2.96Å; I25-V28 WeakPolarHBondContact O-CG2 2.9Å; I25-V28 PolarHBondContact O-N 3.07Å; P26-V28 VanDerWaalsContact C-N 3.35Å; V28-D45 CarbonylContact O-C 3.59Å; V28-D45 VanDerWaalsContact O-CA 3.29Å; V28-D45 WeakPolarHBondContact O-CA 3.39Å; V28-D45 WeakPolarHBondContact O-CB 3.38Å; V28-K46 HydrophobicContact CB-CD 4.1Å; V28-K46 HydrophobicContact CB-CG 4.11Å; V28-K46 HydrophobicContact CG1-CD 4.38Å; V28-K46 HydrophobicContact CG1-CG 4.46Å; V28-K46 PolarHBondContact O-N 3.42Å
29I96.7Very high82.5Confident10 Ų1061.4 Ų61.45%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-68.9129.9177.4-62.1169.9000108.9D27 C31 I32 T43 G44 A436 T438 L441D27-I29 PolarHBondContact O-N 3.1Å; I29-C31 WeakPolarHBondContact CG2-O 3.27Å; I29-I32 HydrophobicContact CG2-CG1 3.9Å; I29-T43 HydrophobicContact CD1-CG2 4.47Å; I29-T43 HydrophobicContact CG2-CG2 4.34Å; I29-G44 WeakPolarHBondContact CA-O 3.5Å; I29-A436 HydrophobicContact CB-CB 3.79Å; I29-A436 HydrophobicContact CD1-CB 4.09Å; I29-A436 HydrophobicContact CG2-CB 3.63Å; I29-T438 PolarHBondContact N-O 2.77Å; I29-L441 HydrophobicContact CD1-CB 3.92Å
30S97.5Very high84.6Confident6 Ų657.3 Ų57.34%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-119.3-7.3-17555.40000114G44 I95 H423S30-G44 PolarHBondContact N-O 2.96Å; S30-G44 PolarHBondContact OG-O 3.14Å; S30-I95 VanDerWaalsContact CB-O 3.32Å; S30-I95 WeakPolarHBondContact CB-O 3.48Å; S30-I95 PolarHBondContact OG-O 3.15Å; S30-H423 PolarHBondContact O-CE1 3.17Å; S30-H423 PolarHBondContact O-NE2 2.84Å; S30-H423 VanDerWaalsContact O-NE2 3.14Å
31C97.9Very high87.1Confident3 Ų355.4 Ų55.42%0.0227%0.265CS..EExtended strand (participates in β ladder)trans-163157.9166.358.70000110.8I29 T43 G44I29-C31 WeakPolarHBondContact CG2-O 3.27Å; C31-T43 WeakPolarHBondContact O-CA 3.5Å; C31-G44 PolarHBondContact N-O 2.67Å; C31-G44 PolarHBondContact O-N 2.84Å
32I98Very high90Very high2 Ų246.2 Ų46.21%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-139.1140.1178-46.8172.3000107.7I29 L41 A42 T43 H423 V425 A436 L441I29-I32 HydrophobicContact CG2-CG1 3.9Å; I32-L41 HydrophobicContact CG2-CD1 3.47Å; I32-L41 VanDerWaalsContact CG2-CD1 3.47Å; I32-L41 HydrophobicContact CG2-CG 4.28Å; I32-A42 CarbonylContact C-O 3.55Å; I32-A42 WeakPolarHBondContact CA-O 3.44Å; I32-T43 HydrophobicContact CG1-CG2 4.27Å; I32-T43 HydrophobicContact CG2-CG2 4.19Å; I32-H423 HydrophobicContact CD1-CB 4.02Å; I32-H423 WeakPolarHBondContact CD1-O 3.46Å; I32-H423 HydrophobicContact CG1-CB 4.01Å; I32-V425 HydrophobicContact CB-CG1 4Å; I32-V425 HydrophobicContact CB-CG2 4.25Å; I32-V425 HydrophobicContact CG2-CG1 4.12Å; I32-V425 HydrophobicContact CG2-CG2 3.53Å; I32-V425 VanDerWaalsContact O-CG1 3.25Å; I32-V425 WeakPolarHBondContact O-CG1 3.47Å; I32-A436 HydrophobicContact CD1-CB 3.53Å; I32-A436 HydrophobicContact CG1-CB 4.2Å; I32-L441 HydrophobicContact CD1-CD1 3.88Å; I32-L441 HydrophobicContact CG1-CD1 4.48Å; I32-L441 HydrophobicContact CG2-CD1 4.45Å
33E98.3Very high92.8Very high31 Ų3139.9 Ų39.915%0.14519%0.194CC..EExtended strand (participates in β ladder)trans-153.6124.2177.2-168.980.6172.600111.4A42 I98 R99 W100E33-A42 PolarHBondContact N-O 3.33Å; E33-A42 PolarHBondContact O-N 3.15Å; E33-I98 HydrophobicContact CB-CB 4.35Å; E33-I98 HydrophobicContact CB-CG2 4.29Å; E33-R99 IonicContact OE1-CZ 3.54Å; E33-R99 IonicContact OE1-NH1 3.2Å; E33-R99 PolarHBondContact OE1-NH1 2.77Å; E33-R99 IonicContact OE2-CZ 3.92Å; E33-R99 IonicContact OE2-NH1 2.79Å; E33-R99 PolarHBondContact OE2-NH1 3.2Å; E33-W100 PolarHBondContact O-NE1 3.12Å
34F98.2Very high94.8Very high17 Ų1732.6 Ų32.68%0.07516%0.16CC..EExtended strand (participates in β ladder)trans-72.3146165.9-80.8-71.9000110.9L40 L41 Y70 W100 V425 H427 I432 A434F34-L40 CarbonylContact C-O 3.46Å; F34-L40 WeakPolarHBondContact CA-O 3.11Å; F34-L41 HydrophobicContact CD1-CB 3.99Å; F34-L41 HydrophobicContact CD1-CD1 3.81Å; F34-L41 HydrophobicContact CD1-CG 4.43Å; F34-L41 HydrophobicContact CD2-CD1 4Å; F34-L41 HydrophobicContact CE1-CB 3.83Å; F34-L41 HydrophobicContact CE1-CD1 3.8Å; F34-L41 HydrophobicContact CE1-CD2 4.17Å; F34-L41 HydrophobicContact CE1-CG 4.15Å; F34-L41 HydrophobicContact CE2-CD1 4.01Å; F34-L41 HydrophobicContact CG-CD1 3.9Å; F34-L41 HydrophobicContact CZ-CD1 3.9Å; F34-L41 HydrophobicContact CZ-CD2 4.14Å; F34-L41 HydrophobicContact CZ-CG 4.44Å; F34-Y70 AromaticContact CE1-CE1 3.94Å; F34-Y70 HydrophobicContact CE1-CE1 3.94Å; F34-Y70 AromaticContact CE1-CZ 3.75Å; F34-W100 VanDerWaalsContact C-CD1 3.45Å; F34-V425 HydrophobicContact CD2-CB 4.07Å; F34-V425 HydrophobicContact CD2-CG2 3.57Å; F34-V425 HydrophobicContact CE2-CB 4.35Å; F34-V425 HydrophobicContact CE2-CG2 3.55Å; F34-H427 HydrophobicContact CD2-CB 4.4Å; F34-H427 AromaticContact CE1-CD2 3.98Å; F34-H427 HydrophobicContact CE2-CB 4.05Å; F34-H427 HydrophobicContact CZ-CB 4.17Å; F34-I432 HydrophobicContact CZ-CG2 4.32Å; F34-A434 HydrophobicContact CE2-CB 4.36Å; F34-A434 HydrophobicContact CZ-CB 4.4Å
35N97.6Very high95.9Very high10 Ų1025.1 Ų25.15%0.05313%0.132CC..  trans-72.4172.8163.874.7-25.5000110.5D37 G38 E39 L40 W100N35-D37 VanDerWaalsContact C-N 3.27Å; N35-D37 PolarHBondContact ND2-OD1 2.86Å; N35-D37 PolarHBondContact O-N 3.41Å; N35-D37 PolarHBondContact OD1-OD1 3.03Å; N35-G38 PolarHBondContact O-N 2.75Å; N35-G38 VanDerWaalsContact OD1-CA 3.31Å; N35-G38 WeakPolarHBondContact OD1-CA 3.37Å; N35-G38 PolarHBondContact OD1-N 2.8Å; N35-E39 PolarHBondContact OD1-N 2.88Å; N35-E39 VanDerWaalsContact OD1-N 3.09Å; N35-L40 HydrophobicContact CB-CB 4.11Å; N35-L40 PolarHBondContact N-O 3.26Å; N35-L40 PolarHBondContact OD1-N 3.13Å; N35-L40 PolarHBondContact OD1-O 2.78Å; N35-W100 VanDerWaalsContact CA-CD1 3.46Å; N35-W100 HydrophobicContact CB-CB 4.28Å; N35-W100 HydrophobicContact CB-CD2 3.61Å; N35-W100 HydrophobicContact CB-CE3 4.09Å; N35-W100 HydrophobicContact CB-CG 3.71Å; N35-W100 HydrophobicContact CB-CZ2 4.31Å
36H96.2Very high96.6Very high96 Ų9623.2 Ų23.244%0.44412%0.119SC..THydrogen-bonded Turntrans-62.6-26.4-169.7-66.185000115.3W100 L101 R102H36-W100 PolarHBondContact CE1-O 2.78Å; H36-L101 VanDerWaalsContact CE1-C 3.42Å; H36-L101 PolarHBondContact ND1-O 3.16Å; H36-R102 PolarHBondContact CE1-N 2.71Å; H36-R102 WeakPolarHBondContact NE2-CG 3.45Å
37D95.1Very high96.8Very high65 Ų6520.6 Ų20.635%0.34810%0.103SC..THydrogen-bonded Turntrans-101.3-1.7176.558.221.7000112.6N35 E39N35-D37 VanDerWaalsContact C-N 3.27Å; N35-D37 PolarHBondContact ND2-OD1 2.86Å; N35-D37 PolarHBondContact O-N 3.41Å; N35-D37 PolarHBondContact OD1-OD1 3.03Å; D37-E39 HydrophobicContact CB-CG 4.41Å; D37-E39 PolarHBondContact O-N 3.06Å; D37-E39 VanDerWaalsContact OD1-CB 3.3Å; D37-E39 WeakPolarHBondContact OD1-CB 3.48Å; D37-E39 WeakPolarHBondContact OD1-CG 3.49Å; D37-E39 PolarHBondContact OD1-N 2.52Å
38G95.8Very high97.2Very high0 Ų019.8 Ų19.80%010%0.098CC..SBendtrans70.62.5-179.100000115.5N35 L40 Y70 H427N35-G38 PolarHBondContact O-N 2.75Å; N35-G38 VanDerWaalsContact OD1-CA 3.31Å; N35-G38 WeakPolarHBondContact OD1-CA 3.37Å; N35-G38 PolarHBondContact OD1-N 2.8Å; G38-L40 VanDerWaalsContact C-N 3.25Å; G38-L40 PolarHBondContact O-N 3.01Å; G38-Y70 WeakPolarHBondContact O-CE1 3.47Å; G38-Y70 PolarHBondContact O-OH 2.96Å; G38-H427 WeakPolarHBondContact CA-NE2 3.31Å; G38-H427 PolarHBondContact O-NE2 2.7Å
39E95.1Very high97.3Very high36 Ų3620.8 Ų20.817%0.16810%0.098CC..SBendtrans-69.2-25.4177.7-64.7-64.3153.400112.6N35 D37 Q54 R55 R66N35-E39 PolarHBondContact OD1-N 2.88Å; N35-E39 VanDerWaalsContact OD1-N 3.09Å; D37-E39 HydrophobicContact CB-CG 4.41Å; D37-E39 PolarHBondContact O-N 3.06Å; D37-E39 VanDerWaalsContact OD1-CB 3.3Å; D37-E39 WeakPolarHBondContact OD1-CB 3.48Å; D37-E39 WeakPolarHBondContact OD1-CG 3.49Å; D37-E39 PolarHBondContact OD1-N 2.52Å; E39-Q54 WeakPolarHBondContact O-CA 3.36Å; E39-R55 PolarHBondContact O-N 3.29Å; E39-R66 IonicContact OE1-CZ 3.17Å; E39-R66 VanDerWaalsContact OE1-CZ 3.22Å; E39-R66 IonicContact OE1-NH1 2.79Å; E39-R66 PolarHBondContact OE1-NH1 3.28Å; E39-R66 IonicContact OE1-NH2 2.66Å; E39-R66 PolarHBondContact OE1-NH2 3.34Å; E39-R66 IonicContact OE2-CZ 2.73Å; E39-R66 IonicContact OE2-NH1 3.15Å; E39-R66 IonicContact OE2-NH2 3.6Å; E39-R66 PolarHBondContact OE2-NH2 3.15Å
40L97.2Very high97.4Very high4 Ų420.3 Ų20.32%0.02110%0.095CC..EExtended strand (participates in β ladder)trans-117.9137176.6-56.1177.8000111F34 N35 G38 I52 F53 Q54 Y73 W100 N108F34-L40 CarbonylContact C-O 3.46Å; F34-L40 WeakPolarHBondContact CA-O 3.11Å; N35-L40 HydrophobicContact CB-CB 4.11Å; N35-L40 PolarHBondContact N-O 3.26Å; N35-L40 PolarHBondContact OD1-N 3.13Å; N35-L40 PolarHBondContact OD1-O 2.78Å; G38-L40 VanDerWaalsContact C-N 3.25Å; G38-L40 PolarHBondContact O-N 3.01Å; L40-I52 HydrophobicContact CB-CG2 4.11Å; L40-I52 HydrophobicContact CD1-CG2 4.39Å; L40-I52 HydrophobicContact CD2-CG2 4.11Å; L40-I52 HydrophobicContact CG-CG2 4.44Å; L40-F53 CarbonylContact C-O 3.58Å; L40-F53 VanDerWaalsContact CA-O 3.26Å; L40-F53 WeakPolarHBondContact CA-O 3.28Å; L40-Q54 HydrophobicContact CD2-CB 3.61Å; L40-Q54 HydrophobicContact CD2-CG 3.75Å; L40-Y73 HydrophobicContact CD2-CD1 4.09Å; L40-Y73 HydrophobicContact CD2-CE1 4.34Å; L40-Y73 HydrophobicContact CD2-CG 4.38Å; L40-W100 HydrophobicContact CB-CH2 3.94Å; L40-W100 HydrophobicContact CB-CZ2 3.89Å; L40-W100 HydrophobicContact CD1-CH2 3.7Å; L40-W100 HydrophobicContact CD1-CZ2 4.48Å; L40-W100 HydrophobicContact CD1-CZ3 3.99Å; L40-W100 HydrophobicContact CG-CH2 4.48Å; L40-N108 HydrophobicContact CD1-CB 4.23Å
41L98.1Very high97.4Very high0 Ų020.2 Ų20.20%09%0.094CC..EExtended strand (participates in β ladder)trans-120.4118.5173.1179.159.9000108.3I32 F34 I52 F53 Y70 V425 A434 L441 I443I32-L41 HydrophobicContact CG2-CD1 3.47Å; I32-L41 VanDerWaalsContact CG2-CD1 3.47Å; I32-L41 HydrophobicContact CG2-CG 4.28Å; F34-L41 HydrophobicContact CD1-CB 3.99Å; F34-L41 HydrophobicContact CD1-CD1 3.81Å; F34-L41 HydrophobicContact CD1-CG 4.43Å; F34-L41 HydrophobicContact CD2-CD1 4Å; F34-L41 HydrophobicContact CE1-CB 3.83Å; F34-L41 HydrophobicContact CE1-CD1 3.8Å; F34-L41 HydrophobicContact CE1-CD2 4.17Å; F34-L41 HydrophobicContact CE1-CG 4.15Å; F34-L41 HydrophobicContact CE2-CD1 4.01Å; F34-L41 HydrophobicContact CG-CD1 3.9Å; F34-L41 HydrophobicContact CZ-CD1 3.9Å; F34-L41 HydrophobicContact CZ-CD2 4.14Å; F34-L41 HydrophobicContact CZ-CG 4.44Å; L41-I52 CarbonylContact O-C 3.59Å; L41-I52 WeakPolarHBondContact O-CA 3.43Å; L41-F53 HydrophobicContact CB-CB 4.44Å; L41-F53 PolarHBondContact N-O 3.26Å; L41-F53 WeakPolarHBondContact O-CD2 2.9Å; L41-F53 PolarHBondContact O-N 2.87Å; L41-Y70 HydrophobicContact CB-CD1 4.02Å; L41-Y70 HydrophobicContact CB-CE1 4.15Å; L41-V425 HydrophobicContact CD1-CG2 4.02Å; L41-A434 HydrophobicContact CD1-CB 4.39Å; L41-A434 HydrophobicContact CD2-CB 3.72Å; L41-L441 HydrophobicContact CD2-CD2 3.89Å; L41-I443 HydrophobicContact CD2-CD1 3.98Å; L41-I443 HydrophobicContact CD2-CG1 4.35Å
42A98.5Very high97.4Very high0 Ų020.1 Ų20.10%09%0.093CC..EExtended strand (participates in β ladder)trans-99.6141.9174.900000111I32 E33 V51 I52 I98 W100I32-A42 CarbonylContact C-O 3.55Å; I32-A42 WeakPolarHBondContact CA-O 3.44Å; E33-A42 PolarHBondContact N-O 3.33Å; E33-A42 PolarHBondContact O-N 3.15Å; A42-V51 CarbonylContact C-O 3.57Å; A42-V51 WeakPolarHBondContact CA-O 2.95Å; A42-I52 HydrophobicContact CB-CG1 4.36Å; A42-I98 HydrophobicContact CB-CD1 4.16Å; A42-I98 HydrophobicContact CB-CG2 4.06Å; A42-W100 HydrophobicContact CB-CZ2 3.63Å
43T98.5Very high97.4Very high1 Ų120.2 Ų20.21%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-122.3143.3164.762.90000110.4I29 C31 I32 V50 V51 F53 L441I29-T43 HydrophobicContact CD1-CG2 4.47Å; I29-T43 HydrophobicContact CG2-CG2 4.34Å; C31-T43 WeakPolarHBondContact O-CA 3.5Å; I32-T43 HydrophobicContact CG1-CG2 4.27Å; I32-T43 HydrophobicContact CG2-CG2 4.19Å; T43-V50 WeakPolarHBondContact O-CA 3.17Å; T43-V51 PolarHBondContact N-O 2.8Å; T43-V51 PolarHBondContact O-N 3.38Å; T43-F53 HydrophobicContact CG2-CE2 4.04Å; T43-L441 HydrophobicContact CG2-CD1 4.11Å; T43-L441 HydrophobicContact CG2-CD2 3.9Å
44G98.3Very high97.2Very high0 Ų020.8 Ų20.80%010%0.096CC..EExtended strand (participates in β ladder)trans-108149166.100000110I29 S30 C31 R49I29-G44 WeakPolarHBondContact CA-O 3.5Å; S30-G44 PolarHBondContact N-O 2.96Å; S30-G44 PolarHBondContact OG-O 3.14Å; C31-G44 PolarHBondContact N-O 2.67Å; C31-G44 PolarHBondContact O-N 2.84Å; G44-R49 WeakPolarHBondContact CA-O 3.45Å
45D97.2Very high96.9Very high0 Ų020 Ų200%09%0.093CC..EExtended strand (participates in β ladder)trans-122168.9175.561.741000113.8K20 P26 V28 G47 G48 R49 I95K20-D45 IonicContact NZ-OD2 2.62Å; K20-D45 PolarHBondContact NZ-OD2 3.05Å; P26-D45 WeakPolarHBondContact O-CB 3.24Å; V28-D45 CarbonylContact O-C 3.59Å; V28-D45 VanDerWaalsContact O-CA 3.29Å; V28-D45 WeakPolarHBondContact O-CA 3.39Å; V28-D45 WeakPolarHBondContact O-CB 3.38Å; D45-G47 PolarHBondContact O-N 3.11Å; D45-G47 VanDerWaalsContact OD1-C 3.32Å; D45-G47 WeakPolarHBondContact OD1-CA 3.22Å; D45-G47 PolarHBondContact OD1-N 3Å; D45-G48 PolarHBondContact O-N 3.38Å; D45-G48 PolarHBondContact OD1-N 3.47Å; D45-R49 PolarHBondContact N-O 3.26Å; D45-R49 VanDerWaalsContact N-O 3.09Å; D45-R49 WeakPolarHBondContact OD1-CB 3.31Å; D45-R49 IonicContact OD1-CZ 3.25Å; D45-R49 PolarHBondContact OD1-N 3.36Å; D45-R49 IonicContact OD1-NE 3.05Å; D45-R49 PolarHBondContact OD1-NE 3.42Å; D45-R49 IonicContact OD1-NH2 3.06Å; D45-R49 IonicContact OD2-CZ 3.24Å; D45-R49 VanDerWaalsContact OD2-CZ 3.25Å; D45-R49 IonicContact OD2-NE 3.6Å; D45-R49 PolarHBondContact OD2-NE 3.43Å; D45-R49 IonicContact OD2-NH2 3.22Å; D45-R49 PolarHBondContact OD2-NH2 2.96Å; D45-I95 PolarHBondContact O-N 3.14Å; D45-I95 VanDerWaalsContact O-N 3.14Å
46K97.2Very high96.5Very high91 Ų9120.7 Ų20.740%0.39610%0.097SC..THydrogen-bonded Turntrans-61.3-25.2177.5-73.5-161.6173.7-168.70113.1I25 V28 G48 K94I25-K46 HydrophobicContact CG2-CD 4.12Å; I25-K46 WeakPolarHBondContact O-CB 3.23Å; V28-K46 HydrophobicContact CB-CD 4.1Å; V28-K46 HydrophobicContact CB-CG 4.11Å; V28-K46 HydrophobicContact CG1-CD 4.38Å; V28-K46 HydrophobicContact CG1-CG 4.46Å; V28-K46 PolarHBondContact O-N 3.42Å; K46-G48 VanDerWaalsContact C-N 3.26Å; K46-G48 PolarHBondContact O-N 3.29Å; K46-K94 HydrophobicContact CG-CD 4.14Å; K46-K94 HydrophobicContact CG-CG 4.32Å; K46-K94 WeakPolarHBondContact O-CA 3.34Å; K46-K94 PolarHBondContact O-N 2.91Å
47G96.7Very high95.8Very high4 Ų421.4 Ų21.44%0.04110%0.1CC..THydrogen-bonded Turntrans-87.219.4176.200000114.2P26 D45 R49 Q77 E93P26-G47 PolarHBondContact O-N 3.36Å; D45-G47 PolarHBondContact O-N 3.11Å; D45-G47 VanDerWaalsContact OD1-C 3.32Å; D45-G47 WeakPolarHBondContact OD1-CA 3.22Å; D45-G47 PolarHBondContact OD1-N 3Å; G47-R49 VanDerWaalsContact C-N 3.26Å; G47-R49 PolarHBondContact O-N 3.18Å; G47-Q77 PolarHBondContact O-NE2 3.29Å; G47-E93 VanDerWaalsContact C-CD 3.43Å; G47-E93 VanDerWaalsContact CA-OE1 3.31Å; G47-E93 WeakPolarHBondContact CA-OE1 3.4Å
48G97.8Very high95Very high0 Ų021.1 Ų21.10%010%0.104CC..SBendtrans72.210.6172.700000116.1D45 K46 Q77 S78 H79 E93D45-G48 PolarHBondContact O-N 3.38Å; D45-G48 PolarHBondContact OD1-N 3.47Å; K46-G48 VanDerWaalsContact C-N 3.26Å; K46-G48 PolarHBondContact O-N 3.29Å; G48-Q77 VanDerWaalsContact C-NE2 3.33Å; G48-Q77 PolarHBondContact O-NE2 3.47Å; G48-S78 WeakPolarHBondContact O-CA 3.43Å; G48-S78 WeakPolarHBondContact O-CB 3.22Å; G48-S78 PolarHBondContact O-N 3.28Å; G48-H79 PolarHBondContact O-N 3.5Å; G48-H79 VanDerWaalsContact O-N 3.07Å; G48-E93 WeakPolarHBondContact CA-O 3.49Å
49R98.1Very high93.8Very high61 Ų6126.7 Ų26.723%0.2313%0.133CC..EExtended strand (participates in β ladder)trans-92.5147.6179.2-60.6160.5-64.5176.4-1.2110.9P26 D27 G44 D45 G47 F76P26-R49 VanDerWaalsContact C-NH2 3.27Å; P26-R49 PolarHBondContact O-NH2 2.92Å; D27-R49 VanDerWaalsContact CA-NH2 3.35Å; D27-R49 IonicContact OD1-CZ 3.85Å; D27-R49 IonicContact OD1-NH1 2.89Å; D27-R49 PolarHBondContact OD1-NH1 3.05Å; D27-R49 IonicContact OD1-NH2 3.88Å; D27-R49 PolarHBondContact OD1-NH2 2.86Å; G44-R49 WeakPolarHBondContact CA-O 3.45Å; D45-R49 PolarHBondContact N-O 3.26Å; D45-R49 VanDerWaalsContact N-O 3.09Å; D45-R49 WeakPolarHBondContact OD1-CB 3.31Å; D45-R49 IonicContact OD1-CZ 3.25Å; D45-R49 PolarHBondContact OD1-N 3.36Å; D45-R49 IonicContact OD1-NE 3.05Å; D45-R49 PolarHBondContact OD1-NE 3.42Å; D45-R49 IonicContact OD1-NH2 3.06Å; D45-R49 IonicContact OD2-CZ 3.24Å; D45-R49 VanDerWaalsContact OD2-CZ 3.25Å; D45-R49 IonicContact OD2-NE 3.6Å; D45-R49 PolarHBondContact OD2-NE 3.43Å; D45-R49 IonicContact OD2-NH2 3.22Å; D45-R49 PolarHBondContact OD2-NH2 2.96Å; G47-R49 VanDerWaalsContact C-N 3.26Å; G47-R49 PolarHBondContact O-N 3.18Å; R49-F76 WeakPolarHBondContact CA-O 3.18Å
50V98.5Very high92.6Very high0 Ų031.3 Ų31.30%015%0.153CC..EExtended strand (participates in β ladder)trans-112.6129.4168174.40000108.4T43 I52 T75 F76 I95 I98T43-V50 WeakPolarHBondContact O-CA 3.17Å; V50-I52 HydrophobicContact CG1-CG1 4.21Å; V50-T75 WeakPolarHBondContact O-CA 3.31Å; V50-F76 HydrophobicContact CB-CD2 4.3Å; V50-F76 HydrophobicContact CB-CE1 3.98Å; V50-F76 HydrophobicContact CB-CE2 3.72Å; V50-F76 HydrophobicContact CB-CZ 3.55Å; V50-F76 HydrophobicContact CG1-CE1 3.81Å; V50-F76 HydrophobicContact CG1-CE2 4.22Å; V50-F76 HydrophobicContact CG1-CZ 3.53Å; V50-F76 HydrophobicContact CG2-CE2 4.09Å; V50-F76 HydrophobicContact CG2-CZ 4.21Å; V50-F76 PolarHBondContact N-O 2.95Å; V50-F76 PolarHBondContact O-N 3.27Å; V50-I95 HydrophobicContact CG2-CG1 4.46Å; V50-I98 HydrophobicContact CG1-CD1 4.1Å; V50-I98 HydrophobicContact CG2-CD1 4.02Å
51V98Very high91.5Very high4 Ų440 Ų402%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-118.5123.8173.3-176.60000108.6A42 T43 F53 V72 T75A42-V51 CarbonylContact C-O 3.57Å; A42-V51 WeakPolarHBondContact CA-O 2.95Å; T43-V51 PolarHBondContact N-O 2.8Å; T43-V51 PolarHBondContact O-N 3.38Å; V51-F53 HydrophobicContact CB-CE2 4.18Å; V51-F53 HydrophobicContact CB-CZ 4.26Å; V51-F53 HydrophobicContact CG1-CD2 4.36Å; V51-F53 HydrophobicContact CG1-CE1 3.93Å; V51-F53 HydrophobicContact CG1-CE2 3.72Å; V51-F53 HydrophobicContact CG1-CZ 3.48Å; V51-F53 VanDerWaalsContact CG1-CZ 3.48Å; V51-V72 HydrophobicContact CG1-CG1 4.32Å; V51-T75 HydrophobicContact CG2-CG2 3.95Å
52I97.9Very high90.1Very high0 Ų042.1 Ų42.10%020%0.198CC..EExtended strand (participates in β ladder)trans-104.7128.7176.5-57.3169.3000107.2L40 L41 A42 V50 Y73 S74 F76 W100 L110 V123L40-I52 HydrophobicContact CB-CG2 4.11Å; L40-I52 HydrophobicContact CD1-CG2 4.39Å; L40-I52 HydrophobicContact CD2-CG2 4.11Å; L40-I52 HydrophobicContact CG-CG2 4.44Å; L41-I52 CarbonylContact O-C 3.59Å; L41-I52 WeakPolarHBondContact O-CA 3.43Å; A42-I52 HydrophobicContact CB-CG1 4.36Å; V50-I52 HydrophobicContact CG1-CG1 4.21Å; I52-Y73 HydrophobicContact CB-CD1 4.26Å; I52-Y73 HydrophobicContact CG2-CD1 3.75Å; I52-Y73 WeakPolarHBondContact O-CA 3.08Å; I52-Y73 WeakPolarHBondContact O-CB 3.2Å; I52-Y73 PolarHBondContact O-N 2.8Å; I52-S74 PolarHBondContact N-O 3.22Å; I52-S74 PolarHBondContact O-N 2.98Å; I52-S74 VanDerWaalsContact O-N 3.11Å; I52-F76 HydrophobicContact CD1-CE1 3.89Å; I52-F76 HydrophobicContact CG1-CE1 4.44Å; I52-W100 HydrophobicContact CD1-CH2 3.89Å; I52-W100 HydrophobicContact CG1-CH2 4.17Å; I52-W100 HydrophobicContact CG1-CZ2 4.46Å; I52-W100 HydrophobicContact CG2-CH2 3.91Å; I52-W100 HydrophobicContact CG2-CZ2 4.21Å; I52-L110 HydrophobicContact CD1-CD2 3.85Å; I52-L110 HydrophobicContact CG1-CD2 4.39Å; I52-V123 HydrophobicContact CD1-CB 4.39Å; I52-V123 HydrophobicContact CD1-CG1 4.15Å; I52-V123 HydrophobicContact CD1-CG2 3.64Å
53F96.6Very high88.6Confident5 Ų547.7 Ų47.72%0.02223%0.228CC..EExtended strand (participates in β ladder)trans-105.8141.8170.5-51.3-92.2000109.4I18 L40 L41 T43 V51 Y70 K71 V72 L441I18-F53 HydrophobicContact CD1-CD1 3.52Å; I18-F53 HydrophobicContact CD1-CE1 3.34Å; I18-F53 HydrophobicContact CD1-CG 4.44Å; I18-F53 HydrophobicContact CD1-CZ 4.14Å; I18-F53 HydrophobicContact CG1-CE1 4.49Å; I18-F53 HydrophobicContact CG2-CE1 4.02Å; I18-F53 HydrophobicContact CG2-CZ 4.41Å; L40-F53 CarbonylContact C-O 3.58Å; L40-F53 VanDerWaalsContact CA-O 3.26Å; L40-F53 WeakPolarHBondContact CA-O 3.28Å; L41-F53 HydrophobicContact CB-CB 4.44Å; L41-F53 PolarHBondContact N-O 3.26Å; L41-F53 WeakPolarHBondContact O-CD2 2.9Å; L41-F53 PolarHBondContact O-N 2.87Å; T43-F53 HydrophobicContact CG2-CE2 4.04Å; V51-F53 HydrophobicContact CB-CE2 4.18Å; V51-F53 HydrophobicContact CB-CZ 4.26Å; V51-F53 HydrophobicContact CG1-CD2 4.36Å; V51-F53 HydrophobicContact CG1-CE1 3.93Å; V51-F53 HydrophobicContact CG1-CE2 3.72Å; V51-F53 HydrophobicContact CG1-CZ 3.48Å; V51-F53 VanDerWaalsContact CG1-CZ 3.48Å; F53-Y70 HydrophobicContact CB-CD1 4.3Å; F53-K71 CarbonylContact C-O 3.53Å; F53-K71 WeakPolarHBondContact CA-O 3.2Å; F53-V72 HydrophobicContact CD1-CG2 3.93Å; F53-V72 HydrophobicContact CE1-CG2 3.63Å; F53-L441 HydrophobicContact CD2-CD2 3.99Å; F53-L441 HydrophobicContact CE2-CD2 3.67Å; F53-L441 HydrophobicContact CZ-CD2 4.15Å
54Q94.7Very high87.3Confident42 Ų4250.8 Ų50.820%0.19626%0.26CS..EExtended strand (participates in β ladder)trans-113.5136174.3-177.9178.756.400109.3E39 L40 Q57 Y70 K71 Y73E39-Q54 WeakPolarHBondContact O-CA 3.36Å; L40-Q54 HydrophobicContact CD2-CB 3.61Å; L40-Q54 HydrophobicContact CD2-CG 3.75Å; Q54-Q57 VanDerWaalsContact NE2-NE2 3.13Å; Q54-Y70 WeakPolarHBondContact O-CA 3.15Å; Q54-K71 PolarHBondContact N-O 2.8Å; Q54-K71 PolarHBondContact O-N 3.01Å; Q54-Y73 HydrophobicContact CB-CD2 3.86Å; Q54-Y73 HydrophobicContact CB-CG 3.82Å; Q54-Y73 HydrophobicContact CG-CD2 4.33Å; Q54-Y73 VanDerWaalsContact OE1-CD2 3.28Å
55R92.5Very high86.1Confident2 Ų252.5 Ų52.51%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-61.5139.2172.7-167.6175.6-178.2173.62.6110E39 Q57 S67 E69 Y70 E430E39-R55 PolarHBondContact O-N 3.29Å; R55-Q57 WeakPolarHBondContact O-CG 3.19Å; R55-Q57 PolarHBondContact O-N 2.75Å; R55-S67 PolarHBondContact NE-O 3.42Å; R55-S67 PolarHBondContact NH2-O 3.38Å; R55-E69 CarbonylContact C-O 3.55Å; R55-E69 WeakPolarHBondContact CA-O 3.32Å; R55-Y70 HydrophobicContact CB-CD1 4.1Å; R55-Y70 HydrophobicContact CB-CE1 3.7Å; R55-Y70 HydrophobicContact CB-CE2 4.27Å; R55-Y70 HydrophobicContact CG-CE1 4.42Å; R55-Y70 HydrophobicContact CG-CE2 4.13Å; R55-E430 IonicContact CZ-OE1 2.96Å; R55-E430 IonicContact CZ-OE2 3.91Å; R55-E430 IonicContact NH1-OE1 2.68Å; R55-E430 PolarHBondContact NH1-OE1 2.97Å; R55-E430 IonicContact NH1-OE2 2.8Å; R55-E430 PolarHBondContact NH1-OE2 2.82Å; R55-E430 IonicContact NH2-OE1 3.7Å; R55-E430 PolarHBondContact NH2-OE1 2.97Å; R55-E430 IonicContact NH2-OE2 2.76Å; R55-E430 PolarHBondContact NH2-OE2 3.23Å
56D88Confident85.3Confident23 Ų2355.9 Ų55.912%0.12329%0.285CS..  trans-53.9116.1178.4-175.94.3000111.4S58 E69D56-S58 WeakPolarHBondContact OD1-CB 3.42Å; D56-S58 PolarHBondContact OD1-N 3.21Å; D56-S58 PolarHBondContact OD1-OG 2.84Å; D56-S58 PolarHBondContact OD2-OG 2.99Å; D56-E69 HydrophobicContact CB-CB 4.5Å; D56-E69 PolarHBondContact N-O 3.36Å
57Q82.5Confident84.6Confident111 Ų11152 Ų5252%0.51927%0.269SS..  trans-89.82.2-179.1-63.2-159.3-100113.7Q54 R55 N59Q54-Q57 VanDerWaalsContact NE2-NE2 3.13Å; R55-Q57 WeakPolarHBondContact O-CG 3.19Å; R55-Q57 PolarHBondContact O-N 2.75Å; Q57-N59 PolarHBondContact O-N 2.84Å
58S77.1Confident83.8Confident60 Ų6052.8 Ų52.842%0.4227%0.273SS..SBendtrans-66.15.1-176.762.60000115D56 K60D56-S58 WeakPolarHBondContact OD1-CB 3.42Å; D56-S58 PolarHBondContact OD1-N 3.21Å; D56-S58 PolarHBondContact OD1-OG 2.84Å; D56-S58 PolarHBondContact OD2-OG 2.99Å; S58-K60 PolarHBondContact O-N 2.96Å; S58-K60 WeakPolarHBondContact OG-CD 3.3Å; S58-K60 VanDerWaalsContact OG-CG 3.29Å; S58-K60 WeakPolarHBondContact OG-CG 3.35Å
59N70.5Confident83.2Confident117 Ų11755.2 Ų55.263%0.62629%0.285SS*.  trans49.324.8-172.4-74.2-25.9000112.8Q57 W61Q57-N59 PolarHBondContact O-N 2.84Å; N59-W61 PolarHBondContact O-N 2.82Å; N59-W61 VanDerWaalsContact O-N 3.15Å
60K70.8Confident82.9Confident133 Ų13352.4 Ų52.458%0.57827%0.274SS*.  trans-68.5114.4173.3-78.1179.5-177178.50108.7S58 S67S58-K60 PolarHBondContact O-N 2.96Å; S58-K60 WeakPolarHBondContact OG-CD 3.3Å; S58-K60 VanDerWaalsContact OG-CG 3.29Å; S58-K60 WeakPolarHBondContact OG-CG 3.35Å; K60-S67 PolarHBondContact O-N 3.03Å; K60-S67 VanDerWaalsContact O-N 3.14Å
61W74Confident82.6Confident186 Ų18657.2 Ų57.271%0.70530%0.295SS*.EExtended strand (participates in β ladder)trans-81.6119.2166.4-70.974.6000107.7N59 G64 S65N59-W61 PolarHBondContact O-N 2.82Å; N59-W61 VanDerWaalsContact O-N 3.15Å; W61-G64 WeakPolarHBondContact CZ3-O 3.3Å; W61-S65 CarbonylContact C-O 3.55Å; W61-S65 WeakPolarHBondContact CA-O 3.32Å
62V68.6Low82.4Confident45 Ų4561.3 Ų61.327%0.27332%0.319SS..EExtended strand (participates in β ladder)trans-112.2114.7175.5-168.10000106.8G64 S65 R447V62-G64 PolarHBondContact O-N 2.77Å; V62-S65 PolarHBondContact N-O 2.92Å; V62-S65 PolarHBondContact O-N 3.14Å; V62-S65 PolarHBondContact O-OG 3.01Å; V62-S65 VanDerWaalsContact O-OG 3.04Å; V62-R447 VanDerWaalsContact CB-NH2 3.32Å; V62-R447 PolarHBondContact O-NH2 2.86Å
63D66.5Low82.2Confident116 Ų11662.5 Ų62.562%0.6232%0.324SS*.THydrogen-bonded Turntrans54.944.9-178.8-50.7-47.6000113.5S65 R447D63-S65 PolarHBondContact O-N 3.31Å; D63-R447 IonicContact OD2-CZ 3.49Å; D63-R447 VanDerWaalsContact OD2-CZ 3.24Å; D63-R447 IonicContact OD2-NH1 3.78Å; D63-R447 PolarHBondContact OD2-NH1 3.05Å; D63-R447 IonicContact OD2-NH2 3.62Å; D63-R447 PolarHBondContact OD2-NH2 2.84Å
64G71Confident82.2Confident66 Ų6662.8 Ų62.868%0.6833%0.327SS*.THydrogen-bonded Turntrans74.49.4177.300000115.1W61 V62W61-G64 WeakPolarHBondContact CZ3-O 3.3Å; V62-G64 PolarHBondContact O-N 2.77Å
65S73.5Confident82.3Confident36 Ų3664.7 Ų64.725%0.25234%0.342SS..EExtended strand (participates in β ladder)trans-127152.3172.966.70000111.3W61 V62 D63W61-S65 CarbonylContact C-O 3.55Å; W61-S65 WeakPolarHBondContact CA-O 3.32Å; V62-S65 PolarHBondContact N-O 2.92Å; V62-S65 PolarHBondContact O-N 3.14Å; V62-S65 PolarHBondContact O-OG 3.01Å; V62-S65 VanDerWaalsContact O-OG 3.04Å; D63-S65 PolarHBondContact O-N 3.31Å
66R80.7Confident82.5Confident72 Ų7265.7 Ų65.727%0.27235%0.346SS..EExtended strand (participates in β ladder)trans-60.8139.4172.1-175.5176176.6-158.2-7.6109.8E39 T68E39-R66 IonicContact OE1-CZ 3.17Å; E39-R66 VanDerWaalsContact OE1-CZ 3.22Å; E39-R66 IonicContact OE1-NH1 2.79Å; E39-R66 PolarHBondContact OE1-NH1 3.28Å; E39-R66 IonicContact OE1-NH2 2.66Å; E39-R66 PolarHBondContact OE1-NH2 3.34Å; E39-R66 IonicContact OE2-CZ 2.73Å; E39-R66 IonicContact OE2-NH1 3.15Å; E39-R66 IonicContact OE2-NH2 3.6Å; E39-R66 PolarHBondContact OE2-NH2 3.15Å; R66-T68 PolarHBondContact O-N 3.31Å
67S81.7Confident83Confident9 Ų968.2 Ų68.26%0.06336%0.357CS..  trans-48.2135176.6-175.30000111.6R55 K60 E69R55-S67 PolarHBondContact NE-O 3.42Å; R55-S67 PolarHBondContact NH2-O 3.38Å; K60-S67 PolarHBondContact O-N 3.03Å; K60-S67 VanDerWaalsContact O-N 3.14Å; S67-E69 WeakPolarHBondContact OG-CB 3.12Å; S67-E69 PolarHBondContact OG-N 3.49Å
68T81.1Confident83.7Confident21 Ų2163.1 Ų63.113%0.12933%0.333CS..  trans-107.217.8174.165.80000111R66 Y70 I432 N445R66-T68 PolarHBondContact O-N 3.31Å; T68-Y70 WeakPolarHBondContact O-CD2 3.3Å; T68-I432 HydrophobicContact CG2-CD1 3.72Å; T68-I432 HydrophobicContact CG2-CG1 4.14Å; T68-N445 HydrophobicContact CG2-CB 3.85Å; T68-N445 WeakPolarHBondContact CG2-ND2 3.43Å; T68-N445 PolarHBondContact OG1-ND2 3.26Å
69E85.6Confident84.7Confident51 Ų5160.3 Ų60.324%0.23831%0.314CS..  trans-77.7128.5175.3-174.5179.7-176.600109F16 R55 D56 S67 K71F16-E69 HydrophobicContact CD1-CG 4.29Å; F16-E69 HydrophobicContact CD2-CG 4.27Å; F16-E69 HydrophobicContact CE1-CG 3.79Å; F16-E69 HydrophobicContact CE2-CB 4.36Å; F16-E69 HydrophobicContact CE2-CG 3.77Å; F16-E69 VanDerWaalsContact CZ-CD 3.46Å; F16-E69 HydrophobicContact CZ-CG 3.51Å; F16-E69 WeakPolarHBondContact CZ-OE1 3.35Å; R55-E69 CarbonylContact C-O 3.55Å; R55-E69 WeakPolarHBondContact CA-O 3.32Å; D56-E69 HydrophobicContact CB-CB 4.5Å; D56-E69 PolarHBondContact N-O 3.36Å; S67-E69 WeakPolarHBondContact OG-CB 3.12Å; S67-E69 PolarHBondContact OG-N 3.49Å; E69-K71 HydrophobicContact CG-CG 4.33Å; E69-K71 WeakPolarHBondContact OE1-CE 3.48Å; E69-K71 IonicContact OE1-NZ 2.73Å; E69-K71 WeakPolarHBondContact OE2-CE 3.37Å; E69-K71 IonicContact OE2-NZ 2.67Å
70Y91.9Very high86Confident1 Ų160.8 Ų60.80%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-109.4128.3173.2-76.2-103.5000108.7F34 G38 L41 F53 Q54 R55 T68 H427 I443F34-Y70 AromaticContact CE1-CE1 3.94Å; F34-Y70 HydrophobicContact CE1-CE1 3.94Å; F34-Y70 AromaticContact CE1-CZ 3.75Å; G38-Y70 WeakPolarHBondContact O-CE1 3.47Å; G38-Y70 PolarHBondContact O-OH 2.96Å; L41-Y70 HydrophobicContact CB-CD1 4.02Å; L41-Y70 HydrophobicContact CB-CE1 4.15Å; F53-Y70 HydrophobicContact CB-CD1 4.3Å; Q54-Y70 WeakPolarHBondContact O-CA 3.15Å; R55-Y70 HydrophobicContact CB-CD1 4.1Å; R55-Y70 HydrophobicContact CB-CE1 3.7Å; R55-Y70 HydrophobicContact CB-CE2 4.27Å; R55-Y70 HydrophobicContact CG-CE1 4.42Å; R55-Y70 HydrophobicContact CG-CE2 4.13Å; T68-Y70 WeakPolarHBondContact O-CD2 3.3Å; Y70-H427 PolarHBondContact OH-CD2 2.98Å; Y70-I443 HydrophobicContact CD2-CD1 3.71Å; Y70-I443 HydrophobicContact CD2-CG2 4.35Å; Y70-I443 HydrophobicContact CG-CD1 3.87Å
71K91.8Very high87.2Confident102 Ų10258.2 Ų58.244%0.44331%0.309SS..EExtended strand (participates in β ladder)trans-113.8151.7-179.7-67.1178.3-177.31670110.1F53 Q54 E69 Y73F53-K71 CarbonylContact C-O 3.53Å; F53-K71 WeakPolarHBondContact CA-O 3.2Å; Q54-K71 PolarHBondContact N-O 2.8Å; Q54-K71 PolarHBondContact O-N 3.01Å; E69-K71 HydrophobicContact CG-CG 4.33Å; E69-K71 WeakPolarHBondContact OE1-CE 3.48Å; E69-K71 IonicContact OE1-NZ 2.73Å; E69-K71 WeakPolarHBondContact OE2-CE 3.37Å; E69-K71 IonicContact OE2-NZ 2.67Å; K71-Y73 PolarHBondContact O-N 3.21Å; K71-Y73 VanDerWaalsContact O-N 3.17Å
72V92.8Very high88.1Confident89 Ų8953 Ų5354%0.53929%0.293SS..EExtended strand (participates in β ladder)trans-58123176.9179.30000109V51 F53V51-V72 HydrophobicContact CG1-CG1 4.32Å; F53-V72 HydrophobicContact CD1-CG2 3.93Å; F53-V72 HydrophobicContact CE1-CG2 3.63Å
73Y94.7Very high89.1Confident26 Ų2655.4 Ų55.410%0.10230%0.299CS..EExtended strand (participates in β ladder)trans-108-40-178.7172.2-105.9000111.5L40 I52 Q54 K71 V123 E125 V166L40-Y73 HydrophobicContact CD2-CD1 4.09Å; L40-Y73 HydrophobicContact CD2-CE1 4.34Å; L40-Y73 HydrophobicContact CD2-CG 4.38Å; I52-Y73 HydrophobicContact CB-CD1 4.26Å; I52-Y73 HydrophobicContact CG2-CD1 3.75Å; I52-Y73 WeakPolarHBondContact O-CA 3.08Å; I52-Y73 WeakPolarHBondContact O-CB 3.2Å; I52-Y73 PolarHBondContact O-N 2.8Å; Q54-Y73 HydrophobicContact CB-CD2 3.86Å; Q54-Y73 HydrophobicContact CB-CG 3.82Å; Q54-Y73 HydrophobicContact CG-CD2 4.33Å; Q54-Y73 VanDerWaalsContact OE1-CD2 3.28Å; K71-Y73 PolarHBondContact O-N 3.21Å; K71-Y73 VanDerWaalsContact O-N 3.17Å; Y73-V123 HydrophobicContact CD1-CG1 4.47Å; Y73-V123 HydrophobicContact CE1-CG1 3.73Å; Y73-E125 HydrophobicContact CE2-CG 4.18Å; Y73-E125 VanDerWaalsContact CE2-OE1 3.28Å; Y73-E125 WeakPolarHBondContact CE2-OE1 3.44Å; Y73-E125 WeakPolarHBondContact OH-CG 3.38Å; Y73-E125 PolarHBondContact OH-OE1 2.85Å; Y73-E125 VanDerWaalsContact OH-OE1 3.12Å; Y73-V166 HydrophobicContact CD1-CG1 4.11Å; Y73-V166 HydrophobicContact CD2-CG2 3.9Å; Y73-V166 HydrophobicContact CE1-CG1 3.6Å; Y73-V166 HydrophobicContact CE1-CG2 4.41Å; Y73-V166 HydrophobicContact CE2-CB 4.48Å; Y73-V166 HydrophobicContact CE2-CG1 4.18Å; Y73-V166 HydrophobicContact CE2-CG2 3.46Å; Y73-V166 VanDerWaalsContact CE2-CG2 3.46Å
74S95.5Very high90Very high10 Ų1052 Ų527%0.0728%0.281CS..EExtended strand (participates in β ladder)trans-154.6147174.9-167.50000110.9I52I52-S74 PolarHBondContact N-O 3.22Å; I52-S74 PolarHBondContact O-N 2.98Å; I52-S74 VanDerWaalsContact O-N 3.11Å
75T96.5Very high90.8Very high83 Ų8358 Ų5851%0.50929%0.285SS..EExtended strand (participates in β ladder)trans-135.8132173-62.40000108.5V50 V51V50-T75 WeakPolarHBondContact O-CA 3.31Å; V51-T75 HydrophobicContact CG2-CG2 3.95Å
76F97.6Very high91.4Very high22 Ų2264.3 Ų64.310%0.09632%0.315CS..EExtended strand (participates in β ladder)trans-151.1153.3177.157.7-86.8000112R49 V50 I52 S78 L110 W121 V123 A168R49-F76 WeakPolarHBondContact CA-O 3.18Å; V50-F76 HydrophobicContact CB-CD2 4.3Å; V50-F76 HydrophobicContact CB-CE1 3.98Å; V50-F76 HydrophobicContact CB-CE2 3.72Å; V50-F76 HydrophobicContact CB-CZ 3.55Å; V50-F76 HydrophobicContact CG1-CE1 3.81Å; V50-F76 HydrophobicContact CG1-CE2 4.22Å; V50-F76 HydrophobicContact CG1-CZ 3.53Å; V50-F76 HydrophobicContact CG2-CE2 4.09Å; V50-F76 HydrophobicContact CG2-CZ 4.21Å; V50-F76 PolarHBondContact N-O 2.95Å; V50-F76 PolarHBondContact O-N 3.27Å; I52-F76 HydrophobicContact CD1-CE1 3.89Å; I52-F76 HydrophobicContact CG1-CE1 4.44Å; F76-S78 PolarHBondContact O-N 3.17Å; F76-L110 HydrophobicContact CZ-CD1 4.44Å; F76-W121 AromaticContact CD2-CD2 3.92Å; F76-W121 HydrophobicContact CD2-CD2 3.92Å; F76-W121 AromaticContact CD2-CE3 3.67Å; F76-W121 HydrophobicContact CD2-CE3 3.67Å; F76-W121 HydrophobicContact CD2-CH2 4.02Å; F76-W121 HydrophobicContact CD2-CZ2 4.29Å; F76-W121 AromaticContact CD2-CZ3 3.7Å; F76-W121 HydrophobicContact CD2-CZ3 3.7Å; F76-W121 HydrophobicContact CE2-CB 4.34Å; F76-W121 AromaticContact CE2-CD2 3.38Å; F76-W121 HydrophobicContact CE2-CD2 3.38Å; F76-W121 AromaticContact CE2-CE2 3.73Å; F76-W121 AromaticContact CE2-CE3 3.57Å; F76-W121 HydrophobicContact CE2-CE3 3.57Å; F76-W121 AromaticContact CE2-CG 3.7Å; F76-W121 HydrophobicContact CE2-CG 3.7Å; F76-W121 HydrophobicContact CE2-CH2 4.39Å; F76-W121 HydrophobicContact CE2-CZ2 4.28Å; F76-W121 HydrophobicContact CE2-CZ3 4.06Å; F76-W121 HydrophobicContact CZ-CB 4.26Å; F76-W121 HydrophobicContact CZ-CD2 4.15Å; F76-W121 HydrophobicContact CZ-CE3 4.35Å; F76-W121 HydrophobicContact CZ-CG 4.08Å; F76-V123 HydrophobicContact CE1-CG2 4.4Å; F76-A168 HydrophobicContact CB-CB 3.99Å; F76-A168 HydrophobicContact CD1-CB 3.29Å; F76-A168 HydrophobicContact CD2-CB 4.38Å; F76-A168 HydrophobicContact CE1-CB 3.78Å; F76-A168 HydrophobicContact CG-CB 3.64Å; F76-A168 HydrophobicContact CZ-CB 4.49Å
77Q98Very high91.6Very high76 Ų7666.4 Ų66.436%0.35533%0.326SS..EExtended strand (participates in β ladder)trans-76.2114.5170.5-165.467.73700108.7G47 G48 H79 E80 W121G47-Q77 PolarHBondContact O-NE2 3.29Å; G48-Q77 VanDerWaalsContact C-NE2 3.33Å; G48-Q77 PolarHBondContact O-NE2 3.47Å; Q77-H79 PolarHBondContact NE2-O 2.93Å; Q77-E80 HydrophobicContact CG-CG 3.92Å; Q77-W121 WeakPolarHBondContact O-CH2 3.26Å
78S98.6Very high92Very high4 Ų470.3 Ų70.33%0.02835%0.353CS..  trans-87.8-49.5179.9172.90000111.3G48 F76 S112 K119 W121G48-S78 WeakPolarHBondContact O-CA 3.43Å; G48-S78 WeakPolarHBondContact O-CB 3.22Å; G48-S78 PolarHBondContact O-N 3.28Å; F76-S78 PolarHBondContact O-N 3.17Å; S78-S112 PolarHBondContact OG-OG 3.03Å; S78-K119 WeakPolarHBondContact O-CD 3.41Å; S78-K119 PolarHBondContact O-NZ 2.87Å; S78-W121 VanDerWaalsContact CA-CZ2 3.45Å; S78-W121 WeakPolarHBondContact O-CZ2 3.3Å; S78-W121 PolarHBondContact OG-NE1 2.9Å
79H98.3Very high92.3Very high1 Ų172.9 Ų72.91%0.00537%0.366CS..  trans-126.3148.5-178.8-69.771.1000109.8G48 Q77 E93 I95 N114 T117G48-H79 PolarHBondContact O-N 3.5Å; G48-H79 VanDerWaalsContact O-N 3.07Å; Q77-H79 PolarHBondContact NE2-O 2.93Å; H79-E93 HydrophobicContact CB-CB 4.24Å; H79-E93 WeakPolarHBondContact CB-O 3.3Å; H79-I95 HydrophobicContact CB-CD1 4.03Å; H79-I95 WeakPolarHBondContact ND1-CD1 3.32Å; H79-N114 PolarHBondContact CD2-ND2 3.03Å; H79-T117 PolarHBondContact NE2-O 2.84Å
80E97Very high92.7Very high128 Ų12877 Ų7760%0.59838%0.384SS*.  trans-121.4160173.5-67179.9162.400106.3Q77 E82 E93Q77-E80 HydrophobicContact CG-CG 3.92Å; E80-E82 PolarHBondContact O-N 2.98Å; E80-E93 WeakPolarHBondContact CA-OE2 3.15Å
81P95.3Very high92.7Very high78 Ų7877.8 Ų77.851%0.50639%0.389SS..  trans-65.2128.8-180-17.434.2000108.3E93P81-E93 WeakPolarHBondContact CD-OE2 3.38Å; P81-E93 HydrophobicContact CG-CB 4.29Å; P81-E93 HydrophobicContact CG-CG 4.16Å
82E93.3Very high92.9Very high78 Ų7878.1 Ų78.136%0.36439%0.392SS..EExtended strand (participates in β ladder)trans-115.7157.5178.4-71.2171.6-161.400108.6E80 I91E80-E82 PolarHBondContact O-N 2.98Å; E82-I91 HydrophobicContact CB-CB 4.01Å; E82-I91 HydrophobicContact CB-CD1 4.29Å; E82-I91 HydrophobicContact CB-CG2 4.47Å; E82-I91 PolarHBondContact N-O 3.19Å; E82-I91 PolarHBondContact O-N 3.32Å
83F90.4Very high93.1Very high94 Ų9476 Ų7641%0.41238%0.376SS..EExtended strand (participates in β ladder)trans-130.9122.7175.8-168-94.3000109.7Y85 E90F83-Y85 AromaticContact CD1-CD1 3.59Å; F83-Y85 HydrophobicContact CD1-CD1 3.59Å; F83-Y85 HydrophobicContact CD1-CD2 4.35Å; F83-Y85 AromaticContact CD1-CE1 3.76Å; F83-Y85 HydrophobicContact CD1-CE1 3.76Å; F83-Y85 AromaticContact CD1-CG 3.91Å; F83-Y85 HydrophobicContact CD1-CG 3.91Å; F83-Y85 AromaticContact CE1-CD1 3.89Å; F83-Y85 HydrophobicContact CE1-CD1 3.89Å; F83-Y85 HydrophobicContact CE1-CE1 4.32Å; F83-Y85 HydrophobicContact CE1-CG 4.38Å; F83-Y85 PolarHBondContact O-N 2.9Å; F83-E90 HydrophobicContact CD2-CB 4.09Å; F83-E90 HydrophobicContact CE2-CB 4.39Å
84D85.2Confident93.3Very high45 Ų4577.5 Ų77.524%0.24138%0.383CS..EExtended strand (participates in β ladder)trans-83.897171.3-175.3-22000108.7L86 K87 S88 I89 I91D84-L86 PolarHBondContact O-N 2.79Å; D84-L86 WeakPolarHBondContact OD1-CB 3.41Å; D84-L86 PolarHBondContact OD1-N 2.79Å; D84-K87 HydrophobicContact CB-CB 4.38Å; D84-K87 PolarHBondContact O-N 3.07Å; D84-K87 PolarHBondContact OD1-N 2.94Å; D84-K87 VanDerWaalsContact OD2-CD 3.31Å; D84-K87 WeakPolarHBondContact OD2-CD 3.34Å; D84-K87 WeakPolarHBondContact OD2-CG 3.33Å; D84-S88 VanDerWaalsContact O-CA 3.29Å; D84-S88 WeakPolarHBondContact O-CA 3.4Å; D84-S88 PolarHBondContact O-N 3.49Å; D84-I89 PolarHBondContact N-O 3.3Å; D84-I89 PolarHBondContact O-N 2.79Å; D84-I89 VanDerWaalsContact O-N 3.17Å; D84-I91 HydrophobicContact CB-CD1 4.37Å
85Y88Confident93.4Very high191 Ų19177 Ų7775%0.74938%0.38SS*.THydrogen-bonded Turntrans-63-25.9179.4-64.7-81.3000114F83F83-Y85 AromaticContact CD1-CD1 3.59Å; F83-Y85 HydrophobicContact CD1-CD1 3.59Å; F83-Y85 HydrophobicContact CD1-CD2 4.35Å; F83-Y85 AromaticContact CD1-CE1 3.76Å; F83-Y85 HydrophobicContact CD1-CE1 3.76Å; F83-Y85 AromaticContact CD1-CG 3.91Å; F83-Y85 HydrophobicContact CD1-CG 3.91Å; F83-Y85 AromaticContact CE1-CD1 3.89Å; F83-Y85 HydrophobicContact CE1-CD1 3.89Å; F83-Y85 HydrophobicContact CE1-CE1 4.32Å; F83-Y85 HydrophobicContact CE1-CG 4.38Å; F83-Y85 PolarHBondContact O-N 2.9Å
86L86.2Confident93.5Very high170 Ų17073.6 Ų73.689%0.8936%0.359SS*.THydrogen-bonded Turntrans-78.3-35.3-178.5-65.3174.5000110.9D84D84-L86 PolarHBondContact O-N 2.79Å; D84-L86 WeakPolarHBondContact OD1-CB 3.41Å; D84-L86 PolarHBondContact OD1-N 2.79Å
87K84Confident93.5Very high116 Ų11674 Ų7450%0.50436%0.359SS..THydrogen-bonded Turntrans-94.8-10.3177-61.6-176.7-172.3166.10113.5D84 I89D84-K87 HydrophobicContact CB-CB 4.38Å; D84-K87 PolarHBondContact O-N 3.07Å; D84-K87 PolarHBondContact OD1-N 2.94Å; D84-K87 VanDerWaalsContact OD2-CD 3.31Å; D84-K87 WeakPolarHBondContact OD2-CD 3.34Å; D84-K87 WeakPolarHBondContact OD2-CG 3.33Å; K87-I89 VanDerWaalsContact C-N 3.28Å; K87-I89 HydrophobicContact CB-CB 4.34Å; K87-I89 HydrophobicContact CB-CD1 3.78Å; K87-I89 HydrophobicContact CB-CG1 3.95Å; K87-I89 HydrophobicContact CD-CD1 4.33Å; K87-I89 PolarHBondContact O-N 3.41Å
88S90.5Very high93.5Very high91 Ų9170.4 Ų70.464%0.63634%0.343SS*.THydrogen-bonded Turntrans54.344.3-170.5-60.50000112.3D84D84-S88 VanDerWaalsContact O-CA 3.29Å; D84-S88 WeakPolarHBondContact O-CA 3.4Å; D84-S88 PolarHBondContact O-N 3.49Å
89I88.1Confident93.5Very high75 Ų7572.1 Ų72.139%0.38535%0.348SS..EExtended strand (participates in β ladder)trans-118.2127.8-177.9-66.7172.7000109.2D84 K87D84-I89 PolarHBondContact N-O 3.3Å; D84-I89 PolarHBondContact O-N 2.79Å; D84-I89 VanDerWaalsContact O-N 3.17Å; K87-I89 VanDerWaalsContact C-N 3.28Å; K87-I89 HydrophobicContact CB-CB 4.34Å; K87-I89 HydrophobicContact CB-CD1 3.78Å; K87-I89 HydrophobicContact CB-CG1 3.95Å; K87-I89 HydrophobicContact CD-CD1 4.33Å; K87-I89 PolarHBondContact O-N 3.41Å
90E92.1Very high93.5Very high136 Ų13672.5 Ų72.564%0.63635%0.35SS*.EExtended strand (participates in β ladder)trans-74.3134.2166.8-173.1173-175.200109.7F83F83-E90 HydrophobicContact CD2-CB 4.09Å; F83-E90 HydrophobicContact CE2-CB 4.39Å
91I92.9Very high93.6Very high18 Ų1867.5 Ų67.59%0.09233%0.327CS..EExtended strand (participates in β ladder)trans-106.8106.6176.5-58.4173.9000106.7E82 D84 N114 K116E82-I91 HydrophobicContact CB-CB 4.01Å; E82-I91 HydrophobicContact CB-CD1 4.29Å; E82-I91 HydrophobicContact CB-CG2 4.47Å; E82-I91 PolarHBondContact N-O 3.19Å; E82-I91 PolarHBondContact O-N 3.32Å; D84-I91 HydrophobicContact CB-CD1 4.37Å; I91-N114 WeakPolarHBondContact CG2-ND2 3.49Å; I91-K116 HydrophobicContact CD1-CB 4.19Å; I91-K116 HydrophobicContact CD1-CG 3.91Å; I91-K116 HydrophobicContact CG1-CG 3.98Å; I91-K116 HydrophobicContact CG2-CB 4.05Å; I91-K116 HydrophobicContact CG2-CG 3.91Å
92E95.4Very high93.6Very high109 Ų10969.4 Ų69.451%0.50932%0.324SS..  trans-60144.5178-68-175.2-144.200111.7K94 N114E92-K94 HydrophobicContact CB-CB 4.35Å; E92-K94 PolarHBondContact O-N 3.35Å; E92-N114 WeakPolarHBondContact O-CB 3.37Å; E92-N114 PolarHBondContact O-ND2 2.99Å
93E97.5Very high93.6Very high44 Ų4472.4 Ų72.421%0.20633%0.332CS..  trans-77.9-10.9174.962.6-177.4177.100113.4G47 G48 H79 E80 P81 I95G47-E93 VanDerWaalsContact C-CD 3.43Å; G47-E93 VanDerWaalsContact CA-OE1 3.31Å; G47-E93 WeakPolarHBondContact CA-OE1 3.4Å; G48-E93 WeakPolarHBondContact CA-O 3.49Å; H79-E93 HydrophobicContact CB-CB 4.24Å; H79-E93 WeakPolarHBondContact CB-O 3.3Å; E80-E93 WeakPolarHBondContact CA-OE2 3.15Å; P81-E93 WeakPolarHBondContact CD-OE2 3.38Å; P81-E93 HydrophobicContact CG-CB 4.29Å; P81-E93 HydrophobicContact CG-CG 4.16Å; E93-I95 PolarHBondContact O-N 3.03Å
94K98Very high93.6Very high58 Ų5874.8 Ų74.825%0.25234%0.342SS..  trans-47.4126.6-178.7168.5175.1160.2-89.10112K46 E92 N96 N114K46-K94 HydrophobicContact CG-CD 4.14Å; K46-K94 HydrophobicContact CG-CG 4.32Å; K46-K94 WeakPolarHBondContact O-CA 3.34Å; K46-K94 PolarHBondContact O-N 2.91Å; E92-K94 HydrophobicContact CB-CB 4.35Å; E92-K94 PolarHBondContact O-N 3.35Å; K94-N96 PolarHBondContact NZ-OD1 2.88Å; K94-N96 PolarHBondContact O-N 3.43Å; K94-N114 WeakPolarHBondContact O-CA 3.31Å; K94-N114 WeakPolarHBondContact O-CB 3.34Å
95I98.6Very high94Very high0 Ų076.6 Ų76.60%035%0.352CS..  trans-79.8113.9176.6-50.6-57.5000109.6S30 D45 V50 H79 E93 I98 T113S30-I95 VanDerWaalsContact CB-O 3.32Å; S30-I95 WeakPolarHBondContact CB-O 3.48Å; S30-I95 PolarHBondContact OG-O 3.15Å; D45-I95 PolarHBondContact O-N 3.14Å; D45-I95 VanDerWaalsContact O-N 3.14Å; V50-I95 HydrophobicContact CG2-CG1 4.46Å; H79-I95 HydrophobicContact CB-CD1 4.03Å; H79-I95 WeakPolarHBondContact ND1-CD1 3.32Å; E93-I95 PolarHBondContact O-N 3.03Å; I95-I98 HydrophobicContact CG2-CD1 4.25Å; I95-I98 HydrophobicContact CG2-CG1 3.87Å; I95-T113 CarbonylContact C-O 3.59Å
96N98Very high94.3Very high12 Ų1273.2 Ų73.26%0.06435%0.351CS..  trans-81.9-44.2-179.6-69.7-14.7000112.7K94 T113 D115 I182K94-N96 PolarHBondContact NZ-OD1 2.88Å; K94-N96 PolarHBondContact O-N 3.43Å; N96-T113 HydrophobicContact CB-CG2 4.31Å; N96-T113 PolarHBondContact N-O 3.13Å; N96-D115 PolarHBondContact ND2-N 3.23Å; N96-D115 PolarHBondContact ND2-OD1 3.36Å; N96-I182 PolarHBondContact ND2-O 3.13Å
97R98.3Very high94.7Very high30 Ų3065.4 Ų65.411%0.11331%0.31CS..EExtended strand (participates in β ladder)trans-144.6145.1-177.4-61.3-68.5176.1-133.120.3111.3S112 T113 N183 L185 E349R97-S112 WeakPolarHBondContact O-CA 3.44Å; R97-T113 HydrophobicContact CB-CG2 3.88Å; R97-T113 PolarHBondContact O-N 2.94Å; R97-T113 VanDerWaalsContact O-N 3.07Å; R97-N183 PolarHBondContact NE-O 2.89Å; R97-L185 HydrophobicContact CB-CB 4.16Å; R97-E349 IonicContact CZ-OE1 3.53Å; R97-E349 IonicContact NH1-OE1 3.11Å; R97-E349 PolarHBondContact NH1-OE1 3.46Å; R97-E349 IonicContact NH2-OE1 3.67Å
98I98.7Very high95.4Very high1 Ų160.5 Ų60.51%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-121.3137.2166.4-66.3169.4000107.9E33 A42 V50 I95 L110 L111E33-I98 HydrophobicContact CB-CB 4.35Å; E33-I98 HydrophobicContact CB-CG2 4.29Å; A42-I98 HydrophobicContact CB-CD1 4.16Å; A42-I98 HydrophobicContact CB-CG2 4.06Å; V50-I98 HydrophobicContact CG1-CD1 4.1Å; V50-I98 HydrophobicContact CG2-CD1 4.02Å; I95-I98 HydrophobicContact CG2-CD1 4.25Å; I95-I98 HydrophobicContact CG2-CG1 3.87Å; I98-L110 HydrophobicContact CG2-CB 4.38Å; I98-L110 HydrophobicContact CG2-CD1 4.28Å; I98-L111 CarbonylContact C-O 3.55Å; I98-L111 VanDerWaalsContact CA-O 3.31Å; I98-L111 WeakPolarHBondContact CA-O 3.32Å
99R98.5Very high95.8Very high39 Ų3957.9 Ų57.915%0.14727%0.267CS..EExtended strand (participates in β ladder)trans-136.2124.8171.5-68-66.6176.4-110.913.5110E33 L110 L111 L185 V187E33-R99 IonicContact OE1-CZ 3.54Å; E33-R99 IonicContact OE1-NH1 3.2Å; E33-R99 PolarHBondContact OE1-NH1 2.77Å; E33-R99 IonicContact OE2-CZ 3.92Å; E33-R99 IonicContact OE2-NH1 2.79Å; E33-R99 PolarHBondContact OE2-NH1 3.2Å; R99-L110 CarbonylContact O-C 3.55Å; R99-L110 WeakPolarHBondContact O-CA 3.44Å; R99-L111 PolarHBondContact N-O 3.2Å; R99-L111 PolarHBondContact O-N 3.02Å; R99-L185 HydrophobicContact CB-CD2 4.28Å; R99-L185 HydrophobicContact CG-CB 4.13Å; R99-L185 HydrophobicContact CG-CD2 4.22Å; R99-L185 HydrophobicContact CG-CG 4.24Å; R99-L185 VanDerWaalsContact CG-O 3.29Å; R99-L185 WeakPolarHBondContact CG-O 3.24Å; R99-L185 PolarHBondContact NE-O 3.15Å; R99-V187 HydrophobicContact CB-CG2 4.06Å
100W98.4Very high96.3Very high10 Ų1054.3 Ų54.34%0.03825%0.249CC..EExtended strand (participates in β ladder)trans-73.4145173.4-6693.6000110.6E33 F34 N35 H36 L40 A42 I52 N108 L110E33-W100 PolarHBondContact O-NE1 3.12Å; F34-W100 VanDerWaalsContact C-CD1 3.45Å; N35-W100 VanDerWaalsContact CA-CD1 3.46Å; N35-W100 HydrophobicContact CB-CB 4.28Å; N35-W100 HydrophobicContact CB-CD2 3.61Å; N35-W100 HydrophobicContact CB-CE3 4.09Å; N35-W100 HydrophobicContact CB-CG 3.71Å; N35-W100 HydrophobicContact CB-CZ2 4.31Å; H36-W100 PolarHBondContact CE1-O 2.78Å; L40-W100 HydrophobicContact CB-CH2 3.94Å; L40-W100 HydrophobicContact CB-CZ2 3.89Å; L40-W100 HydrophobicContact CD1-CH2 3.7Å; L40-W100 HydrophobicContact CD1-CZ2 4.48Å; L40-W100 HydrophobicContact CD1-CZ3 3.99Å; L40-W100 HydrophobicContact CG-CH2 4.48Å; A42-W100 HydrophobicContact CB-CZ2 3.63Å; I52-W100 HydrophobicContact CD1-CH2 3.89Å; I52-W100 HydrophobicContact CG1-CH2 4.17Å; I52-W100 HydrophobicContact CG1-CZ2 4.46Å; I52-W100 HydrophobicContact CG2-CH2 3.91Å; I52-W100 HydrophobicContact CG2-CZ2 4.21Å; W100-N108 HydrophobicContact CE3-CB 4.47Å; W100-N108 HydrophobicContact CZ3-CB 3.85Å; W100-L110 HydrophobicContact CD2-CB 4.08Å; W100-L110 HydrophobicContact CD2-CD2 4.48Å; W100-L110 HydrophobicContact CE3-CB 3.84Å; W100-L110 HydrophobicContact CE3-CD2 4.17Å; W100-L110 HydrophobicContact CH2-CD2 3.8Å; W100-L110 HydrophobicContact CZ2-CD2 4.13Å; W100-L110 HydrophobicContact CZ3-CB 4.27Å; W100-L110 HydrophobicContact CZ3-CD2 3.79Å
101L98.2Very high96.6Very high22 Ų2247.8 Ų47.812%0.11522%0.218CC..PPolyproline II helixtrans-86.9155.5162.7-58.5-176.3000109.2H36 R103 F109 L111 L120 V187 L207H36-L101 VanDerWaalsContact CE1-C 3.42Å; H36-L101 PolarHBondContact ND1-O 3.16Å; L101-R103 PolarHBondContact O-N 3.38Å; L101-F109 HydrophobicContact CB-CB 4.07Å; L101-F109 HydrophobicContact CD1-CB 3.85Å; L101-F109 HydrophobicContact CG-CB 4.16Å; L101-F109 PolarHBondContact N-O 3.25Å; L101-L111 HydrophobicContact CD2-CD1 4.31Å; L101-L120 HydrophobicContact CD1-CD1 3.64Å; L101-L120 HydrophobicContact CG-CD1 4.4Å; L101-V187 HydrophobicContact CD2-CB 4.28Å; L101-V187 HydrophobicContact CD2-CG1 3.63Å; L101-V187 HydrophobicContact CD2-CG2 3.58Å; L101-L207 HydrophobicContact CD1-CD1 4.07Å; L101-L207 HydrophobicContact CD1-CD2 4.03Å; L101-L207 HydrophobicContact CD2-CD1 4.18Å; L101-L207 HydrophobicContact CD2-CD2 4.02Å
102R95.9Very high96.9Very high118 Ų11847 Ų4745%0.44521%0.214SC..PPolyproline II helixtrans-63.1137.2170.5-67.1-170.8-179.8-170.11.8109.6H36 K104H36-R102 PolarHBondContact CE1-N 2.71Å; H36-R102 WeakPolarHBondContact NE2-CG 3.45Å; R102-K104 PolarHBondContact O-N 2.85Å
103R93.3Very high97Very high141 Ų14141.8 Ų41.853%0.53219%0.19SC..  trans-68.1115.9-177.3-172.3173.9-176.9-173.96.1110L101 N105 V106L101-R103 PolarHBondContact O-N 3.38Å; R103-N105 WeakPolarHBondContact CG-O 3.39Å; R103-N105 PolarHBondContact NE-O 3Å; R103-V106 PolarHBondContact NH2-O 3.3Å
104K90.4Very high97Very high144 Ų14439.7 Ų39.763%0.62618%0.18SC*.  trans-96.8-19.5178.1-65.7-175.1-178.4-179.50113.5R102 Q191R102-K104 PolarHBondContact O-N 2.85Å; K104-Q191 PolarHBondContact NZ-O 3.2Å
105N93.5Very high97Very high83 Ų8337.8 Ų37.844%0.44417%0.173SC..SBendtrans-154.9-166-179.358.640.1000109.7R103 S107R103-N105 WeakPolarHBondContact CG-O 3.39Å; R103-N105 PolarHBondContact NE-O 3Å; N105-S107 PolarHBondContact O-N 3.03Å; N105-S107 VanDerWaalsContact O-N 3.09Å; N105-S107 WeakPolarHBondContact OD1-CA 2.93Å; N105-S107 WeakPolarHBondContact OD1-CB 3.25Å; N105-S107 PolarHBondContact OD1-N 2.96Å; N105-S107 PolarHBondContact OD1-O 3.41Å; N105-S107 PolarHBondContact OD1-OG 2.92Å; N105-S107 VanDerWaalsContact OD1-OG 3.12Å
106V93.4Very high96.8Very high121 Ų12139.2 Ų39.273%0.73318%0.179SC*.SBendtrans-60.1-21.6179.5-62.50000113.8R103R103-V106 PolarHBondContact NH2-O 3.3Å
107S96.1Very high96.8Very high5 Ų539 Ų394%0.03518%0.178CC..SBendtrans-83.3145.9179.4-42.20000111.4N105 K122 T124N105-S107 PolarHBondContact O-N 3.03Å; N105-S107 VanDerWaalsContact O-N 3.09Å; N105-S107 WeakPolarHBondContact OD1-CA 2.93Å; N105-S107 WeakPolarHBondContact OD1-CB 3.25Å; N105-S107 PolarHBondContact OD1-N 2.96Å; N105-S107 PolarHBondContact OD1-O 3.41Å; N105-S107 PolarHBondContact OD1-OG 2.92Å; N105-S107 VanDerWaalsContact OD1-OG 3.12Å; S107-K122 VanDerWaalsContact OG-CE 3.22Å; S107-K122 WeakPolarHBondContact OG-CE 3.38Å; S107-T124 WeakPolarHBondContact OG-CG2 3.14Å
108N97.5Very high96.8Very high13 Ų1337.6 Ų37.67%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-96.2148.7167.9-61-70.4000110L40 W100 V123L40-N108 HydrophobicContact CD1-CB 4.23Å; W100-N108 HydrophobicContact CE3-CB 4.47Å; W100-N108 HydrophobicContact CZ3-CB 3.85Å; N108-V123 HydrophobicContact CB-CB 4.48Å; N108-V123 PolarHBondContact N-O 3.36Å; N108-V123 PolarHBondContact O-N 3.41Å
109F98.3Very high96.8Very high36 Ų3637.9 Ų37.916%0.15817%0.174CC..EExtended strand (participates in β ladder)trans-132.5138.2178.5-62.4-95.8000110L101 L120 W121 K122L101-F109 HydrophobicContact CB-CB 4.07Å; L101-F109 HydrophobicContact CD1-CB 3.85Å; L101-F109 HydrophobicContact CG-CB 4.16Å; L101-F109 PolarHBondContact N-O 3.25Å; F109-L120 HydrophobicContact CB-CD1 4.31Å; F109-W121 VanDerWaalsContact CA-O 3.27Å; F109-W121 WeakPolarHBondContact CA-O 3.42Å; F109-K122 HydrophobicContact CD1-CB 3.88Å; F109-K122 HydrophobicContact CD1-CG 4.23Å; F109-K122 HydrophobicContact CE1-CB 3.66Å; F109-K122 HydrophobicContact CE1-CD 3.91Å; F109-K122 HydrophobicContact CE1-CG 3.67Å; F109-K122 HydrophobicContact CZ-CB 4.48Å; F109-K122 HydrophobicContact CZ-CD 4.07Å; F109-K122 HydrophobicContact CZ-CG 4.01Å
110L98.5Very high96.8Very high0 Ų036.6 Ų36.60%017%0.17CC..EExtended strand (participates in β ladder)trans-139.3148.6174.764.786.6000110.1I52 F76 I98 R99 W100 W121I52-L110 HydrophobicContact CD1-CD2 3.85Å; I52-L110 HydrophobicContact CG1-CD2 4.39Å; F76-L110 HydrophobicContact CZ-CD1 4.44Å; I98-L110 HydrophobicContact CG2-CB 4.38Å; I98-L110 HydrophobicContact CG2-CD1 4.28Å; R99-L110 CarbonylContact O-C 3.55Å; R99-L110 WeakPolarHBondContact O-CA 3.44Å; W100-L110 HydrophobicContact CD2-CB 4.08Å; W100-L110 HydrophobicContact CD2-CD2 4.48Å; W100-L110 HydrophobicContact CE3-CB 3.84Å; W100-L110 HydrophobicContact CE3-CD2 4.17Å; W100-L110 HydrophobicContact CH2-CD2 3.8Å; W100-L110 HydrophobicContact CZ2-CD2 4.13Å; W100-L110 HydrophobicContact CZ3-CB 4.27Å; W100-L110 HydrophobicContact CZ3-CD2 3.79Å; L110-W121 HydrophobicContact CD1-CB 3.97Å; L110-W121 HydrophobicContact CD1-CG 4.25Å; L110-W121 HydrophobicContact CG-CB 4.16Å; L110-W121 PolarHBondContact N-O 2.75Å; L110-W121 VanDerWaalsContact N-O 3.13Å; L110-W121 PolarHBondContact O-N 2.82Å
111L98.8Very high96.8Very high0 Ų037 Ų370%017%0.171CC..EExtended strand (participates in β ladder)trans-95.8139.3164.9-62165.4000108.9I98 R99 L101 I118 K119 L120 Y174 L185 V187 F194 L207I98-L111 CarbonylContact C-O 3.55Å; I98-L111 VanDerWaalsContact CA-O 3.31Å; I98-L111 WeakPolarHBondContact CA-O 3.32Å; R99-L111 PolarHBondContact N-O 3.2Å; R99-L111 PolarHBondContact O-N 3.02Å; L101-L111 HydrophobicContact CD2-CD1 4.31Å; L111-I118 HydrophobicContact CB-CG2 4.4Å; L111-I118 HydrophobicContact CD2-CG2 4.18Å; L111-K119 CarbonylContact C-O 3.58Å; L111-K119 VanDerWaalsContact CA-O 3.3Å; L111-K119 WeakPolarHBondContact CA-O 3.44Å; L111-L120 HydrophobicContact CD2-CB 3.84Å; L111-L120 HydrophobicContact CD2-CD1 3.8Å; L111-L120 HydrophobicContact CD2-CG 4.4Å; L111-L120 HydrophobicContact CG-CD1 4.28Å; L111-Y174 HydrophobicContact CD2-CE2 3.92Å; L111-L185 HydrophobicContact CB-CD2 3.46Å; L111-L185 VanDerWaalsContact CB-CD2 3.46Å; L111-L185 HydrophobicContact CD1-CD2 4.17Å; L111-L185 HydrophobicContact CD1-CG 4.42Å; L111-L185 HydrophobicContact CG-CD2 4.45Å; L111-V187 HydrophobicContact CD1-CG2 4.05Å; L111-F194 HydrophobicContact CD1-CB 4.22Å; L111-F194 HydrophobicContact CD1-CD1 4.07Å; L111-F194 HydrophobicContact CD1-CD2 3.93Å; L111-F194 HydrophobicContact CD1-CE1 4.42Å; L111-F194 HydrophobicContact CD1-CE2 4.31Å; L111-F194 HydrophobicContact CD1-CG 3.8Å; L111-L207 HydrophobicContact CD1-CD2 4.33Å; L111-L207 HydrophobicContact CD2-CD2 4.42Å
112S98.8Very high96.8Very high0 Ų038.7 Ų38.70%018%0.178CC..EExtended strand (participates in β ladder)trans-126.6148.8168.760.70000109.7S78 R97 I118 K119 W121S78-S112 PolarHBondContact OG-OG 3.03Å; R97-S112 WeakPolarHBondContact O-CA 3.44Å; S112-I118 CarbonylContact O-C 3.59Å; S112-I118 WeakPolarHBondContact O-CA 3.4Å; S112-K119 PolarHBondContact N-O 3.48Å; S112-K119 PolarHBondContact O-N 2.79Å; S112-W121 VanDerWaalsContact OG-CD1 3.3Å; S112-W121 PolarHBondContact OG-NE1 2.9Å
113T98.8Very high96.9Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-139.2145.9177.5-166.60000111.6I95 N96 R97 T117 I118 I182I95-T113 CarbonylContact C-O 3.59Å; N96-T113 HydrophobicContact CB-CG2 4.31Å; N96-T113 PolarHBondContact N-O 3.13Å; R97-T113 HydrophobicContact CB-CG2 3.88Å; R97-T113 PolarHBondContact O-N 2.94Å; R97-T113 VanDerWaalsContact O-N 3.07Å; T113-T117 WeakPolarHBondContact CA-O 3.29Å; T113-T117 PolarHBondContact OG1-O 2.9Å; T113-I118 VanDerWaalsContact OG1-CG1 3.28Å; T113-I118 WeakPolarHBondContact OG1-CG1 3.49Å; T113-I182 HydrophobicContact CG2-CG2 3.91Å
114N97.9Very high97Very high0 Ų027.4 Ų27.40%014%0.138CC..  trans-102.2-156.5157.870.4-10.9000108.8H79 I91 E92 K94 K116 T117H79-N114 PolarHBondContact CD2-ND2 3.03Å; I91-N114 WeakPolarHBondContact CG2-ND2 3.49Å; E92-N114 WeakPolarHBondContact O-CB 3.37Å; E92-N114 PolarHBondContact O-ND2 2.99Å; K94-N114 WeakPolarHBondContact O-CA 3.31Å; K94-N114 WeakPolarHBondContact O-CB 3.34Å; N114-K116 VanDerWaalsContact C-N 3.27Å; N114-K116 PolarHBondContact O-N 2.81Å; N114-K116 PolarHBondContact OD1-N 3.46Å; N114-T117 PolarHBondContact N-O 2.87Å; N114-T117 PolarHBondContact OD1-N 2.88Å; N114-T117 PolarHBondContact OD1-O 2.84Å
115D96.7Very high97.2Very high19 Ų1925.2 Ų25.210%0.10213%0.13CC..SBendtrans-66.3-21.3-177.6-73.9-14.5000114.7N96 H181 I182N96-D115 PolarHBondContact ND2-N 3.23Å; N96-D115 PolarHBondContact ND2-OD1 3.36Å; D115-H181 HydrophobicContact CB-CB 4.37Å; D115-H181 IonicContact OD1-ND1 3.63Å; D115-H181 IonicContact OD2-CE1 3.82Å; D115-H181 IonicContact OD2-CG 3.38Å; D115-H181 IonicContact OD2-ND1 2.71Å; D115-H181 PolarHBondContact OD2-ND1 3.23Å; D115-H181 VanDerWaalsContact OD2-ND1 3.15Å; D115-I182 WeakPolarHBondContact O-CG1 3.4Å; D115-I182 PolarHBondContact O-N 3.11Å
116K95.9Very high97.2Very high29 Ų2926.2 Ų26.213%0.12613%0.127CC..SBendtrans-131.9-25.4-170.7-61.6-62177.3-162.10115.4I91 N114 A179 Y180I91-K116 HydrophobicContact CD1-CB 4.19Å; I91-K116 HydrophobicContact CD1-CG 3.91Å; I91-K116 HydrophobicContact CG1-CG 3.98Å; I91-K116 HydrophobicContact CG2-CB 4.05Å; I91-K116 HydrophobicContact CG2-CG 3.91Å; N114-K116 VanDerWaalsContact C-N 3.27Å; N114-K116 PolarHBondContact O-N 2.81Å; N114-K116 PolarHBondContact OD1-N 3.46Å; K116-A179 PolarHBondContact NZ-O 3.15Å; K116-Y180 VanDerWaalsContact NZ-C 3.3Å; K116-Y180 PolarHBondContact NZ-O 3.01Å
117T96.8Very high97.1Very high7 Ų724.5 Ų24.54%0.04311%0.114CC..  trans-132.1130.4-166.4-59.20000110.9H79 T113 N114 K119 V173 A175H79-T117 PolarHBondContact NE2-O 2.84Å; T113-T117 WeakPolarHBondContact CA-O 3.29Å; T113-T117 PolarHBondContact OG1-O 2.9Å; N114-T117 PolarHBondContact N-O 2.87Å; N114-T117 PolarHBondContact OD1-N 2.88Å; N114-T117 PolarHBondContact OD1-O 2.84Å; T117-K119 HydrophobicContact CG2-CG 4.34Å; T117-V173 HydrophobicContact CG2-CG1 3.46Å; T117-V173 VanDerWaalsContact CG2-CG1 3.46Å; T117-A175 HydrophobicContact CG2-CB 4.12Å
118I98.7Very high97Very high1 Ų130.8 Ų30.81%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-105.4139.1176.5-54150.9000108.1L111 S112 T113 V173 Y174 I182 L185 F194 S196 W205L111-I118 HydrophobicContact CB-CG2 4.4Å; L111-I118 HydrophobicContact CD2-CG2 4.18Å; S112-I118 CarbonylContact O-C 3.59Å; S112-I118 WeakPolarHBondContact O-CA 3.4Å; T113-I118 VanDerWaalsContact OG1-CG1 3.28Å; T113-I118 WeakPolarHBondContact OG1-CG1 3.49Å; I118-V173 CarbonylContact O-C 3.42Å; I118-V173 WeakPolarHBondContact O-CA 3.48Å; I118-Y174 HydrophobicContact CB-CD2 4.09Å; I118-Y174 HydrophobicContact CG2-CD2 3.99Å; I118-Y174 PolarHBondContact N-O 3.25Å; I118-Y174 PolarHBondContact O-N 2.65Å; I118-I182 HydrophobicContact CD1-CD1 4.15Å; I118-I182 HydrophobicContact CG1-CD1 4.01Å; I118-L185 HydrophobicContact CD1-CD1 4.09Å; I118-L185 HydrophobicContact CG1-CD1 4.27Å; I118-L185 HydrophobicContact CG2-CD1 3.98Å; I118-L185 HydrophobicContact CG2-CD2 4.31Å; I118-F194 HydrophobicContact CD1-CE2 4.07Å; I118-F194 HydrophobicContact CG2-CE2 4.18Å; I118-F194 HydrophobicContact CG2-CZ 4.38Å; I118-S196 VanDerWaalsContact CD1-CB 3.44Å; I118-S196 WeakPolarHBondContact CD1-OG 3.34Å; I118-W205 HydrophobicContact CD1-CZ2 4.49Å
119K98.7Very high96.7Very high7 Ų735.3 Ų35.33%0.0315%0.153CC..EExtended strand (participates in β ladder)trans-128.3132.7-179.3-67.5174.9179.4159.70110.1S78 L111 S112 T117 W121 R172 V173S78-K119 WeakPolarHBondContact O-CD 3.41Å; S78-K119 PolarHBondContact O-NZ 2.87Å; L111-K119 CarbonylContact C-O 3.58Å; L111-K119 VanDerWaalsContact CA-O 3.3Å; L111-K119 WeakPolarHBondContact CA-O 3.44Å; S112-K119 PolarHBondContact N-O 3.48Å; S112-K119 PolarHBondContact O-N 2.79Å; T117-K119 HydrophobicContact CG2-CG 4.34Å; K119-W121 HydrophobicContact CD-CZ2 4.11Å; K119-R172 WeakPolarHBondContact CA-O 3.28Å; K119-V173 HydrophobicContact CG-CG1 4.28Å; K119-V173 HydrophobicContact CG-CG2 4.26Å
120L98.7Very high96.3Very high12 Ų1235.6 Ų35.66%0.06316%0.158CC..EExtended strand (participates in β ladder)trans-92.4121.2170178.763.3000109.3L101 F109 L111 R171 R172 Y174L101-L120 HydrophobicContact CD1-CD1 3.64Å; L101-L120 HydrophobicContact CG-CD1 4.4Å; F109-L120 HydrophobicContact CB-CD1 4.31Å; L111-L120 HydrophobicContact CD2-CB 3.84Å; L111-L120 HydrophobicContact CD2-CD1 3.8Å; L111-L120 HydrophobicContact CD2-CG 4.4Å; L111-L120 HydrophobicContact CG-CD1 4.28Å; L120-R171 HydrophobicContact CD2-CB 4.28Å; L120-R171 HydrophobicContact CG-CB 4.27Å; L120-R171 PolarHBondContact O-N 3Å; L120-R172 HydrophobicContact CB-CB 3.97Å; L120-R172 HydrophobicContact CD2-CB 4.47Å; L120-R172 HydrophobicContact CD2-CG 4.32Å; L120-R172 PolarHBondContact N-O 3.04Å; L120-R172 PolarHBondContact O-N 3.05Å; L120-Y174 HydrophobicContact CB-CE2 4.13Å
121W98.6Very high95.7Very high19 Ų1936.5 Ų36.57%0.07217%0.165CC..EExtended strand (participates in β ladder)trans-107.4142.2178.3-66.291.3000110.8F76 Q77 S78 F109 L110 S112 K119 R170F76-W121 AromaticContact CD2-CD2 3.92Å; F76-W121 HydrophobicContact CD2-CD2 3.92Å; F76-W121 AromaticContact CD2-CE3 3.67Å; F76-W121 HydrophobicContact CD2-CE3 3.67Å; F76-W121 HydrophobicContact CD2-CH2 4.02Å; F76-W121 HydrophobicContact CD2-CZ2 4.29Å; F76-W121 AromaticContact CD2-CZ3 3.7Å; F76-W121 HydrophobicContact CD2-CZ3 3.7Å; F76-W121 HydrophobicContact CE2-CB 4.34Å; F76-W121 AromaticContact CE2-CD2 3.38Å; F76-W121 HydrophobicContact CE2-CD2 3.38Å; F76-W121 AromaticContact CE2-CE2 3.73Å; F76-W121 AromaticContact CE2-CE3 3.57Å; F76-W121 HydrophobicContact CE2-CE3 3.57Å; F76-W121 AromaticContact CE2-CG 3.7Å; F76-W121 HydrophobicContact CE2-CG 3.7Å; F76-W121 HydrophobicContact CE2-CH2 4.39Å; F76-W121 HydrophobicContact CE2-CZ2 4.28Å; F76-W121 HydrophobicContact CE2-CZ3 4.06Å; F76-W121 HydrophobicContact CZ-CB 4.26Å; F76-W121 HydrophobicContact CZ-CD2 4.15Å; F76-W121 HydrophobicContact CZ-CE3 4.35Å; F76-W121 HydrophobicContact CZ-CG 4.08Å; Q77-W121 WeakPolarHBondContact O-CH2 3.26Å; S78-W121 VanDerWaalsContact CA-CZ2 3.45Å; S78-W121 WeakPolarHBondContact O-CZ2 3.3Å; S78-W121 PolarHBondContact OG-NE1 2.9Å; F109-W121 VanDerWaalsContact CA-O 3.27Å; F109-W121 WeakPolarHBondContact CA-O 3.42Å; L110-W121 HydrophobicContact CD1-CB 3.97Å; L110-W121 HydrophobicContact CD1-CG 4.25Å; L110-W121 HydrophobicContact CG-CB 4.16Å; L110-W121 PolarHBondContact N-O 2.75Å; L110-W121 VanDerWaalsContact N-O 3.13Å; L110-W121 PolarHBondContact O-N 2.82Å; S112-W121 VanDerWaalsContact OG-CD1 3.3Å; S112-W121 PolarHBondContact OG-NE1 2.9Å; K119-W121 HydrophobicContact CD-CZ2 4.11Å; W121-R170 HydrophobicContact CD2-CB 4.36Å; W121-R170 HydrophobicContact CE3-CB 4.01Å; W121-R170 HydrophobicContact CH2-CB 3.72Å; W121-R170 HydrophobicContact CH2-CG 4.26Å; W121-R170 HydrophobicContact CZ2-CB 4.03Å; W121-R170 HydrophobicContact CZ2-CG 4.08Å; W121-R170 HydrophobicContact CZ3-CB 3.71Å
122K98Very high94.9Very high57 Ų5743.3 Ų43.325%0.24820%0.197CC..EExtended strand (participates in β ladder)trans-112.7126.9170174.2-179.7172.1-178.80108.4S107 F109 T124 A168 S169 R171S107-K122 VanDerWaalsContact OG-CE 3.22Å; S107-K122 WeakPolarHBondContact OG-CE 3.38Å; F109-K122 HydrophobicContact CD1-CB 3.88Å; F109-K122 HydrophobicContact CD1-CG 4.23Å; F109-K122 HydrophobicContact CE1-CB 3.66Å; F109-K122 HydrophobicContact CE1-CD 3.91Å; F109-K122 HydrophobicContact CE1-CG 3.67Å; F109-K122 HydrophobicContact CZ-CB 4.48Å; F109-K122 HydrophobicContact CZ-CD 4.07Å; F109-K122 HydrophobicContact CZ-CG 4.01Å; K122-T124 HydrophobicContact CD-CG2 4.27Å; K122-T124 HydrophobicContact CG-CG2 4.05Å; K122-A168 CarbonylContact O-C 3.56Å; K122-A168 WeakPolarHBondContact O-CA 3.46Å; K122-S169 PolarHBondContact N-O 3.02Å; K122-S169 PolarHBondContact O-N 3.06Å; K122-R171 HydrophobicContact CB-CG 3.49Å; K122-R171 VanDerWaalsContact CB-CG 3.49Å
123V97.8Very high93.8Very high0 Ų044 Ų440%020%0.203CC..EExtended strand (participates in β ladder)trans-116.7120.2178.3-1730000108.4I52 Y73 F76 N108 V166 E167 A168I52-V123 HydrophobicContact CD1-CB 4.39Å; I52-V123 HydrophobicContact CD1-CG1 4.15Å; I52-V123 HydrophobicContact CD1-CG2 3.64Å; Y73-V123 HydrophobicContact CD1-CG1 4.47Å; Y73-V123 HydrophobicContact CE1-CG1 3.73Å; F76-V123 HydrophobicContact CE1-CG2 4.4Å; N108-V123 HydrophobicContact CB-CB 4.48Å; N108-V123 PolarHBondContact N-O 3.36Å; N108-V123 PolarHBondContact O-N 3.41Å; V123-V166 HydrophobicContact CG1-CG1 3.64Å; V123-E167 WeakPolarHBondContact CA-O 3.24Å; V123-A168 HydrophobicContact CG2-CB 4.32Å
124T96Very high92.7Very high23 Ų2344.5 Ų44.514%0.14121%0.209CC..EExtended strand (participates in β ladder)trans-136.5138.7-174.237.90000113S107 K122 V166 E167S107-T124 WeakPolarHBondContact OG-CG2 3.14Å; K122-T124 HydrophobicContact CD-CG2 4.27Å; K122-T124 HydrophobicContact CG-CG2 4.05Å; T124-V166 WeakPolarHBondContact O-CA 3.39Å; T124-E167 PolarHBondContact N-O 2.98Å; T124-E167 PolarHBondContact O-N 3.28Å
125E94.3Very high91.9Very high98 Ų9850.9 Ų50.946%0.45823%0.233SC..EExtended strand (participates in β ladder)trans-78.8141.5164.3-74167.7-159.100110.7Y73 I164 V165 V166Y73-E125 HydrophobicContact CE2-CG 4.18Å; Y73-E125 VanDerWaalsContact CE2-OE1 3.28Å; Y73-E125 WeakPolarHBondContact CE2-OE1 3.44Å; Y73-E125 WeakPolarHBondContact OH-CG 3.38Å; Y73-E125 PolarHBondContact OH-OE1 2.85Å; Y73-E125 VanDerWaalsContact OH-OE1 3.12Å; E125-I164 HydrophobicContact CB-CG2 3.97Å; E125-I164 HydrophobicContact CG-CG2 3.82Å; E125-V165 CarbonylContact C-O 3.56Å; E125-V165 WeakPolarHBondContact CA-O 3.46Å; E125-V166 HydrophobicContact CG-CG2 4.03Å
126R92.2Very high91.4Very high104 Ų10452.6 Ų52.639%0.39224%0.243SC..EExtended strand (participates in β ladder)trans-130118.9173.2-174.9-179.9-179.21743.6108.8R128 I164 V165 E167R126-R128 WeakPolarHBondContact CG-O 3.48Å; R126-R128 PolarHBondContact NE-O 3.27Å; R126-I164 WeakPolarHBondContact O-CA 3.26Å; R126-V165 PolarHBondContact N-O 2.9Å; R126-V165 PolarHBondContact O-N 2.72Å; R126-E167 IonicContact NH1-OE1 3.88Å; R126-E167 PolarHBondContact NH1-OE1 3.41Å
127D93.2Very high90.8Very high85 Ų8556.1 Ų56.146%0.45526%0.262SS..EExtended strand (participates in β ladder)trans-112.53.2-178.170.4-31.4000112.5P161 M162 I164D127-P161 CarbonylContact O-C 3.54Å; D127-P161 WeakPolarHBondContact O-CA 3.43Å; D127-M162 VanDerWaalsContact C-CG 3.41Å; D127-M162 WeakPolarHBondContact O-CG 3.48Å; D127-M162 PolarHBondContact O-N 2.77Å; D127-I164 HydrophobicContact CB-CG1 4.17Å
128R93.3Very high89.9Confident136 Ų13662.1 Ų62.151%0.51328%0.284SS..EExtended strand (participates in β ladder)trans-133.6137.6-178.2-67179.4-176.6-151.2-1.4112.4R126 L159 V160R126-R128 WeakPolarHBondContact CG-O 3.48Å; R126-R128 PolarHBondContact NE-O 3.27Å; R128-L159 HydrophobicContact CB-CB 4.44Å; R128-V160 WeakPolarHBondContact CA-O 3.45Å
129R90.4Very high88.6Confident109 Ų10966.2 Ų66.241%0.41131%0.306SS..EExtended strand (participates in β ladder)trans-123.9165.1171.963.2-171-170164.618.9111.5E132 L159 V160 M162R129-E132 IonicContact CZ-OE1 3.73Å; R129-E132 IonicContact NH1-OE1 2.76Å; R129-E132 IonicContact NH2-OE1 2.85Å; R129-E132 PolarHBondContact NH2-OE1 2.99Å; R129-L159 CarbonylContact O-C 3.54Å; R129-L159 VanDerWaalsContact O-CA 3.31Å; R129-L159 WeakPolarHBondContact O-CA 3.09Å; R129-V160 HydrophobicContact CG-CG2 3.96Å; R129-V160 PolarHBondContact N-O 2.86Å; R129-V160 PolarHBondContact O-N 3.07Å; R129-M162 HydrophobicContact CB-CB 4.48Å; R129-M162 HydrophobicContact CB-CG 4.36Å; R129-M162 HydrophobicContact CB-SD 3.61Å; R129-M162 HydrophobicContact CG-CB 3.96Å; R129-M162 HydrophobicContact CG-CG 4.36Å; R129-M162 HydrophobicContact CG-SD 4.13Å
130V89.9Confident87.3Confident42 Ų4273.7 Ų73.726%0.25534%0.341SS..EExtended strand (participates in β ladder)trans-68.5134168177.50000108.6W135 P157 L159V130-W135 HydrophobicContact CB-CH2 4.49Å; V130-W135 HydrophobicContact CB-CZ2 3.98Å; V130-W135 HydrophobicContact CG1-CH2 4.19Å; V130-W135 HydrophobicContact CG1-CZ2 3.68Å; V130-W135 HydrophobicContact CG2-CH2 4.36Å; V130-W135 HydrophobicContact CG2-CZ2 4.32Å; V130-P157 HydrophobicContact CG1-CB 3.55Å; V130-L159 HydrophobicContact CG2-CD2 4.36Å
131A86.7Confident86.2Confident19 Ų1979 Ų7916%0.15737%0.37CS..PPolyproline II helixtrans-57.8139.8176.800000111.7G134 R158 V160A131-G134 PolarHBondContact O-N 3.21Å; A131-G134 VanDerWaalsContact O-N 3.1Å; A131-R158 PolarHBondContact N-O 3.08Å; A131-V160 HydrophobicContact CB-CG1 3.74Å; A131-V160 HydrophobicContact CB-CG2 4.08Å
132E81Confident85.1Confident143 Ų14380 Ų8067%0.66839%0.386SS*.THydrogen-bonded Turntrans-60.1140167-70.7168.7-151.200109.1R129 G134R129-E132 IonicContact CZ-OE1 3.73Å; R129-E132 IonicContact NH1-OE1 2.76Å; R129-E132 IonicContact NH2-OE1 2.85Å; R129-E132 PolarHBondContact NH2-OE1 2.99Å; E132-G134 PolarHBondContact O-N 2.86Å
133G76.3Confident84.1Confident13 Ų1379.6 Ų79.613%0.13439%0.39CS..THydrogen-bonded Turntrans72.62.9-171.900000115.8W135G133-W135 PolarHBondContact O-N 2.88Å
134G76.4Confident83.1Confident12 Ų1285.4 Ų85.412%0.12442%0.421CS..  trans-775.7176.600000115.3A131 E132A131-G134 PolarHBondContact O-N 3.21Å; A131-G134 VanDerWaalsContact O-N 3.1Å; E132-G134 PolarHBondContact O-N 2.86Å
135W81.5Confident82Confident133 Ų13385.8 Ų85.850%0.50442%0.423SS..  trans-105.4133.1-172.7-56.2102.6000110.5V130 G133 L137 R138V130-W135 HydrophobicContact CB-CH2 4.49Å; V130-W135 HydrophobicContact CB-CZ2 3.98Å; V130-W135 HydrophobicContact CG1-CH2 4.19Å; V130-W135 HydrophobicContact CG1-CZ2 3.68Å; V130-W135 HydrophobicContact CG2-CH2 4.36Å; V130-W135 HydrophobicContact CG2-CZ2 4.32Å; G133-W135 PolarHBondContact O-N 2.88Å; W135-L137 PolarHBondContact O-N 2.62Å; W135-L137 VanDerWaalsContact O-N 3.16Å; W135-R138 HydrophobicContact CB-CB 4.07Å; W135-R138 PolarHBondContact O-N 3.46Å
136N84.6Confident80.7Confident55 Ų5591.1 Ų91.129%0.29445%0.445SS..THydrogen-bonded Turntrans-66.2-19.3-178.4-68.7-41.8000114.8R155N136-R155 PolarHBondContact ND2-O 2.83Å; N136-R155 WeakPolarHBondContact OD1-CA 3.31Å; N136-R155 WeakPolarHBondContact OD1-CB 3.22Å; N136-R155 PolarHBondContact OD1-N 3.48Å; N136-R155 PolarHBondContact OD1-O 3.11Å
137L84.1Confident79.7Confident104 Ų10488.1 Ų88.155%0.54544%0.439SS..THydrogen-bonded Turntrans-116.69.7-176-58.5177.5000112.7W135 V145 V151W135-L137 PolarHBondContact O-N 2.62Å; W135-L137 VanDerWaalsContact O-N 3.16Å; L137-V145 VanDerWaalsContact C-CG2 3.49Å; L137-V145 PolarHBondContact O-N 3.12Å; L137-V151 HydrophobicContact CD2-CG2 4.22Å
138R77.6Confident78.6Confident132 Ų13289.1 Ų89.150%0.49845%0.451SS..BIsolated β-bridgetrans-133.3127.5172.3-69.1-178.5169.1-156.6-4.3110.1W135 S143 L144W135-R138 HydrophobicContact CB-CB 4.07Å; W135-R138 PolarHBondContact O-N 3.46Å; R138-S143 CarbonylContact C-O 3.57Å; R138-S143 VanDerWaalsContact CA-O 3.23Å; R138-S143 WeakPolarHBondContact CA-O 3.31Å; R138-L144 HydrophobicContact CG-CD2 4.14Å
139D70.9Confident77.7Confident88 Ų8890.3 Ų90.347%0.47146%0.464SS..  trans-69.3170.5174.4-77.4-39.3000111.1D141 G142 S143D139-D141 WeakPolarHBondContact CB-OD1 3.43Å; D139-D141 PolarHBondContact O-N 2.68Å; D139-G142 WeakPolarHBondContact O-CA 3.4Å; D139-G142 PolarHBondContact O-N 3.35Å; D139-S143 PolarHBondContact N-O 2.82Å
140E71.9Confident76.8Confident163 Ų16390 Ų9076%0.76247%0.47SS*.THydrogen-bonded Turntrans-59.4-26-178.5-70.4-171164.500113G142E140-G142 PolarHBondContact O-N 2.81Å
141D76.8Confident76.1Confident125 Ų12590.2 Ų90.267%0.66847%0.471SS*.THydrogen-bonded Turntrans-80.62.8174.367.6-4.5000113.7D139 S143D139-D141 WeakPolarHBondContact CB-OD1 3.43Å; D139-D141 PolarHBondContact O-N 2.68Å; D141-S143 VanDerWaalsContact CG-OG 3.3Å; D141-S143 PolarHBondContact O-N 2.94Å; D141-S143 VanDerWaalsContact OD1-CB 3.27Å; D141-S143 WeakPolarHBondContact OD1-CB 3.42Å; D141-S143 PolarHBondContact OD1-N 2.98Å; D141-S143 PolarHBondContact OD1-OG 2.97Å; D141-S143 PolarHBondContact OD2-OG 3.08Å
142G74.1Confident75.6Confident39 Ų3996.7 Ų96.740%0.40250%0.498SS..SBendtrans78.4-0.8-179.500000114.5D139 E140D139-G142 WeakPolarHBondContact O-CA 3.4Å; D139-G142 PolarHBondContact O-N 3.35Å; E140-G142 PolarHBondContact O-N 2.81Å
143S77.2Confident75.6Confident49 Ų4996.2 Ų96.234%0.34350%0.5SS..PPolyproline II helixtrans-71.4144.2178.170.40000111R138 D139 D141R138-S143 CarbonylContact C-O 3.57Å; R138-S143 VanDerWaalsContact CA-O 3.23Å; R138-S143 WeakPolarHBondContact CA-O 3.31Å; D139-S143 PolarHBondContact N-O 2.82Å; D141-S143 VanDerWaalsContact CG-OG 3.3Å; D141-S143 PolarHBondContact O-N 2.94Å; D141-S143 VanDerWaalsContact OD1-CB 3.27Å; D141-S143 WeakPolarHBondContact OD1-CB 3.42Å; D141-S143 PolarHBondContact OD1-N 2.98Å; D141-S143 PolarHBondContact OD1-OG 2.97Å; D141-S143 PolarHBondContact OD2-OG 3.08Å
144L76.6Confident76.1Confident122 Ų122102.6 Ų102.664%0.63953%0.53SS*.BIsolated β-bridgetrans-68.7133.3177-76.1163.3000109.5R138 K146R138-L144 HydrophobicContact CG-CD2 4.14Å; L144-K146 PolarHBondContact O-N 3.41Å
145V72.2Confident76.4Confident31 Ų31109.2 Ų109.219%0.18855%0.552CS.*PPolyproline II helixtrans-59.3116.2174.7175.40000108.4L137 S147 V151L137-V145 VanDerWaalsContact C-CG2 3.49Å; L137-V145 PolarHBondContact O-N 3.12Å; V145-S147 WeakPolarHBondContact CG1-O 3.46Å; V145-S147 PolarHBondContact O-N 2.74Å; V145-V151 HydrophobicContact CG1-CG2 4.33Å
146K67.6Low76.7Confident210 Ų210110.2 Ų110.291%0.91357%0.566SS**SBendtrans-65-21-169.5-70.1179.2179.5172.90114.4L144L144-K146 PolarHBondContact O-N 3.41Å
147S71.9Confident76.9Confident40 Ų40110.6 Ų110.628%0.2857%0.572SS.*  trans-145.7124.4177.9-178.80000111V145 M149 N150V145-S147 WeakPolarHBondContact CG1-O 3.46Å; V145-S147 PolarHBondContact O-N 2.74Å; S147-M149 PolarHBondContact O-N 2.92Å; S147-M149 VanDerWaalsContact O-N 3.07Å; S147-M149 PolarHBondContact OG-N 2.95Å; S147-N150 PolarHBondContact O-N 3.15Å
148P69.3Low77.2Confident107 Ų107115.1 Ų115.170%0.69558%0.582SS**G310 helixtrans-56.3-23.4175-22.831.4000113.8N150 V151P148-N150 PolarHBondContact O-N 2.79Å; P148-V151 PolarHBondContact O-N 3.39Å
149M74.3Confident78Confident161 Ų161114 Ų11479%0.79359%0.585SS**G310 helixtrans-71.8-11.6178.4-66.9-149.9-106.200114S147S147-M149 PolarHBondContact O-N 2.92Å; S147-M149 VanDerWaalsContact O-N 3.07Å; S147-M149 PolarHBondContact OG-N 2.95Å
150N72Confident79.1Confident102 Ų102112.1 Ų112.155%0.54558%0.576SS.*G310 helixtrans-90.8-0.3178.1-65.6-6.7000113S147 P148 H152S147-N150 PolarHBondContact O-N 3.15Å; P148-N150 PolarHBondContact O-N 2.79Å; N150-H152 PolarHBondContact O-CD2 3.19Å; N150-H152 PolarHBondContact O-N 2.84Å
151V74.6Confident80.2Confident46 Ų46109.7 Ų109.728%0.27958%0.575SS.*  trans-83.493.4175.8-175.60000108.3L137 V145 P148 L154L137-V151 HydrophobicContact CD2-CG2 4.22Å; V145-V151 HydrophobicContact CG1-CG2 4.33Å; P148-V151 PolarHBondContact O-N 3.39Å; V151-L154 HydrophobicContact CG1-CD2 4.13Å
152H77.6Confident81Confident155 Ų155106.4 Ų106.472%0.71856%0.556SS**  trans-86.5-25.3-178.1-62.8-55.1000113.7N150N150-H152 PolarHBondContact O-CD2 3.19Å; N150-H152 PolarHBondContact O-N 2.84Å
153D80.6Confident81.8Confident133 Ų133112.7 Ų112.771%0.71158%0.575SS**SBendtrans-137.1137.3177.7-75.2-45.4000110.8
154L85.7Confident82.4Confident147 Ų147115.3 Ų115.377%0.7758%0.584SS**PPolyproline II helixtrans-86125.2173.9-65.3177.3000110.3V151V151-L154 HydrophobicContact CG1-CD2 4.13Å
155R83Confident83.2Confident151 Ų151112.4 Ų112.457%0.5757%0.572SS**PPolyproline II helixtrans-100.1141.7174.7-56.4176.8-177-179.60.2109.6N136N136-R155 PolarHBondContact ND2-O 2.83Å; N136-R155 WeakPolarHBondContact OD1-CA 3.31Å; N136-R155 WeakPolarHBondContact OD1-CB 3.22Å; N136-R155 PolarHBondContact OD1-N 3.48Å; N136-R155 PolarHBondContact OD1-O 3.11Å
156L88.3Confident84.2Confident154 Ų154112.8 Ų112.881%0.80657%0.574SS**PPolyproline II helixtrans-91.9132166.2-71.6172.4000109.1R158L156-R158 PolarHBondContact O-N 3.12Å
157P88.9Confident85.5Confident64 Ų64106.8 Ų106.842%0.41655%0.549SS..PPolyproline II helixtrans-61.3133.1176.621.4-29.2000110.3V130V130-P157 HydrophobicContact CG1-CB 3.55Å
158R90.7Very high86.7Confident198 Ų198106.4 Ų106.475%0.74755%0.548SS*.PPolyproline II helixtrans-99.5143.5175.9-66.9-176.4-179.2179.90.8110.3A131 L156A131-R158 PolarHBondContact N-O 3.08Å; L156-R158 PolarHBondContact O-N 3.12Å
159L93.4Very high88.1Confident108 Ų108103.6 Ų103.657%0.56553%0.531SS*.EExtended strand (participates in β ladder)trans-82.9127.3170.7-68.9173000109.6R128 R129 V130R128-L159 HydrophobicContact CB-CB 4.44Å; R129-L159 CarbonylContact O-C 3.54Å; R129-L159 VanDerWaalsContact O-CA 3.31Å; R129-L159 WeakPolarHBondContact O-CA 3.09Å; V130-L159 HydrophobicContact CG2-CD2 4.36Å
160V93.9Very high89.2Confident49 Ų49103 Ų10330%0.29752%0.52SS..EExtended strand (participates in β ladder)trans-116.3149.6174.2-67.50000110.1R128 R129 A131R128-V160 WeakPolarHBondContact CA-O 3.45Å; R129-V160 HydrophobicContact CG-CG2 3.96Å; R129-V160 PolarHBondContact N-O 2.86Å; R129-V160 PolarHBondContact O-N 3.07Å; A131-V160 HydrophobicContact CB-CG1 3.74Å; A131-V160 HydrophobicContact CB-CG2 4.08Å
161P95.3Very high90.4Very high112 Ų112105.5 Ų105.573%0.72752%0.522SS*.EExtended strand (participates in β ladder)trans-55.7147173.4-23.233.8000112.1D127D127-P161 CarbonylContact O-C 3.54Å; D127-P161 WeakPolarHBondContact O-CA 3.43Å
162M92.9Very high91.5Very high56 Ų56106.8 Ų106.828%0.27652%0.522SS..EExtended strand (participates in β ladder)trans-139.3169.1170.562.7175.7-75.600110.2D127 R129 V165D127-M162 VanDerWaalsContact C-CG 3.41Å; D127-M162 WeakPolarHBondContact O-CG 3.48Å; D127-M162 PolarHBondContact O-N 2.77Å; R129-M162 HydrophobicContact CB-CB 4.48Å; R129-M162 HydrophobicContact CB-CG 4.36Å; R129-M162 HydrophobicContact CB-SD 3.61Å; R129-M162 HydrophobicContact CG-CB 3.96Å; R129-M162 HydrophobicContact CG-CG 4.36Å; R129-M162 HydrophobicContact CG-SD 4.13Å; M162-V165 HydrophobicContact CE-CB 4.15Å; M162-V165 HydrophobicContact CE-CG2 3.47Å; M162-V165 VanDerWaalsContact CE-CG2 3.47Å
163E92Very high92.5Very high172 Ų172101.8 Ų101.880%0.80450%0.502SS*.EExtended strand (participates in β ladder)trans-58138.9167.3-170.5173.5-174.400110.4V165E163-V165 PolarHBondContact O-N 3.25Å
164I90.3Very high93.3Very high103 Ų10395.5 Ų95.553%0.52847%0.468SS..EExtended strand (participates in β ladder)trans-63.8122.7-176.5-62.5174.1000109.1E125 R126 D127E125-I164 HydrophobicContact CB-CG2 3.97Å; E125-I164 HydrophobicContact CG-CG2 3.82Å; R126-I164 WeakPolarHBondContact O-CA 3.26Å; D127-I164 HydrophobicContact CB-CG1 4.17Å
165V92.5Very high93.7Very high62 Ų6290 Ų9038%0.37644%0.444SS..EExtended strand (participates in β ladder)trans-113.2134.1172.9174.80000108.9E125 R126 M162 E163 E167E125-V165 CarbonylContact C-O 3.56Å; E125-V165 WeakPolarHBondContact CA-O 3.46Å; R126-V165 PolarHBondContact N-O 2.9Å; R126-V165 PolarHBondContact O-N 2.72Å; M162-V165 HydrophobicContact CE-CB 4.15Å; M162-V165 HydrophobicContact CE-CG2 3.47Å; M162-V165 VanDerWaalsContact CE-CG2 3.47Å; E163-V165 PolarHBondContact O-N 3.25Å; V165-E167 HydrophobicContact CG1-CG 4.2Å
166V94.3Very high94.2Very high38 Ų3890.7 Ų90.723%0.2346%0.459CS..EExtended strand (participates in β ladder)trans-97.7114.2175.3-174.30000109Y73 V123 T124 E125Y73-V166 HydrophobicContact CD1-CG1 4.11Å; Y73-V166 HydrophobicContact CD2-CG2 3.9Å; Y73-V166 HydrophobicContact CE1-CG1 3.6Å; Y73-V166 HydrophobicContact CE1-CG2 4.41Å; Y73-V166 HydrophobicContact CE2-CB 4.48Å; Y73-V166 HydrophobicContact CE2-CG1 4.18Å; Y73-V166 HydrophobicContact CE2-CG2 3.46Å; Y73-V166 VanDerWaalsContact CE2-CG2 3.46Å; V123-V166 HydrophobicContact CG1-CG1 3.64Å; T124-V166 WeakPolarHBondContact O-CA 3.39Å; E125-V166 HydrophobicContact CG-CG2 4.03Å
167E94.4Very high94.5Very high85 Ų8584.6 Ų84.640%0.39743%0.431SS..EExtended strand (participates in β ladder)trans-103.4129.2177.9-66.1179.2-172.200110.3V123 T124 R126 V165V123-E167 WeakPolarHBondContact CA-O 3.24Å; T124-E167 PolarHBondContact N-O 2.98Å; T124-E167 PolarHBondContact O-N 3.28Å; R126-E167 IonicContact NH1-OE1 3.88Å; R126-E167 PolarHBondContact NH1-OE1 3.41Å; V165-E167 HydrophobicContact CG1-CG 4.2Å
168A97.4Very high94.9Very high32 Ų3282.1 Ų82.126%0.26441%0.414SS..EExtended strand (participates in β ladder)trans-105126.116900000109.8F76 K122 V123F76-A168 HydrophobicContact CB-CB 3.99Å; F76-A168 HydrophobicContact CD1-CB 3.29Å; F76-A168 HydrophobicContact CD2-CB 4.38Å; F76-A168 HydrophobicContact CE1-CB 3.78Å; F76-A168 HydrophobicContact CG-CB 3.64Å; F76-A168 HydrophobicContact CZ-CB 4.49Å; K122-A168 CarbonylContact O-C 3.56Å; K122-A168 WeakPolarHBondContact O-CA 3.46Å; V123-A168 HydrophobicContact CG2-CB 4.32Å
169S97.3Very high95Very high48 Ų4874.9 Ų74.934%0.33640%0.396SS..EExtended strand (participates in β ladder)trans-130.1133.7-17958.90000111.9K122 R171K122-S169 PolarHBondContact N-O 3.02Å; K122-S169 PolarHBondContact O-N 3.06Å; S169-R171 PolarHBondContact O-N 3.41Å
170R97.6Very high95.1Very high147 Ų14772.4 Ų72.456%0.55538%0.38SS*.EExtended strand (participates in β ladder)trans-73.3113.5174.5-170.1178.970.6-177.5-0.1109.6W121 V173W121-R170 HydrophobicContact CD2-CB 4.36Å; W121-R170 HydrophobicContact CE3-CB 4.01Å; W121-R170 HydrophobicContact CH2-CB 3.72Å; W121-R170 HydrophobicContact CH2-CG 4.26Å; W121-R170 HydrophobicContact CZ2-CB 4.03Å; W121-R170 HydrophobicContact CZ2-CG 4.08Å; W121-R170 HydrophobicContact CZ3-CB 3.71Å; R170-V173 HydrophobicContact CG-CG2 4.13Å
171R97.5Very high95.2Very high156 Ų15674.5 Ų74.559%0.58939%0.386SS*.EExtended strand (participates in β ladder)trans-88-42.2-179.4-64.7-65.5-66.9172.4-0.1112.6L120 K122 S169L120-R171 HydrophobicContact CD2-CB 4.28Å; L120-R171 HydrophobicContact CG-CB 4.27Å; L120-R171 PolarHBondContact O-N 3Å; K122-R171 HydrophobicContact CB-CG 3.49Å; K122-R171 VanDerWaalsContact CB-CG 3.49Å; S169-R171 PolarHBondContact O-N 3.41Å
172R98Very high95.3Very high73 Ų7369.2 Ų69.228%0.27535%0.352SS..EExtended strand (participates in β ladder)trans-146.8154.4-174.5-62.6177.1179.4-96.26.8111.1K119 L120 Y174 L207 E208 T210K119-R172 WeakPolarHBondContact CA-O 3.28Å; L120-R172 HydrophobicContact CB-CB 3.97Å; L120-R172 HydrophobicContact CD2-CB 4.47Å; L120-R172 HydrophobicContact CD2-CG 4.32Å; L120-R172 PolarHBondContact N-O 3.04Å; L120-R172 PolarHBondContact O-N 3.05Å; R172-Y174 HydrophobicContact CB-CE2 4.15Å; R172-L207 WeakPolarHBondContact CD-O 3.23Å; R172-L207 PolarHBondContact NE-O 3.07Å; R172-E208 PolarHBondContact NH1-O 3.42Å; R172-E208 VanDerWaalsContact NH2-CA 3.3Å; R172-E208 VanDerWaalsContact NH2-CB 3.32Å; R172-E208 PolarHBondContact NH2-O 3.27Å; R172-T210 HydrophobicContact CB-CG2 3.75Å; R172-T210 HydrophobicContact CG-CG2 4.11Å
173V98.2Very high95.5Very high49 Ų4967.4 Ų67.430%0.29734%0.343SS..EExtended strand (participates in β ladder)trans-132.1122.5176.2-174.10000107.5T117 I118 K119 R170 A175 T210T117-V173 HydrophobicContact CG2-CG1 3.46Å; T117-V173 VanDerWaalsContact CG2-CG1 3.46Å; I118-V173 CarbonylContact O-C 3.42Å; I118-V173 WeakPolarHBondContact O-CA 3.48Å; K119-V173 HydrophobicContact CG-CG1 4.28Å; K119-V173 HydrophobicContact CG-CG2 4.26Å; R170-V173 HydrophobicContact CG-CG2 4.13Å; V173-A175 HydrophobicContact CG1-CB 4.39Å; V173-T210 VanDerWaalsContact O-CB 3.29Å; V173-T210 WeakPolarHBondContact O-CB 3.25Å
174Y98.2Very high95.8Very high1 Ų159.4 Ų59.40%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-108.7109.5175.4-44.3-96.7000106.9L111 I118 L120 R172 F194 W205 L207 I209 T210L111-Y174 HydrophobicContact CD2-CE2 3.92Å; I118-Y174 HydrophobicContact CB-CD2 4.09Å; I118-Y174 HydrophobicContact CG2-CD2 3.99Å; I118-Y174 PolarHBondContact N-O 3.25Å; I118-Y174 PolarHBondContact O-N 2.65Å; L120-Y174 HydrophobicContact CB-CE2 4.13Å; R172-Y174 HydrophobicContact CB-CE2 4.15Å; Y174-F194 HydrophobicContact CD1-CE1 4.25Å; Y174-F194 AromaticContact CD1-CZ 3.97Å; Y174-F194 HydrophobicContact CD1-CZ 3.97Å; Y174-F194 HydrophobicContact CD2-CE1 4.44Å; Y174-F194 AromaticContact CD2-CZ 3.85Å; Y174-F194 HydrophobicContact CD2-CZ 3.85Å; Y174-F194 AromaticContact CE1-CE1 3.81Å; Y174-F194 HydrophobicContact CE1-CE1 3.81Å; Y174-F194 AromaticContact CE1-CZ 3.98Å; Y174-F194 HydrophobicContact CE1-CZ 3.98Å; Y174-F194 HydrophobicContact CE2-CE1 4Å; Y174-F194 AromaticContact CE2-CZ 3.85Å; Y174-F194 HydrophobicContact CE2-CZ 3.85Å; Y174-F194 AromaticContact CG-CZ 3.91Å; Y174-F194 HydrophobicContact CG-CZ 3.91Å; Y174-F194 AromaticContact CZ-CE1 3.67Å; Y174-F194 AromaticContact CZ-CZ 3.92Å; Y174-W205 HydrophobicContact CD1-CD2 4.23Å; Y174-W205 AromaticContact CD1-CE3 3.63Å; Y174-W205 HydrophobicContact CD1-CE3 3.63Å; Y174-W205 HydrophobicContact CD1-CZ3 4.05Å; Y174-W205 HydrophobicContact CG-CE3 4.18Å; Y174-W205 HydrophobicContact CG-CZ3 4.35Å; Y174-L207 WeakPolarHBondContact OH-CA 3.21Å; Y174-L207 PolarHBondContact OH-O 2.68Å; Y174-I209 WeakPolarHBondContact CE1-O 3.38Å; Y174-T210 HydrophobicContact CD1-CG2 3.93Å; Y174-T210 HydrophobicContact CE1-CG2 3.82Å
175A94.7Very high96.2Very high33 Ų3354.5 Ų54.527%0.27328%0.281SS..  trans-132.8169.4-171.800000110.6T117 V173 A177T117-A175 HydrophobicContact CG2-CB 4.12Å; V173-A175 HydrophobicContact CG1-CB 4.39Å; A175-A177 VanDerWaalsContact C-N 3.27Å; A175-A177 PolarHBondContact O-N 3.29Å
176N92.2Very high96.5Very high165 Ų16552.3 Ų52.388%0.88227%0.269SS*.SBendtrans60.824.7170.6-56.2-38.4000116
177A95.8Very high96.7Very high26 Ų2651.9 Ų51.922%0.21527%0.266CS..  trans-108.4-14.5175.400000114.1A175 N203 W205 S213A175-A177 VanDerWaalsContact C-N 3.27Å; A175-A177 PolarHBondContact O-N 3.29Å; A177-N203 PolarHBondContact O-ND2 3.06Å; A177-W205 HydrophobicContact CB-CH2 3.29Å; A177-W205 HydrophobicContact CB-CZ2 3.27Å; A177-W205 HydrophobicContact CB-CZ3 4.45Å; A177-S213 WeakPolarHBondContact CB-OG 3.44Å
178H95.9Very high96.9Very high12 Ų1248 Ų486%0.05625%0.248CC..  trans-110.7128-178.6-75.6-75.1000111.1I182 S196 D198 N203H178-I182 HydrophobicContact CB-CD1 4.22Å; H178-I182 HydrophobicContact CB-CG1 3.9Å; H178-S196 PolarHBondContact CE1-O 2.88Å; H178-S196 WeakPolarHBondContact NE2-CB 3.28Å; H178-S196 PolarHBondContact NE2-OG 2.89Å; H178-D198 HydrophobicContact CB-CB 4.4Å; H178-D198 IonicContact CE1-OD2 2.86Å; H178-D198 IonicContact CG-OD2 3.4Å; H178-D198 WeakPolarHBondContact ND1-CB 3.36Å; H178-D198 IonicContact ND1-OD2 3.59Å; H178-D198 PolarHBondContact ND1-OD2 2.89Å; H178-N203 PolarHBondContact CE1-ND2 2.84Å; H178-N203 PolarHBondContact NE2-ND2 2.93Å
179A93.6Very high96.9Very high45 Ų4547.9 Ų47.937%0.37225%0.245SC..SBendtrans-84.4-32.617300000110.8K116K116-A179 PolarHBondContact NZ-O 3.15Å
180Y94.9Very high96.9Very high56 Ų5648.4 Ų48.422%0.2224%0.244CC..SBendtrans-109-166.1-176.1-52.4-81.1000111.2K116 D198 D199 L200 M224K116-Y180 VanDerWaalsContact NZ-C 3.3Å; K116-Y180 PolarHBondContact NZ-O 3.01Å; Y180-D198 PolarHBondContact N-OD2 2.83Å; Y180-D199 WeakPolarHBondContact CB-OD2 3.38Å; Y180-L200 HydrophobicContact CD2-CB 4.08Å; Y180-L200 HydrophobicContact CD2-CD1 4.1Å; Y180-L200 HydrophobicContact CD2-CG 4.19Å; Y180-L200 HydrophobicContact CE1-CD1 4.08Å; Y180-L200 HydrophobicContact CE2-CB 4.09Å; Y180-L200 HydrophobicContact CE2-CD1 3.54Å; Y180-L200 HydrophobicContact CE2-CG 4.11Å; Y180-M224 HydrophobicContact CE1-CE 4.39Å
181H96Very high96.9Very high93 Ų9343 Ų4343%0.43123%0.225SC..  trans-90.2121.2-170.6-68.4-147.4000110D115 N183 D198 D199D115-H181 HydrophobicContact CB-CB 4.37Å; D115-H181 IonicContact OD1-ND1 3.63Å; D115-H181 IonicContact OD2-CE1 3.82Å; D115-H181 IonicContact OD2-CG 3.38Å; D115-H181 IonicContact OD2-ND1 2.71Å; D115-H181 PolarHBondContact OD2-ND1 3.23Å; D115-H181 VanDerWaalsContact OD2-ND1 3.15Å; H181-N183 PolarHBondContact O-N 2.72Å; H181-N183 VanDerWaalsContact O-N 3.09Å; H181-D198 VanDerWaalsContact O-CA 3.24Å; H181-D198 WeakPolarHBondContact O-CA 3.43Å; H181-D198 WeakPolarHBondContact O-CB 3.41Å; H181-D199 PolarHBondContact N-OD2 2.98Å; H181-D199 VanDerWaalsContact N-OD2 3.11Å
182I98.4Very high96.9Very high1 Ų141 Ų411%0.00522%0.222CC..  trans-64.7114.1178-62166.9000109.3N96 T113 D115 I118 H178 A197N96-I182 PolarHBondContact ND2-O 3.13Å; T113-I182 HydrophobicContact CG2-CG2 3.91Å; D115-I182 WeakPolarHBondContact O-CG1 3.4Å; D115-I182 PolarHBondContact O-N 3.11Å; I118-I182 HydrophobicContact CD1-CD1 4.15Å; I118-I182 HydrophobicContact CG1-CD1 4.01Å; H178-I182 HydrophobicContact CB-CD1 4.22Å; H178-I182 HydrophobicContact CB-CG1 3.9Å; I182-A197 CarbonylContact C-O 3.54Å; I182-A197 WeakPolarHBondContact CA-O 3.37Å
183N97.2Very high96.9Very high19 Ų1938.4 Ų38.410%0.10222%0.215CC..  trans-101.5-21.61796054.7000112.8R97 H181 A197 D198 I231 T232R97-N183 PolarHBondContact NE-O 2.89Å; H181-N183 PolarHBondContact O-N 2.72Å; H181-N183 VanDerWaalsContact O-N 3.09Å; N183-A197 PolarHBondContact N-O 3.02Å; N183-A197 PolarHBondContact OD1-O 2.9Å; N183-D198 PolarHBondContact ND2-O 2.93Å; N183-I231 PolarHBondContact ND2-O 2.77Å; N183-T232 PolarHBondContact OD1-O 3.15Å
184S98.4Very high96.9Very high3 Ų336.1 Ų36.12%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-138.6148.1-173.6-56.70000113.6S196 A197 V233 A234S184-S196 WeakPolarHBondContact O-CA 3.45Å; S184-A197 PolarHBondContact N-O 3.04Å; S184-A197 PolarHBondContact O-N 2.85Å; S184-A197 VanDerWaalsContact O-N 3.07Å; S184-V233 WeakPolarHBondContact OG-CA 3.34Å; S184-A234 PolarHBondContact OG-N 2.67Å
185L98.3Very high96.9Very high1 Ų136 Ų361%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-141.9131.1172.8-166.771.2000107.8R97 R99 L111 I118 F194 L195R97-L185 HydrophobicContact CB-CB 4.16Å; R99-L185 HydrophobicContact CB-CD2 4.28Å; R99-L185 HydrophobicContact CG-CB 4.13Å; R99-L185 HydrophobicContact CG-CD2 4.22Å; R99-L185 HydrophobicContact CG-CG 4.24Å; R99-L185 VanDerWaalsContact CG-O 3.29Å; R99-L185 WeakPolarHBondContact CG-O 3.24Å; R99-L185 PolarHBondContact NE-O 3.15Å; L111-L185 HydrophobicContact CB-CD2 3.46Å; L111-L185 VanDerWaalsContact CB-CD2 3.46Å; L111-L185 HydrophobicContact CD1-CD2 4.17Å; L111-L185 HydrophobicContact CD1-CG 4.42Å; L111-L185 HydrophobicContact CG-CD2 4.45Å; I118-L185 HydrophobicContact CD1-CD1 4.09Å; I118-L185 HydrophobicContact CG1-CD1 4.27Å; I118-L185 HydrophobicContact CG2-CD1 3.98Å; I118-L185 HydrophobicContact CG2-CD2 4.31Å; L185-F194 HydrophobicContact CD1-CD2 3.64Å; L185-F194 HydrophobicContact CD1-CE2 3.75Å; L185-L195 WeakPolarHBondContact CA-O 3.29Å
186S98.7Very high97.1Very high16 Ų1634.5 Ų34.511%0.11219%0.188CC..EExtended strand (participates in β ladder)trans-146.7128.1179.2-167.10000110.9F194 L195 F236S186-F194 CarbonylContact O-C 3.54Å; S186-F194 VanDerWaalsContact O-CA 3.27Å; S186-F194 WeakPolarHBondContact O-CA 3.4Å; S186-F194 VanDerWaalsContact O-CB 3.31Å; S186-F194 WeakPolarHBondContact O-CB 3.42Å; S186-L195 PolarHBondContact N-O 3.29Å; S186-L195 PolarHBondContact O-N 2.82Å; S186-F236 WeakPolarHBondContact O-CD2 3.29Å; S186-F236 PolarHBondContact OG-N 3.43Å
187V98.4Very high97.5Very high28 Ų2826.6 Ų26.617%0.1715%0.146CC..EExtended strand (participates in β ladder)trans-85.2134-179.2-179.70000108.4R99 L101 L111R99-V187 HydrophobicContact CB-CG2 4.06Å; L101-V187 HydrophobicContact CD2-CB 4.28Å; L101-V187 HydrophobicContact CD2-CG1 3.63Å; L101-V187 HydrophobicContact CD2-CG2 3.58Å; L111-V187 HydrophobicContact CD1-CG2 4.05Å
188N98.4Very high97.6Very high3 Ų325.4 Ų25.42%0.01614%0.135CC..  trans-75.8149.7179.5-163.5-21.9000110.7D190 Q191 T193 F236 C241N188-D190 WeakPolarHBondContact CB-OD1 3.42Å; N188-D190 PolarHBondContact ND2-OD2 3.36Å; N188-D190 PolarHBondContact O-N 3.16Å; N188-D190 PolarHBondContact OD1-N 2.92Å; N188-Q191 PolarHBondContact O-N 2.83Å; N188-Q191 PolarHBondContact O-NE2 3.45Å; N188-T193 VanDerWaalsContact CB-O 3.23Å; N188-T193 WeakPolarHBondContact CB-O 3.41Å; N188-T193 WeakPolarHBondContact CB-OG1 3.08Å; N188-T193 PolarHBondContact N-O 3.16Å; N188-T193 PolarHBondContact ND2-OG1 3.08Å; N188-F236 HydrophobicContact CB-CD2 3.78Å; N188-F236 HydrophobicContact CB-CE2 3.7Å; N188-F236 HydrophobicContact CB-CG 4.23Å; N188-F236 HydrophobicContact CB-CZ 4.14Å; N188-C241 PolarHBondContact ND2-O 3.05Å; N188-C241 WeakPolarHBondContact OD1-CA 3.38Å; N188-C241 WeakPolarHBondContact OD1-CB 3.47Å; N188-C241 PolarHBondContact OD1-O 2.87Å
189S97.6Very high97.6Very high30 Ų3026.8 Ų26.821%0.2114%0.143CC..THydrogen-bonded Turntrans-58.9-21.817362.20000113.7Q191 P238 C241S189-Q191 PolarHBondContact O-N 3.29Å; S189-Q191 PolarHBondContact O-NE2 3.15Å; S189-P238 WeakPolarHBondContact CB-O 3.38Å; S189-C241 VanDerWaalsContact OG-CA 3.25Å; S189-C241 WeakPolarHBondContact OG-CA 3.43Å; S189-C241 WeakPolarHBondContact OG-CB 3.45Å; S189-C241 PolarHBondContact OG-N 2.94Å
190D97.6Very high97.8Very high59 Ų5924.7 Ų24.732%0.31613%0.126SC..THydrogen-bonded Turntrans-67.2-14.5175.469.313.8000114.5N188 E192 T193 C241N188-D190 WeakPolarHBondContact CB-OD1 3.42Å; N188-D190 PolarHBondContact ND2-OD2 3.36Å; N188-D190 PolarHBondContact O-N 3.16Å; N188-D190 PolarHBondContact OD1-N 2.92Å; D190-E192 PolarHBondContact O-N 2.85Å; D190-E192 PolarHBondContact OD1-N 2.93Å; D190-T193 PolarHBondContact OD1-N 3.26Å; D190-T193 PolarHBondContact OD1-OG1 2.66Å; D190-T193 PolarHBondContact OD2-OG1 2.83Å; D190-C241 HydrophobicContact CB-CB 4.14Å
191Q96.2Very high97.9Very high34 Ų3425.4 Ų25.416%0.15913%0.128CC..SBendtrans60.120.1-177.4-51.9-57.5-50.400115.4K104 N188 S189K104-Q191 PolarHBondContact NZ-O 3.2Å; N188-Q191 PolarHBondContact O-N 2.83Å; N188-Q191 PolarHBondContact O-NE2 3.45Å; S189-Q191 PolarHBondContact O-N 3.29Å; S189-Q191 PolarHBondContact O-NE2 3.15Å
192E97.7Very high98.1Very high114 Ų11421 Ų2153%0.53311%0.108SC..SBendtrans-124.5-34.9179-71.1-174.517600111.5D190 L207D190-E192 PolarHBondContact O-N 2.85Å; D190-E192 PolarHBondContact OD1-N 2.93Å; E192-L207 WeakPolarHBondContact O-CB 3.45Å; E192-L207 WeakPolarHBondContact O-CG 3.44Å; E192-L207 PolarHBondContact O-N 3.32Å
193T98.5Very high98.1Very high19 Ų1921.2 Ų21.212%0.11711%0.109CC..EExtended strand (participates in β ladder)trans-115162-177.468.40000113.3N188 D190 W205N188-T193 VanDerWaalsContact CB-O 3.23Å; N188-T193 WeakPolarHBondContact CB-O 3.41Å; N188-T193 WeakPolarHBondContact CB-OG1 3.08Å; N188-T193 PolarHBondContact N-O 3.16Å; N188-T193 PolarHBondContact ND2-OG1 3.08Å; D190-T193 PolarHBondContact OD1-N 3.26Å; D190-T193 PolarHBondContact OD1-OG1 2.66Å; D190-T193 PolarHBondContact OD2-OG1 2.83Å; T193-W205 CarbonylContact C-O 3.59Å; T193-W205 WeakPolarHBondContact CA-O 3.39Å; T193-W205 WeakPolarHBondContact CB-O 3.18Å
194F98.8Very high98.1Very high0 Ų022 Ų220%011%0.113CC..EExtended strand (participates in β ladder)trans-150156.4169.871.5-86000109.1L111 I118 Y174 L185 S186 W205 L207L111-F194 HydrophobicContact CD1-CB 4.22Å; L111-F194 HydrophobicContact CD1-CD1 4.07Å; L111-F194 HydrophobicContact CD1-CD2 3.93Å; L111-F194 HydrophobicContact CD1-CE1 4.42Å; L111-F194 HydrophobicContact CD1-CE2 4.31Å; L111-F194 HydrophobicContact CD1-CG 3.8Å; I118-F194 HydrophobicContact CD1-CE2 4.07Å; I118-F194 HydrophobicContact CG2-CE2 4.18Å; I118-F194 HydrophobicContact CG2-CZ 4.38Å; Y174-F194 HydrophobicContact CD1-CE1 4.25Å; Y174-F194 AromaticContact CD1-CZ 3.97Å; Y174-F194 HydrophobicContact CD1-CZ 3.97Å; Y174-F194 HydrophobicContact CD2-CE1 4.44Å; Y174-F194 AromaticContact CD2-CZ 3.85Å; Y174-F194 HydrophobicContact CD2-CZ 3.85Å; Y174-F194 AromaticContact CE1-CE1 3.81Å; Y174-F194 HydrophobicContact CE1-CE1 3.81Å; Y174-F194 AromaticContact CE1-CZ 3.98Å; Y174-F194 HydrophobicContact CE1-CZ 3.98Å; Y174-F194 HydrophobicContact CE2-CE1 4Å; Y174-F194 AromaticContact CE2-CZ 3.85Å; Y174-F194 HydrophobicContact CE2-CZ 3.85Å; Y174-F194 AromaticContact CG-CZ 3.91Å; Y174-F194 HydrophobicContact CG-CZ 3.91Å; Y174-F194 AromaticContact CZ-CE1 3.67Å; Y174-F194 AromaticContact CZ-CZ 3.92Å; L185-F194 HydrophobicContact CD1-CD2 3.64Å; L185-F194 HydrophobicContact CD1-CE2 3.75Å; S186-F194 CarbonylContact O-C 3.54Å; S186-F194 VanDerWaalsContact O-CA 3.27Å; S186-F194 WeakPolarHBondContact O-CA 3.4Å; S186-F194 VanDerWaalsContact O-CB 3.31Å; S186-F194 WeakPolarHBondContact O-CB 3.42Å; F194-W205 HydrophobicContact CD1-CB 3.8Å; F194-W205 HydrophobicContact CD2-CB 4.29Å; F194-W205 HydrophobicContact CD2-CG 4.42Å; F194-W205 HydrophobicContact CE1-CB 3.34Å; F194-W205 HydrophobicContact CE1-CG 4.03Å; F194-W205 HydrophobicContact CE2-CB 3.86Å; F194-W205 AromaticContact CE2-CD1 3.53Å; F194-W205 AromaticContact CE2-CG 3.73Å; F194-W205 HydrophobicContact CE2-CG 3.73Å; F194-W205 HydrophobicContact CG-CB 4.26Å; F194-W205 HydrophobicContact CZ-CB 3.38Å; F194-W205 AromaticContact CZ-CD1 3.83Å; F194-W205 HydrophobicContact CZ-CD2 4.18Å; F194-W205 AromaticContact CZ-CG 3.52Å; F194-W205 HydrophobicContact CZ-CG 3.52Å; F194-W205 PolarHBondContact N-O 2.83Å; F194-W205 PolarHBondContact O-N 3.06Å; F194-L207 HydrophobicContact CD1-CD2 3.56Å; F194-L207 HydrophobicContact CD1-CG 4.09Å; F194-L207 HydrophobicContact CE1-CD2 3.96Å
195L98.6Very high98.1Very high0 Ų022.1 Ų22.10%011%0.113CC..EExtended strand (participates in β ladder)trans-106.1151.6174.266.777.5000110.2L185 S186 I202 N203 A234 F236 F244L185-L195 WeakPolarHBondContact CA-O 3.29Å; S186-L195 PolarHBondContact N-O 3.29Å; S186-L195 PolarHBondContact O-N 2.82Å; L195-I202 HydrophobicContact CB-CG2 4.06Å; L195-I202 HydrophobicContact CD1-CG2 4.34Å; L195-I202 HydrophobicContact CD2-CG2 4.35Å; L195-I202 HydrophobicContact CG-CG2 4.48Å; L195-N203 CarbonylContact C-O 3.52Å; L195-N203 VanDerWaalsContact CA-O 3.22Å; L195-N203 WeakPolarHBondContact CA-O 3.48Å; L195-A234 HydrophobicContact CD1-CB 3.91Å; L195-F236 HydrophobicContact CB-CD2 4.3Å; L195-F236 HydrophobicContact CB-CE2 3.6Å; L195-F236 HydrophobicContact CB-CZ 3.99Å; L195-F236 HydrophobicContact CD2-CD1 4.11Å; L195-F236 HydrophobicContact CD2-CD2 3.63Å; L195-F236 HydrophobicContact CD2-CE1 3.98Å; L195-F236 HydrophobicContact CD2-CE2 3.54Å; L195-F236 HydrophobicContact CD2-CG 3.92Å; L195-F236 HydrophobicContact CD2-CZ 3.7Å; L195-F236 HydrophobicContact CG-CD2 3.71Å; L195-F236 HydrophobicContact CG-CE2 3.52Å; L195-F236 HydrophobicContact CG-CG 4.47Å; L195-F236 HydrophobicContact CG-CZ 4.11Å; L195-F244 HydrophobicContact CD2-CB 3.96Å; L195-F244 HydrophobicContact CD2-CD2 4.22Å; L195-F244 HydrophobicContact CD2-CG 4.14Å
196S98.8Very high98.1Very high0 Ų024.8 Ų24.80%013%0.125CC..EExtended strand (participates in β ladder)trans-128.8137.4162.356.10000109.4I118 H178 S184 I202 N203 W205I118-S196 VanDerWaalsContact CD1-CB 3.44Å; I118-S196 WeakPolarHBondContact CD1-OG 3.34Å; H178-S196 PolarHBondContact CE1-O 2.88Å; H178-S196 WeakPolarHBondContact NE2-CB 3.28Å; H178-S196 PolarHBondContact NE2-OG 2.89Å; S184-S196 WeakPolarHBondContact O-CA 3.45Å; S196-I202 WeakPolarHBondContact O-CA 3.2Å; S196-N203 PolarHBondContact N-O 2.84Å; S196-N203 PolarHBondContact O-N 3Å; S196-W205 PolarHBondContact OG-NE1 2.94Å
197A98.7Very high98.1Very high0 Ų024.8 Ų24.80%012%0.124CC..EExtended strand (participates in β ladder)trans-116.8136176.900000110.2I182 N183 S184 R201 I202 I231 A234I182-A197 CarbonylContact C-O 3.54Å; I182-A197 WeakPolarHBondContact CA-O 3.37Å; N183-A197 PolarHBondContact N-O 3.02Å; N183-A197 PolarHBondContact OD1-O 2.9Å; S184-A197 PolarHBondContact N-O 3.04Å; S184-A197 PolarHBondContact O-N 2.85Å; S184-A197 VanDerWaalsContact O-N 3.07Å; A197-R201 CarbonylContact C-O 3.52Å; A197-R201 VanDerWaalsContact CA-O 3.31Å; A197-R201 WeakPolarHBondContact CA-O 3.44Å; A197-I202 HydrophobicContact CB-CD1 4.44Å; A197-I202 HydrophobicContact CB-CG1 3.81Å; A197-I231 HydrophobicContact CB-CG2 4.23Å; A197-A234 HydrophobicContact CB-CB 3.73Å
198D98Very high98.1Very high0 Ų029.7 Ų29.70%015%0.145CC..  trans-105.2-169.7161.669.829.2000110.5H178 Y180 H181 N183 L200 R201H178-D198 HydrophobicContact CB-CB 4.4Å; H178-D198 IonicContact CE1-OD2 2.86Å; H178-D198 IonicContact CG-OD2 3.4Å; H178-D198 WeakPolarHBondContact ND1-CB 3.36Å; H178-D198 IonicContact ND1-OD2 3.59Å; H178-D198 PolarHBondContact ND1-OD2 2.89Å; Y180-D198 PolarHBondContact N-OD2 2.83Å; H181-D198 VanDerWaalsContact O-CA 3.24Å; H181-D198 WeakPolarHBondContact O-CA 3.43Å; H181-D198 WeakPolarHBondContact O-CB 3.41Å; N183-D198 PolarHBondContact ND2-O 2.93Å; D198-L200 PolarHBondContact O-N 2.73Å; D198-L200 VanDerWaalsContact O-N 3.15Å; D198-L200 PolarHBondContact OD1-N 2.92Å; D198-R201 PolarHBondContact N-O 2.88Å; D198-R201 WeakPolarHBondContact OD1-CB 3.38Å; D198-R201 PolarHBondContact OD1-N 2.9Å
199D97.3Very high98Very high41 Ų4132.9 Ų32.922%0.21916%0.161CC..SBendtrans-61.8-20.3-175.7-53.7-54.5000114Y180 H181 V230 I231Y180-D199 WeakPolarHBondContact CB-OD2 3.38Å; H181-D199 PolarHBondContact N-OD2 2.98Å; H181-D199 VanDerWaalsContact N-OD2 3.11Å; D199-V230 HydrophobicContact CB-CB 4.4Å; D199-V230 CarbonylContact O-C 3.54Å; D199-V230 WeakPolarHBondContact O-CA 3.33Å; D199-V230 WeakPolarHBondContact O-CB 3.45Å; D199-I231 PolarHBondContact O-N 2.82Å
200L97.7Very high98.1Very high2 Ų233.9 Ų33.91%0.0117%0.166CC..SBendtrans-133.7-12.7-177.2-60.4-179.8000114.5Y180 D198 A219 K220 M224 L227 V230Y180-L200 HydrophobicContact CD2-CB 4.08Å; Y180-L200 HydrophobicContact CD2-CD1 4.1Å; Y180-L200 HydrophobicContact CD2-CG 4.19Å; Y180-L200 HydrophobicContact CE1-CD1 4.08Å; Y180-L200 HydrophobicContact CE2-CB 4.09Å; Y180-L200 HydrophobicContact CE2-CD1 3.54Å; Y180-L200 HydrophobicContact CE2-CG 4.11Å; D198-L200 PolarHBondContact O-N 2.73Å; D198-L200 VanDerWaalsContact O-N 3.15Å; D198-L200 PolarHBondContact OD1-N 2.92Å; L200-A219 WeakPolarHBondContact O-CA 3.47Å; L200-A219 WeakPolarHBondContact O-CB 3.48Å; L200-A219 PolarHBondContact O-N 3.09Å; L200-K220 HydrophobicContact CB-CB 4.41Å; L200-K220 HydrophobicContact CD1-CB 4.18Å; L200-K220 HydrophobicContact CD1-CG 4.17Å; L200-M224 HydrophobicContact CD1-CE 4.36Å; L200-M224 HydrophobicContact CD1-SD 4.36Å; L200-L227 HydrophobicContact CD1-CD1 4.47Å; L200-L227 HydrophobicContact CD2-CD1 3.5Å; L200-L227 VanDerWaalsContact CD2-CD1 3.5Å; L200-V230 HydrophobicContact CD2-CG1 4.07Å
201R97.7Very high98Very high70 Ų7037.1 Ų37.126%0.26418%0.184SC..EExtended strand (participates in β ladder)trans-136.5144.4-170.8-74.7178.5175-172.7-10.2112.8A197 D198 V217 D218A197-R201 CarbonylContact C-O 3.52Å; A197-R201 VanDerWaalsContact CA-O 3.31Å; A197-R201 WeakPolarHBondContact CA-O 3.44Å; D198-R201 PolarHBondContact N-O 2.88Å; D198-R201 WeakPolarHBondContact OD1-CB 3.38Å; D198-R201 PolarHBondContact OD1-N 2.9Å; R201-V217 VanDerWaalsContact CA-O 3.3Å; R201-V217 WeakPolarHBondContact CA-O 3.48Å; R201-D218 WeakPolarHBondContact CG-OD1 3.34Å; R201-D218 IonicContact CZ-OD1 2.86Å; R201-D218 IonicContact CZ-OD2 3.49Å; R201-D218 VanDerWaalsContact NE-CG 3.34Å; R201-D218 IonicContact NE-OD1 3.51Å; R201-D218 PolarHBondContact NE-OD1 3.18Å; R201-D218 IonicContact NE-OD2 2.74Å; R201-D218 PolarHBondContact NE-OD2 3.21Å; R201-D218 IonicContact NH2-OD1 3.9Å; R201-D218 IonicContact NH2-OD2 3.57Å; R201-D218 PolarHBondContact NH2-OD2 2.89Å
202I98.5Very high98Very high0 Ų041.9 Ų41.90%021%0.206CC..EExtended strand (participates in β ladder)trans-116.5124.5169.3-51-178.4000108.6L195 S196 A197 N215 I216 V217 I231 A234 F244 Y246L195-I202 HydrophobicContact CB-CG2 4.06Å; L195-I202 HydrophobicContact CD1-CG2 4.34Å; L195-I202 HydrophobicContact CD2-CG2 4.35Å; L195-I202 HydrophobicContact CG-CG2 4.48Å; S196-I202 WeakPolarHBondContact O-CA 3.2Å; A197-I202 HydrophobicContact CB-CD1 4.44Å; A197-I202 HydrophobicContact CB-CG1 3.81Å; I202-N215 PolarHBondContact O-ND2 3.05Å; I202-I216 HydrophobicContact CB-CG1 4.06Å; I202-I216 HydrophobicContact CG2-CD1 3.89Å; I202-I216 HydrophobicContact CG2-CG1 3.85Å; I202-I216 WeakPolarHBondContact O-CG1 3.23Å; I202-I216 PolarHBondContact O-N 3.46Å; I202-V217 HydrophobicContact CB-CB 3.92Å; I202-V217 HydrophobicContact CB-CG2 4.2Å; I202-V217 HydrophobicContact CD1-CB 4.14Å; I202-V217 HydrophobicContact CD1-CG2 3.99Å; I202-V217 HydrophobicContact CG1-CB 3.95Å; I202-V217 HydrophobicContact CG1-CG2 4.28Å; I202-V217 PolarHBondContact N-O 3.04Å; I202-V217 PolarHBondContact O-N 3.09Å; I202-I231 HydrophobicContact CD1-CD1 4.18Å; I202-I231 HydrophobicContact CG1-CD1 3.83Å; I202-A234 HydrophobicContact CD1-CB 3.98Å; I202-F244 HydrophobicContact CD1-CD2 4.44Å; I202-F244 HydrophobicContact CD1-CE2 3.84Å; I202-Y246 HydrophobicContact CD1-CD1 3.87Å; I202-Y246 HydrophobicContact CD1-CG 3.86Å
203N98.4Very high98Very high6 Ų638.6 Ų38.63%0.03220%0.196CC..EExtended strand (participates in β ladder)trans-112.2135178.9-65.7-32.3000110.1A177 H178 L195 S196 F214 N215A177-N203 PolarHBondContact O-ND2 3.06Å; H178-N203 PolarHBondContact CE1-ND2 2.84Å; H178-N203 PolarHBondContact NE2-ND2 2.93Å; L195-N203 CarbonylContact C-O 3.52Å; L195-N203 VanDerWaalsContact CA-O 3.22Å; L195-N203 WeakPolarHBondContact CA-O 3.48Å; S196-N203 PolarHBondContact N-O 2.84Å; S196-N203 PolarHBondContact O-N 3Å; N203-F214 CarbonylContact C-O 3.06Å; N203-F214 WeakPolarHBondContact CA-O 3.4Å; N203-N215 WeakPolarHBondContact OD1-CA 3.49Å; N203-N215 WeakPolarHBondContact OD1-CB 3.22Å; N203-N215 PolarHBondContact OD1-ND2 3.09Å
204L98.4Very high97.9Very high35 Ų3542.5 Ų42.518%0.18321%0.211CC..EExtended strand (participates in β ladder)trans-94.4133.7171-17468.5000109.9S213 F214 I216 F236 M258L204-S213 WeakPolarHBondContact O-CA 3.49Å; L204-F214 HydrophobicContact CB-CB 4.5Å; L204-F214 PolarHBondContact N-O 2.71Å; L204-F214 PolarHBondContact O-N 2.75Å; L204-I216 HydrophobicContact CB-CD1 4.39Å; L204-I216 HydrophobicContact CB-CG2 3.85Å; L204-I216 HydrophobicContact CD2-CG2 4.44Å; L204-F236 HydrophobicContact CD1-CE2 4.27Å; L204-F236 HydrophobicContact CD1-CZ 3.74Å; L204-M258 HydrophobicContact CD2-SD 4.4Å
205W98.7Very high97.9Very high6 Ų644.5 Ų44.52%0.02322%0.222CC..EExtended strand (participates in β ladder)trans-124.4149.3-179.7-59.986.3000110.6I118 Y174 A177 T193 F194 S196I118-W205 HydrophobicContact CD1-CZ2 4.49Å; Y174-W205 HydrophobicContact CD1-CD2 4.23Å; Y174-W205 AromaticContact CD1-CE3 3.63Å; Y174-W205 HydrophobicContact CD1-CE3 3.63Å; Y174-W205 HydrophobicContact CD1-CZ3 4.05Å; Y174-W205 HydrophobicContact CG-CE3 4.18Å; Y174-W205 HydrophobicContact CG-CZ3 4.35Å; A177-W205 HydrophobicContact CB-CH2 3.29Å; A177-W205 HydrophobicContact CB-CZ2 3.27Å; A177-W205 HydrophobicContact CB-CZ3 4.45Å; T193-W205 CarbonylContact C-O 3.59Å; T193-W205 WeakPolarHBondContact CA-O 3.39Å; T193-W205 WeakPolarHBondContact CB-O 3.18Å; F194-W205 HydrophobicContact CD1-CB 3.8Å; F194-W205 HydrophobicContact CD2-CB 4.29Å; F194-W205 HydrophobicContact CD2-CG 4.42Å; F194-W205 HydrophobicContact CE1-CB 3.34Å; F194-W205 HydrophobicContact CE1-CG 4.03Å; F194-W205 HydrophobicContact CE2-CB 3.86Å; F194-W205 AromaticContact CE2-CD1 3.53Å; F194-W205 AromaticContact CE2-CG 3.73Å; F194-W205 HydrophobicContact CE2-CG 3.73Å; F194-W205 HydrophobicContact CG-CB 4.26Å; F194-W205 HydrophobicContact CZ-CB 3.38Å; F194-W205 AromaticContact CZ-CD1 3.83Å; F194-W205 HydrophobicContact CZ-CD2 4.18Å; F194-W205 AromaticContact CZ-CG 3.52Å; F194-W205 HydrophobicContact CZ-CG 3.52Å; F194-W205 PolarHBondContact N-O 2.83Å; F194-W205 PolarHBondContact O-N 3.06Å; S196-W205 PolarHBondContact OG-NE1 2.94Å
206H98.5Very high97.8Very high58 Ų5844.6 Ų44.627%0.26922%0.222SC..EExtended strand (participates in β ladder)trans-94134.3162.8-168.5-92.3000109E208 I209H206-E208 WeakPolarHBondContact ND1-CB 3.21Å; H206-E208 PolarHBondContact ND1-N 2.93Å; H206-E208 PolarHBondContact O-N 2.8Å; H206-I209 HydrophobicContact CB-CB 4.11Å; H206-I209 HydrophobicContact CB-CD1 4.1Å; H206-I209 HydrophobicContact CB-CG1 4.1Å; H206-I209 PolarHBondContact O-N 3.46Å; H206-I209 VanDerWaalsContact O-O 3.05Å
207L98Very high97.8Very high15 Ų1544.9 Ų44.98%0.07922%0.224CC..THydrogen-bonded Turntrans-58.1-18.6179.5-73.7170.4000112.9L101 L111 R172 Y174 E192 F194L101-L207 HydrophobicContact CD1-CD1 4.07Å; L101-L207 HydrophobicContact CD1-CD2 4.03Å; L101-L207 HydrophobicContact CD2-CD1 4.18Å; L101-L207 HydrophobicContact CD2-CD2 4.02Å; L111-L207 HydrophobicContact CD1-CD2 4.33Å; L111-L207 HydrophobicContact CD2-CD2 4.42Å; R172-L207 WeakPolarHBondContact CD-O 3.23Å; R172-L207 PolarHBondContact NE-O 3.07Å; Y174-L207 WeakPolarHBondContact OH-CA 3.21Å; Y174-L207 PolarHBondContact OH-O 2.68Å; E192-L207 WeakPolarHBondContact O-CB 3.45Å; E192-L207 WeakPolarHBondContact O-CG 3.44Å; E192-L207 PolarHBondContact O-N 3.32Å; F194-L207 HydrophobicContact CD1-CD2 3.56Å; F194-L207 HydrophobicContact CD1-CG 4.09Å; F194-L207 HydrophobicContact CE1-CD2 3.96Å
208E97.5Very high97.6Very high131 Ų13148.6 Ų48.661%0.61224%0.244SC*.THydrogen-bonded Turntrans-103.40.4178.2-54.3-156.5149.500116.5R172 H206R172-E208 PolarHBondContact NH1-O 3.42Å; R172-E208 VanDerWaalsContact NH2-CA 3.3Å; R172-E208 VanDerWaalsContact NH2-CB 3.32Å; R172-E208 PolarHBondContact NH2-O 3.27Å; H206-E208 WeakPolarHBondContact ND1-CB 3.21Å; H206-E208 PolarHBondContact ND1-N 2.93Å; H206-E208 PolarHBondContact O-N 2.8Å
209I98.1Very high97.4Very high71 Ų7150.7 Ų50.736%0.36426%0.261SS..  trans-128.2118.5-176.3-56.2176.3000108.6Y174 H206 N211 Q212Y174-I209 WeakPolarHBondContact CE1-O 3.38Å; H206-I209 HydrophobicContact CB-CB 4.11Å; H206-I209 HydrophobicContact CB-CD1 4.1Å; H206-I209 HydrophobicContact CB-CG1 4.1Å; H206-I209 PolarHBondContact O-N 3.46Å; H206-I209 VanDerWaalsContact O-O 3.05Å; I209-N211 WeakPolarHBondContact CG2-OD1 3.33Å; I209-Q212 HydrophobicContact CG2-CB 4.13Å
210T97.8Very high97.3Very high51 Ų5153.2 Ų53.231%0.31327%0.27SS..SBendtrans-107.6-17.9-172.756.10000114.1R172 V173 Y174R172-T210 HydrophobicContact CB-CG2 3.75Å; R172-T210 HydrophobicContact CG-CG2 4.11Å; V173-T210 VanDerWaalsContact O-CB 3.29Å; V173-T210 WeakPolarHBondContact O-CB 3.25Å; Y174-T210 HydrophobicContact CD1-CG2 3.93Å; Y174-T210 HydrophobicContact CE1-CG2 3.82Å
211N96.1Very high97.1Very high127 Ų12754.5 Ų54.568%0.67928%0.279SS*.SBendtrans-97.11.1-174.864.1-34.8000113.2I209I209-N211 WeakPolarHBondContact CG2-OD1 3.33Å
212Q96.5Very high97Very high133 Ų13356.9 Ų56.962%0.62131%0.313SS*.  trans-144142.4179.5-61.3-178.711.600109.4I209I209-Q212 HydrophobicContact CG2-CB 4.13Å
213S97.2Very high96.8Very high46 Ų4660.1 Ų60.132%0.32233%0.33SS..  trans-137.7156.4166.865.90000108.1A177 L204A177-S213 WeakPolarHBondContact CB-OG 3.44Å; L204-S213 WeakPolarHBondContact O-CA 3.49Å
214F97.6Very high96.5Very high101 Ų10163.7 Ų63.744%0.44335%0.348SS..EExtended strand (participates in β ladder)trans-109.2120.4176.6179.6-120.8000109.4N203 L204 I216 A262 L263N203-F214 CarbonylContact C-O 3.06Å; N203-F214 WeakPolarHBondContact CA-O 3.4Å; L204-F214 HydrophobicContact CB-CB 4.5Å; L204-F214 PolarHBondContact N-O 2.71Å; L204-F214 PolarHBondContact O-N 2.75Å; F214-I216 HydrophobicContact CD1-CG2 3.37Å; F214-I216 HydrophobicContact CE1-CG2 3.63Å; F214-I216 HydrophobicContact CG-CG2 4.4Å; F214-I216 PolarHBondContact O-N 3.07Å; F214-A262 WeakPolarHBondContact CE1-O 3.27Å; F214-A262 HydrophobicContact CZ-CB 4.46Å; F214-L263 HydrophobicContact CE2-CD2 4.38Å; F214-L263 HydrophobicContact CZ-CD2 3.9Å
215N97.3Very high96.3Very high42 Ų4270 Ų7023%0.22538%0.376CS..EExtended strand (participates in β ladder)trans-75.2113176.2-179.1-105.9000109.4I202 N203 V217 D218I202-N215 PolarHBondContact O-ND2 3.05Å; N203-N215 WeakPolarHBondContact OD1-CA 3.49Å; N203-N215 WeakPolarHBondContact OD1-CB 3.22Å; N203-N215 PolarHBondContact OD1-ND2 3.09Å; N215-V217 PolarHBondContact ND2-O 3.03Å; N215-V217 PolarHBondContact OD1-O 3.25Å; N215-D218 WeakPolarHBondContact OD1-CB 3.31Å
216I97.7Very high96Very high2 Ų275.1 Ų75.11%0.0140%0.404CS..EExtended strand (participates in β ladder)trans-100.7-12.1-177.258.7170.5000112.9I202 L204 F214 F244 M258 L263 C264I202-I216 HydrophobicContact CB-CG1 4.06Å; I202-I216 HydrophobicContact CG2-CD1 3.89Å; I202-I216 HydrophobicContact CG2-CG1 3.85Å; I202-I216 WeakPolarHBondContact O-CG1 3.23Å; I202-I216 PolarHBondContact O-N 3.46Å; L204-I216 HydrophobicContact CB-CD1 4.39Å; L204-I216 HydrophobicContact CB-CG2 3.85Å; L204-I216 HydrophobicContact CD2-CG2 4.44Å; F214-I216 HydrophobicContact CD1-CG2 3.37Å; F214-I216 HydrophobicContact CE1-CG2 3.63Å; F214-I216 HydrophobicContact CG-CG2 4.4Å; F214-I216 PolarHBondContact O-N 3.07Å; I216-F244 HydrophobicContact CD1-CD1 4.32Å; I216-F244 HydrophobicContact CD1-CE1 3.72Å; I216-F244 HydrophobicContact CD1-CE2 4.4Å; I216-F244 HydrophobicContact CD1-CZ 3.76Å; I216-F244 HydrophobicContact CG1-CZ 4.36Å; I216-M258 HydrophobicContact CD1-SD 4.23Å; I216-L263 CarbonylContact O-C 3.59Å; I216-C264 VanDerWaalsContact O-CB 3.3Å; I216-C264 WeakPolarHBondContact O-CB 3.47Å
217V97.4Very high95.8Very high6 Ų675.6 Ų75.64%0.03641%0.408CS..EExtended strand (participates in β ladder)trans-145.3130.1171177.60000107.9R201 I202 N215 I231 F244 Y246 C264R201-V217 VanDerWaalsContact CA-O 3.3Å; R201-V217 WeakPolarHBondContact CA-O 3.48Å; I202-V217 HydrophobicContact CB-CB 3.92Å; I202-V217 HydrophobicContact CB-CG2 4.2Å; I202-V217 HydrophobicContact CD1-CB 4.14Å; I202-V217 HydrophobicContact CD1-CG2 3.99Å; I202-V217 HydrophobicContact CG1-CB 3.95Å; I202-V217 HydrophobicContact CG1-CG2 4.28Å; I202-V217 PolarHBondContact N-O 3.04Å; I202-V217 PolarHBondContact O-N 3.09Å; N215-V217 PolarHBondContact ND2-O 3.03Å; N215-V217 PolarHBondContact OD1-O 3.25Å; V217-I231 HydrophobicContact CG1-CD1 4.15Å; V217-F244 HydrophobicContact CG2-CE2 4.01Å; V217-F244 HydrophobicContact CG2-CZ 3.77Å; V217-Y246 HydrophobicContact CG1-CE1 4.35Å; V217-Y246 HydrophobicContact CG2-CE1 4.24Å; V217-C264 HydrophobicContact CG2-CB 4.1Å
218D95.7Very high95.5Very high78 Ų7877.3 Ų77.342%0.41742%0.424SS..EExtended strand (participates in β ladder)trans-125.9100.5169.1-159.9-0000109.3R201 N215 K220R201-D218 WeakPolarHBondContact CG-OD1 3.34Å; R201-D218 IonicContact CZ-OD1 2.86Å; R201-D218 IonicContact CZ-OD2 3.49Å; R201-D218 VanDerWaalsContact NE-CG 3.34Å; R201-D218 IonicContact NE-OD1 3.51Å; R201-D218 PolarHBondContact NE-OD1 3.18Å; R201-D218 IonicContact NE-OD2 2.74Å; R201-D218 PolarHBondContact NE-OD2 3.21Å; R201-D218 IonicContact NH2-OD1 3.9Å; R201-D218 IonicContact NH2-OD2 3.57Å; R201-D218 PolarHBondContact NH2-OD2 2.89Å; N215-D218 WeakPolarHBondContact OD1-CB 3.31Å; D218-K220 VanDerWaalsContact C-N 3.3Å; D218-K220 WeakPolarHBondContact OD1-CB 3.45Å; D218-K220 PolarHBondContact OD1-N 2.92Å
219A93.8Very high95.4Very high43 Ų4373.2 Ų73.236%0.35541%0.405SS..  trans-90.56.5175.200000112.3L200 P221 I231L200-A219 WeakPolarHBondContact O-CA 3.47Å; L200-A219 WeakPolarHBondContact O-CB 3.48Å; L200-A219 PolarHBondContact O-N 3.09Å; A219-P221 WeakPolarHBondContact O-CD 3.5Å; A219-I231 HydrophobicContact CB-CD1 4.34Å; A219-I231 HydrophobicContact CB-CG1 4.47Å
220K95Very high95.3Very high95 Ų9571.6 Ų71.641%0.41340%0.399SS..  trans-66.5122.6179.7-176.3-174.9170.4-175.20110.5L200 D218 M224L200-K220 HydrophobicContact CB-CB 4.41Å; L200-K220 HydrophobicContact CD1-CB 4.18Å; L200-K220 HydrophobicContact CD1-CG 4.17Å; D218-K220 VanDerWaalsContact C-N 3.3Å; D218-K220 WeakPolarHBondContact OD1-CB 3.45Å; D218-K220 PolarHBondContact OD1-N 2.92Å; K220-M224 HydrophobicContact CG-SD 4.25Å
221P94.3Very high95.3Very high29 Ų2969.3 Ų69.319%0.18838%0.384CS..  trans-69.5158.3175.131.4-36.7000111.3A219 N223 D226 L227A219-P221 WeakPolarHBondContact O-CD 3.5Å; P221-N223 VanDerWaalsContact C-N 3.32Å; P221-N223 VanDerWaalsContact CB-O 3.31Å; P221-N223 WeakPolarHBondContact CB-O 3.32Å; P221-N223 WeakPolarHBondContact CG-O 3.25Å; P221-N223 PolarHBondContact O-N 2.95Å; P221-D226 HydrophobicContact CB-CB 4.39Å; P221-L227 HydrophobicContact CG-CB 4.22Å; P221-L227 HydrophobicContact CG-CD1 4.28Å
222A93.7Very high95.4Very high119 Ų11963.7 Ų63.798%0.98336%0.355SS*.SBendtrans-62.2-41.5176.800000111.6
223N94.4Very high95.5Very high68 Ų6857.6 Ų57.636%0.36433%0.327SS..SBendtrans-108.7129168.4-174.12.8000109.4P221 E225 D226P221-N223 VanDerWaalsContact C-N 3.32Å; P221-N223 VanDerWaalsContact CB-O 3.31Å; P221-N223 WeakPolarHBondContact CB-O 3.32Å; P221-N223 WeakPolarHBondContact CG-O 3.25Å; P221-N223 PolarHBondContact O-N 2.95Å; N223-E225 PolarHBondContact ND2-OE2 3.07Å; N223-E225 PolarHBondContact O-N 3.37Å; N223-E225 PolarHBondContact OD1-N 3.31Å; N223-D226 PolarHBondContact O-N 2.71Å; N223-D226 VanDerWaalsContact O-N 3.1Å
224M92.4Very high95.6Very high81 Ų8155.6 Ų55.640%0.39931%0.313SS..G310 helixtrans-66.2-19.9178.6-75.5-65.4-5800113.1Y180 L200 K220 D226 L227Y180-M224 HydrophobicContact CE1-CE 4.39Å; L200-M224 HydrophobicContact CD1-CE 4.36Å; L200-M224 HydrophobicContact CD1-SD 4.36Å; K220-M224 HydrophobicContact CG-SD 4.25Å; M224-D226 PolarHBondContact O-N 3.24Å; M224-L227 HydrophobicContact CE-CD2 4.1Å; M224-L227 VanDerWaalsContact O-CB 3.23Å; M224-L227 WeakPolarHBondContact O-CB 3.37Å; M224-L227 PolarHBondContact O-N 3.16Å
225E93.9Very high95.6Very high169 Ų16951.5 Ų51.579%0.7930%0.298SS*.G310 helixtrans-68-23.6173.7-63.4175.3157.800112.5N223 L227N223-E225 PolarHBondContact ND2-OE2 3.07Å; N223-E225 PolarHBondContact O-N 3.37Å; N223-E225 PolarHBondContact OD1-N 3.31Å; E225-L227 PolarHBondContact O-N 3.43Å
226D93.3Very high95.7Very high112 Ų11250 Ų5060%0.59929%0.289SS*.G310 helixtrans-85.611.2177.1-59-34.4000112.2P221 N223 M224 A228P221-D226 HydrophobicContact CB-CB 4.39Å; N223-D226 PolarHBondContact O-N 2.71Å; N223-D226 VanDerWaalsContact O-N 3.1Å; M224-D226 PolarHBondContact O-N 3.24Å; D226-A228 PolarHBondContact O-N 3.5Å
227L93.6Very high95.7Very high68 Ų6850.1 Ų50.136%0.35629%0.29SS..  trans-67.5106.2-178.3-179.363.6000110.7L200 P221 M224 E225 E229 V230L200-L227 HydrophobicContact CD1-CD1 4.47Å; L200-L227 HydrophobicContact CD2-CD1 3.5Å; L200-L227 VanDerWaalsContact CD2-CD1 3.5Å; P221-L227 HydrophobicContact CG-CB 4.22Å; P221-L227 HydrophobicContact CG-CD1 4.28Å; M224-L227 HydrophobicContact CE-CD2 4.1Å; M224-L227 VanDerWaalsContact O-CB 3.23Å; M224-L227 WeakPolarHBondContact O-CB 3.37Å; M224-L227 PolarHBondContact O-N 3.16Å; E225-L227 PolarHBondContact O-N 3.43Å; L227-E229 WeakPolarHBondContact CD1-O 3.49Å; L227-V230 HydrophobicContact CD1-CG1 4.23Å; L227-V230 HydrophobicContact CD2-CG1 4.24Å; L227-V230 HydrophobicContact CG-CG1 4.48Å
228A92.2Very high95.7Very high51 Ų5151.7 Ų51.742%0.42130%0.3SS..  trans-110.4-20.2-176.400000113.6D226 R250D226-A228 PolarHBondContact O-N 3.5Å; A228-R250 PolarHBondContact O-NE 3.08Å; A228-R250 VanDerWaalsContact O-NE 3.15Å
229E94.5Very high95.8Very high45 Ų4553.5 Ų53.521%0.2130%0.304CS..  trans-147.9137.4-170.9-174.2174.8-16700110.4L227 S248 R250 T252 R254L227-E229 WeakPolarHBondContact CD1-O 3.49Å; E229-S248 WeakPolarHBondContact OE1-CB 3.22Å; E229-S248 PolarHBondContact OE1-OG 3.4Å; E229-R250 HydrophobicContact CB-CG 4.39Å; E229-R250 HydrophobicContact CG-CB 4.47Å; E229-R250 HydrophobicContact CG-CG 4.23Å; E229-T252 PolarHBondContact OE1-OG1 3Å; E229-T252 VanDerWaalsContact OE1-OG1 3.06Å; E229-R254 VanDerWaalsContact CD-NH2 3.3Å; E229-R254 IonicContact OE1-CZ 3.68Å; E229-R254 VanDerWaalsContact OE1-CZ 3.3Å; E229-R254 IonicContact OE1-NH1 3.69Å; E229-R254 PolarHBondContact OE1-NH1 2.93Å; E229-R254 IonicContact OE1-NH2 2.8Å; E229-R254 PolarHBondContact OE1-NH2 2.95Å; E229-R254 IonicContact OE2-CZ 3.79Å; E229-R254 IonicContact OE2-NH1 3.01Å; E229-R254 IonicContact OE2-NH2 3.3Å; E229-R254 PolarHBondContact OE2-NH2 2.81Å
230V97.2Very high96Very high38 Ų3856 Ų5623%0.2331%0.309CS..  trans-123.6150.3174.5-62.10000111D199 L200 L227 T232 S248 S249D199-V230 HydrophobicContact CB-CB 4.4Å; D199-V230 CarbonylContact O-C 3.54Å; D199-V230 WeakPolarHBondContact O-CA 3.33Å; D199-V230 WeakPolarHBondContact O-CB 3.45Å; L200-V230 HydrophobicContact CD2-CG1 4.07Å; L227-V230 HydrophobicContact CD1-CG1 4.23Å; L227-V230 HydrophobicContact CD2-CG1 4.24Å; L227-V230 HydrophobicContact CG-CG1 4.48Å; V230-T232 HydrophobicContact CG2-CG2 4.32Å; V230-S248 CarbonylContact O-C 3.58Å; V230-S248 WeakPolarHBondContact O-CA 2.89Å; V230-S248 WeakPolarHBondContact O-CB 3.48Å; V230-S249 WeakPolarHBondContact CG2-OG 3.42Å; V230-S249 PolarHBondContact N-OG 3.23Å; V230-S249 VanDerWaalsContact N-OG 3.07Å; V230-S249 PolarHBondContact O-N 3.22Å
231I98.3Very high96.1Very high2 Ų253.7 Ų53.71%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-75.7123.2172.4-57.6177.3000107.9N183 A197 D199 I202 V217 A219 Y246N183-I231 PolarHBondContact ND2-O 2.77Å; A197-I231 HydrophobicContact CB-CG2 4.23Å; D199-I231 PolarHBondContact O-N 2.82Å; I202-I231 HydrophobicContact CD1-CD1 4.18Å; I202-I231 HydrophobicContact CG1-CD1 3.83Å; V217-I231 HydrophobicContact CG1-CD1 4.15Å; A219-I231 HydrophobicContact CB-CD1 4.34Å; A219-I231 HydrophobicContact CB-CG1 4.47Å; I231-Y246 HydrophobicContact CD1-CD2 4.35Å; I231-Y246 HydrophobicContact CD1-CE2 4.49Å; I231-Y246 HydrophobicContact CG1-CD2 4.02Å; I231-Y246 HydrophobicContact CG1-CE2 4.25Å; I231-Y246 HydrophobicContact CG2-CD2 4.24Å
232T98.2Very high96.3Very high9 Ų952.9 Ų52.96%0.05530%0.298CS..EExtended strand (participates in β ladder)trans-106.2-27.6-176.352.10000112.9N183 V230 G247 S248 V290N183-T232 PolarHBondContact OD1-O 3.15Å; V230-T232 HydrophobicContact CG2-CG2 4.32Å; T232-G247 PolarHBondContact N-O 2.89Å; T232-G247 PolarHBondContact OG1-O 3.28Å; T232-S248 PolarHBondContact OG1-N 3.18Å; T232-V290 WeakPolarHBondContact CB-O 3.42Å; T232-V290 PolarHBondContact OG1-O 2.89Å
233V98.6Very high96.5Very high5 Ų548.4 Ų48.43%0.0326%0.257CS..EExtended strand (participates in β ladder)trans-156147179.960.60000111.1S184 Y246 G247 V290 V293S184-V233 WeakPolarHBondContact OG-CA 3.34Å; V233-Y246 CarbonylContact O-C 3.59Å; V233-Y246 WeakPolarHBondContact O-CA 3.29Å; V233-Y246 WeakPolarHBondContact O-CB 2.81Å; V233-G247 PolarHBondContact O-N 2.61Å; V233-V290 HydrophobicContact CG1-CG1 4.13Å; V233-V293 HydrophobicContact CG1-CB 3.89Å; V233-V293 HydrophobicContact CG1-CG2 3.47Å; V233-V293 VanDerWaalsContact CG1-CG2 3.47Å; V233-V293 HydrophobicContact CG2-CB 4.44Å
234A98.6Very high96.6Very high5 Ų545.2 Ų45.24%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-141.8143.6171.800000112.2S184 L195 A197 I202 V245S184-A234 PolarHBondContact OG-N 2.67Å; L195-A234 HydrophobicContact CD1-CB 3.91Å; A197-A234 HydrophobicContact CB-CB 3.73Å; I202-A234 HydrophobicContact CD1-CB 3.98Å; A234-V245 CarbonylContact C-O 3.6Å; A234-V245 VanDerWaalsContact CA-O 3.24Å; A234-V245 WeakPolarHBondContact CA-O 3.38Å
235A98.6Very high96.9Very high14 Ų1441.3 Ų41.312%0.11622%0.221CC..EExtended strand (participates in β ladder)trans-148.3137.6-179.300000112.2F244 V245 F295A235-F244 CarbonylContact O-C 3.58Å; A235-F244 VanDerWaalsContact O-CA 3.29Å; A235-F244 WeakPolarHBondContact O-CA 3.46Å; A235-F244 WeakPolarHBondContact O-CB 3.15Å; A235-V245 HydrophobicContact CB-CG2 4.24Å; A235-V245 PolarHBondContact N-O 2.84Å; A235-V245 PolarHBondContact O-N 2.71Å; A235-F295 HydrophobicContact CB-CD2 4.5Å
236F98.6Very high97.1Very high10 Ų1034.2 Ų34.24%0.04419%0.187CC..EExtended strand (participates in β ladder)trans-72.6151.1167.9-87.2-59.7000112S186 N188 L195 L204 L243 F244 M258 F295S186-F236 WeakPolarHBondContact O-CD2 3.29Å; S186-F236 PolarHBondContact OG-N 3.43Å; N188-F236 HydrophobicContact CB-CD2 3.78Å; N188-F236 HydrophobicContact CB-CE2 3.7Å; N188-F236 HydrophobicContact CB-CG 4.23Å; N188-F236 HydrophobicContact CB-CZ 4.14Å; L195-F236 HydrophobicContact CB-CD2 4.3Å; L195-F236 HydrophobicContact CB-CE2 3.6Å; L195-F236 HydrophobicContact CB-CZ 3.99Å; L195-F236 HydrophobicContact CD2-CD1 4.11Å; L195-F236 HydrophobicContact CD2-CD2 3.63Å; L195-F236 HydrophobicContact CD2-CE1 3.98Å; L195-F236 HydrophobicContact CD2-CE2 3.54Å; L195-F236 HydrophobicContact CD2-CG 3.92Å; L195-F236 HydrophobicContact CD2-CZ 3.7Å; L195-F236 HydrophobicContact CG-CD2 3.71Å; L195-F236 HydrophobicContact CG-CE2 3.52Å; L195-F236 HydrophobicContact CG-CG 4.47Å; L195-F236 HydrophobicContact CG-CZ 4.11Å; L204-F236 HydrophobicContact CD1-CE2 4.27Å; L204-F236 HydrophobicContact CD1-CZ 3.74Å; F236-L243 WeakPolarHBondContact CD1-O 3.11Å; F236-F244 HydrophobicContact CD1-CB 3.63Å; F236-F244 HydrophobicContact CE1-CB 3.94Å; F236-F244 HydrophobicContact CE1-CD1 4.29Å; F236-F244 HydrophobicContact CE1-CG 4.43Å; F236-F244 HydrophobicContact CG-CB 4.35Å; F236-M258 HydrophobicContact CE1-CE 3.69Å; F236-M258 HydrophobicContact CE1-SD 4.32Å; F236-M258 HydrophobicContact CZ-CE 4.22Å; F236-F295 VanDerWaalsContact O-CD2 3.26Å; F236-F295 WeakPolarHBondContact O-CD2 3.44Å; F236-F295 WeakPolarHBondContact O-CE2 2.91Å
237H98.4Very high97.4Very high5 Ų528.9 Ų28.92%0.02316%0.159CC..  trans-67.2138.5169.2-173.2-83.6000110.5F239 H240 L243 F295 G299H237-F239 AromaticContact CE1-CD2 3.97Å; H237-F239 PolarHBondContact ND1-N 2.85Å; H237-F239 VanDerWaalsContact ND1-N 3.13Å; H237-F239 PolarHBondContact O-N 2.79Å; H237-F239 VanDerWaalsContact O-N 3.15Å; H237-H240 HydrophobicContact CB-CB 4.18Å; H237-H240 AromaticContact CE1-CD2 3.15Å; H237-H240 PolarHBondContact CE1-CD2 3.48Å; H237-H240 AromaticContact CE1-CG 3.8Å; H237-H240 AromaticContact CE1-NE2 3.96Å; H237-H240 WeakPolarHBondContact ND1-CB 2.91Å; H237-H240 AromaticContact ND1-CD2 3.43Å; H237-H240 PolarHBondContact ND1-CD2 3.34Å; H237-H240 AromaticContact ND1-CG 3.63Å; H237-H240 PolarHBondContact ND1-N 3.05Å; H237-H240 AromaticContact NE2-CD2 3.64Å; H237-L243 HydrophobicContact CB-CB 3.74Å; H237-L243 VanDerWaalsContact CB-O 3.32Å; H237-L243 WeakPolarHBondContact CB-O 3.35Å; H237-L243 PolarHBondContact N-O 3.07Å; H237-F295 HydrophobicContact CB-CE1 4.35Å; H237-F295 HydrophobicContact CB-CE2 4.17Å; H237-F295 HydrophobicContact CB-CZ 3.99Å; H237-F295 AromaticContact CD2-CD1 3.74Å; H237-F295 AromaticContact CD2-CE1 3.5Å; H237-G299 PolarHBondContact NE2-O 2.73Å
238P96.9Very high97.5Very high39 Ų3925.7 Ų25.725%0.25314%0.142SC..SBendtrans-63.7-23.8-173.422.1-33.8000114.9S189 F295S189-P238 WeakPolarHBondContact CB-O 3.38Å; P238-F295 HydrophobicContact CG-CB 4.16Å
239F97.5Very high97.7Very high116 Ų11624.5 Ų24.551%0.50913%0.131SC..SBendtrans-125.9-17.2-176.2-53.2-69.1000115.9H237 H297H237-F239 AromaticContact CE1-CD2 3.97Å; H237-F239 PolarHBondContact ND1-N 2.85Å; H237-F239 VanDerWaalsContact ND1-N 3.13Å; H237-F239 PolarHBondContact O-N 2.79Å; H237-F239 VanDerWaalsContact O-N 3.15Å; F239-H297 WeakPolarHBondContact CE2-O 3.31Å; F239-H297 WeakPolarHBondContact CZ-O 3.46Å
240H97.7Very high97.8Very high96 Ų9627.9 Ų27.944%0.44414%0.142SC..  trans-113.1100.9-169.8-70.1-48.9000107.3H237 N242 L243H237-H240 HydrophobicContact CB-CB 4.18Å; H237-H240 AromaticContact CE1-CD2 3.15Å; H237-H240 PolarHBondContact CE1-CD2 3.48Å; H237-H240 AromaticContact CE1-CG 3.8Å; H237-H240 AromaticContact CE1-NE2 3.96Å; H237-H240 WeakPolarHBondContact ND1-CB 2.91Å; H237-H240 AromaticContact ND1-CD2 3.43Å; H237-H240 PolarHBondContact ND1-CD2 3.34Å; H237-H240 AromaticContact ND1-CG 3.63Å; H237-H240 PolarHBondContact ND1-N 3.05Å; H237-H240 AromaticContact NE2-CD2 3.64Å; H240-N242 PolarHBondContact O-N 2.88Å; H240-L243 HydrophobicContact CB-CB 4.1Å; H240-L243 HydrophobicContact CB-CD1 3.85Å; H240-L243 HydrophobicContact CB-CG 3.95Å; H240-L243 PolarHBondContact O-N 2.79Å
241C97.5Very high97.7Very high46 Ų4627 Ų2731%0.31114%0.14SC..THydrogen-bonded Turntrans-63.2-17-17161.40000114.7N188 S189 D190 M258N188-C241 PolarHBondContact ND2-O 3.05Å; N188-C241 WeakPolarHBondContact OD1-CA 3.38Å; N188-C241 WeakPolarHBondContact OD1-CB 3.47Å; N188-C241 PolarHBondContact OD1-O 2.87Å; S189-C241 VanDerWaalsContact OG-CA 3.25Å; S189-C241 WeakPolarHBondContact OG-CA 3.43Å; S189-C241 WeakPolarHBondContact OG-CB 3.45Å; S189-C241 PolarHBondContact OG-N 2.94Å; D190-C241 HydrophobicContact CB-CB 4.14Å; C241-M258 WeakPolarHBondContact O-CE 3.39Å
242N97.5Very high97.6Very high13 Ų1327.6 Ų27.67%0.0714%0.144CC..THydrogen-bonded Turntrans-91.1-13.1178.358.9-67.1000114.1H240 D257 M258 R259H240-N242 PolarHBondContact O-N 2.88Å; N242-D257 PolarHBondContact ND2-OD1 2.74Å; N242-D257 PolarHBondContact ND2-OD2 3.04Å; N242-M258 PolarHBondContact O-N 2.86Å; N242-R259 HydrophobicContact CB-CG 3.67Å
243L97.8Very high97.6Very high25 Ų2527.2 Ų27.213%0.13114%0.141CC..EExtended strand (participates in β ladder)trans-104.7133.9-174-63.3-177.7000111.7F236 H237 H240 L255 C256 D257F236-L243 WeakPolarHBondContact CD1-O 3.11Å; H237-L243 HydrophobicContact CB-CB 3.74Å; H237-L243 VanDerWaalsContact CB-O 3.32Å; H237-L243 WeakPolarHBondContact CB-O 3.35Å; H237-L243 PolarHBondContact N-O 3.07Å; H240-L243 HydrophobicContact CB-CB 4.1Å; H240-L243 HydrophobicContact CB-CD1 3.85Å; H240-L243 HydrophobicContact CB-CG 3.95Å; H240-L243 PolarHBondContact O-N 2.79Å; L243-L255 HydrophobicContact CB-CD1 4.44Å; L243-C256 WeakPolarHBondContact CA-O 3.35Å; L243-D257 HydrophobicContact CD2-CB 3.7Å; L243-D257 WeakPolarHBondContact CD2-OD2 3.4Å
244F98.4Very high97.5Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-144.4159.3167.970.5-85.1000110.5L195 I202 I216 V217 A235 F236 Y246 C256 M258 C264L195-F244 HydrophobicContact CD2-CB 3.96Å; L195-F244 HydrophobicContact CD2-CD2 4.22Å; L195-F244 HydrophobicContact CD2-CG 4.14Å; I202-F244 HydrophobicContact CD1-CD2 4.44Å; I202-F244 HydrophobicContact CD1-CE2 3.84Å; I216-F244 HydrophobicContact CD1-CD1 4.32Å; I216-F244 HydrophobicContact CD1-CE1 3.72Å; I216-F244 HydrophobicContact CD1-CE2 4.4Å; I216-F244 HydrophobicContact CD1-CZ 3.76Å; I216-F244 HydrophobicContact CG1-CZ 4.36Å; V217-F244 HydrophobicContact CG2-CE2 4.01Å; V217-F244 HydrophobicContact CG2-CZ 3.77Å; A235-F244 CarbonylContact O-C 3.58Å; A235-F244 VanDerWaalsContact O-CA 3.29Å; A235-F244 WeakPolarHBondContact O-CA 3.46Å; A235-F244 WeakPolarHBondContact O-CB 3.15Å; F236-F244 HydrophobicContact CD1-CB 3.63Å; F236-F244 HydrophobicContact CE1-CB 3.94Å; F236-F244 HydrophobicContact CE1-CD1 4.29Å; F236-F244 HydrophobicContact CE1-CG 4.43Å; F236-F244 HydrophobicContact CG-CB 4.35Å; F244-Y246 HydrophobicContact CE2-CD1 4.02Å; F244-C256 HydrophobicContact CD1-CB 3.97Å; F244-C256 HydrophobicContact CD2-CB 4.34Å; F244-C256 HydrophobicContact CE1-CB 3.43Å; F244-C256 VanDerWaalsContact CE1-CB 3.43Å; F244-C256 HydrophobicContact CE2-CB 3.85Å; F244-C256 HydrophobicContact CG-CB 4.4Å; F244-C256 HydrophobicContact CZ-CB 3.36Å; F244-C256 PolarHBondContact N-O 2.91Å; F244-C256 PolarHBondContact O-N 3.42Å; F244-M258 HydrophobicContact CD1-CG 4.08Å; F244-M258 HydrophobicContact CD1-SD 4.37Å; F244-M258 HydrophobicContact CE1-CG 3.83Å; F244-M258 HydrophobicContact CE1-SD 4.34Å; F244-C264 HydrophobicContact CE1-CB 4.3Å; F244-C264 HydrophobicContact CZ-CB 3.99Å
245V98.3Very high97.5Very high0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-116.3153.4172.5-68.40000110.9A234 A235 I253 R254 L255 V293 F295 L302A234-V245 CarbonylContact C-O 3.6Å; A234-V245 VanDerWaalsContact CA-O 3.24Å; A234-V245 WeakPolarHBondContact CA-O 3.38Å; A235-V245 HydrophobicContact CB-CG2 4.24Å; A235-V245 PolarHBondContact N-O 2.84Å; A235-V245 PolarHBondContact O-N 2.71Å; V245-I253 HydrophobicContact CB-CG2 4.12Å; V245-I253 HydrophobicContact CG1-CG2 4.35Å; V245-R254 CarbonylContact C-O 3.46Å; V245-R254 WeakPolarHBondContact CA-O 3.25Å; V245-L255 HydrophobicContact CG1-CB 3.99Å; V245-L255 HydrophobicContact CG1-CD1 3.49Å; V245-L255 VanDerWaalsContact CG1-CD1 3.49Å; V245-L255 HydrophobicContact CG1-CG 4.37Å; V245-V293 HydrophobicContact CG2-CG1 3.63Å; V245-F295 HydrophobicContact CB-CE2 4.44Å; V245-F295 HydrophobicContact CB-CZ 4.28Å; V245-F295 HydrophobicContact CG1-CE1 4.27Å; V245-F295 HydrophobicContact CG1-CE2 4.23Å; V245-F295 HydrophobicContact CG1-CZ 3.6Å; V245-F295 HydrophobicContact CG2-CD2 4.38Å; V245-F295 HydrophobicContact CG2-CE2 3.6Å; V245-F295 HydrophobicContact CG2-CZ 3.86Å; V245-L302 HydrophobicContact CG1-CD1 4.05Å; V245-L302 HydrophobicContact CG1-CD2 4.15Å; V245-L302 HydrophobicContact CG2-CD2 4.13Å
246Y98.5Very high97.5Very high20 Ų2028.6 Ų28.68%0.07814%0.143CC..EExtended strand (participates in β ladder)trans-135.7141.3159.567.7-85.4000111.6I202 V217 I231 V233 F244 R254I202-Y246 HydrophobicContact CD1-CD1 3.87Å; I202-Y246 HydrophobicContact CD1-CG 3.86Å; V217-Y246 HydrophobicContact CG1-CE1 4.35Å; V217-Y246 HydrophobicContact CG2-CE1 4.24Å; I231-Y246 HydrophobicContact CD1-CD2 4.35Å; I231-Y246 HydrophobicContact CD1-CE2 4.49Å; I231-Y246 HydrophobicContact CG1-CD2 4.02Å; I231-Y246 HydrophobicContact CG1-CE2 4.25Å; I231-Y246 HydrophobicContact CG2-CD2 4.24Å; V233-Y246 CarbonylContact O-C 3.59Å; V233-Y246 WeakPolarHBondContact O-CA 3.29Å; V233-Y246 WeakPolarHBondContact O-CB 2.81Å; F244-Y246 HydrophobicContact CE2-CD1 4.02Å; Y246-R254 HydrophobicContact CD1-CB 4.1Å; Y246-R254 HydrophobicContact CE1-CB 3.69Å; Y246-R254 HydrophobicContact CE2-CB 4.21Å; Y246-R254 HydrophobicContact CE2-CG 4.43Å; Y246-R254 VanDerWaalsContact CZ-CD 3.45Å; Y246-R254 PolarHBondContact N-O 2.8Å; Y246-R254 PolarHBondContact O-N 2.76Å; Y246-R254 WeakPolarHBondContact OH-CD 3.25Å
247G98.1Very high97.4Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-96.1160.3172.600000111T232 V233 T252T232-G247 PolarHBondContact N-O 2.89Å; T232-G247 PolarHBondContact OG1-O 3.28Å; V233-G247 PolarHBondContact O-N 2.61Å; G247-T252 WeakPolarHBondContact CA-O 3.28Å
248S97.3Very high97.4Very high1 Ų131.3 Ų31.31%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-130.1168.3179.878.70000114.6E229 V230 T232 R250 G251 T252 V290E229-S248 WeakPolarHBondContact OE1-CB 3.22Å; E229-S248 PolarHBondContact OE1-OG 3.4Å; V230-S248 CarbonylContact O-C 3.58Å; V230-S248 WeakPolarHBondContact O-CA 2.89Å; V230-S248 WeakPolarHBondContact O-CB 3.48Å; T232-S248 PolarHBondContact OG1-N 3.18Å; S248-R250 PolarHBondContact O-N 3.23Å; S248-R250 VanDerWaalsContact O-N 3.15Å; S248-R250 PolarHBondContact OG-N 3.15Å; S248-G251 PolarHBondContact O-N 3.02Å; S248-T252 PolarHBondContact N-O 2.96Å; S248-T252 PolarHBondContact OG-OG1 2.97Å; S248-V290 PolarHBondContact O-N 3.44Å
249S96.4Very high97.3Very high26 Ų2638.3 Ų38.318%0.18218%0.178CC..THydrogen-bonded Turntrans-65.2-10174.360.30000114.5V230 S289V230-S249 WeakPolarHBondContact CG2-OG 3.42Å; V230-S249 PolarHBondContact N-OG 3.23Å; V230-S249 VanDerWaalsContact N-OG 3.07Å; V230-S249 PolarHBondContact O-N 3.22Å; S249-S289 WeakPolarHBondContact O-CA 3.38Å; S249-S289 WeakPolarHBondContact O-CB 3.43Å
250R94.7Very high97.2Very high116 Ų11638.2 Ų38.244%0.43818%0.183SC..THydrogen-bonded Turntrans-99.25.8178.1-74-166.5157.2177.5-4.1114.3A228 E229 S248 T252 E285A228-R250 PolarHBondContact O-NE 3.08Å; A228-R250 VanDerWaalsContact O-NE 3.15Å; E229-R250 HydrophobicContact CB-CG 4.39Å; E229-R250 HydrophobicContact CG-CB 4.47Å; E229-R250 HydrophobicContact CG-CG 4.23Å; S248-R250 PolarHBondContact O-N 3.23Å; S248-R250 VanDerWaalsContact O-N 3.15Å; S248-R250 PolarHBondContact OG-N 3.15Å; R250-T252 VanDerWaalsContact C-N 3.34Å; R250-E285 HydrophobicContact CG-CG 4.46Å; R250-E285 IonicContact CZ-OE1 2.99Å; R250-E285 IonicContact NE-OE1 4Å; R250-E285 PolarHBondContact NE-OE1 2.79Å; R250-E285 IonicContact NH2-OE1 3.44Å; R250-E285 PolarHBondContact NH2-OE1 2.88Å
251G95.3Very high96.9Very high19 Ų1938 Ų3820%0.19618%0.178CC..SBendtrans80.612-178.900000115.1S248 A288S248-G251 PolarHBondContact O-N 3.02Å; G251-A288 WeakPolarHBondContact CA-O 3.42Å; G251-A288 PolarHBondContact N-O 2.99Å
252T96.2Very high96.5Very high14 Ų1439 Ų399%0.08619%0.19CC..  trans-94.2142.4176.670.70000110.9E229 G247 S248 R250 R254E229-T252 PolarHBondContact OE1-OG1 3Å; E229-T252 VanDerWaalsContact OE1-OG1 3.06Å; G247-T252 WeakPolarHBondContact CA-O 3.28Å; S248-T252 PolarHBondContact N-O 2.96Å; S248-T252 PolarHBondContact OG-OG1 2.97Å; R250-T252 VanDerWaalsContact C-N 3.34Å; T252-R254 PolarHBondContact OG1-NH1 2.92Å
253I98.2Very high96.2Very high1 Ų143.2 Ų43.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-115.8128.7169.7-49.2113.2000108.6V245 V270 F271 V290 V293 L302 T304 W313V245-I253 HydrophobicContact CB-CG2 4.12Å; V245-I253 HydrophobicContact CG1-CG2 4.35Å; I253-V270 CarbonylContact O-C 3.54Å; I253-V270 WeakPolarHBondContact O-CA 3.46Å; I253-F271 HydrophobicContact CB-CB 4.13Å; I253-F271 HydrophobicContact CB-CD2 4.42Å; I253-F271 HydrophobicContact CD1-CB 4.1Å; I253-F271 PolarHBondContact N-O 3.34Å; I253-F271 PolarHBondContact O-N 3.14Å; I253-V290 HydrophobicContact CG1-CG2 4.4Å; I253-V293 HydrophobicContact CG1-CG2 4.41Å; I253-L302 HydrophobicContact CG2-CD1 4.28Å; I253-T304 HydrophobicContact CD1-CG2 3.65Å; I253-T304 HydrophobicContact CG1-CG2 3.94Å; I253-W313 HydrophobicContact CD1-CZ2 4.08Å
254R97.8Very high95.9Very high44 Ų4442.1 Ų42.117%0.16621%0.206CC..EExtended strand (participates in β ladder)trans-114.6121.4-178.6-68.9-178.3-175.692.9-8.9109.5E229 V245 Y246 T252 P267 V270E229-R254 VanDerWaalsContact CD-NH2 3.3Å; E229-R254 IonicContact OE1-CZ 3.68Å; E229-R254 VanDerWaalsContact OE1-CZ 3.3Å; E229-R254 IonicContact OE1-NH1 3.69Å; E229-R254 PolarHBondContact OE1-NH1 2.93Å; E229-R254 IonicContact OE1-NH2 2.8Å; E229-R254 PolarHBondContact OE1-NH2 2.95Å; E229-R254 IonicContact OE2-CZ 3.79Å; E229-R254 IonicContact OE2-NH1 3.01Å; E229-R254 IonicContact OE2-NH2 3.3Å; E229-R254 PolarHBondContact OE2-NH2 2.81Å; V245-R254 CarbonylContact C-O 3.46Å; V245-R254 WeakPolarHBondContact CA-O 3.25Å; Y246-R254 HydrophobicContact CD1-CB 4.1Å; Y246-R254 HydrophobicContact CE1-CB 3.69Å; Y246-R254 HydrophobicContact CE2-CB 4.21Å; Y246-R254 HydrophobicContact CE2-CG 4.43Å; Y246-R254 VanDerWaalsContact CZ-CD 3.45Å; Y246-R254 PolarHBondContact N-O 2.8Å; Y246-R254 PolarHBondContact O-N 2.76Å; Y246-R254 WeakPolarHBondContact OH-CD 3.25Å; T252-R254 PolarHBondContact OG1-NH1 2.92Å; R254-P267 HydrophobicContact CB-CB 3.9Å; R254-P267 HydrophobicContact CB-CG 4.42Å; R254-P267 HydrophobicContact CG-CB 4.25Å; R254-P267 HydrophobicContact CG-CG 4.23Å; R254-V270 HydrophobicContact CG-CG1 4.36Å; R254-V270 HydrophobicContact CG-CG2 4.29Å
255L97.9Very high95.5Very high10 Ų1047.1 Ų47.15%0.05223%0.233CC..EExtended strand (participates in β ladder)trans-94.3122.3171.8177.574.7000108.5L243 V245 P267 A268 R269 F271 F295 L315L243-L255 HydrophobicContact CB-CD1 4.44Å; V245-L255 HydrophobicContact CG1-CB 3.99Å; V245-L255 HydrophobicContact CG1-CD1 3.49Å; V245-L255 VanDerWaalsContact CG1-CD1 3.49Å; V245-L255 HydrophobicContact CG1-CG 4.37Å; L255-P267 CarbonylContact O-C 3.6Å; L255-A268 WeakPolarHBondContact O-CA 3.28Å; L255-A268 WeakPolarHBondContact O-CB 3.23Å; L255-A268 PolarHBondContact O-N 3.29Å; L255-R269 HydrophobicContact CB-CB 4.26Å; L255-R269 HydrophobicContact CD2-CB 4.39Å; L255-R269 HydrophobicContact CD2-CG 4.47Å; L255-R269 PolarHBondContact N-O 3.44Å; L255-R269 PolarHBondContact O-N 2.69Å; L255-R269 VanDerWaalsContact O-N 3.13Å; L255-F271 HydrophobicContact CB-CE2 3.85Å; L255-F295 HydrophobicContact CD1-CZ 4.23Å; L255-L315 HydrophobicContact CD2-CD2 4.37Å
256C98Very high95.3Very high0 Ų052.7 Ų52.70%026%0.259CS..EExtended strand (participates in β ladder)trans-109.5144.9-179.4-66.60000110.6L243 F244 C264L243-C256 WeakPolarHBondContact CA-O 3.35Å; F244-C256 HydrophobicContact CD1-CB 3.97Å; F244-C256 HydrophobicContact CD2-CB 4.34Å; F244-C256 HydrophobicContact CE1-CB 3.43Å; F244-C256 VanDerWaalsContact CE1-CB 3.43Å; F244-C256 HydrophobicContact CE2-CB 3.85Å; F244-C256 HydrophobicContact CG-CB 4.4Å; F244-C256 HydrophobicContact CZ-CB 3.36Å; F244-C256 PolarHBondContact N-O 2.91Å; F244-C256 PolarHBondContact O-N 3.42Å; C256-C264 HydrophobicContact CB-CB 3.91Å
257D97.3Very high95Very high29 Ų2953.6 Ų53.616%0.15527%0.267CS..EExtended strand (participates in β ladder)trans-117.9112172.1-166.1-27.7000110.2N242 L243 R259 D260 R261 A268N242-D257 PolarHBondContact ND2-OD1 2.74Å; N242-D257 PolarHBondContact ND2-OD2 3.04Å; L243-D257 HydrophobicContact CD2-CB 3.7Å; L243-D257 WeakPolarHBondContact CD2-OD2 3.4Å; D257-R259 PolarHBondContact O-N 2.99Å; D257-R259 VanDerWaalsContact OD1-CB 3.31Å; D257-R259 WeakPolarHBondContact OD1-CB 3.3Å; D257-R259 PolarHBondContact OD1-N 2.85Å; D257-D260 HydrophobicContact CB-CB 4.21Å; D257-D260 PolarHBondContact O-N 3.05Å; D257-D260 VanDerWaalsContact O-N 3.14Å; D257-R261 PolarHBondContact O-N 3.13Å; D257-A268 HydrophobicContact CB-CB 4.21Å
258M97.1Very high94.8Very high43 Ų4356 Ų5621%0.21229%0.286CS..THydrogen-bonded Turntrans-67.6-14.2179.9-63.5-169.9-64.700113.4L204 I216 F236 C241 N242 F244L204-M258 HydrophobicContact CD2-SD 4.4Å; I216-M258 HydrophobicContact CD1-SD 4.23Å; F236-M258 HydrophobicContact CE1-CE 3.69Å; F236-M258 HydrophobicContact CE1-SD 4.32Å; F236-M258 HydrophobicContact CZ-CE 4.22Å; C241-M258 WeakPolarHBondContact O-CE 3.39Å; N242-M258 PolarHBondContact O-N 2.86Å; F244-M258 HydrophobicContact CD1-CG 4.08Å; F244-M258 HydrophobicContact CD1-SD 4.37Å; F244-M258 HydrophobicContact CE1-CG 3.83Å; F244-M258 HydrophobicContact CE1-SD 4.34Å
259R96.4Very high94.8Very high186 Ų18660.7 Ų60.770%0.70230%0.304SS*.THydrogen-bonded Turntrans-80.2-32.6172.8-68.1172.2-178.8177.52.4112N242 D257N242-R259 HydrophobicContact CB-CG 3.67Å; D257-R259 PolarHBondContact O-N 2.99Å; D257-R259 VanDerWaalsContact OD1-CB 3.31Å; D257-R259 WeakPolarHBondContact OD1-CB 3.3Å; D257-R259 PolarHBondContact OD1-N 2.85Å
260D93.7Very high94.8Very high114 Ų11461.8 Ų61.861%0.6131%0.31SS*.THydrogen-bonded Turntrans-72.2-44179.6-71.4-11.6000110.1D257D257-D260 HydrophobicContact CB-CB 4.21Å; D257-D260 PolarHBondContact O-N 3.05Å; D257-D260 VanDerWaalsContact O-N 3.14Å
261R92.8Very high95Very high92 Ų9256.2 Ų56.235%0.34729%0.289SS..  trans-146.9133.1-179-60.2-166.2175.4-153-3.6112.6D257 L263 C264 D265 Q266D257-R261 PolarHBondContact O-N 3.13Å; R261-L263 VanDerWaalsContact C-N 3.3Å; R261-L263 PolarHBondContact O-N 3.37Å; R261-C264 PolarHBondContact O-N 3.36Å; R261-C264 PolarHBondContact O-SG 2.85Å; R261-C264 VanDerWaalsContact O-SG 3.42Å; R261-D265 WeakPolarHBondContact CD-OD1 3.4Å; R261-D265 IonicContact CZ-OD1 2.99Å; R261-D265 IonicContact NE-OD1 3.82Å; R261-D265 VanDerWaalsContact NH1-CG 3.34Å; R261-D265 IonicContact NH1-OD1 3.82Å; R261-D265 PolarHBondContact NH1-OD1 3.45Å; R261-D265 IonicContact NH1-OD2 3.92Å; R261-D265 PolarHBondContact NH1-OD2 2.88Å; R261-Q266 VanDerWaalsContact CZ-CD 3.4Å; R261-Q266 VanDerWaalsContact CZ-OE1 3.25Å
262A88.6Confident94.9Very high66 Ų6660.2 Ų60.255%0.54530%0.302SS..THydrogen-bonded Turntrans-62.3-36175.800000113F214F214-A262 WeakPolarHBondContact CE1-O 3.27Å; F214-A262 HydrophobicContact CZ-CB 4.46Å
263L92Very high94.6Very high101 Ų10163.1 Ų63.153%0.52932%0.315SS..THydrogen-bonded Turntrans-95.61.8-176.7-61.6179.1000114.2F214 I216 R261 D265F214-L263 HydrophobicContact CE2-CD2 4.38Å; F214-L263 HydrophobicContact CZ-CD2 3.9Å; I216-L263 CarbonylContact O-C 3.59Å; R261-L263 VanDerWaalsContact C-N 3.3Å; R261-L263 PolarHBondContact O-N 3.37Å; L263-D265 PolarHBondContact O-N 3.17Å
264C91.9Very high93.9Very high2 Ų268.9 Ų68.91%0.01435%0.35CS..  trans39.831.6-179.3-54.20000115.2I216 V217 F244 C256 R261 Q266I216-C264 VanDerWaalsContact O-CB 3.3Å; I216-C264 WeakPolarHBondContact O-CB 3.47Å; V217-C264 HydrophobicContact CG2-CB 4.1Å; F244-C264 HydrophobicContact CE1-CB 4.3Å; F244-C264 HydrophobicContact CZ-CB 3.99Å; C256-C264 HydrophobicContact CB-CB 3.91Å; R261-C264 PolarHBondContact O-N 3.36Å; R261-C264 PolarHBondContact O-SG 2.85Å; R261-C264 VanDerWaalsContact O-SG 3.42Å; C264-Q266 VanDerWaalsContact C-N 3.26Å; C264-Q266 PolarHBondContact O-N 2.86Å
265D89.4Confident93Very high105 Ų10570.7 Ų70.756%0.56136%0.361SS*.  trans-72-23.4-174.262-36.4000112.1R261 L263R261-D265 WeakPolarHBondContact CD-OD1 3.4Å; R261-D265 IonicContact CZ-OD1 2.99Å; R261-D265 IonicContact NE-OD1 3.82Å; R261-D265 VanDerWaalsContact NH1-CG 3.34Å; R261-D265 IonicContact NH1-OD1 3.82Å; R261-D265 PolarHBondContact NH1-OD1 3.45Å; R261-D265 IonicContact NH1-OD2 3.92Å; R261-D265 PolarHBondContact NH1-OD2 2.88Å; L263-D265 PolarHBondContact O-N 3.17Å
266Q92.8Very high92.1Very high118 Ų11873.9 Ų73.955%0.55138%0.377SS*.SBendtrans-114.4119.4165.8-69-175.30.600109R261 C264R261-Q266 VanDerWaalsContact CZ-CD 3.4Å; R261-Q266 VanDerWaalsContact CZ-OE1 3.25Å; C264-Q266 VanDerWaalsContact C-N 3.26Å; C264-Q266 PolarHBondContact O-N 2.86Å
267P93.5Very high91.3Very high39 Ų3978.6 Ų78.625%0.25341%0.408SS..  trans-68.8144.5175.530.5-35.1000110.1R254 L255 R269 V270R254-P267 HydrophobicContact CB-CB 3.9Å; R254-P267 HydrophobicContact CB-CG 4.42Å; R254-P267 HydrophobicContact CG-CB 4.25Å; R254-P267 HydrophobicContact CG-CG 4.23Å; L255-P267 CarbonylContact O-C 3.6Å; P267-R269 VanDerWaalsContact C-N 3.29Å; P267-R269 PolarHBondContact O-N 3.28Å; P267-V270 HydrophobicContact CB-CG2 4.25Å; P267-V270 HydrophobicContact CG-CG2 3.48Å; P267-V270 VanDerWaalsContact CG-CG2 3.48Å
268A94.5Very high90.5Very high49 Ų4983.9 Ų83.941%0.40544%0.437SS..SBendtrans-64.6-36.5174.500000111.3L255 D257L255-A268 WeakPolarHBondContact O-CA 3.28Å; L255-A268 WeakPolarHBondContact O-CB 3.23Å; L255-A268 PolarHBondContact O-N 3.29Å; D257-A268 HydrophobicContact CB-CB 4.21Å
269R96.1Very high89.7Confident100 Ų10087.2 Ų87.238%0.37746%0.455SS..EExtended strand (participates in β ladder)trans-144.4148.4173.7-61.8-175-178.91691.5111.4L255 P267 F271 L315L255-R269 HydrophobicContact CB-CB 4.26Å; L255-R269 HydrophobicContact CD2-CB 4.39Å; L255-R269 HydrophobicContact CD2-CG 4.47Å; L255-R269 PolarHBondContact N-O 3.44Å; L255-R269 PolarHBondContact O-N 2.69Å; L255-R269 VanDerWaalsContact O-N 3.13Å; P267-R269 VanDerWaalsContact C-N 3.29Å; P267-R269 PolarHBondContact O-N 3.28Å; R269-F271 HydrophobicContact CB-CE2 3.9Å; R269-F271 HydrophobicContact CB-CZ 4.24Å; R269-L315 WeakPolarHBondContact CD-O 3.26Å; R269-L315 PolarHBondContact NH1-O 2.78Å
270V97.3Very high88.9Confident49 Ų4984.3 Ų84.330%0.29745%0.45SS..EExtended strand (participates in β ladder)trans-121.4122.8173-174.30000107.9I253 R254 P267 Q318I253-V270 CarbonylContact O-C 3.54Å; I253-V270 WeakPolarHBondContact O-CA 3.46Å; R254-V270 HydrophobicContact CG-CG1 4.36Å; R254-V270 HydrophobicContact CG-CG2 4.29Å; P267-V270 HydrophobicContact CB-CG2 4.25Å; P267-V270 HydrophobicContact CG-CG2 3.48Å; P267-V270 VanDerWaalsContact CG-CG2 3.48Å; V270-Q318 WeakPolarHBondContact O-CB 3.35Å
271F97.8Very high88.6Confident0 Ų081.8 Ų81.80%044%0.441CS..EExtended strand (participates in β ladder)trans-99.2118.1176-55-102.9000108.3I253 L255 R269 L302 W313 D314 L315 Q318I253-F271 HydrophobicContact CB-CB 4.13Å; I253-F271 HydrophobicContact CB-CD2 4.42Å; I253-F271 HydrophobicContact CD1-CB 4.1Å; I253-F271 PolarHBondContact N-O 3.34Å; I253-F271 PolarHBondContact O-N 3.14Å; L255-F271 HydrophobicContact CB-CE2 3.85Å; R269-F271 HydrophobicContact CB-CE2 3.9Å; R269-F271 HydrophobicContact CB-CZ 4.24Å; F271-L302 HydrophobicContact CD2-CD1 4.44Å; F271-L302 HydrophobicContact CE2-CD1 4.25Å; F271-L302 HydrophobicContact CZ-CD1 4.38Å; F271-W313 HydrophobicContact CB-CD2 4.3Å; F271-W313 HydrophobicContact CB-CE3 3.88Å; F271-W313 HydrophobicContact CB-CZ3 3.98Å; F271-W313 HydrophobicContact CD1-CB 4.23Å; F271-W313 HydrophobicContact CD1-CD2 4.45Å; F271-W313 AromaticContact CD1-CE3 3.96Å; F271-W313 HydrophobicContact CD1-CE3 3.96Å; F271-W313 HydrophobicContact CG-CE3 4.41Å; F271-D314 WeakPolarHBondContact CE1-O 3.37Å; F271-L315 HydrophobicContact CE2-CD2 4.48Å; F271-L315 HydrophobicContact CZ-CD2 3.88Å; F271-L315 WeakPolarHBondContact CZ-O 3.22Å; F271-Q318 VanDerWaalsContact CA-O 3.31Å; F271-Q318 WeakPolarHBondContact CA-O 3.49Å; F271-Q318 HydrophobicContact CD1-CB 4.02Å; F271-Q318 HydrophobicContact CE1-CB 4.15Å; F271-Q318 HydrophobicContact CG-CB 4.41Å
272E94.3Very high88.4Confident102 Ų10284 Ų8448%0.47745%0.453SS..  trans-149.6141.3-176.3176.5-179.9166.300107.9Q318 N319E272-Q318 PolarHBondContact N-O 2.72Å; E272-Q318 VanDerWaalsContact N-O 3.16Å; E272-N319 CarbonylContact O-C 3.56Å; E272-N319 VanDerWaalsContact O-C 3.28Å
273E89.9Confident88.6Confident76 Ų7682.7 Ų82.736%0.35544%0.435SS..  trans-104.7123.5171.3-177.8170-150.700108E275 K311 W313E273-E275 PolarHBondContact O-N 2.68Å; E273-E275 VanDerWaalsContact O-N 3.14Å; E273-K311 IonicContact OE2-NZ 3.2Å; E273-K311 PolarHBondContact OE2-NZ 2.85Å; E273-W313 HydrophobicContact CB-CH2 4.13Å
274T83.7Confident88.5Confident121 Ų12178.8 Ų78.874%0.74242%0.416SS*.  trans-70110.3175.848.10000109.4
275E78.3Confident88.4Confident83 Ų8383.5 Ų83.539%0.38844%0.437SS..  trans-75.4146172-71.6-156.6171.800112.1E273 P277 T284E273-E275 PolarHBondContact O-N 2.68Å; E273-E275 VanDerWaalsContact O-N 3.14Å; E275-P277 WeakPolarHBondContact O-CD 3.24Å; E275-T284 WeakPolarHBondContact OE2-CG2 3.23Å
276D79.4Confident88.6Confident76 Ų7680.1 Ų80.141%0.40642%0.419SS..  trans-65.4122.9170-172.1-23.6000109N278 N279D276-N278 PolarHBondContact O-N 3.17Å; D276-N278 WeakPolarHBondContact OD1-CB 3.31Å; D276-N278 PolarHBondContact OD1-N 2.91Å; D276-N278 PolarHBondContact OD1-ND2 3.41Å; D276-N279 HydrophobicContact CB-CB 4.48Å; D276-N279 PolarHBondContact O-N 3.17Å
277P81.2Confident88.7Confident99 Ų9975.2 Ų75.264%0.64340%0.396SS*.G310 helixtrans-52.3-27.6176.5-26.434000113.7E275 N279 Q280E275-P277 WeakPolarHBondContact O-CD 3.24Å; P277-N279 VanDerWaalsContact C-N 3.29Å; P277-N279 PolarHBondContact O-N 2.78Å; P277-Q280 PolarHBondContact O-N 3.5Å
278N80.7Confident88.8Confident141 Ų14174.3 Ų74.375%0.75439%0.392SS*.G310 helixtrans-72.8-21.5178.8-61-53.8000113.5D276D276-N278 PolarHBondContact O-N 3.17Å; D276-N278 WeakPolarHBondContact OD1-CB 3.31Å; D276-N278 PolarHBondContact OD1-N 2.91Å; D276-N278 PolarHBondContact OD1-ND2 3.41Å
279N78.7Confident88.9Confident113 Ų11373.6 Ų73.660%0.60439%0.385SS*.G310 helixtrans-93.6-4.3177.5-70-23.3000112.4D276 P277 S281D276-N279 HydrophobicContact CB-CB 4.48Å; D276-N279 PolarHBondContact O-N 3.17Å; P277-N279 VanDerWaalsContact C-N 3.29Å; P277-N279 PolarHBondContact O-N 2.78Å; N279-S281 PolarHBondContact O-N 2.97Å
280Q81.3Confident89Confident125 Ų12569.1 Ų69.158%0.58437%0.368SS*.  trans-68.6123.1177.5-71-170.4-5.800110.4P277 T284P277-Q280 PolarHBondContact O-N 3.5Å; Q280-T284 HydrophobicContact CG-CG2 4.49Å
281S86.8Confident89Confident60 Ų6067.3 Ų67.342%0.4236%0.358SS..  trans-120.4169.4170.471.70000109N279 F283 T284N279-S281 PolarHBondContact O-N 2.97Å; S281-F283 PolarHBondContact O-N 3.3Å; S281-F283 VanDerWaalsContact O-N 3.16Å; S281-F283 PolarHBondContact OG-N 3.17Å; S281-T284 PolarHBondContact N-OG1 3.29Å; S281-T284 VanDerWaalsContact O-CB 3.24Å; S281-T284 WeakPolarHBondContact O-CB 3.25Å; S281-T284 PolarHBondContact O-N 3.11Å; S281-T284 PolarHBondContact O-OG1 3.22Å; S281-T284 PolarHBondContact OG-N 3.15Å; S281-T284 PolarHBondContact OG-OG1 3.43Å
282F88.3Confident89Confident138 Ų13867.5 Ų67.561%0.60536%0.359SS*.Hα-helixtrans-51.7-36.4170170.3-102.2000112.5T284 I286 Y339F282-T284 VanDerWaalsContact C-N 3.3Å; F282-T284 PolarHBondContact O-N 3.2Å; F282-I286 HydrophobicContact CD1-CD1 4.44Å; F282-I286 HydrophobicContact CE1-CD1 3.79Å; F282-I286 HydrophobicContact CZ-CD1 4.06Å; F282-Y339 HydrophobicContact CE1-CE2 4.29Å
283F92Very high89.2Confident40 Ų4062.7 Ų62.718%0.17534%0.336CS..Hα-helixtrans-76.6-15.8-177.4-61.2-65.2000113.8S281 E285 I286 I287 L335 C336 Y339 M344S281-F283 PolarHBondContact O-N 3.3Å; S281-F283 VanDerWaalsContact O-N 3.16Å; S281-F283 PolarHBondContact OG-N 3.17Å; F283-E285 PolarHBondContact O-N 3.33Å; F283-I286 HydrophobicContact CD1-CD1 4.36Å; F283-I286 PolarHBondContact O-N 3.48Å; F283-I286 VanDerWaalsContact O-N 3.11Å; F283-I287 WeakPolarHBondContact O-CG1 3.36Å; F283-I287 PolarHBondContact O-N 2.86Å; F283-L335 HydrophobicContact CB-CD1 4.15Å; F283-L335 HydrophobicContact CD1-CB 4.45Å; F283-L335 HydrophobicContact CD2-CB 4.04Å; F283-L335 HydrophobicContact CD2-CD1 4.5Å; F283-L335 HydrophobicContact CE2-CB 4.36Å; F283-L335 HydrophobicContact CG-CB 4.09Å; F283-L335 HydrophobicContact CG-CD1 4.48Å; F283-C336 HydrophobicContact CZ-CB 4.14Å; F283-Y339 HydrophobicContact CE1-CD1 4.49Å; F283-Y339 HydrophobicContact CE1-CD2 4.35Å; F283-Y339 AromaticContact CE1-CG 3.97Å; F283-Y339 HydrophobicContact CE1-CG 3.97Å; F283-M344 HydrophobicContact CB-CE 4.18Å; F283-M344 HydrophobicContact CD1-CE 3.86Å; F283-M344 HydrophobicContact CD1-SD 3.89Å; F283-M344 HydrophobicContact CG-CE 4.22Å
284T91.5Very high89.6Confident19 Ų1960.5 Ų60.512%0.11733%0.325CS..Hα-helixtrans-55.2-50-174.2-70.50000112E275 Q280 S281 F282 I286 I287 A288E275-T284 WeakPolarHBondContact OE2-CG2 3.23Å; Q280-T284 HydrophobicContact CG-CG2 4.49Å; S281-T284 PolarHBondContact N-OG1 3.29Å; S281-T284 VanDerWaalsContact O-CB 3.24Å; S281-T284 WeakPolarHBondContact O-CB 3.25Å; S281-T284 PolarHBondContact O-N 3.11Å; S281-T284 PolarHBondContact O-OG1 3.22Å; S281-T284 PolarHBondContact OG-N 3.15Å; S281-T284 PolarHBondContact OG-OG1 3.43Å; F282-T284 VanDerWaalsContact C-N 3.3Å; F282-T284 PolarHBondContact O-N 3.2Å; T284-I286 VanDerWaalsContact C-N 3.29Å; T284-I286 PolarHBondContact O-N 2.81Å; T284-I287 WeakPolarHBondContact O-CG1 3.42Å; T284-I287 PolarHBondContact O-N 3.19Å; T284-A288 WeakPolarHBondContact O-CB 3.43Å; T284-A288 PolarHBondContact O-N 3.49Å
285E89.5Confident90.3Very high100 Ų10055.8 Ų55.847%0.46730%0.295SS..Hα-helixtrans-65-36-179.5-170.3171.7-168.400111.5R250 F283R250-E285 HydrophobicContact CG-CG 4.46Å; R250-E285 IonicContact CZ-OE1 2.99Å; R250-E285 IonicContact NE-OE1 4Å; R250-E285 PolarHBondContact NE-OE1 2.79Å; R250-E285 IonicContact NH2-OE1 3.44Å; R250-E285 PolarHBondContact NH2-OE1 2.88Å; F283-E285 PolarHBondContact O-N 3.33Å
286I93.3Very high91.3Very high35 Ų3551.9 Ų51.918%0.17928%0.277CS..Hα-helixtrans-68.1-48.2-178.9-53174.9000110.6F282 F283 T284 A288 S289 Y339 M344 F345F282-I286 HydrophobicContact CD1-CD1 4.44Å; F282-I286 HydrophobicContact CE1-CD1 3.79Å; F282-I286 HydrophobicContact CZ-CD1 4.06Å; F283-I286 HydrophobicContact CD1-CD1 4.36Å; F283-I286 PolarHBondContact O-N 3.48Å; F283-I286 VanDerWaalsContact O-N 3.11Å; T284-I286 VanDerWaalsContact C-N 3.29Å; T284-I286 PolarHBondContact O-N 2.81Å; I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 2.88Å; I286-S289 VanDerWaalsContact O-CB 3.3Å; I286-S289 WeakPolarHBondContact O-CB 3.29Å; I286-S289 PolarHBondContact O-N 3.42Å; I286-Y339 HydrophobicContact CD1-CD2 3.9Å; I286-Y339 HydrophobicContact CD1-CE2 3.71Å; I286-M344 HydrophobicContact CB-SD 3.96Å; I286-M344 HydrophobicContact CD1-SD 4.35Å; I286-M344 HydrophobicContact CG2-CG 3.71Å; I286-M344 HydrophobicContact CG2-SD 3.51Å; I286-M344 VanDerWaalsContact CG2-SD 3.51Å; I286-F345 HydrophobicContact CG2-CD1 4.26Å; I286-F345 HydrophobicContact CG2-CE1 3.77Å
287I95.1Very high92Very high14 Ų1452.2 Ų52.27%0.07228%0.276CS..Hα-helixtrans-74.9-22.2-178.765.7178.5000113F283 T284 S289 D306 Y307 L308 L335 M344F283-I287 WeakPolarHBondContact O-CG1 3.36Å; F283-I287 PolarHBondContact O-N 2.86Å; T284-I287 WeakPolarHBondContact O-CG1 3.42Å; T284-I287 PolarHBondContact O-N 3.19Å; I287-S289 VanDerWaalsContact C-N 3.26Å; I287-S289 PolarHBondContact O-N 3.08Å; I287-D306 WeakPolarHBondContact O-CB 3.29Å; I287-Y307 HydrophobicContact CG2-CD1 3.99Å; I287-Y307 HydrophobicContact CG2-CG 4.34Å; I287-Y307 PolarHBondContact O-N 2.85Å; I287-Y307 VanDerWaalsContact O-N 3.17Å; I287-L308 HydrophobicContact CD1-CD1 3.74Å; I287-L308 HydrophobicContact CD1-CG 4.38Å; I287-L335 HydrophobicContact CG2-CD2 4.23Å; I287-M344 HydrophobicContact CG2-CE 3.4Å; I287-M344 VanDerWaalsContact CG2-CE 3.4Å; I287-M344 HydrophobicContact CG2-CG 4.3Å; I287-M344 HydrophobicContact CG2-SD 4.07Å
288A94.8Very high92.6Very high21 Ų2150.6 Ų50.617%0.17427%0.266CS..Hα-helixtrans-72.8-18.7176.400000112.7G251 T284 I286 V290G251-A288 WeakPolarHBondContact CA-O 3.42Å; G251-A288 PolarHBondContact N-O 2.99Å; T284-A288 WeakPolarHBondContact O-CB 3.43Å; T284-A288 PolarHBondContact O-N 3.49Å; I286-A288 VanDerWaalsContact C-N 3.31Å; I286-A288 PolarHBondContact O-N 2.88Å; A288-V290 PolarHBondContact O-N 3.42Å
289S96.7Very high93.4Very high34 Ų3443.9 Ų43.924%0.23823%0.23CC..  trans-49123.2177.5-178.10000112.2S249 I286 I287 S291S249-S289 WeakPolarHBondContact O-CA 3.38Å; S249-S289 WeakPolarHBondContact O-CB 3.43Å; I286-S289 VanDerWaalsContact O-CB 3.3Å; I286-S289 WeakPolarHBondContact O-CB 3.29Å; I286-S289 PolarHBondContact O-N 3.42Å; I287-S289 VanDerWaalsContact C-N 3.26Å; I287-S289 PolarHBondContact O-N 3.08Å; S289-S291 PolarHBondContact O-N 2.9Å
290V98.2Very high94.2Very high5 Ų542.7 Ų42.73%0.0322%0.224CC..  trans-75.5113.3-179.3-172.90000108.8T232 V233 S248 I253 A288 V293 R305T232-V290 WeakPolarHBondContact CB-O 3.42Å; T232-V290 PolarHBondContact OG1-O 2.89Å; V233-V290 HydrophobicContact CG1-CG1 4.13Å; S248-V290 PolarHBondContact O-N 3.44Å; I253-V290 HydrophobicContact CG1-CG2 4.4Å; A288-V290 PolarHBondContact O-N 3.42Å; V290-V293 HydrophobicContact CG1-CG2 3.48Å; V290-V293 VanDerWaalsContact CG1-CG2 3.48Å; V290-R305 CarbonylContact C-O 3.51Å
291S97.9Very high95Very high11 Ų1137.8 Ų37.88%0.07720%0.201CC..  trans-84.1-30.9179.962.20000113.1S289 R305 F348S289-S291 PolarHBondContact O-N 2.9Å; S291-R305 PolarHBondContact N-O 2.79Å; S291-R305 WeakPolarHBondContact OG-CB 3.18Å; S291-R305 VanDerWaalsContact OG-CG 3.26Å; S291-R305 WeakPolarHBondContact OG-CG 3.19Å; S291-R305 PolarHBondContact OG-O 2.82Å; S291-R305 VanDerWaalsContact OG-O 3.12Å; S291-F348 WeakPolarHBondContact CB-O 3.31Å; S291-F348 PolarHBondContact OG-O 2.67Å
292D98.5Very high95.5Very high4 Ų435 Ų352%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-154.8152.2178.6-165.120.5000112K294 T304 R305 C350D292-K294 VanDerWaalsContact OD2-CE 3.23Å; D292-K294 WeakPolarHBondContact OD2-CE 3.33Å; D292-T304 WeakPolarHBondContact O-CA 3.17Å; D292-R305 HydrophobicContact CB-CB 4.45Å; D292-R305 PolarHBondContact O-N 2.88Å; D292-C350 PolarHBondContact OD2-N 2.93Å
293V98.4Very high96Very high1 Ų128.4 Ų28.41%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-139.8129.8177.3177.60000109.2V233 V245 I253 V290 L302 L303 T304V233-V293 HydrophobicContact CG1-CB 3.89Å; V233-V293 HydrophobicContact CG1-CG2 3.47Å; V233-V293 VanDerWaalsContact CG1-CG2 3.47Å; V233-V293 HydrophobicContact CG2-CB 4.44Å; V245-V293 HydrophobicContact CG2-CG1 3.63Å; I253-V293 HydrophobicContact CG1-CG2 4.41Å; V290-V293 HydrophobicContact CG1-CG2 3.48Å; V290-V293 VanDerWaalsContact CG1-CG2 3.48Å; V293-L302 HydrophobicContact CG1-CD2 4.03Å; V293-L303 CarbonylContact C-O 3.51Å; V293-L303 VanDerWaalsContact CA-O 3.3Å; V293-L303 WeakPolarHBondContact CA-O 3.34Å; V293-T304 HydrophobicContact CG1-CG2 4.31Å; V293-T304 HydrophobicContact CG2-CG2 3.93Å
294K98.2Very high96.3Very high30 Ų3026.7 Ų26.713%0.1315%0.146CC..EExtended strand (participates in β ladder)trans-135.3127.8176.6-58.7-69.1-177.9148.30111.3D292 L303 C350 Y351 W352D292-K294 VanDerWaalsContact OD2-CE 3.23Å; D292-K294 WeakPolarHBondContact OD2-CE 3.33Å; K294-L303 HydrophobicContact CB-CB 4.49Å; K294-L303 PolarHBondContact N-O 3.05Å; K294-L303 PolarHBondContact O-N 3.45Å; K294-C350 VanDerWaalsContact CG-O 3.25Å; K294-C350 WeakPolarHBondContact CG-O 3.46Å; K294-Y351 PolarHBondContact NZ-OH 2.83Å; K294-W352 PolarHBondContact O-NE1 3.07Å; K294-W352 VanDerWaalsContact O-NE1 3.08Å
295F98.4Very high96.7Very high22 Ų2225.8 Ų25.810%0.09614%0.14CC..EExtended strand (participates in β ladder)trans-63.1144.4163-71.6-82.4000110.4A235 F236 H237 P238 V245 L255 L301 L302 L315 W352A235-F295 HydrophobicContact CB-CD2 4.5Å; F236-F295 VanDerWaalsContact O-CD2 3.26Å; F236-F295 WeakPolarHBondContact O-CD2 3.44Å; F236-F295 WeakPolarHBondContact O-CE2 2.91Å; H237-F295 HydrophobicContact CB-CE1 4.35Å; H237-F295 HydrophobicContact CB-CE2 4.17Å; H237-F295 HydrophobicContact CB-CZ 3.99Å; H237-F295 AromaticContact CD2-CD1 3.74Å; H237-F295 AromaticContact CD2-CE1 3.5Å; P238-F295 HydrophobicContact CG-CB 4.16Å; V245-F295 HydrophobicContact CB-CE2 4.44Å; V245-F295 HydrophobicContact CB-CZ 4.28Å; V245-F295 HydrophobicContact CG1-CE1 4.27Å; V245-F295 HydrophobicContact CG1-CE2 4.23Å; V245-F295 HydrophobicContact CG1-CZ 3.6Å; V245-F295 HydrophobicContact CG2-CD2 4.38Å; V245-F295 HydrophobicContact CG2-CE2 3.6Å; V245-F295 HydrophobicContact CG2-CZ 3.86Å; L255-F295 HydrophobicContact CD1-CZ 4.23Å; F295-L301 WeakPolarHBondContact CA-O 3.31Å; F295-L302 HydrophobicContact CD1-CD2 3.38Å; F295-L302 HydrophobicContact CD1-CG 4.29Å; F295-L302 HydrophobicContact CD2-CD2 4.19Å; F295-L302 HydrophobicContact CE1-CD2 3.43Å; F295-L302 VanDerWaalsContact CE1-CD2 3.43Å; F295-L302 HydrophobicContact CE1-CG 4.27Å; F295-L302 HydrophobicContact CE2-CD2 4.24Å; F295-L302 HydrophobicContact CG-CD2 3.8Å; F295-L302 HydrophobicContact CZ-CD2 3.9Å; F295-L315 HydrophobicContact CD1-CD1 4.5Å; F295-L315 HydrophobicContact CE1-CD1 4.11Å; F295-L315 HydrophobicContact CE1-CD2 4.12Å; F295-W352 VanDerWaalsContact O-CD1 3.32Å; F295-W352 PolarHBondContact O-NE1 2.78Å
296S97.8Very high97Very high1 Ų122 Ų221%0.00712%0.123CC..  trans-64158.5166670000110.7C298 G299 L301 D356S296-C298 PolarHBondContact O-N 2.72Å; S296-C298 PolarHBondContact OG-SG 2.92Å; S296-G299 WeakPolarHBondContact O-CA 3.3Å; S296-G299 PolarHBondContact O-N 2.9Å; S296-G299 PolarHBondContact OG-N 2.95Å; S296-L301 PolarHBondContact N-O 3.02Å; S296-L301 PolarHBondContact OG-N 2.9Å; S296-L301 PolarHBondContact OG-O 2.8Å; S296-D356 WeakPolarHBondContact CB-OD2 3.39Å
297H95.8Very high97.2Very high84 Ų8420.7 Ų20.739%0.38912%0.116SC..THydrogen-bonded Turntrans-62.5-29.4179.6-61.591.4000111.9F239 G299 S353 D356F239-H297 WeakPolarHBondContact CE2-O 3.31Å; F239-H297 WeakPolarHBondContact CZ-O 3.46Å; H297-G299 VanDerWaalsContact C-N 3.32Å; H297-S353 PolarHBondContact CE1-O 2.96Å; H297-S353 PolarHBondContact ND1-O 3.19Å; H297-D356 WeakPolarHBondContact CB-OD1 3.28Å; H297-D356 IonicContact CE1-OD1 3.85Å; H297-D356 IonicContact CG-OD1 3.54Å; H297-D356 PolarHBondContact N-OD1 3.2Å; H297-D356 PolarHBondContact N-OD2 3.34Å; H297-D356 VanDerWaalsContact N-OD2 3.13Å; H297-D356 IonicContact ND1-OD1 3.58Å; H297-D356 PolarHBondContact ND1-OD1 3.19Å
298C93.4Very high97.3Very high64 Ų6420.2 Ų20.243%0.43211%0.113SC..THydrogen-bonded Turntrans-78.8-7.5171.962.60000115S296 N300 D356S296-C298 PolarHBondContact O-N 2.72Å; S296-C298 PolarHBondContact OG-SG 2.92Å; C298-N300 VanDerWaalsContact C-N 3.25Å; C298-N300 PolarHBondContact O-N 2.8Å; C298-D356 PolarHBondContact N-OD2 2.86Å; C298-D356 VanDerWaalsContact N-OD2 3.11Å; C298-D356 PolarHBondContact SG-OD2 3.36Å
299G96Very high97.4Very high0 Ų019.9 Ų19.90%011%0.109CC..SBendtrans76.6-7.5175.800000116.2H237 S296 H297 L315H237-G299 PolarHBondContact NE2-O 2.73Å; S296-G299 WeakPolarHBondContact O-CA 3.3Å; S296-G299 PolarHBondContact O-N 2.9Å; S296-G299 PolarHBondContact OG-N 2.95Å; H297-G299 VanDerWaalsContact C-N 3.32Å; G299-L315 WeakPolarHBondContact O-CD1 3.47Å
300N96.4Very high97.5Very high89 Ų8918.3 Ų18.348%0.47610%0.098SC..SBendtrans-87.7-15-176-68.1-52.9000114.4C298 L315C298-N300 VanDerWaalsContact C-N 3.25Å; C298-N300 PolarHBondContact O-N 2.8Å; N300-L315 WeakPolarHBondContact O-CG 3.35Å; N300-L315 PolarHBondContact O-N 3.07Å
301L98.1Very high97.5Very high22 Ų2219.4 Ų19.412%0.11510%0.102CC..EExtended strand (participates in β ladder)trans-120.9154.2-176.8-53.5174.6000110.8F295 S296 V312 W313 D314 W352 R373F295-L301 WeakPolarHBondContact CA-O 3.31Å; S296-L301 PolarHBondContact N-O 3.02Å; S296-L301 PolarHBondContact OG-N 2.9Å; S296-L301 PolarHBondContact OG-O 2.8Å; L301-V312 HydrophobicContact CB-CG1 4.23Å; L301-V312 HydrophobicContact CD1-CG1 4.18Å; L301-W313 CarbonylContact C-O 3.28Å; L301-W313 WeakPolarHBondContact CA-O 3.37Å; L301-D314 HydrophobicContact CD2-CB 4.04Å; L301-W352 HydrophobicContact CB-CH2 3.97Å; L301-W352 HydrophobicContact CB-CZ2 4.07Å; L301-W352 HydrophobicContact CD1-CH2 4.06Å; L301-R373 VanDerWaalsContact CD1-NH2 3.25Å
302L98.3Very high97.5Very high0 Ų018.9 Ų18.90%010%0.099CC..EExtended strand (participates in β ladder)trans-114.9137.1168.3-67.8168.5000109.3V245 I253 F271 V293 F295 V312 W313 L315V245-L302 HydrophobicContact CG1-CD1 4.05Å; V245-L302 HydrophobicContact CG1-CD2 4.15Å; V245-L302 HydrophobicContact CG2-CD2 4.13Å; I253-L302 HydrophobicContact CG2-CD1 4.28Å; F271-L302 HydrophobicContact CD2-CD1 4.44Å; F271-L302 HydrophobicContact CE2-CD1 4.25Å; F271-L302 HydrophobicContact CZ-CD1 4.38Å; V293-L302 HydrophobicContact CG1-CD2 4.03Å; F295-L302 HydrophobicContact CD1-CD2 3.38Å; F295-L302 HydrophobicContact CD1-CG 4.29Å; F295-L302 HydrophobicContact CD2-CD2 4.19Å; F295-L302 HydrophobicContact CE1-CD2 3.43Å; F295-L302 VanDerWaalsContact CE1-CD2 3.43Å; F295-L302 HydrophobicContact CE1-CG 4.27Å; F295-L302 HydrophobicContact CE2-CD2 4.24Å; F295-L302 HydrophobicContact CG-CD2 3.8Å; F295-L302 HydrophobicContact CZ-CD2 3.9Å; L302-V312 CarbonylContact O-C 3.36Å; L302-V312 VanDerWaalsContact O-CA 3.3Å; L302-V312 WeakPolarHBondContact O-CA 3.39Å; L302-W313 HydrophobicContact CB-CB 4.22Å; L302-W313 PolarHBondContact N-O 3.39Å; L302-W313 PolarHBondContact O-N 3.46Å; L302-L315 HydrophobicContact CD1-CD2 3.51Å; L302-L315 HydrophobicContact CD2-CD2 4.36Å; L302-L315 HydrophobicContact CG-CD2 3.63Å
303L98.6Very high97.5Very high0 Ų019 Ų190%010%0.099CC..EExtended strand (participates in β ladder)trans-103.3131.2165.5-175.664.1000108.1V293 K294 L310 K311 V312 C350 W352 L359V293-L303 CarbonylContact C-O 3.51Å; V293-L303 VanDerWaalsContact CA-O 3.3Å; V293-L303 WeakPolarHBondContact CA-O 3.34Å; K294-L303 HydrophobicContact CB-CB 4.49Å; K294-L303 PolarHBondContact N-O 3.05Å; K294-L303 PolarHBondContact O-N 3.45Å; L303-L310 HydrophobicContact CD1-CD1 4.37Å; L303-L310 HydrophobicContact CD1-CD2 3.69Å; L303-L310 HydrophobicContact CD1-CG 3.72Å; L303-L310 HydrophobicContact CG-CG 4.4Å; L303-K311 WeakPolarHBondContact CA-O 3.25Å; L303-V312 HydrophobicContact CD1-CG2 3.93Å; L303-C350 HydrophobicContact CD2-CB 3.74Å; L303-C350 HydrophobicContact CG-CB 4.12Å; L303-W352 HydrophobicContact CB-CD2 4.4Å; L303-W352 VanDerWaalsContact CB-CE2 3.47Å; L303-W352 HydrophobicContact CB-CH2 4.47Å; L303-W352 HydrophobicContact CB-CZ2 3.53Å; L303-W352 VanDerWaalsContact CB-NE1 3.33Å; L303-W352 HydrophobicContact CD2-CD2 4.43Å; L303-W352 HydrophobicContact CD2-CG 4.48Å; L303-L359 HydrophobicContact CD1-CD1 4Å; L303-L359 HydrophobicContact CD1-CD2 3.86Å; L303-L359 HydrophobicContact CD1-CG 4.44Å; L303-L359 HydrophobicContact CD2-CD2 4.03Å
304T98.6Very high97.5Very high5 Ų521.2 Ų21.23%0.03111%0.111CC..EExtended strand (participates in β ladder)trans-128.4144.1176.6660000110.4I253 D292 V293 L310 K311 W313I253-T304 HydrophobicContact CD1-CG2 3.65Å; I253-T304 HydrophobicContact CG1-CG2 3.94Å; D292-T304 WeakPolarHBondContact O-CA 3.17Å; V293-T304 HydrophobicContact CG1-CG2 4.31Å; V293-T304 HydrophobicContact CG2-CG2 3.93Å; T304-L310 WeakPolarHBondContact O-CA 3.48Å; T304-K311 PolarHBondContact N-O 2.96Å; T304-K311 PolarHBondContact O-N 3.4Å; T304-K311 PolarHBondContact OG1-O 3.22Å; T304-W313 PolarHBondContact OG1-NE1 3.46Å
305R98.4Very high97.4Very high0 Ų020.6 Ų20.60%011%0.109CC..EExtended strand (participates in β ladder)trans-115.1127.2173.5-178.467-156.6-1151.4109V290 S291 D292 Y307 T309 L310 H328 F348 C350 T361 G362V290-R305 CarbonylContact C-O 3.51Å; S291-R305 PolarHBondContact N-O 2.79Å; S291-R305 WeakPolarHBondContact OG-CB 3.18Å; S291-R305 VanDerWaalsContact OG-CG 3.26Å; S291-R305 WeakPolarHBondContact OG-CG 3.19Å; S291-R305 PolarHBondContact OG-O 2.82Å; S291-R305 VanDerWaalsContact OG-O 3.12Å; D292-R305 HydrophobicContact CB-CB 4.45Å; D292-R305 PolarHBondContact O-N 2.88Å; R305-Y307 PolarHBondContact NH2-O 3.35Å; R305-T309 WeakPolarHBondContact CD-O 3.35Å; R305-L310 HydrophobicContact CB-CD1 4.34Å; R305-H328 PolarHBondContact NH2-CE1 3.09Å; R305-H328 PolarHBondContact NH2-ND1 3.21Å; R305-F348 HydrophobicContact CG-CB 4.19Å; R305-F348 WeakPolarHBondContact CG-O 3.49Å; R305-C350 HydrophobicContact CB-CB 4Å; R305-T361 PolarHBondContact NH1-OG1 2.77Å; R305-G362 PolarHBondContact NH1-O 3.15Å
306D97.2Very high97.3Very high19 Ų1927.5 Ų27.510%0.10214%0.139CC..  trans-111-173.8162.569.941000108.9I287 L308 T309 K311I287-D306 WeakPolarHBondContact O-CB 3.29Å; D306-L308 VanDerWaalsContact C-N 3.33Å; D306-L308 PolarHBondContact O-N 3.28Å; D306-L308 PolarHBondContact OD1-N 3.5Å; D306-T309 VanDerWaalsContact CG-OG1 3.27Å; D306-T309 PolarHBondContact N-O 2.84Å; D306-T309 PolarHBondContact OD1-N 3.33Å; D306-T309 PolarHBondContact OD1-OG1 3.38Å; D306-T309 VanDerWaalsContact OD1-OG1 3.14Å; D306-T309 PolarHBondContact OD2-OG1 2.8Å; D306-K311 WeakPolarHBondContact OD2-CE 3.38Å; D306-K311 IonicContact OD2-NZ 2.75Å
307Y97Very high97.2Very high9 Ų930.1 Ų30.14%0.03515%0.151CC..SBendtrans-61.4-41.7-174.6-171.4-107.9000112.9I287 R305 H328 L335 L338 C343 M344 F348 Y364I287-Y307 HydrophobicContact CG2-CD1 3.99Å; I287-Y307 HydrophobicContact CG2-CG 4.34Å; I287-Y307 PolarHBondContact O-N 2.85Å; I287-Y307 VanDerWaalsContact O-N 3.17Å; R305-Y307 PolarHBondContact NH2-O 3.35Å; Y307-H328 PolarHBondContact O-ND1 3.3Å; Y307-L335 HydrophobicContact CE1-CD2 4.36Å; Y307-L338 HydrophobicContact CE1-CD1 4.29Å; Y307-C343 WeakPolarHBondContact CE2-O 3.39Å; Y307-M344 WeakPolarHBondContact CD2-O 3.29Å; Y307-F348 HydrophobicContact CE2-CE2 4.37Å; Y307-Y364 HydrophobicContact CE2-CE2 4.45Å; Y307-Y364 WeakPolarHBondContact CE2-OH 3.35Å; Y307-Y364 WeakPolarHBondContact OH-CE2 3.43Å; Y307-Y364 PolarHBondContact OH-OH 3.14Å
308L96.6Very high97.1Very high4 Ų430.5 Ų30.52%0.02115%0.154CC..SBendtrans-98.8-30.7-171.5-64.1-174.9000113.5I287 D306 V327 H328 L335I287-L308 HydrophobicContact CD1-CD1 3.74Å; I287-L308 HydrophobicContact CD1-CG 4.38Å; D306-L308 VanDerWaalsContact C-N 3.33Å; D306-L308 PolarHBondContact O-N 3.28Å; D306-L308 PolarHBondContact OD1-N 3.5Å; L308-V327 WeakPolarHBondContact O-CA 3.06Å; L308-V327 WeakPolarHBondContact O-CB 3.41Å; L308-V327 PolarHBondContact O-N 3.44Å; L308-H328 HydrophobicContact CD2-CB 4.02Å; L308-H328 PolarHBondContact O-N 2.61Å; L308-L335 HydrophobicContact CD2-CD2 4.41Å
309T97.4Very high97.2Very high14 Ų1432.4 Ų32.49%0.08616%0.159CC..EExtended strand (participates in β ladder)trans-133.2160.1-164.677.10000113R305 D306 K311 T324 Y325R305-T309 WeakPolarHBondContact CD-O 3.35Å; D306-T309 VanDerWaalsContact CG-OG1 3.27Å; D306-T309 PolarHBondContact N-O 2.84Å; D306-T309 PolarHBondContact OD1-N 3.33Å; D306-T309 PolarHBondContact OD1-OG1 3.38Å; D306-T309 VanDerWaalsContact OD1-OG1 3.14Å; D306-T309 PolarHBondContact OD2-OG1 2.8Å; T309-K311 WeakPolarHBondContact OG1-CE 3.2Å; T309-T324 HydrophobicContact CG2-CG2 4.39Å; T309-Y325 VanDerWaalsContact CA-O 3.31Å; T309-Y325 WeakPolarHBondContact CA-O 3.36Å
310L98.1Very high97.2Very high0 Ų039.4 Ų39.40%019%0.186CC..EExtended strand (participates in β ladder)trans-116.8125.4170.6-161.798.1000107.2L303 T304 R305 Y325 V327 C350 L359 T361 F371L303-L310 HydrophobicContact CD1-CD1 4.37Å; L303-L310 HydrophobicContact CD1-CD2 3.69Å; L303-L310 HydrophobicContact CD1-CG 3.72Å; L303-L310 HydrophobicContact CG-CG 4.4Å; T304-L310 WeakPolarHBondContact O-CA 3.48Å; R305-L310 HydrophobicContact CB-CD1 4.34Å; L310-Y325 HydrophobicContact CD2-CD2 4.42Å; L310-Y325 PolarHBondContact N-O 2.78Å; L310-Y325 PolarHBondContact O-N 3.32Å; L310-V327 HydrophobicContact CB-CG2 3.92Å; L310-C350 HydrophobicContact CD1-CB 3.55Å; L310-L359 HydrophobicContact CD2-CB 3.58Å; L310-L359 HydrophobicContact CD2-CD1 3.52Å; L310-L359 HydrophobicContact CD2-CG 4.11Å; L310-T361 HydrophobicContact CD1-CG2 3.97Å; L310-F371 HydrophobicContact CD2-CD2 4.29Å
311K98.1Very high97.2Very high29 Ų2935.6 Ų35.613%0.12617%0.166CC..EExtended strand (participates in β ladder)trans-122.7135.2-174-61.3178.7-175.6-170.80110.6E273 L303 T304 D306 T309 W313 P321 E323 T324E273-K311 IonicContact OE2-NZ 3.2Å; E273-K311 PolarHBondContact OE2-NZ 2.85Å; L303-K311 WeakPolarHBondContact CA-O 3.25Å; T304-K311 PolarHBondContact N-O 2.96Å; T304-K311 PolarHBondContact O-N 3.4Å; T304-K311 PolarHBondContact OG1-O 3.22Å; D306-K311 WeakPolarHBondContact OD2-CE 3.38Å; D306-K311 IonicContact OD2-NZ 2.75Å; T309-K311 WeakPolarHBondContact OG1-CE 3.2Å; K311-W313 HydrophobicContact CD-CZ2 4.15Å; K311-P321 HydrophobicContact CB-CB 3.96Å; K311-P321 HydrophobicContact CB-CG 4.46Å; K311-P321 HydrophobicContact CD-CG 4.17Å; K311-P321 HydrophobicContact CG-CB 4.44Å; K311-P321 HydrophobicContact CG-CG 4.41Å; K311-E323 CarbonylContact C-O 3.49Å; K311-E323 WeakPolarHBondContact CA-O 3.48Å; K311-T324 HydrophobicContact CG-CG2 4.15Å
312V98.4Very high97.2Very high0 Ų037.5 Ų37.50%018%0.178CC..EExtended strand (participates in β ladder)trans-103.6130.9171-177.70000108.5L301 L302 L303 P321 V322 E323 Y325 W352 L359L301-V312 HydrophobicContact CB-CG1 4.23Å; L301-V312 HydrophobicContact CD1-CG1 4.18Å; L302-V312 CarbonylContact O-C 3.36Å; L302-V312 VanDerWaalsContact O-CA 3.3Å; L302-V312 WeakPolarHBondContact O-CA 3.39Å; L303-V312 HydrophobicContact CD1-CG2 3.93Å; V312-P321 CarbonylContact O-C 3.59Å; V312-P321 WeakPolarHBondContact O-CA 3.41Å; V312-P321 VanDerWaalsContact O-CB 3.28Å; V312-P321 WeakPolarHBondContact O-CB 3.49Å; V312-V322 HydrophobicContact CB-CG2 4.07Å; V312-V322 HydrophobicContact CG1-CG2 3.76Å; V312-V322 WeakPolarHBondContact O-CG2 3.4Å; V312-V322 PolarHBondContact O-N 3.48Å; V312-E323 HydrophobicContact CB-CB 3.97Å; V312-E323 HydrophobicContact CB-CG 4.47Å; V312-E323 HydrophobicContact CG2-CB 4.17Å; V312-E323 PolarHBondContact N-O 3.06Å; V312-E323 PolarHBondContact O-N 2.78Å; V312-Y325 HydrophobicContact CG2-CE2 4.3Å; V312-W352 HydrophobicContact CG1-CH2 3.74Å; V312-W352 HydrophobicContact CG1-CZ2 4.46Å; V312-W352 HydrophobicContact CG2-CH2 4.12Å; V312-L359 HydrophobicContact CG2-CD1 3.78Å
313W98.3Very high97.1Very high5 Ų539.7 Ų39.72%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-117.9140.2177.8-53.776.2000109.8I253 F271 E273 L301 L302 T304 K311 R320 P321I253-W313 HydrophobicContact CD1-CZ2 4.08Å; F271-W313 HydrophobicContact CB-CD2 4.3Å; F271-W313 HydrophobicContact CB-CE3 3.88Å; F271-W313 HydrophobicContact CB-CZ3 3.98Å; F271-W313 HydrophobicContact CD1-CB 4.23Å; F271-W313 HydrophobicContact CD1-CD2 4.45Å; F271-W313 AromaticContact CD1-CE3 3.96Å; F271-W313 HydrophobicContact CD1-CE3 3.96Å; F271-W313 HydrophobicContact CG-CE3 4.41Å; E273-W313 HydrophobicContact CB-CH2 4.13Å; L301-W313 CarbonylContact C-O 3.28Å; L301-W313 WeakPolarHBondContact CA-O 3.37Å; L302-W313 HydrophobicContact CB-CB 4.22Å; L302-W313 PolarHBondContact N-O 3.39Å; L302-W313 PolarHBondContact O-N 3.46Å; T304-W313 PolarHBondContact OG1-NE1 3.46Å; K311-W313 HydrophobicContact CD-CZ2 4.15Å; W313-R320 VanDerWaalsContact CE3-C 3.45Å; W313-P321 HydrophobicContact CD2-CB 4.04Å; W313-P321 HydrophobicContact CE3-CB 4.34Å; W313-P321 HydrophobicContact CG-CB 4.46Å; W313-P321 HydrophobicContact CZ2-CB 4.3Å; W313-P321 HydrophobicContact CZ2-CG 4.49Å
314D97.4Very high97.1Very high49 Ų4942.8 Ų42.826%0.26221%0.207SC..EExtended strand (participates in β ladder)trans-86.5130.7165.6-175.9-44.8000108F271 L301 K316 M317 V322F271-D314 WeakPolarHBondContact CE1-O 3.37Å; L301-D314 HydrophobicContact CD2-CB 4.04Å; D314-K316 PolarHBondContact O-N 2.61Å; D314-K316 WeakPolarHBondContact OD1-CA 3.41Å; D314-K316 VanDerWaalsContact OD1-CB 3.27Å; D314-K316 WeakPolarHBondContact OD1-CB 3.35Å; D314-K316 PolarHBondContact OD1-N 3.07Å; D314-M317 HydrophobicContact CB-CB 4.13Å; D314-M317 CarbonylContact O-C 3.58Å; D314-M317 PolarHBondContact O-N 3.25Å; D314-M317 VanDerWaalsContact O-O 3.06Å; D314-V322 HydrophobicContact CB-CG1 3.79Å
315L96.6Very high97Very high16 Ų1643.9 Ų43.98%0.08421%0.211CC..THydrogen-bonded Turntrans-55.8-23.2-180-73.4-177.8000113.5L255 R269 F271 F295 G299 N300 L302L255-L315 HydrophobicContact CD2-CD2 4.37Å; R269-L315 WeakPolarHBondContact CD-O 3.26Å; R269-L315 PolarHBondContact NH1-O 2.78Å; F271-L315 HydrophobicContact CE2-CD2 4.48Å; F271-L315 HydrophobicContact CZ-CD2 3.88Å; F271-L315 WeakPolarHBondContact CZ-O 3.22Å; F295-L315 HydrophobicContact CD1-CD1 4.5Å; F295-L315 HydrophobicContact CE1-CD1 4.11Å; F295-L315 HydrophobicContact CE1-CD2 4.12Å; G299-L315 WeakPolarHBondContact O-CD1 3.47Å; N300-L315 WeakPolarHBondContact O-CG 3.35Å; N300-L315 PolarHBondContact O-N 3.07Å; L302-L315 HydrophobicContact CD1-CD2 3.51Å; L302-L315 HydrophobicContact CD2-CD2 4.36Å; L302-L315 HydrophobicContact CG-CD2 3.63Å
316K95.9Very high96.9Very high168 Ų16848 Ų4873%0.7323%0.233SC*.THydrogen-bonded Turntrans-87.9-9.6177.5-57.1173.2-175.3171.90113.6D314D314-K316 PolarHBondContact O-N 2.61Å; D314-K316 WeakPolarHBondContact OD1-CA 3.41Å; D314-K316 VanDerWaalsContact OD1-CB 3.27Å; D314-K316 WeakPolarHBondContact OD1-CB 3.35Å; D314-K316 PolarHBondContact OD1-N 3.07Å
317M95.8Very high96.9Very high55 Ų5547.1 Ų47.127%0.27123%0.228SC..  trans-122.399.4-179.3-172.4170.4-156.400110.7D314 N319 R320 V322D314-M317 HydrophobicContact CB-CB 4.13Å; D314-M317 CarbonylContact O-C 3.58Å; D314-M317 PolarHBondContact O-N 3.25Å; D314-M317 VanDerWaalsContact O-O 3.06Å; M317-N319 WeakPolarHBondContact CG-OD1 3.22Å; M317-R320 HydrophobicContact CE-CG 3.68Å; M317-R320 HydrophobicContact SD-CG 4.33Å; M317-V322 HydrophobicContact SD-CG1 4.11Å
318Q94.6Very high96.8Very high93 Ų9346.7 Ų46.744%0.43523%0.227SC..  trans-96.9-14.1-169.577.1-170.327.200115V270 F271 E272V270-Q318 WeakPolarHBondContact O-CB 3.35Å; F271-Q318 VanDerWaalsContact CA-O 3.31Å; F271-Q318 WeakPolarHBondContact CA-O 3.49Å; F271-Q318 HydrophobicContact CD1-CB 4.02Å; F271-Q318 HydrophobicContact CE1-CB 4.15Å; F271-Q318 HydrophobicContact CG-CB 4.41Å; E272-Q318 PolarHBondContact N-O 2.72Å; E272-Q318 VanDerWaalsContact N-O 3.16Å
319N95.1Very high96.6Very high103 Ų10349.6 Ų49.655%0.55124%0.242SC*.SBendtrans-91.8-7.9-170.761-24.7000114.9E272 M317E272-N319 CarbonylContact O-C 3.56Å; E272-N319 VanDerWaalsContact O-C 3.28Å; M317-N319 WeakPolarHBondContact CG-OD1 3.22Å
320R96.2Very high96.3Very high147 Ų14750.5 Ų50.556%0.55524%0.244SC*.SBendtrans-167.6155.8174.459.5177.4-172.1-163-0.8110.2W313 M317W313-R320 VanDerWaalsContact CE3-C 3.45Å; M317-R320 HydrophobicContact CE-CG 3.68Å; M317-R320 HydrophobicContact SD-CG 4.33Å
321P97.2Very high96.2Very high10 Ų1050.5 Ų50.57%0.06524%0.244CC..  trans-65153.5168.530.2-37000111.3K311 V312 W313 T324K311-P321 HydrophobicContact CB-CB 3.96Å; K311-P321 HydrophobicContact CB-CG 4.46Å; K311-P321 HydrophobicContact CD-CG 4.17Å; K311-P321 HydrophobicContact CG-CB 4.44Å; K311-P321 HydrophobicContact CG-CG 4.41Å; V312-P321 CarbonylContact O-C 3.59Å; V312-P321 WeakPolarHBondContact O-CA 3.41Å; V312-P321 VanDerWaalsContact O-CB 3.28Å; V312-P321 WeakPolarHBondContact O-CB 3.49Å; W313-P321 HydrophobicContact CD2-CB 4.04Å; W313-P321 HydrophobicContact CE3-CB 4.34Å; W313-P321 HydrophobicContact CG-CB 4.46Å; W313-P321 HydrophobicContact CZ2-CB 4.3Å; W313-P321 HydrophobicContact CZ2-CG 4.49Å; P321-T324 WeakPolarHBondContact CG-OG1 3.32Å
322V97.1Very high95.9Very high61 Ų6155.4 Ų55.437%0.3726%0.262SS..SBendtrans-81.8-29.7171.8-680000112.1V312 D314 M317V312-V322 HydrophobicContact CB-CG2 4.07Å; V312-V322 HydrophobicContact CG1-CG2 3.76Å; V312-V322 WeakPolarHBondContact O-CG2 3.4Å; V312-V322 PolarHBondContact O-N 3.48Å; D314-V322 HydrophobicContact CB-CG1 3.79Å; M317-V322 HydrophobicContact SD-CG1 4.11Å
323E97.3Very high95.5Very high46 Ų4659.3 Ų59.322%0.21530%0.303CS..EExtended strand (participates in β ladder)trans-140.9140.3178-55.7156.1-148.200109.2K311 V312 Y325 R373K311-E323 CarbonylContact C-O 3.49Å; K311-E323 WeakPolarHBondContact CA-O 3.48Å; V312-E323 HydrophobicContact CB-CB 3.97Å; V312-E323 HydrophobicContact CB-CG 4.47Å; V312-E323 HydrophobicContact CG2-CB 4.17Å; V312-E323 PolarHBondContact N-O 3.06Å; V312-E323 PolarHBondContact O-N 2.78Å; E323-Y325 HydrophobicContact CB-CE2 3.74Å; E323-Y325 PolarHBondContact OE2-OH 2.63Å; E323-R373 IonicContact OE1-CZ 2.93Å; E323-R373 IonicContact OE1-NE 3.42Å; E323-R373 PolarHBondContact OE1-NE 3.42Å; E323-R373 IonicContact OE1-NH2 3.3Å; E323-R373 PolarHBondContact OE1-NH2 2.83Å; E323-R373 WeakPolarHBondContact OE2-CG 3.12Å; E323-R373 IonicContact OE2-CZ 3.42Å; E323-R373 IonicContact OE2-NE 3.73Å; E323-R373 PolarHBondContact OE2-NE 3.19Å; E323-R373 IonicContact OE2-NH2 2.79Å
324T97.1Very high95.2Very high65 Ų6562.7 Ų62.740%0.39932%0.315SS..EExtended strand (participates in β ladder)trans-132.6133.1176.3-59.50000109T309 K311 P321T309-T324 HydrophobicContact CG2-CG2 4.39Å; K311-T324 HydrophobicContact CG-CG2 4.15Å; P321-T324 WeakPolarHBondContact CG-OG1 3.32Å
325Y97.8Very high95Very high29 Ų2961 Ų6111%0.11431%0.307CS..EExtended strand (participates in β ladder)trans-125.6126.9-179.6-57.6-87.7000110.8T309 L310 V312 E323 V327 L359 F371 R373T309-Y325 VanDerWaalsContact CA-O 3.31Å; T309-Y325 WeakPolarHBondContact CA-O 3.36Å; L310-Y325 HydrophobicContact CD2-CD2 4.42Å; L310-Y325 PolarHBondContact N-O 2.78Å; L310-Y325 PolarHBondContact O-N 3.32Å; V312-Y325 HydrophobicContact CG2-CE2 4.3Å; E323-Y325 HydrophobicContact CB-CE2 3.74Å; E323-Y325 PolarHBondContact OE2-OH 2.63Å; Y325-V327 PolarHBondContact O-N 2.68Å; Y325-L359 HydrophobicContact CD2-CD1 3.7Å; Y325-L359 HydrophobicContact CE2-CD1 3.38Å; Y325-F371 HydrophobicContact CD1-CB 3.81Å; Y325-F371 AromaticContact CD1-CD1 3.6Å; Y325-F371 HydrophobicContact CD1-CD1 3.6Å; Y325-F371 HydrophobicContact CD1-CE1 4.37Å; Y325-F371 AromaticContact CD1-CG 3.83Å; Y325-F371 HydrophobicContact CD1-CG 3.83Å; Y325-F371 HydrophobicContact CE1-CB 4Å; Y325-F371 HydrophobicContact CE1-CD1 4.48Å; Y325-F371 HydrophobicContact CG-CB 4.22Å; Y325-F371 HydrophobicContact CG-CD1 4.03Å; Y325-F371 HydrophobicContact CG-CG 4.02Å; Y325-R373 WeakPolarHBondContact OH-CA 3.32Å
326D96.6Very high94.9Very high86 Ų8663.6 Ų63.646%0.4633%0.325SS..EExtended strand (participates in β ladder)trans-79.2112.5178.9-63.1-40.9000110.6D329 R369D326-D329 HydrophobicContact CB-CB 3.92Å; D326-R369 PolarHBondContact O-NH1 3Å
327V97Very high94.7Very high0 Ų057.9 Ų57.90%031%0.309CS..SBendtrans-92.3-49.8179-171.70000110.5L308 L310 Y325 Y330 T361 R369 F371L308-V327 WeakPolarHBondContact O-CA 3.06Å; L308-V327 WeakPolarHBondContact O-CB 3.41Å; L308-V327 PolarHBondContact O-N 3.44Å; L310-V327 HydrophobicContact CB-CG2 3.92Å; Y325-V327 PolarHBondContact O-N 2.68Å; V327-Y330 WeakPolarHBondContact O-CE1 3.43Å; V327-T361 HydrophobicContact CG1-CG2 3.89Å; V327-T361 HydrophobicContact CG2-CG2 3.89Å; V327-R369 HydrophobicContact CG1-CG 4.39Å; V327-R369 PolarHBondContact O-NH1 2.85Å; V327-F371 HydrophobicContact CG2-CE2 4.17Å; V327-F371 HydrophobicContact CG2-CZ 4.19Å
328H94Very high94.7Very high0 Ų055.4 Ų55.40%030%0.297CS..SBendtrans-124.523.2-173.2-60.3158.2000113.1R305 Y307 L308 Y330 L331 F348 A363R305-H328 PolarHBondContact NH2-CE1 3.09Å; R305-H328 PolarHBondContact NH2-ND1 3.21Å; Y307-H328 PolarHBondContact O-ND1 3.3Å; L308-H328 HydrophobicContact CD2-CB 4.02Å; L308-H328 PolarHBondContact O-N 2.61Å; H328-Y330 PolarHBondContact O-N 3.4Å; H328-Y330 VanDerWaalsContact O-N 3.08Å; H328-L331 HydrophobicContact CB-CB 4.47Å; H328-L331 HydrophobicContact CB-CD1 3.97Å; H328-L331 HydrophobicContact CB-CG 4.25Å; H328-L331 VanDerWaalsContact O-CB 3.28Å; H328-L331 WeakPolarHBondContact O-CB 3.3Å; H328-L331 PolarHBondContact O-N 3.01Å; H328-F348 AromaticContact CE1-CE2 3.69Å; H328-F348 AromaticContact CE1-CZ 3.76Å; H328-A363 VanDerWaalsContact NE2-CA 3.33Å; H328-A363 WeakPolarHBondContact NE2-CA 3.47Å; H328-A363 WeakPolarHBondContact NE2-CB 2.97Å
329D92.2Very high94.7Very high65 Ų6555.4 Ų55.435%0.34829%0.293SS..G310 helixtrans-59.9-27-175.2-168.161.8000113D326 L331 R332D326-D329 HydrophobicContact CB-CB 3.92Å; D329-L331 PolarHBondContact O-N 3.38Å; D329-R332 VanDerWaalsContact O-CB 3.22Å; D329-R332 WeakPolarHBondContact O-CB 3.35Å; D329-R332 PolarHBondContact O-N 2.64Å; D329-R332 IonicContact OD1-CZ 2.7Å; D329-R332 IonicContact OD1-NH1 2.8Å; D329-R332 PolarHBondContact OD1-NH1 3.18Å
330Y92.1Very high94.7Very high33 Ų3357.2 Ų57.213%0.12930%0.299CS..G310 helixtrans-61.1-12.1170.257.8-102.4000115V327 H328 F399 F410 A412 L415V327-Y330 WeakPolarHBondContact O-CE1 3.43Å; H328-Y330 PolarHBondContact O-N 3.4Å; H328-Y330 VanDerWaalsContact O-N 3.08Å; Y330-F399 VanDerWaalsContact CB-CE2 3.48Å; Y330-F399 HydrophobicContact CD1-CD2 4.19Å; Y330-F399 HydrophobicContact CD1-CG 4.16Å; Y330-F399 HydrophobicContact CD2-CD2 4.35Å; Y330-F399 HydrophobicContact CD2-CE2 4.29Å; Y330-F399 AromaticContact CG-CD2 3.88Å; Y330-F399 HydrophobicContact CG-CD2 3.88Å; Y330-F399 AromaticContact CG-CE2 3.92Å; Y330-F399 HydrophobicContact CG-CE2 3.92Å; Y330-F399 HydrophobicContact CG-CG 4.22Å; Y330-F399 HydrophobicContact CG-CZ 4.3Å; Y330-F410 HydrophobicContact CE1-CE2 4.16Å; Y330-F410 HydrophobicContact CE1-CZ 4.27Å; Y330-F410 HydrophobicContact CE2-CE2 4.25Å; Y330-F410 AromaticContact CZ-CE2 3.95Å; Y330-A412 HydrophobicContact CD2-CB 4.45Å; Y330-L415 HydrophobicContact CD2-CD1 4.22Å; Y330-L415 HydrophobicContact CE2-CD1 3.55Å
331L94.3Very high94.5Very high0 Ų055.5 Ų55.50%030%0.301CS..G310 helixtrans-92-4.8174.7-63.2-175.1000113.4H328 D329 G333 R334 L335 L338 Y364 A412 L415 F417H328-L331 HydrophobicContact CB-CB 4.47Å; H328-L331 HydrophobicContact CB-CD1 3.97Å; H328-L331 HydrophobicContact CB-CG 4.25Å; H328-L331 VanDerWaalsContact O-CB 3.28Å; H328-L331 WeakPolarHBondContact O-CB 3.3Å; H328-L331 PolarHBondContact O-N 3.01Å; D329-L331 PolarHBondContact O-N 3.38Å; L331-G333 PolarHBondContact O-N 2.88Å; L331-R334 WeakPolarHBondContact O-CA 3.05Å; L331-R334 PolarHBondContact O-N 3.05Å; L331-L335 PolarHBondContact O-N 3Å; L331-L338 HydrophobicContact CB-CD1 3.82Å; L331-L338 HydrophobicContact CD1-CD1 4.05Å; L331-L338 HydrophobicContact CD2-CD1 4.48Å; L331-L338 HydrophobicContact CG-CD1 4.34Å; L331-Y364 HydrophobicContact CD1-CD2 3.75Å; L331-Y364 HydrophobicContact CD1-CE2 3.77Å; L331-A412 HydrophobicContact CD2-CB 4.42Å; L331-L415 HydrophobicContact CD2-CD1 3.86Å; L331-F417 HydrophobicContact CD1-CE1 4.15Å; L331-F417 HydrophobicContact CD2-CE1 3.98Å; L331-F417 HydrophobicContact CD2-CZ 4.08Å
332R91.9Very high94.4Very high132 Ų13260.2 Ų60.250%0.49833%0.325SS..G310 helixtrans-58.9-33-176.7-158.9178.8-155.9106.25.2113.2D329 R334 L335D329-R332 VanDerWaalsContact O-CB 3.22Å; D329-R332 WeakPolarHBondContact O-CB 3.35Å; D329-R332 PolarHBondContact O-N 2.64Å; D329-R332 IonicContact OD1-CZ 2.7Å; D329-R332 IonicContact OD1-NH1 2.8Å; D329-R332 PolarHBondContact OD1-NH1 3.18Å; R332-R334 PolarHBondContact O-N 3Å; R332-L335 HydrophobicContact CG-CD1 4.29Å; R332-L335 WeakPolarHBondContact O-CG 3.31Å
333G90.8Very high94.3Very high83 Ų8358 Ų5886%0.85631%0.312SS*.G310 helixtrans-73.4-5.7173.600000115L331L331-G333 PolarHBondContact O-N 2.88Å
334R91.8Very high94.1Very high75 Ų7556 Ų5628%0.28330%0.303SS..G310 helixtrans-120.610.1-174.4-60.5-171.9-171.1-114.9-14.8114.1L331 R332 C336 A337 L338 A412 D413L331-R334 WeakPolarHBondContact O-CA 3.05Å; L331-R334 PolarHBondContact O-N 3.05Å; R332-R334 PolarHBondContact O-N 3Å; R334-C336 PolarHBondContact O-N 3.06Å; R334-C336 VanDerWaalsContact O-N 3.14Å; R334-A337 PolarHBondContact O-N 3.03Å; R334-L338 HydrophobicContact CB-CD1 4.16Å; R334-L338 HydrophobicContact CB-CG 4.41Å; R334-L338 WeakPolarHBondContact O-CG 3.47Å; R334-L338 PolarHBondContact O-N 2.75Å; R334-A412 VanDerWaalsContact NE-CB 3.3Å; R334-D413 IonicContact CZ-OD1 2.9Å; R334-D413 IonicContact NH1-OD1 2.81Å; R334-D413 PolarHBondContact NH1-OD1 3.32Å; R334-D413 IonicContact NH2-OD1 3.47Å; R334-D413 PolarHBondContact NH2-OD1 2.89Å; R334-D413 IonicContact NH2-OD2 3.64Å; R334-D413 PolarHBondContact NH2-OD2 3.34Å
335L93.7Very high94Very high15 Ų1557.9 Ų57.98%0.07931%0.306CS..Hα-helixtrans-55.1-36.7-174.8-64177.5000112.9F283 I287 Y307 L308 L331 R332 L338 Y339 M344F283-L335 HydrophobicContact CB-CD1 4.15Å; F283-L335 HydrophobicContact CD1-CB 4.45Å; F283-L335 HydrophobicContact CD2-CB 4.04Å; F283-L335 HydrophobicContact CD2-CD1 4.5Å; F283-L335 HydrophobicContact CE2-CB 4.36Å; F283-L335 HydrophobicContact CG-CB 4.09Å; F283-L335 HydrophobicContact CG-CD1 4.48Å; I287-L335 HydrophobicContact CG2-CD2 4.23Å; Y307-L335 HydrophobicContact CE1-CD2 4.36Å; L308-L335 HydrophobicContact CD2-CD2 4.41Å; L331-L335 PolarHBondContact O-N 3Å; R332-L335 HydrophobicContact CG-CD1 4.29Å; R332-L335 WeakPolarHBondContact O-CG 3.31Å; L335-L338 PolarHBondContact O-N 2.77Å; L335-Y339 WeakPolarHBondContact O-CB 3.44Å; L335-Y339 PolarHBondContact O-N 3.31Å; L335-M344 HydrophobicContact CB-CE 3.59Å; L335-M344 HydrophobicContact CD1-CE 4.39Å; L335-M344 HydrophobicContact CD2-CE 3.41Å; L335-M344 VanDerWaalsContact CD2-CE 3.41Å; L335-M344 HydrophobicContact CG-CE 3.92Å
336C93.7Very high94Very high70 Ų7057.6 Ų57.647%0.47331%0.306SS..Hα-helixtrans-61.2-49.4175.9-163.30000112.4F283 R334 L338 Y339 E340F283-C336 HydrophobicContact CZ-CB 4.14Å; R334-C336 PolarHBondContact O-N 3.06Å; R334-C336 VanDerWaalsContact O-N 3.14Å; C336-L338 VanDerWaalsContact C-N 3.3Å; C336-L338 PolarHBondContact O-N 2.83Å; C336-Y339 WeakPolarHBondContact O-CB 3.3Å; C336-Y339 PolarHBondContact O-N 3.3Å; C336-E340 WeakPolarHBondContact O-CG 3.38Å; C336-E340 PolarHBondContact O-N 2.86Å
337A93.2Very high94Very high47 Ų4758.6 Ų58.639%0.38831%0.306SS..Hα-helixtrans-68.1-30.817900000112.6R334 N341R334-A337 PolarHBondContact O-N 3.03Å; A337-N341 PolarHBondContact O-N 3.13Å; A337-N341 PolarHBondContact O-ND2 2.87Å
338L94.5Very high94Very high4 Ų458.6 Ų58.62%0.02131%0.307CS..Hα-helixtrans-73.6-32176.4-68166.5000112.2Y307 L331 R334 L335 C336 D342 C343 M344 F417Y307-L338 HydrophobicContact CE1-CD1 4.29Å; L331-L338 HydrophobicContact CB-CD1 3.82Å; L331-L338 HydrophobicContact CD1-CD1 4.05Å; L331-L338 HydrophobicContact CD2-CD1 4.48Å; L331-L338 HydrophobicContact CG-CD1 4.34Å; R334-L338 HydrophobicContact CB-CD1 4.16Å; R334-L338 HydrophobicContact CB-CG 4.41Å; R334-L338 WeakPolarHBondContact O-CG 3.47Å; R334-L338 PolarHBondContact O-N 2.75Å; L335-L338 PolarHBondContact O-N 2.77Å; C336-L338 VanDerWaalsContact C-N 3.3Å; C336-L338 PolarHBondContact O-N 2.83Å; L338-D342 PolarHBondContact O-N 3.37Å; L338-C343 HydrophobicContact CB-CB 4.5Å; L338-C343 HydrophobicContact CD2-CB 3.89Å; L338-C343 PolarHBondContact O-N 3.42Å; L338-M344 HydrophobicContact CB-CB 4.46Å; L338-M344 PolarHBondContact O-N 2.88Å; L338-M344 VanDerWaalsContact O-N 3.07Å; L338-F417 HydrophobicContact CD2-CD1 3.67Å; L338-F417 HydrophobicContact CD2-CE1 3.47Å; L338-F417 VanDerWaalsContact CD2-CE1 3.47Å; L338-F417 HydrophobicContact CD2-CE2 4.42Å; L338-F417 HydrophobicContact CD2-CG 4.27Å; L338-F417 HydrophobicContact CD2-CZ 3.87Å
339Y94.8Very high94.2Very high92 Ų9258.9 Ų58.936%0.36131%0.308SS..Hα-helixtrans-69.3-45.5172.3178.3-97.2000111.3F282 F283 I286 L335 C336 N341 D342 M344 F345F282-Y339 HydrophobicContact CE1-CE2 4.29Å; F283-Y339 HydrophobicContact CE1-CD1 4.49Å; F283-Y339 HydrophobicContact CE1-CD2 4.35Å; F283-Y339 AromaticContact CE1-CG 3.97Å; F283-Y339 HydrophobicContact CE1-CG 3.97Å; I286-Y339 HydrophobicContact CD1-CD2 3.9Å; I286-Y339 HydrophobicContact CD1-CE2 3.71Å; L335-Y339 WeakPolarHBondContact O-CB 3.44Å; L335-Y339 PolarHBondContact O-N 3.31Å; C336-Y339 WeakPolarHBondContact O-CB 3.3Å; C336-Y339 PolarHBondContact O-N 3.3Å; Y339-N341 PolarHBondContact O-N 2.87Å; Y339-D342 PolarHBondContact O-N 2.83Å; Y339-D342 VanDerWaalsContact O-N 3.15Å; Y339-M344 HydrophobicContact CD2-SD 4.24Å; Y339-F345 HydrophobicContact CD2-CE2 4.36Å; Y339-F345 AromaticContact CD2-CZ 3.98Å; Y339-F345 HydrophobicContact CD2-CZ 3.98Å; Y339-F345 HydrophobicContact CE2-CE2 4.35Å; Y339-F345 AromaticContact CE2-CZ 3.73Å; Y339-F345 HydrophobicContact CE2-CZ 3.73Å
340E94.3Very high94.5Very high142 Ų14255.8 Ų55.866%0.66429%0.291SS*.Hα-helixtrans-61.2-29.7178.3-73.3173.2-17000113.7C336C336-E340 WeakPolarHBondContact O-CG 3.38Å; C336-E340 PolarHBondContact O-N 2.86Å
341N93Very high94.8Very high111 Ų11155.3 Ų55.359%0.59429%0.29SS*.THydrogen-bonded Turntrans-99.915.2179.3-65.8-46.7000113.6A337 Y339 C343A337-N341 PolarHBondContact O-N 3.13Å; A337-N341 PolarHBondContact O-ND2 2.87Å; Y339-N341 PolarHBondContact O-N 2.87Å; N341-C343 PolarHBondContact O-N 3.02Å; N341-C343 PolarHBondContact O-SG 2.86Å
342D95.1Very high95Very high109 Ų10955.8 Ų55.858%0.58329%0.291SS*.THydrogen-bonded Turntrans573.6-177.8-64.2-44.2000116.2L338 Y339 M344 F345L338-D342 PolarHBondContact O-N 3.37Å; Y339-D342 PolarHBondContact O-N 2.83Å; Y339-D342 VanDerWaalsContact O-N 3.15Å; D342-M344 PolarHBondContact O-N 3.4Å; D342-F345 HydrophobicContact CB-CD2 4.12Å; D342-F345 PolarHBondContact O-N 3.36Å; D342-F345 VanDerWaalsContact O-N 3.08Å
343C95Very high95.2Very high14 Ų1449.5 Ų49.510%0.09527%0.268CS..G310 helixtrans-63.8-29.7-179.6-67.30000111.2Y307 L338 N341 F345 D346 Y364Y307-C343 WeakPolarHBondContact CE2-O 3.39Å; L338-C343 HydrophobicContact CB-CB 4.5Å; L338-C343 HydrophobicContact CD2-CB 3.89Å; L338-C343 PolarHBondContact O-N 3.42Å; N341-C343 PolarHBondContact O-N 3.02Å; N341-C343 PolarHBondContact O-SG 2.86Å; C343-F345 PolarHBondContact O-N 2.77Å; C343-F345 VanDerWaalsContact O-N 3.12Å; C343-D346 VanDerWaalsContact O-CB 3.29Å; C343-D346 WeakPolarHBondContact O-CB 3.24Å; C343-D346 PolarHBondContact O-N 3.32Å; C343-D346 VanDerWaalsContact O-N 3.07Å; C343-Y364 HydrophobicContact CB-CE1 4.36Å; C343-Y364 PolarHBondContact O-OH 3.27Å
344M93.6Very high95.3Very high5 Ų546.8 Ų46.83%0.02524%0.239CC..G310 helixtrans-59.9-20.8176.2-171.4173.9-100.500113.4F283 I286 I287 Y307 L335 L338 Y339 D342F283-M344 HydrophobicContact CB-CE 4.18Å; F283-M344 HydrophobicContact CD1-CE 3.86Å; F283-M344 HydrophobicContact CD1-SD 3.89Å; F283-M344 HydrophobicContact CG-CE 4.22Å; I286-M344 HydrophobicContact CB-SD 3.96Å; I286-M344 HydrophobicContact CD1-SD 4.35Å; I286-M344 HydrophobicContact CG2-CG 3.71Å; I286-M344 HydrophobicContact CG2-SD 3.51Å; I286-M344 VanDerWaalsContact CG2-SD 3.51Å; I287-M344 HydrophobicContact CG2-CE 3.4Å; I287-M344 VanDerWaalsContact CG2-CE 3.4Å; I287-M344 HydrophobicContact CG2-CG 4.3Å; I287-M344 HydrophobicContact CG2-SD 4.07Å; Y307-M344 WeakPolarHBondContact CD2-O 3.29Å; L335-M344 HydrophobicContact CB-CE 3.59Å; L335-M344 HydrophobicContact CD1-CE 4.39Å; L335-M344 HydrophobicContact CD2-CE 3.41Å; L335-M344 VanDerWaalsContact CD2-CE 3.41Å; L335-M344 HydrophobicContact CG-CE 3.92Å; L338-M344 HydrophobicContact CB-CB 4.46Å; L338-M344 PolarHBondContact O-N 2.88Å; L338-M344 VanDerWaalsContact O-N 3.07Å; Y339-M344 HydrophobicContact CD2-SD 4.24Å; D342-M344 PolarHBondContact O-N 3.4Å
345F94.9Very high95.5Very high103 Ų10347.5 Ų47.545%0.45225%0.249SC..G310 helixtrans-92.93.7178.8-53.8-66.9000113.9I286 Y339 D342 C343 K347I286-F345 HydrophobicContact CG2-CD1 4.26Å; I286-F345 HydrophobicContact CG2-CE1 3.77Å; Y339-F345 HydrophobicContact CD2-CE2 4.36Å; Y339-F345 AromaticContact CD2-CZ 3.98Å; Y339-F345 HydrophobicContact CD2-CZ 3.98Å; Y339-F345 HydrophobicContact CE2-CE2 4.35Å; Y339-F345 AromaticContact CE2-CZ 3.73Å; Y339-F345 HydrophobicContact CE2-CZ 3.73Å; D342-F345 HydrophobicContact CB-CD2 4.12Å; D342-F345 PolarHBondContact O-N 3.36Å; D342-F345 VanDerWaalsContact O-N 3.08Å; C343-F345 PolarHBondContact O-N 2.77Å; C343-F345 VanDerWaalsContact O-N 3.12Å; F345-K347 PolarHBondContact O-N 2.66Å
346D96.5Very high95.6Very high23 Ų2347.5 Ų47.512%0.12325%0.249CC..  trans-63.8126.4174.7-79.9-35.2000111.5C343 F348 Y364 K420 L422C343-D346 VanDerWaalsContact O-CB 3.29Å; C343-D346 WeakPolarHBondContact O-CB 3.24Å; C343-D346 PolarHBondContact O-N 3.32Å; C343-D346 VanDerWaalsContact O-N 3.07Å; D346-F348 HydrophobicContact CB-CD2 4.31Å; D346-F348 HydrophobicContact CB-CE2 3.69Å; D346-F348 HydrophobicContact CB-CZ 4.22Å; D346-F348 PolarHBondContact O-N 2.92Å; D346-Y364 WeakPolarHBondContact OD2-CE1 3.41Å; D346-Y364 PolarHBondContact OD2-OH 3.25Å; D346-K420 IonicContact OD1-NZ 3.34Å; D346-K420 PolarHBondContact OD1-NZ 3.06Å; D346-K420 VanDerWaalsContact OD2-CD 3.25Å; D346-K420 WeakPolarHBondContact OD2-CD 3.49Å; D346-K420 IonicContact OD2-NZ 2.78Å; D346-K420 PolarHBondContact OD2-NZ 3.23Å; D346-L422 HydrophobicContact CB-CD2 3.93Å
347K96.9Very high95.7Very high107 Ų10744.4 Ų44.447%0.46523%0.228SC..  trans-97.193-177.6-60.5-176.2-177.2-1770110.3F345F345-K347 PolarHBondContact O-N 2.66Å
348F98.1Very high95.9Very high1 Ų142.4 Ų42.40%0.00421%0.211CC..  trans-76.2135.9175.3-65.9-88.3000111.1S291 R305 Y307 H328 D346 G362 Y364 I421 L422S291-F348 WeakPolarHBondContact CB-O 3.31Å; S291-F348 PolarHBondContact OG-O 2.67Å; R305-F348 HydrophobicContact CG-CB 4.19Å; R305-F348 WeakPolarHBondContact CG-O 3.49Å; Y307-F348 HydrophobicContact CE2-CE2 4.37Å; H328-F348 AromaticContact CE1-CE2 3.69Å; H328-F348 AromaticContact CE1-CZ 3.76Å; D346-F348 HydrophobicContact CB-CD2 4.31Å; D346-F348 HydrophobicContact CB-CE2 3.69Å; D346-F348 HydrophobicContact CB-CZ 4.22Å; D346-F348 PolarHBondContact O-N 2.92Å; F348-G362 WeakPolarHBondContact CD1-O 3.43Å; F348-Y364 HydrophobicContact CE2-CE1 4.5Å; F348-Y364 HydrophobicContact CE2-CE2 4.06Å; F348-Y364 AromaticContact CE2-CZ 3.89Å; F348-Y364 HydrophobicContact CZ-CD1 4.26Å; F348-Y364 HydrophobicContact CZ-CD2 4.19Å; F348-Y364 AromaticContact CZ-CE1 3.9Å; F348-Y364 HydrophobicContact CZ-CE1 3.9Å; F348-Y364 AromaticContact CZ-CE2 3.82Å; F348-Y364 HydrophobicContact CZ-CE2 3.82Å; F348-Y364 HydrophobicContact CZ-CG 4.4Å; F348-Y364 AromaticContact CZ-CZ 3.67Å; F348-I421 VanDerWaalsContact CD1-O 3.25Å; F348-I421 WeakPolarHBondContact CD1-O 3.46Å; F348-I421 WeakPolarHBondContact CE1-O 3.26Å; F348-L422 HydrophobicContact CD1-CD2 3.88Å; F348-L422 HydrophobicContact CD2-CD2 4.42Å; F348-L422 HydrophobicContact CE1-CD2 3.74Å; F348-L422 HydrophobicContact CE2-CD2 4.3Å; F348-L422 HydrophobicContact CG-CD2 4.22Å; F348-L422 HydrophobicContact CZ-CD2 3.96Å
349E98.2Very high96.1Very high6 Ų642.2 Ų42.23%0.02821%0.21CC..  trans-89.9161.6175-65.7177.3-168.300112.3R97 Y351 T361 L422 H423R97-E349 IonicContact CZ-OE1 3.53Å; R97-E349 IonicContact NH1-OE1 3.11Å; R97-E349 PolarHBondContact NH1-OE1 3.46Å; R97-E349 IonicContact NH2-OE1 3.67Å; E349-Y351 HydrophobicContact CB-CE2 4.06Å; E349-T361 WeakPolarHBondContact O-CB 3.31Å; E349-T361 PolarHBondContact O-OG1 2.88Å; E349-L422 WeakPolarHBondContact CB-O 3.37Å; E349-L422 PolarHBondContact N-O 2.83Å; E349-L422 VanDerWaalsContact N-O 3.09Å; E349-H423 IonicContact OE1-CE1 3.04Å; E349-H423 IonicContact OE1-ND1 2.65Å; E349-H423 PolarHBondContact OE1-ND1 2.83Å; E349-H423 IonicContact OE2-ND1 3.06Å
350C98.4Very high96.2Very high0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-134.9148.2178.262.90000112.4D292 K294 L303 R305 L310 L360D292-C350 PolarHBondContact OD2-N 2.93Å; K294-C350 VanDerWaalsContact CG-O 3.25Å; K294-C350 WeakPolarHBondContact CG-O 3.46Å; L303-C350 HydrophobicContact CD2-CB 3.74Å; L303-C350 HydrophobicContact CG-CB 4.12Å; R305-C350 HydrophobicContact CB-CB 4Å; L310-C350 HydrophobicContact CD1-CB 3.55Å; C350-L360 CarbonylContact C-O 3.59Å; C350-L360 WeakPolarHBondContact CA-O 3.32Å
351Y98.3Very high96.4Very high23 Ų2331.1 Ų31.19%0.0916%0.161CC..EExtended strand (participates in β ladder)trans-142.8147.9-177.9-76.9-96.1000112.4K294 E349 L359 L360 C424 V425K294-Y351 PolarHBondContact NZ-OH 2.83Å; E349-Y351 HydrophobicContact CB-CE2 4.06Å; Y351-L359 CarbonylContact O-C 3.43Å; Y351-L360 PolarHBondContact N-O 3.28Å; Y351-L360 PolarHBondContact O-N 2.83Å; Y351-C424 WeakPolarHBondContact CD2-O 3.44Å; Y351-C424 WeakPolarHBondContact CE2-O 3.28Å; Y351-V425 HydrophobicContact CD1-CG1 4.47Å; Y351-V425 HydrophobicContact CE1-CB 4.37Å; Y351-V425 HydrophobicContact CE1-CG1 3.87Å; Y351-V425 HydrophobicContact CE2-CG1 4.02Å
352W98Very high96.6Very high10 Ų1025.8 Ų25.84%0.03813%0.133CC..EExtended strand (participates in β ladder)trans-84.2146.8168.3-63.596.3000110.2K294 F295 L301 L303 V312 D356 L359 W426K294-W352 PolarHBondContact O-NE1 3.07Å; K294-W352 VanDerWaalsContact O-NE1 3.08Å; F295-W352 VanDerWaalsContact O-CD1 3.32Å; F295-W352 PolarHBondContact O-NE1 2.78Å; L301-W352 HydrophobicContact CB-CH2 3.97Å; L301-W352 HydrophobicContact CB-CZ2 4.07Å; L301-W352 HydrophobicContact CD1-CH2 4.06Å; L303-W352 HydrophobicContact CB-CD2 4.4Å; L303-W352 VanDerWaalsContact CB-CE2 3.47Å; L303-W352 HydrophobicContact CB-CH2 4.47Å; L303-W352 HydrophobicContact CB-CZ2 3.53Å; L303-W352 VanDerWaalsContact CB-NE1 3.33Å; L303-W352 HydrophobicContact CD2-CD2 4.43Å; L303-W352 HydrophobicContact CD2-CG 4.48Å; V312-W352 HydrophobicContact CG1-CH2 3.74Å; V312-W352 HydrophobicContact CG1-CZ2 4.46Å; V312-W352 HydrophobicContact CG2-CH2 4.12Å; W352-D356 HydrophobicContact CE3-CB 3.98Å; W352-D356 HydrophobicContact CZ3-CB 4.32Å; W352-L359 HydrophobicContact CD2-CD2 4.03Å; W352-L359 HydrophobicContact CE3-CD2 3.4Å; W352-L359 HydrophobicContact CH2-CD2 4.18Å; W352-L359 HydrophobicContact CZ3-CD2 3.49Å; W352-L359 VanDerWaalsContact CZ3-CD2 3.49Å; W352-W426 WeakPolarHBondContact O-CB 3.27Å
353S96.8Very high96.8Very high0 Ų020.6 Ų20.60%011%0.105CC..  trans-66.1159.3157.463.20000110.5H297 D355 D356 S357 N358 W426H297-S353 PolarHBondContact CE1-O 2.96Å; H297-S353 PolarHBondContact ND1-O 3.19Å; S353-D355 PolarHBondContact O-N 3.38Å; S353-D355 PolarHBondContact OG-OD1 2.8Å; S353-D356 PolarHBondContact O-N 3.09Å; S353-S357 PolarHBondContact OG-N 3.29Å; S353-S357 VanDerWaalsContact OG-N 3.16Å; S353-N358 PolarHBondContact N-O 3.29Å; S353-N358 PolarHBondContact OG-N 3.19Å; S353-N358 PolarHBondContact OG-O 2.7Å; S353-W426 VanDerWaalsContact CB-CE2 3.49Å
354G93.3Very high96.8Very high25 Ų2520 Ų2026%0.25810%0.101SC..THydrogen-bonded Turntrans-54.9-28.8-178.100000115.8P428G354-P428 WeakPolarHBondContact CA-O 3.42Å
355D94.4Very high96.8Very high91 Ų9121.2 Ų21.249%0.48711%0.107SC..THydrogen-bonded Turntrans-98.811.4178.270.3-19.7000113.9S353 S357S353-D355 PolarHBondContact O-N 3.38Å; S353-D355 PolarHBondContact OG-OD1 2.8Å; D355-S357 PolarHBondContact O-N 3.17Å; D355-S357 WeakPolarHBondContact OD1-CB 3.24Å; D355-S357 PolarHBondContact OD1-N 3.31Å; D355-S357 VanDerWaalsContact OD1-N 3.15Å; D355-S357 PolarHBondContact OD1-OG 2.94Å; D355-S357 VanDerWaalsContact OD2-CB 3.29Å; D355-S357 WeakPolarHBondContact OD2-CB 3.42Å; D355-S357 PolarHBondContact OD2-OG 3.01Å
356D96.3Very high96.8Very high15 Ų1517.3 Ų17.38%0.089%0.091CC..SBendtrans56.713.7-175.5-61.8-29.9000114.8S296 H297 C298 W352 S353 R373S296-D356 WeakPolarHBondContact CB-OD2 3.39Å; H297-D356 WeakPolarHBondContact CB-OD1 3.28Å; H297-D356 IonicContact CE1-OD1 3.85Å; H297-D356 IonicContact CG-OD1 3.54Å; H297-D356 PolarHBondContact N-OD1 3.2Å; H297-D356 PolarHBondContact N-OD2 3.34Å; H297-D356 VanDerWaalsContact N-OD2 3.13Å; H297-D356 IonicContact ND1-OD1 3.58Å; H297-D356 PolarHBondContact ND1-OD1 3.19Å; C298-D356 PolarHBondContact N-OD2 2.86Å; C298-D356 VanDerWaalsContact N-OD2 3.11Å; C298-D356 PolarHBondContact SG-OD2 3.36Å; W352-D356 HydrophobicContact CE3-CB 3.98Å; W352-D356 HydrophobicContact CZ3-CB 4.32Å; S353-D356 PolarHBondContact O-N 3.09Å; D356-R373 VanDerWaalsContact O-CD 3.28Å; D356-R373 WeakPolarHBondContact O-CD 3.4Å; D356-R373 PolarHBondContact O-NH1 2.91Å
357S96Very high96.8Very high5 Ų516.4 Ų16.44%0.0359%0.086CC..SBendtrans-90.7-22.3-17377.90000114.5S353 D355 R373S353-S357 PolarHBondContact OG-N 3.29Å; S353-S357 VanDerWaalsContact OG-N 3.16Å; D355-S357 PolarHBondContact O-N 3.17Å; D355-S357 WeakPolarHBondContact OD1-CB 3.24Å; D355-S357 PolarHBondContact OD1-N 3.31Å; D355-S357 VanDerWaalsContact OD1-N 3.15Å; D355-S357 PolarHBondContact OD1-OG 2.94Å; D355-S357 VanDerWaalsContact OD2-CB 3.29Å; D355-S357 WeakPolarHBondContact OD2-CB 3.42Å; D355-S357 PolarHBondContact OD2-OG 3.01Å; S357-R373 PolarHBondContact O-N 2.86Å
358N97.2Very high96.7Very high5 Ų511.3 Ų11.33%0.0276%0.064CC..EExtended strand (participates in β ladder)trans-125155.3175.8-53.8-87.1000110.4S353 F371 N372 W426S353-N358 PolarHBondContact N-O 3.29Å; S353-N358 PolarHBondContact OG-N 3.19Å; S353-N358 PolarHBondContact OG-O 2.7Å; N358-F371 CarbonylContact C-O 3.56Å; N358-F371 WeakPolarHBondContact CA-O 3.31Å; N358-N372 WeakPolarHBondContact OD1-CB 3.47Å; N358-N372 PolarHBondContact OD1-ND2 2.99Å; N358-W426 HydrophobicContact CB-CH2 3.46Å; N358-W426 VanDerWaalsContact CB-CH2 3.46Å; N358-W426 HydrophobicContact CB-CZ2 4.34Å; N358-W426 HydrophobicContact CB-CZ3 3.75Å
359L98.2Very high96.7Very high0 Ų012.1 Ų12.10%07%0.067CC..EExtended strand (participates in β ladder)trans-117.8148.2177.9-51.7175.3000109L303 L310 V312 Y325 Y351 W352 T370 F371 R373L303-L359 HydrophobicContact CD1-CD1 4Å; L303-L359 HydrophobicContact CD1-CD2 3.86Å; L303-L359 HydrophobicContact CD1-CG 4.44Å; L303-L359 HydrophobicContact CD2-CD2 4.03Å; L310-L359 HydrophobicContact CD2-CB 3.58Å; L310-L359 HydrophobicContact CD2-CD1 3.52Å; L310-L359 HydrophobicContact CD2-CG 4.11Å; V312-L359 HydrophobicContact CG2-CD1 3.78Å; Y325-L359 HydrophobicContact CD2-CD1 3.7Å; Y325-L359 HydrophobicContact CE2-CD1 3.38Å; Y351-L359 CarbonylContact O-C 3.43Å; W352-L359 HydrophobicContact CD2-CD2 4.03Å; W352-L359 HydrophobicContact CE3-CD2 3.4Å; W352-L359 HydrophobicContact CH2-CD2 4.18Å; W352-L359 HydrophobicContact CZ3-CD2 3.49Å; W352-L359 VanDerWaalsContact CZ3-CD2 3.49Å; L359-T370 CarbonylContact O-C 3.5Å; L359-T370 WeakPolarHBondContact O-CA 3.5Å; L359-F371 HydrophobicContact CB-CB 4.34Å; L359-F371 PolarHBondContact N-O 3.44Å; L359-F371 PolarHBondContact O-N 3.49Å; L359-R373 HydrophobicContact CD1-CG 3.97Å; L359-R373 HydrophobicContact CD2-CG 4.31Å; L359-R373 HydrophobicContact CG-CG 3.88Å
360L98.3Very high96.6Very high0 Ų011.9 Ų11.90%07%0.066CC..EExtended strand (participates in β ladder)trans-130.3139.6177.8168.366.9000109.9C350 Y351 F368 R369 T370 C424 W426 I433C350-L360 CarbonylContact C-O 3.59Å; C350-L360 WeakPolarHBondContact CA-O 3.32Å; Y351-L360 PolarHBondContact N-O 3.28Å; Y351-L360 PolarHBondContact O-N 2.83Å; L360-F368 HydrophobicContact CD1-CB 4.31Å; L360-F368 HydrophobicContact CD1-CD2 3.86Å; L360-R369 WeakPolarHBondContact CA-O 3.4Å; L360-T370 HydrophobicContact CD1-CG2 3.92Å; L360-C424 HydrophobicContact CD2-CB 4.15Å; L360-C424 HydrophobicContact CG-CB 4.46Å; L360-W426 HydrophobicContact CB-CE3 3.63Å; L360-W426 HydrophobicContact CB-CZ3 4Å; L360-W426 HydrophobicContact CD2-CB 4.39Å; L360-W426 HydrophobicContact CD2-CE3 4.29Å; L360-I433 HydrophobicContact CD1-CD1 3.99Å; L360-I433 HydrophobicContact CD1-CG2 4.25Å; L360-I433 HydrophobicContact CD2-CB 4.42Å; L360-I433 HydrophobicContact CD2-CD1 3.97Å; L360-I433 HydrophobicContact CD2-CG1 4.05Å; L360-I433 HydrophobicContact CD2-CG2 3.61Å; L360-I433 HydrophobicContact CG-CD1 4.42Å
361T98.6Very high96.6Very high0 Ų012 Ų120%07%0.067CC..EExtended strand (participates in β ladder)trans-155.8162.1167.8-168.40000110.8R305 L310 V327 E349 F368 R369 F371R305-T361 PolarHBondContact NH1-OG1 2.77Å; L310-T361 HydrophobicContact CD1-CG2 3.97Å; V327-T361 HydrophobicContact CG1-CG2 3.89Å; V327-T361 HydrophobicContact CG2-CG2 3.89Å; E349-T361 WeakPolarHBondContact O-CB 3.31Å; E349-T361 PolarHBondContact O-OG1 2.88Å; T361-F368 CarbonylContact O-C 3.58Å; T361-F368 WeakPolarHBondContact O-CA 3.49Å; T361-R369 HydrophobicContact CG2-CB 4.48Å; T361-R369 PolarHBondContact N-O 3.3Å; T361-R369 PolarHBondContact O-N 3.37Å; T361-F371 HydrophobicContact CG2-CE2 4.34Å
362G97.7Very high96.5Very high0 Ų011 Ų110%06%0.062CC..EExtended strand (participates in β ladder)trans-90.5169.3177.100000114R305 F348 I421R305-G362 PolarHBondContact NH1-O 3.15Å; F348-G362 WeakPolarHBondContact CD1-O 3.43Å; G362-I421 VanDerWaalsContact CA-O 3.23Å; G362-I421 WeakPolarHBondContact CA-O 3.32Å
363A97.4Very high96.4Very high0 Ų013.1 Ų13.10%07%0.071CC..  trans-151.9178.9178.800000111.7H328 F367 I421H328-A363 VanDerWaalsContact NE2-CA 3.33Å; H328-A363 WeakPolarHBondContact NE2-CA 3.47Å; H328-A363 WeakPolarHBondContact NE2-CB 2.97Å; A363-F367 CarbonylContact C-O 3.52Å; A363-F367 HydrophobicContact CB-CB 4.01Å; A363-F367 PolarHBondContact N-O 2.68Å; A363-I421 PolarHBondContact O-N 2.91Å
364Y96Very high96.3Very high0 Ų020.8 Ų20.80%010%0.104CC..BIsolated β-bridgetrans-72.2170.7173.4-62.7-73.6000112.8Y307 L331 C343 D346 F348 N366 F367 F417 H419 K420Y307-Y364 HydrophobicContact CE2-CE2 4.45Å; Y307-Y364 WeakPolarHBondContact CE2-OH 3.35Å; Y307-Y364 WeakPolarHBondContact OH-CE2 3.43Å; Y307-Y364 PolarHBondContact OH-OH 3.14Å; L331-Y364 HydrophobicContact CD1-CD2 3.75Å; L331-Y364 HydrophobicContact CD1-CE2 3.77Å; C343-Y364 HydrophobicContact CB-CE1 4.36Å; C343-Y364 PolarHBondContact O-OH 3.27Å; D346-Y364 WeakPolarHBondContact OD2-CE1 3.41Å; D346-Y364 PolarHBondContact OD2-OH 3.25Å; F348-Y364 HydrophobicContact CE2-CE1 4.5Å; F348-Y364 HydrophobicContact CE2-CE2 4.06Å; F348-Y364 AromaticContact CE2-CZ 3.89Å; F348-Y364 HydrophobicContact CZ-CD1 4.26Å; F348-Y364 HydrophobicContact CZ-CD2 4.19Å; F348-Y364 AromaticContact CZ-CE1 3.9Å; F348-Y364 HydrophobicContact CZ-CE1 3.9Å; F348-Y364 AromaticContact CZ-CE2 3.82Å; F348-Y364 HydrophobicContact CZ-CE2 3.82Å; F348-Y364 HydrophobicContact CZ-CG 4.4Å; F348-Y364 AromaticContact CZ-CZ 3.67Å; Y364-N366 PolarHBondContact O-N 2.84Å; Y364-F367 VanDerWaalsContact O-CB 3.24Å; Y364-F367 WeakPolarHBondContact O-CB 3.38Å; Y364-F367 WeakPolarHBondContact O-CD2 3.29Å; Y364-F367 WeakPolarHBondContact O-CG 3.45Å; Y364-F367 PolarHBondContact O-N 3.25Å; Y364-F417 HydrophobicContact CD1-CB 4.12Å; Y364-F417 AromaticContact CD1-CD1 3.67Å; Y364-F417 HydrophobicContact CD1-CD1 3.67Å; Y364-F417 HydrophobicContact CD1-CG 4.38Å; Y364-F417 AromaticContact CD2-CD1 3.89Å; Y364-F417 HydrophobicContact CD2-CD1 3.89Å; Y364-F417 HydrophobicContact CD2-CE1 4.09Å; Y364-F417 HydrophobicContact CE1-CB 4.36Å; Y364-F417 AromaticContact CE1-CD1 3.96Å; Y364-F417 HydrophobicContact CE1-CD1 3.96Å; Y364-F417 HydrophobicContact CE2-CD1 4.17Å; Y364-F417 HydrophobicContact CE2-CE1 4.45Å; Y364-F417 AromaticContact CG-CD1 3.62Å; Y364-F417 HydrophobicContact CG-CD1 3.62Å; Y364-F417 HydrophobicContact CG-CE1 4.17Å; Y364-H419 CarbonylContact C-O 3.55Å; Y364-H419 WeakPolarHBondContact CA-O 3.47Å; Y364-K420 HydrophobicContact CD1-CB 4.05Å; Y364-K420 HydrophobicContact CE1-CB 4.45Å; Y364-K420 HydrophobicContact CE1-CD 4.37Å
365N94.1Very high96.3Very high31 Ų3123.6 Ų23.617%0.16612%0.116CC..THydrogen-bonded Turntrans57.335.5-176.3-157.969.1000113.5F367 L415 D416 H419N365-F367 HydrophobicContact CB-CD1 4.48Å; N365-F367 HydrophobicContact CB-CD2 4.23Å; N365-F367 HydrophobicContact CB-CE1 4.35Å; N365-F367 HydrophobicContact CB-CE2 4.09Å; N365-F367 HydrophobicContact CB-CG 4.43Å; N365-F367 HydrophobicContact CB-CZ 4.16Å; N365-F367 WeakPolarHBondContact ND2-CE1 3.29Å; N365-F367 WeakPolarHBondContact ND2-CZ 3.38Å; N365-F367 VanDerWaalsContact O-CD1 3.22Å; N365-F367 WeakPolarHBondContact O-CD1 3.35Å; N365-F367 WeakPolarHBondContact O-CE1 3.42Å; N365-F367 PolarHBondContact O-N 2.96Å; N365-F367 VanDerWaalsContact O-N 3.13Å; N365-L415 HydrophobicContact CB-CD2 3.67Å; N365-D416 PolarHBondContact N-O 3Å; N365-D416 PolarHBondContact OD1-N 2.92Å; N365-H419 WeakPolarHBondContact CA-O 3.44Å; N365-H419 PolarHBondContact N-O 2.85Å
366N94.4Very high96.2Very high21 Ų2121.7 Ų21.711%0.11212%0.118CC..THydrogen-bonded Turntrans54.125.7-172-62.2-30.9000113.9Y364 A383 H419 K420 I421 A437Y364-N366 PolarHBondContact O-N 2.84Å; N366-A383 WeakPolarHBondContact CB-O 3.14Å; N366-A383 PolarHBondContact O-N 2.65Å; N366-H419 PolarHBondContact N-O 3.28Å; N366-H419 WeakPolarHBondContact OD1-CB 3.43Å; N366-K420 PolarHBondContact OD1-N 2.87Å; N366-I421 HydrophobicContact CB-CD1 4.23Å; N366-A437 HydrophobicContact CB-CB 4.45Å
367F95.7Very high96Very high4 Ų422.7 Ų22.72%0.01813%0.128CC..EExtended strand (participates in β ladder)trans-82.3151.6176.6-63-20000111.8A363 Y364 N365 T380 L381 E382 K397 F410 L415 I421A363-F367 CarbonylContact C-O 3.52Å; A363-F367 HydrophobicContact CB-CB 4.01Å; A363-F367 PolarHBondContact N-O 2.68Å; Y364-F367 VanDerWaalsContact O-CB 3.24Å; Y364-F367 WeakPolarHBondContact O-CB 3.38Å; Y364-F367 WeakPolarHBondContact O-CD2 3.29Å; Y364-F367 WeakPolarHBondContact O-CG 3.45Å; Y364-F367 PolarHBondContact O-N 3.25Å; N365-F367 HydrophobicContact CB-CD1 4.48Å; N365-F367 HydrophobicContact CB-CD2 4.23Å; N365-F367 HydrophobicContact CB-CE1 4.35Å; N365-F367 HydrophobicContact CB-CE2 4.09Å; N365-F367 HydrophobicContact CB-CG 4.43Å; N365-F367 HydrophobicContact CB-CZ 4.16Å; N365-F367 WeakPolarHBondContact ND2-CE1 3.29Å; N365-F367 WeakPolarHBondContact ND2-CZ 3.38Å; N365-F367 VanDerWaalsContact O-CD1 3.22Å; N365-F367 WeakPolarHBondContact O-CD1 3.35Å; N365-F367 WeakPolarHBondContact O-CE1 3.42Å; N365-F367 PolarHBondContact O-N 2.96Å; N365-F367 VanDerWaalsContact O-N 3.13Å; F367-T380 HydrophobicContact CB-CG2 3.94Å; F367-T380 HydrophobicContact CD2-CG2 3.87Å; F367-T380 HydrophobicContact CG-CG2 3.94Å; F367-L381 CarbonylContact C-O 3.54Å; F367-L381 WeakPolarHBondContact CA-O 3.28Å; F367-E382 HydrophobicContact CD1-CB 3.76Å; F367-E382 HydrophobicContact CD1-CG 3.91Å; F367-E382 HydrophobicContact CE1-CB 3.76Å; F367-E382 HydrophobicContact CE1-CG 3.77Å; F367-K397 HydrophobicContact CE1-CG 4.05Å; F367-K397 HydrophobicContact CZ-CB 4.36Å; F367-K397 HydrophobicContact CZ-CG 4.16Å; F367-F410 HydrophobicContact CD2-CE1 4.45Å; F367-F410 HydrophobicContact CD2-CZ 4.38Å; F367-F410 HydrophobicContact CE2-CB 4.37Å; F367-F410 AromaticContact CE2-CD1 3.78Å; F367-F410 HydrophobicContact CE2-CD1 3.78Å; F367-F410 AromaticContact CE2-CD2 3.98Å; F367-F410 HydrophobicContact CE2-CD2 3.98Å; F367-F410 AromaticContact CE2-CE1 3.94Å; F367-F410 HydrophobicContact CE2-CE1 3.94Å; F367-F410 HydrophobicContact CE2-CE2 4.14Å; F367-F410 AromaticContact CE2-CG 3.78Å; F367-F410 HydrophobicContact CE2-CG 3.78Å; F367-F410 HydrophobicContact CE2-CZ 4.11Å; F367-F410 HydrophobicContact CZ-CB 4.5Å; F367-F410 HydrophobicContact CZ-CD1 4.25Å; F367-F410 HydrophobicContact CZ-CG 4.31Å; F367-L415 HydrophobicContact CD2-CD2 4.48Å; F367-L415 HydrophobicContact CE2-CD2 4.01Å; F367-I421 WeakPolarHBondContact O-CB 3.43Å; F367-I421 VanDerWaalsContact O-CG1 3.26Å; F367-I421 WeakPolarHBondContact O-CG1 3.46Å
368F96.2Very high95.9Very high1 Ų128.1 Ų28.10%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-132.5147.6163.362.8-81.6000108.5L360 T361 L381 A383 L394 F444L360-F368 HydrophobicContact CD1-CB 4.31Å; L360-F368 HydrophobicContact CD1-CD2 3.86Å; T361-F368 CarbonylContact O-C 3.58Å; T361-F368 WeakPolarHBondContact O-CA 3.49Å; F368-L381 HydrophobicContact CD1-CB 4.21Å; F368-L381 HydrophobicContact CD2-CB 4.35Å; F368-L381 HydrophobicContact CE1-CB 3.62Å; F368-L381 HydrophobicContact CE2-CB 3.81Å; F368-L381 HydrophobicContact CE2-CD1 3.69Å; F368-L381 HydrophobicContact CE2-CG 4.3Å; F368-L381 HydrophobicContact CZ-CB 3.41Å; F368-L381 VanDerWaalsContact CZ-CB 3.41Å; F368-L381 HydrophobicContact CZ-CD1 3.73Å; F368-L381 HydrophobicContact CZ-CG 4.21Å; F368-L381 PolarHBondContact N-O 2.76Å; F368-L381 PolarHBondContact O-N 2.78Å; F368-A383 HydrophobicContact CD1-CB 4.42Å; F368-A383 HydrophobicContact CE1-CB 4.42Å; F368-L394 HydrophobicContact CZ-CD1 4.37Å; F368-F444 HydrophobicContact CD1-CE2 4.33Å; F368-F444 HydrophobicContact CD1-CZ 4.46Å; F368-F444 HydrophobicContact CE1-CD2 4.13Å; F368-F444 AromaticContact CE1-CE1 3.99Å; F368-F444 HydrophobicContact CE1-CE1 3.99Å; F368-F444 AromaticContact CE1-CE2 3.56Å; F368-F444 HydrophobicContact CE1-CE2 3.56Å; F368-F444 AromaticContact CE1-CZ 3.49Å; F368-F444 HydrophobicContact CE1-CZ 3.49Å; F368-F444 VanDerWaalsContact CE1-CZ 3.49Å; F368-F444 HydrophobicContact CE2-CD2 4.48Å; F368-F444 HydrophobicContact CZ-CD1 4.1Å; F368-F444 AromaticContact CZ-CD2 3.81Å; F368-F444 HydrophobicContact CZ-CD2 3.81Å; F368-F444 HydrophobicContact CZ-CE1 4.03Å; F368-F444 AromaticContact CZ-CE2 3.74Å; F368-F444 HydrophobicContact CZ-CE2 3.74Å; F368-F444 AromaticContact CZ-CG 3.98Å; F368-F444 HydrophobicContact CZ-CG 3.98Å; F368-F444 AromaticContact CZ-CZ 3.86Å; F368-F444 HydrophobicContact CZ-CZ 3.86Å
369R96.8Very high95.7Very high18 Ų1829.2 Ų29.27%0.06816%0.159CC..EExtended strand (participates in β ladder)trans-118141.9-176.6-57.8-165.875.8-167-12.4110.3D326 V327 L360 T361 F371 E378 L379 T380D326-R369 PolarHBondContact O-NH1 3Å; V327-R369 HydrophobicContact CG1-CG 4.39Å; V327-R369 PolarHBondContact O-NH1 2.85Å; L360-R369 WeakPolarHBondContact CA-O 3.4Å; T361-R369 HydrophobicContact CG2-CB 4.48Å; T361-R369 PolarHBondContact N-O 3.3Å; T361-R369 PolarHBondContact O-N 3.37Å; R369-F371 HydrophobicContact CB-CE2 3.8Å; R369-F371 HydrophobicContact CB-CZ 4Å; R369-E378 IonicContact CZ-OE2 2.72Å; R369-E378 IonicContact NH2-OE2 3.48Å; R369-E378 PolarHBondContact NH2-OE2 2.77Å; R369-L379 CarbonylContact C-O 3.58Å; R369-L379 VanDerWaalsContact CA-O 3.25Å; R369-L379 WeakPolarHBondContact CA-O 2.93Å; R369-T380 HydrophobicContact CG-CG2 4.13Å; R369-T380 PolarHBondContact NE-OG1 3.04Å
370T96.8Very high95.5Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-125.8140.9173.553.90000110.3H9 F12 L359 L360 E378 L379 W426 I433H9-T370 PolarHBondContact CE1-OG1 2.99Å; H9-T370 VanDerWaalsContact CE1-OG1 3.23Å; F12-T370 HydrophobicContact CE2-CG2 4.25Å; L359-T370 CarbonylContact O-C 3.5Å; L359-T370 WeakPolarHBondContact O-CA 3.5Å; L360-T370 HydrophobicContact CD1-CG2 3.92Å; T370-E378 WeakPolarHBondContact O-CA 3.22Å; T370-L379 PolarHBondContact N-O 3.09Å; T370-L379 PolarHBondContact O-N 3.12Å; T370-W426 HydrophobicContact CG2-CZ3 4.21Å; T370-I433 HydrophobicContact CG2-CD1 4Å
371F97.3Very high95.3Very high4 Ų429.8 Ų29.82%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-129.6127.1-178.8-56.5-89.1000109.8L310 Y325 V327 N358 L359 T361 R369 A377 E378L310-F371 HydrophobicContact CD2-CD2 4.29Å; Y325-F371 HydrophobicContact CD1-CB 3.81Å; Y325-F371 AromaticContact CD1-CD1 3.6Å; Y325-F371 HydrophobicContact CD1-CD1 3.6Å; Y325-F371 HydrophobicContact CD1-CE1 4.37Å; Y325-F371 AromaticContact CD1-CG 3.83Å; Y325-F371 HydrophobicContact CD1-CG 3.83Å; Y325-F371 HydrophobicContact CE1-CB 4Å; Y325-F371 HydrophobicContact CE1-CD1 4.48Å; Y325-F371 HydrophobicContact CG-CB 4.22Å; Y325-F371 HydrophobicContact CG-CD1 4.03Å; Y325-F371 HydrophobicContact CG-CG 4.02Å; V327-F371 HydrophobicContact CG2-CE2 4.17Å; V327-F371 HydrophobicContact CG2-CZ 4.19Å; N358-F371 CarbonylContact C-O 3.56Å; N358-F371 WeakPolarHBondContact CA-O 3.31Å; L359-F371 HydrophobicContact CB-CB 4.34Å; L359-F371 PolarHBondContact N-O 3.44Å; L359-F371 PolarHBondContact O-N 3.49Å; T361-F371 HydrophobicContact CG2-CE2 4.34Å; R369-F371 HydrophobicContact CB-CE2 3.8Å; R369-F371 HydrophobicContact CB-CZ 4Å; F371-A377 WeakPolarHBondContact CA-O 3.13Å; F371-E378 HydrophobicContact CD1-CB 3.85Å; F371-E378 HydrophobicContact CE1-CB 3.98Å
372N96.8Very high95Very high0 Ų031.9 Ų31.90%017%0.172CC..EExtended strand (participates in β ladder)trans-88.5123.7170.9-173.7-75000110.4H9 N358 K374 T375 G376 A377H9-N372 VanDerWaalsContact CD2-CB 3.44Å; H9-N372 WeakPolarHBondContact CD2-CB 3.43Å; N358-N372 WeakPolarHBondContact OD1-CB 3.47Å; N358-N372 PolarHBondContact OD1-ND2 2.99Å; N372-K374 VanDerWaalsContact C-N 3.35Å; N372-K374 PolarHBondContact O-N 2.88Å; N372-K374 PolarHBondContact OD1-N 2.79Å; N372-T375 WeakPolarHBondContact CB-OG1 3.42Å; N372-T375 PolarHBondContact OD1-N 2.74Å; N372-T375 PolarHBondContact OD1-OG1 2.77Å; N372-G376 VanDerWaalsContact O-CA 3.31Å; N372-G376 WeakPolarHBondContact O-CA 3.07Å; N372-G376 PolarHBondContact O-N 2.85Å; N372-A377 HydrophobicContact CB-CB 4.42Å; N372-A377 PolarHBondContact N-O 2.84Å
373R96.2Very high94.7Very high56 Ų5631.9 Ų31.921%0.21117%0.172CC..THydrogen-bonded Turntrans-70.3-31.5-173.3-64.217660.4-146.4-3.9114L301 E323 Y325 D356 S357 L359L301-R373 VanDerWaalsContact CD1-NH2 3.25Å; E323-R373 IonicContact OE1-CZ 2.93Å; E323-R373 IonicContact OE1-NE 3.42Å; E323-R373 PolarHBondContact OE1-NE 3.42Å; E323-R373 IonicContact OE1-NH2 3.3Å; E323-R373 PolarHBondContact OE1-NH2 2.83Å; E323-R373 WeakPolarHBondContact OE2-CG 3.12Å; E323-R373 IonicContact OE2-CZ 3.42Å; E323-R373 IonicContact OE2-NE 3.73Å; E323-R373 PolarHBondContact OE2-NE 3.19Å; E323-R373 IonicContact OE2-NH2 2.79Å; Y325-R373 WeakPolarHBondContact OH-CA 3.32Å; D356-R373 VanDerWaalsContact O-CD 3.28Å; D356-R373 WeakPolarHBondContact O-CD 3.4Å; D356-R373 PolarHBondContact O-NH1 2.91Å; S357-R373 PolarHBondContact O-N 2.86Å; L359-R373 HydrophobicContact CD1-CG 3.97Å; L359-R373 HydrophobicContact CD2-CG 4.31Å; L359-R373 HydrophobicContact CG-CG 3.88Å
374K93.9Very high94.1Very high160 Ų16032.6 Ų32.670%0.69618%0.177SC*.THydrogen-bonded Turntrans-83.8-40.2-176.2-66.1179.8-178.2169.70112.3N372N372-K374 VanDerWaalsContact C-N 3.35Å; N372-K374 PolarHBondContact O-N 2.88Å; N372-K374 PolarHBondContact OD1-N 2.79Å
375T94.4Very high93.2Very high84 Ų8434.5 Ų34.552%0.51519%0.19SC..THydrogen-bonded Turntrans-96.7-16.7-17565.30000113.1N372 A377N372-T375 WeakPolarHBondContact CB-OG1 3.42Å; N372-T375 PolarHBondContact OD1-N 2.74Å; N372-T375 PolarHBondContact OD1-OG1 2.77Å; T375-A377 PolarHBondContact O-N 2.97Å; T375-A377 WeakPolarHBondContact OG1-CB 3.42Å; T375-A377 PolarHBondContact OG1-N 2.98Å
376G91.1Very high92.3Very high51 Ų5140.1 Ų40.153%0.52622%0.215SC..  trans708.1-171.400000113.5N372 E378N372-G376 VanDerWaalsContact O-CA 3.31Å; N372-G376 WeakPolarHBondContact O-CA 3.07Å; N372-G376 PolarHBondContact O-N 2.85Å; G376-E378 PolarHBondContact O-N 2.83Å
377A93.4Very high91Very high36 Ų3640.9 Ų40.930%0.29822%0.221SC..  trans-67.3133.2178.200000110.4F371 N372 T375F371-A377 WeakPolarHBondContact CA-O 3.13Å; N372-A377 HydrophobicContact CB-CB 4.42Å; N372-A377 PolarHBondContact N-O 2.84Å; T375-A377 PolarHBondContact O-N 2.97Å; T375-A377 WeakPolarHBondContact OG1-CB 3.42Å; T375-A377 PolarHBondContact OG1-N 2.98Å
378E94Very high89.7Confident120 Ų12041 Ų4156%0.56122%0.223SC*.EExtended strand (participates in β ladder)trans-116.4142.1177.755.6170.7-162.200110.4R369 T370 F371 G376R369-E378 IonicContact CZ-OE2 2.72Å; R369-E378 IonicContact NH2-OE2 3.48Å; R369-E378 PolarHBondContact NH2-OE2 2.77Å; T370-E378 WeakPolarHBondContact O-CA 3.22Å; F371-E378 HydrophobicContact CD1-CB 3.85Å; F371-E378 HydrophobicContact CE1-CB 3.98Å; G376-E378 PolarHBondContact O-N 2.83Å
379L93.3Very high88Confident28 Ų2848.4 Ų48.415%0.14726%0.257CS..EExtended strand (participates in β ladder)trans-133.2136171.1-80.393.2000109.8H9 R369 T370 P396H9-L379 VanDerWaalsContact CE1-CD1 3.43Å; H9-L379 WeakPolarHBondContact CE1-CD1 3.39Å; H9-L379 WeakPolarHBondContact ND1-CD1 3.26Å; R369-L379 CarbonylContact C-O 3.58Å; R369-L379 VanDerWaalsContact CA-O 3.25Å; R369-L379 WeakPolarHBondContact CA-O 2.93Å; T370-L379 PolarHBondContact N-O 3.09Å; T370-L379 PolarHBondContact O-N 3.12Å; L379-P396 HydrophobicContact CD2-CG 4.1Å
380T94.4Very high86.2Confident8 Ų852.6 Ų52.65%0.04928%0.278CS..EExtended strand (participates in β ladder)trans-113.3125.8168.2-55.30000107.8F367 R369 P396 K397 F410F367-T380 HydrophobicContact CB-CG2 3.94Å; F367-T380 HydrophobicContact CD2-CG2 3.87Å; F367-T380 HydrophobicContact CG-CG2 3.94Å; R369-T380 HydrophobicContact CG-CG2 4.13Å; R369-T380 PolarHBondContact NE-OG1 3.04Å; T380-P396 CarbonylContact O-C 3.46Å; T380-P396 WeakPolarHBondContact O-CA 3.42Å; T380-K397 WeakPolarHBondContact CB-O 3.44Å; T380-K397 HydrophobicContact CG2-CB 4.24Å; T380-K397 PolarHBondContact O-N 3.36Å; T380-F410 HydrophobicContact CG2-CE1 4.27Å
381L92.9Very high84.4Confident4 Ų458.6 Ų58.62%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-127.7157.5-176.4-61.6174.4000109.6F12 F367 F368 L394F12-L381 HydrophobicContact CB-CD1 4.19Å; F12-L381 HydrophobicContact CD2-CD1 3.79Å; F12-L381 HydrophobicContact CG-CD1 4.42Å; F367-L381 CarbonylContact C-O 3.54Å; F367-L381 WeakPolarHBondContact CA-O 3.28Å; F368-L381 HydrophobicContact CD1-CB 4.21Å; F368-L381 HydrophobicContact CD2-CB 4.35Å; F368-L381 HydrophobicContact CE1-CB 3.62Å; F368-L381 HydrophobicContact CE2-CB 3.81Å; F368-L381 HydrophobicContact CE2-CD1 3.69Å; F368-L381 HydrophobicContact CE2-CG 4.3Å; F368-L381 HydrophobicContact CZ-CB 3.41Å; F368-L381 VanDerWaalsContact CZ-CB 3.41Å; F368-L381 HydrophobicContact CZ-CD1 3.73Å; F368-L381 HydrophobicContact CZ-CG 4.21Å; F368-L381 PolarHBondContact N-O 2.76Å; F368-L381 PolarHBondContact O-N 2.78Å; L381-L394 HydrophobicContact CB-CD1 4.28Å; L381-L394 HydrophobicContact CD1-CD1 4.08Å; L381-L394 HydrophobicContact CD2-CB 3.83Å; L381-L394 HydrophobicContact CD2-CD1 4.4Å; L381-L394 HydrophobicContact CG-CD1 4.49Å
382E92.2Very high82.7Confident44 Ų4466.1 Ų66.121%0.20633%0.329CS..EExtended strand (participates in β ladder)trans-114128.1-175.3-175.2-179.5178.700111.3F367 S384 K397F367-E382 HydrophobicContact CD1-CB 3.76Å; F367-E382 HydrophobicContact CD1-CG 3.91Å; F367-E382 HydrophobicContact CE1-CB 3.76Å; F367-E382 HydrophobicContact CE1-CG 3.77Å; E382-S384 PolarHBondContact O-N 3.11Å; E382-K397 WeakPolarHBondContact OE2-CE 3.47Å; E382-K397 IonicContact OE2-NZ 3.85Å
383A91.1Very high81.3Confident0 Ų070.9 Ų70.90%035%0.354CS..  trans-92.385.3173.300000110.3N366 F368 I421 F442 F444N366-A383 WeakPolarHBondContact CB-O 3.14Å; N366-A383 PolarHBondContact O-N 2.65Å; F368-A383 HydrophobicContact CD1-CB 4.42Å; F368-A383 HydrophobicContact CE1-CB 4.42Å; A383-I421 HydrophobicContact CB-CD1 4.03Å; A383-F442 HydrophobicContact CB-CB 4.43Å; A383-F442 HydrophobicContact CB-CD2 3.75Å; A383-F442 HydrophobicContact CB-CE2 4.16Å; A383-F442 HydrophobicContact CB-CG 4.08Å; A383-F444 HydrophobicContact CB-CE2 4.32Å; A383-F444 HydrophobicContact CB-CZ 3.79Å
384S85.3Confident80.3Confident15 Ų1568.8 Ų68.811%0.10535%0.347CS..  trans-122.8139.1179.9167.60000112.1E382 E386 V387 A388E382-S384 PolarHBondContact O-N 3.11Å; S384-E386 PolarHBondContact O-N 3.46Å; S384-E386 PolarHBondContact OG-N 2.8Å; S384-V387 PolarHBondContact O-N 3.14Å; S384-A388 PolarHBondContact O-N 3.24Å
385S77.9Confident79.7Confident40 Ų4063.5 Ų63.528%0.2833%0.33SS..Hα-helixtrans-59.9-35.2176-44.40000112.2H17 V387 A388 Q389H17-S385 PolarHBondContact CE1-OG 3.14Å; S385-V387 VanDerWaalsContact C-N 3.31Å; S385-V387 PolarHBondContact O-N 3.32Å; S385-A388 WeakPolarHBondContact O-CB 3.42Å; S385-A388 PolarHBondContact O-N 2.95Å; S385-Q389 WeakPolarHBondContact O-CG 3.49Å; S385-Q389 PolarHBondContact O-N 3.25Å; S385-Q389 VanDerWaalsContact O-N 3.14Å
386E74Confident79.4Confident148 Ų14862.9 Ų62.969%0.69233%0.328SS*.Hα-helixtrans-66.1-38.2179-63.5170.4173.400111.1S384S384-E386 PolarHBondContact O-N 3.46Å; S384-E386 PolarHBondContact OG-N 2.8Å
387V68.4Low79.4Confident38 Ų3862.4 Ų62.423%0.2331%0.311CS..Hα-helixtrans-73-35.9175.9-171.50000110.1I15 S384 S385 Q389 Q390 L394I15-V387 HydrophobicContact CD1-CB 4.18Å; I15-V387 HydrophobicContact CD1-CG1 3.9Å; S384-V387 PolarHBondContact O-N 3.14Å; S385-V387 VanDerWaalsContact C-N 3.31Å; S385-V387 PolarHBondContact O-N 3.32Å; V387-Q389 PolarHBondContact O-N 3.47Å; V387-Q390 PolarHBondContact O-N 3.13Å; V387-L394 HydrophobicContact CG1-CD2 3.47Å; V387-L394 VanDerWaalsContact CG1-CD2 3.47Å
388A67.7Low79.1Confident6 Ų669.6 Ų69.65%0.0533%0.331CS..Hα-helixtrans-61.4-43179.900000113.6I15 H17 S384 S385 Q390 Y391 F442I15-A388 HydrophobicContact CB-CB 3.84Å; I15-A388 HydrophobicContact CD1-CB 4.24Å; I15-A388 HydrophobicContact CG2-CB 3.36Å; H17-A388 HydrophobicContact CB-CB 3.92Å; S384-A388 PolarHBondContact O-N 3.24Å; S385-A388 WeakPolarHBondContact O-CB 3.42Å; S385-A388 PolarHBondContact O-N 2.95Å; A388-Q390 PolarHBondContact O-N 3.31Å; A388-Q390 VanDerWaalsContact O-N 3.13Å; A388-Y391 PolarHBondContact O-N 3.06Å; A388-F442 HydrophobicContact CB-CD1 4.45Å; A388-F442 HydrophobicContact CB-CE1 4.19Å
389Q60.6Low78.9Confident157 Ų15767 Ų6773%0.73432%0.318SS*.THydrogen-bonded Turntrans-62.6-21.7-177.7-72.7175.77.400113.3S385 V387S385-Q389 WeakPolarHBondContact O-CG 3.49Å; S385-Q389 PolarHBondContact O-N 3.25Å; S385-Q389 VanDerWaalsContact O-N 3.14Å; V387-Q389 PolarHBondContact O-N 3.47Å
390Q58.7Low78.6Confident106 Ų10667.8 Ų67.850%0.49532%0.324SS..THydrogen-bonded Turntrans-89.1-9.8-174.4-62.1-174.8900113.6V387 A388 R392V387-Q390 PolarHBondContact O-N 3.13Å; A388-Q390 PolarHBondContact O-N 3.31Å; A388-Q390 VanDerWaalsContact O-N 3.13Å; Q390-R392 HydrophobicContact CB-CB 4.15Å; Q390-R392 HydrophobicContact CB-CG 3.81Å; Q390-R392 WeakPolarHBondContact O-CG 3.39Å; Q390-R392 PolarHBondContact O-N 3.11Å; Q390-R392 VanDerWaalsContact OE1-CD 3.26Å
391Y59.4Low77.9Confident126 Ų12674.4 Ų74.449%0.49436%0.359SS..THydrogen-bonded Turntrans46.628.9-170.7-65.9-76.7000113.2R14 A388R14-Y391 HydrophobicContact CG-CD1 3.65Å; R14-Y391 HydrophobicContact CG-CE1 4.27Å; R14-Y391 VanDerWaalsContact NE-CD1 3.31Å; A388-Y391 PolarHBondContact O-N 3.06Å
392R61.6Low77Confident161 Ų16176.7 Ų76.761%0.60838%0.383SS*.PPolyproline II helixtrans-89.9150.9-176.9-77.8-179.6-174.1178.7-13.2110.5K13 Q390 L394K13-R392 CarbonylContact O-C 3.52Å; Q390-R392 HydrophobicContact CB-CB 4.15Å; Q390-R392 HydrophobicContact CB-CG 3.81Å; Q390-R392 WeakPolarHBondContact O-CG 3.39Å; Q390-R392 PolarHBondContact O-N 3.11Å; Q390-R392 VanDerWaalsContact OE1-CD 3.26Å; R392-L394 PolarHBondContact O-N 3.49Å
393L67.8Low76Confident101 Ų10178 Ų7853%0.52941%0.408SS..PPolyproline II helixtrans-47.8127.5163.8-100.9134.9000109.8V11 K13 S395V11-L393 HydrophobicContact CG1-CD2 3.59Å; K13-L393 HydrophobicContact CB-CG 4.47Å; K13-L393 HydrophobicContact CD-CD1 4.06Å; K13-L393 HydrophobicContact CD-CD2 4.06Å; K13-L393 HydrophobicContact CD-CG 3.88Å; K13-L393 HydrophobicContact CG-CD2 3.83Å; K13-L393 HydrophobicContact CG-CG 3.84Å; L393-S395 PolarHBondContact O-N 3.21Å
394L75.4Confident74.9Confident12 Ų1287.9 Ų87.96%0.06345%0.452CS..PPolyproline II helixtrans-64.7130.3173.2-71.5171.6000109.5F12 I15 F368 L381 V387 R392 F444F12-L394 HydrophobicContact CB-CD1 4.14Å; I15-L394 HydrophobicContact CD1-CD2 3.75Å; I15-L394 HydrophobicContact CD1-CG 4.41Å; F368-L394 HydrophobicContact CZ-CD1 4.37Å; L381-L394 HydrophobicContact CB-CD1 4.28Å; L381-L394 HydrophobicContact CD1-CD1 4.08Å; L381-L394 HydrophobicContact CD2-CB 3.83Å; L381-L394 HydrophobicContact CD2-CD1 4.4Å; L381-L394 HydrophobicContact CG-CD1 4.49Å; V387-L394 HydrophobicContact CG1-CD2 3.47Å; V387-L394 VanDerWaalsContact CG1-CD2 3.47Å; R392-L394 PolarHBondContact O-N 3.49Å; L394-F444 HydrophobicContact CD1-CD1 3.63Å; L394-F444 HydrophobicContact CD1-CE1 3.73Å
395S81.3Confident74.4Confident48 Ų4894.8 Ų94.834%0.33648%0.475SS..PPolyproline II helixtrans-81.2124.7168.448.90000109.4L393 K397 D408L393-S395 PolarHBondContact O-N 3.21Å; S395-K397 PolarHBondContact O-N 3.42Å; S395-D408 WeakPolarHBondContact CB-OD1 3.12Å; S395-D408 PolarHBondContact OG-OD1 2.95Å
396P87.1Confident74.4Confident72 Ų72101.9 Ų101.947%0.46850%0.496SS..PPolyproline II helixtrans-58134.6171.9-2333.6000110.7L379 T380L379-P396 HydrophobicContact CD2-CG 4.1Å; T380-P396 CarbonylContact O-C 3.46Å; T380-P396 WeakPolarHBondContact O-CA 3.42Å
397K90.4Very high74.7Confident41 Ų41103.8 Ų103.818%0.17850%0.502CS..PPolyproline II helixtrans-91.2134.4175.1-57.7-60.4-179.4179.10109.9F367 T380 E382 S395 D408 F410F367-K397 HydrophobicContact CE1-CG 4.05Å; F367-K397 HydrophobicContact CZ-CB 4.36Å; F367-K397 HydrophobicContact CZ-CG 4.16Å; T380-K397 WeakPolarHBondContact CB-O 3.44Å; T380-K397 HydrophobicContact CG2-CB 4.24Å; T380-K397 PolarHBondContact O-N 3.36Å; E382-K397 WeakPolarHBondContact OE2-CE 3.47Å; E382-K397 IonicContact OE2-NZ 3.85Å; S395-K397 PolarHBondContact O-N 3.42Å; K397-D408 CarbonylContact C-O 3.6Å; K397-D408 VanDerWaalsContact CA-O 3.28Å; K397-D408 WeakPolarHBondContact CA-O 3.47Å; K397-D408 HydrophobicContact CD-CB 4.28Å; K397-D408 IonicContact NZ-OD1 3.22Å; K397-D408 PolarHBondContact NZ-OD1 2.66Å; K397-F410 HydrophobicContact CB-CD1 3.91Å; K397-F410 HydrophobicContact CB-CE1 4.05Å
398R88.6Confident75.4Confident187 Ų187104.2 Ų104.271%0.70650%0.503SS*.EExtended strand (participates in β ladder)trans-115.6132.2-179.9-168.4176179.1176.21.1111.4D408 E409 F410R398-D408 PolarHBondContact N-O 2.93Å; R398-E409 CarbonylContact O-C 3.54Å; R398-E409 VanDerWaalsContact O-CA 3.25Å; R398-E409 WeakPolarHBondContact O-CA 3.42Å; R398-F410 WeakPolarHBondContact O-CD1 3.4Å; R398-F410 PolarHBondContact O-N 2.8Å
399F88.2Confident76.4Confident64 Ų64106.1 Ų106.128%0.28151%0.511SS..EExtended strand (participates in β ladder)trans-73141.1171.1176.3-105.5000110.5Y330 D401 F410 A412Y330-F399 VanDerWaalsContact CB-CE2 3.48Å; Y330-F399 HydrophobicContact CD1-CD2 4.19Å; Y330-F399 HydrophobicContact CD1-CG 4.16Å; Y330-F399 HydrophobicContact CD2-CD2 4.35Å; Y330-F399 HydrophobicContact CD2-CE2 4.29Å; Y330-F399 AromaticContact CG-CD2 3.88Å; Y330-F399 HydrophobicContact CG-CD2 3.88Å; Y330-F399 AromaticContact CG-CE2 3.92Å; Y330-F399 HydrophobicContact CG-CE2 3.92Å; Y330-F399 HydrophobicContact CG-CG 4.22Å; Y330-F399 HydrophobicContact CG-CZ 4.3Å; F399-D401 HydrophobicContact CE1-CB 3.99Å; F399-D401 HydrophobicContact CZ-CB 4.16Å; F399-F410 WeakPolarHBondContact CA-O 3.45Å; F399-F410 HydrophobicContact CB-CE1 4.12Å; F399-F410 HydrophobicContact CB-CE2 4.01Å; F399-F410 HydrophobicContact CB-CZ 3.72Å; F399-F410 HydrophobicContact CD2-CD2 4.12Å; F399-F410 AromaticContact CD2-CE2 3.82Å; F399-F410 HydrophobicContact CD2-CE2 3.82Å; F399-F410 HydrophobicContact CD2-CZ 4.4Å; F399-F410 HydrophobicContact CG-CE2 4.38Å; F399-A412 HydrophobicContact CE2-CB 4.35Å
400V88Confident77.8Confident45 Ų4599.2 Ų99.227%0.27348%0.478SS..  trans-136.4131.8173.5-140.80000108.9G402 E409 F410V400-G402 PolarHBondContact O-N 3.06Å; V400-E409 HydrophobicContact CG2-CB 3.53Å; V400-E409 HydrophobicContact CG2-CG 3.53Å; V400-F410 PolarHBondContact N-O 3.42Å
401D79.1Confident79.2Confident148 Ų14895 Ų9579%0.79146%0.46SS*.SBendtrans-89.699.8177.7-165.822000110F399F399-D401 HydrophobicContact CE1-CB 3.99Å; F399-D401 HydrophobicContact CZ-CB 4.16Å
402G74Confident80.6Confident51 Ų5189.4 Ų89.453%0.52644%0.44SS..SBendtrans71.7163-179.300000115.5V400V400-G402 PolarHBondContact O-N 3.06Å
403G70.6Confident81.7Confident72 Ų7287.4 Ų87.474%0.74244%0.441SS*.SBendtrans99.2-179.6175.900000115.5R405G403-R405 PolarHBondContact O-N 3.05Å; G403-R405 VanDerWaalsContact O-N 3.17Å
404K68.9Low82.5Confident208 Ų20885.8 Ų85.890%0.90444%0.437SS*.  trans-73.5105.8179.1-94.1-176.1175178.40110.1R406K404-R406 PolarHBondContact O-N 3.3Å
405R74.1Confident83.3Confident159 Ų15985.9 Ų85.960%0.644%0.438SS*.  trans-51.7127.4173.9-170.7-177.975.9167.81.7111.9G403 E409G403-R405 PolarHBondContact O-N 3.05Å; G403-R405 VanDerWaalsContact O-N 3.17Å; R405-E409 VanDerWaalsContact CD-O 3.31Å; R405-E409 WeakPolarHBondContact CD-O 3.46Å; R405-E409 HydrophobicContact CG-CB 4.1Å; R405-E409 WeakPolarHBondContact CG-O 3.33Å
406R79.4Confident83.8Confident189 Ų18986.5 Ų86.571%0.71344%0.437SS*.  trans-90.9176167.4-58179.4174.7-173.7-0.2111K404 E409K404-R406 PolarHBondContact O-N 3.3Å; R406-E409 HydrophobicContact CB-CG 4.38Å; R406-E409 VanDerWaalsContact CB-OE2 3.3Å; R406-E409 WeakPolarHBondContact CB-OE2 3.42Å; R406-E409 PolarHBondContact N-OE2 2.71Å; R406-E409 PolarHBondContact O-N 2.79Å
407K79.5Confident84Confident188 Ų18885.1 Ų85.182%0.81742%0.424SS*.THydrogen-bonded Turntrans-62.3137.8171.6-168.1-177.6176-176.40109.1E409K407-E409 PolarHBondContact O-N 3.26Å
408D83.1Confident84.1Confident47 Ų4787.1 Ų87.125%0.25144%0.443SS..THydrogen-bonded Turntrans68.712.2-177.8-54.7-57.6000116S395 K397 R398S395-D408 WeakPolarHBondContact CB-OD1 3.12Å; S395-D408 PolarHBondContact OG-OD1 2.95Å; K397-D408 CarbonylContact C-O 3.6Å; K397-D408 VanDerWaalsContact CA-O 3.28Å; K397-D408 WeakPolarHBondContact CA-O 3.47Å; K397-D408 HydrophobicContact CD-CB 4.28Å; K397-D408 IonicContact NZ-OD1 3.22Å; K397-D408 PolarHBondContact NZ-OD1 2.66Å; R398-D408 PolarHBondContact N-O 2.93Å
409E88.4Confident84.3Confident47 Ų4781.7 Ų81.722%0.2243%0.426CS..EExtended strand (participates in β ladder)trans-103.3149.1169.8-75.1171.8-174.600110.8R398 V400 R405 R406 K407R398-E409 CarbonylContact O-C 3.54Å; R398-E409 VanDerWaalsContact O-CA 3.25Å; R398-E409 WeakPolarHBondContact O-CA 3.42Å; V400-E409 HydrophobicContact CG2-CB 3.53Å; V400-E409 HydrophobicContact CG2-CG 3.53Å; R405-E409 VanDerWaalsContact CD-O 3.31Å; R405-E409 WeakPolarHBondContact CD-O 3.46Å; R405-E409 HydrophobicContact CG-CB 4.1Å; R405-E409 WeakPolarHBondContact CG-O 3.33Å; R406-E409 HydrophobicContact CB-CG 4.38Å; R406-E409 VanDerWaalsContact CB-OE2 3.3Å; R406-E409 WeakPolarHBondContact CB-OE2 3.42Å; R406-E409 PolarHBondContact N-OE2 2.71Å; R406-E409 PolarHBondContact O-N 2.79Å; K407-E409 PolarHBondContact O-N 3.26Å
410F90.3Very high84.7Confident12 Ų1281.4 Ų81.45%0.05342%0.424CS..EExtended strand (participates in β ladder)trans-133.7152.817370.9-85.3000111.5Y330 F367 T380 K397 R398 F399 V400 L415Y330-F410 HydrophobicContact CE1-CE2 4.16Å; Y330-F410 HydrophobicContact CE1-CZ 4.27Å; Y330-F410 HydrophobicContact CE2-CE2 4.25Å; Y330-F410 AromaticContact CZ-CE2 3.95Å; F367-F410 HydrophobicContact CD2-CE1 4.45Å; F367-F410 HydrophobicContact CD2-CZ 4.38Å; F367-F410 HydrophobicContact CE2-CB 4.37Å; F367-F410 AromaticContact CE2-CD1 3.78Å; F367-F410 HydrophobicContact CE2-CD1 3.78Å; F367-F410 AromaticContact CE2-CD2 3.98Å; F367-F410 HydrophobicContact CE2-CD2 3.98Å; F367-F410 AromaticContact CE2-CE1 3.94Å; F367-F410 HydrophobicContact CE2-CE1 3.94Å; F367-F410 HydrophobicContact CE2-CE2 4.14Å; F367-F410 AromaticContact CE2-CG 3.78Å; F367-F410 HydrophobicContact CE2-CG 3.78Å; F367-F410 HydrophobicContact CE2-CZ 4.11Å; F367-F410 HydrophobicContact CZ-CB 4.5Å; F367-F410 HydrophobicContact CZ-CD1 4.25Å; F367-F410 HydrophobicContact CZ-CG 4.31Å; T380-F410 HydrophobicContact CG2-CE1 4.27Å; K397-F410 HydrophobicContact CB-CD1 3.91Å; K397-F410 HydrophobicContact CB-CE1 4.05Å; R398-F410 WeakPolarHBondContact O-CD1 3.4Å; R398-F410 PolarHBondContact O-N 2.8Å; F399-F410 WeakPolarHBondContact CA-O 3.45Å; F399-F410 HydrophobicContact CB-CE1 4.12Å; F399-F410 HydrophobicContact CB-CE2 4.01Å; F399-F410 HydrophobicContact CB-CZ 3.72Å; F399-F410 HydrophobicContact CD2-CD2 4.12Å; F399-F410 AromaticContact CD2-CE2 3.82Å; F399-F410 HydrophobicContact CD2-CE2 3.82Å; F399-F410 HydrophobicContact CD2-CZ 4.4Å; F399-F410 HydrophobicContact CG-CE2 4.38Å; V400-F410 PolarHBondContact N-O 3.42Å; F410-L415 HydrophobicContact CD2-CD2 3.81Å; F410-L415 HydrophobicContact CD2-CG 4.49Å; F410-L415 HydrophobicContact CE2-CD2 4.23Å
411T88.9Confident85.1Confident18 Ų1879.3 Ų79.311%0.1141%0.411CS..  trans-120160.2173.9650000108.7D413 C414T411-D413 PolarHBondContact O-N 3.26Å; T411-C414 PolarHBondContact O-N 3.14Å; T411-C414 VanDerWaalsContact O-N 3.16Å; T411-C414 PolarHBondContact OG1-SG 2.82Å
412A87.1Confident86Confident8 Ų873.8 Ų73.87%0.06638%0.382CS..G310 helixtrans-64.3-24.8-179.300000113Y330 L331 R334 F399 C414Y330-A412 HydrophobicContact CD2-CB 4.45Å; L331-A412 HydrophobicContact CD2-CB 4.42Å; R334-A412 VanDerWaalsContact NE-CB 3.3Å; F399-A412 HydrophobicContact CE2-CB 4.35Å; A412-C414 VanDerWaalsContact C-N 3.32Å; A412-C414 PolarHBondContact O-N 3.28Å
413D85.3Confident87.1Confident119 Ų11972.6 Ų72.664%0.63636%0.363SS*.G310 helixtrans-70.7-23.7176.1-71.2-58.4000114.3R334 T411R334-D413 IonicContact CZ-OD1 2.9Å; R334-D413 IonicContact NH1-OD1 2.81Å; R334-D413 PolarHBondContact NH1-OD1 3.32Å; R334-D413 IonicContact NH2-OD1 3.47Å; R334-D413 PolarHBondContact NH2-OD1 2.89Å; R334-D413 IonicContact NH2-OD2 3.64Å; R334-D413 PolarHBondContact NH2-OD2 3.34Å; T411-D413 PolarHBondContact O-N 3.26Å
414C85.9Confident88.4Confident67 Ų6769.2 Ų69.245%0.45333%0.327SS..G310 helixtrans-99.44.3-174.4-63.30000113.1T411 A412T411-C414 PolarHBondContact O-N 3.14Å; T411-C414 VanDerWaalsContact O-N 3.16Å; T411-C414 PolarHBondContact OG1-SG 2.82Å; A412-C414 VanDerWaalsContact C-N 3.32Å; A412-C414 PolarHBondContact O-N 3.28Å
415L90.8Very high89.8Confident13 Ų1359.4 Ų59.47%0.06829%0.285CS..  trans-76.6127.5-179.6-66.6172000110.1Y330 L331 N365 F367 F410 F417Y330-L415 HydrophobicContact CD2-CD1 4.22Å; Y330-L415 HydrophobicContact CE2-CD1 3.55Å; L331-L415 HydrophobicContact CD2-CD1 3.86Å; N365-L415 HydrophobicContact CB-CD2 3.67Å; F367-L415 HydrophobicContact CD2-CD2 4.48Å; F367-L415 HydrophobicContact CE2-CD2 4.01Å; F410-L415 HydrophobicContact CD2-CD2 3.81Å; F410-L415 HydrophobicContact CD2-CG 4.49Å; F410-L415 HydrophobicContact CE2-CD2 4.23Å; L415-F417 HydrophobicContact CB-CE1 4.26Å; L415-F417 HydrophobicContact CB-CE2 4.3Å; L415-F417 HydrophobicContact CB-CZ 4Å; L415-F417 HydrophobicContact CD1-CE1 4.44Å; L415-F417 HydrophobicContact CD1-CZ 4.43Å
416D91.6Very high90.9Very high61 Ų6152.4 Ų52.433%0.32626%0.259SS..  trans-85.6108.6165.5-171.2-18.9000109.3N365 S418 H419N365-D416 PolarHBondContact N-O 3Å; N365-D416 PolarHBondContact OD1-N 2.92Å; D416-S418 VanDerWaalsContact C-N 3.29Å; D416-S418 PolarHBondContact O-N 2.62Å; D416-S418 VanDerWaalsContact OD1-CB 3.3Å; D416-S418 WeakPolarHBondContact OD1-CB 3.36Å; D416-S418 PolarHBondContact OD1-N 2.92Å; D416-S418 PolarHBondContact OD1-OG 3.18Å; D416-S418 PolarHBondContact OD2-OG 3.06Å; D416-H419 HydrophobicContact CB-CB 4.3Å; D416-H419 PolarHBondContact O-N 3.22Å; D416-H419 VanDerWaalsContact O-O 3.05Å; D416-H419 IonicContact OD2-CE1 3.94Å; D416-H419 IonicContact OD2-CG 3.44Å; D416-H419 IonicContact OD2-ND1 2.72Å; D416-H419 PolarHBondContact OD2-ND1 3.12Å
417F93Very high91.7Very high44 Ų4443.5 Ų43.519%0.19323%0.225CC..SBendtrans-76.2-15.8-179.7-61.5-78.1000113.4L331 L338 Y364 L415 H419L331-F417 HydrophobicContact CD1-CE1 4.15Å; L331-F417 HydrophobicContact CD2-CE1 3.98Å; L331-F417 HydrophobicContact CD2-CZ 4.08Å; L338-F417 HydrophobicContact CD2-CD1 3.67Å; L338-F417 HydrophobicContact CD2-CE1 3.47Å; L338-F417 VanDerWaalsContact CD2-CE1 3.47Å; L338-F417 HydrophobicContact CD2-CE2 4.42Å; L338-F417 HydrophobicContact CD2-CG 4.27Å; L338-F417 HydrophobicContact CD2-CZ 3.87Å; Y364-F417 HydrophobicContact CD1-CB 4.12Å; Y364-F417 AromaticContact CD1-CD1 3.67Å; Y364-F417 HydrophobicContact CD1-CD1 3.67Å; Y364-F417 HydrophobicContact CD1-CG 4.38Å; Y364-F417 AromaticContact CD2-CD1 3.89Å; Y364-F417 HydrophobicContact CD2-CD1 3.89Å; Y364-F417 HydrophobicContact CD2-CE1 4.09Å; Y364-F417 HydrophobicContact CE1-CB 4.36Å; Y364-F417 AromaticContact CE1-CD1 3.96Å; Y364-F417 HydrophobicContact CE1-CD1 3.96Å; Y364-F417 HydrophobicContact CE2-CD1 4.17Å; Y364-F417 HydrophobicContact CE2-CE1 4.45Å; Y364-F417 AromaticContact CG-CD1 3.62Å; Y364-F417 HydrophobicContact CG-CD1 3.62Å; Y364-F417 HydrophobicContact CG-CE1 4.17Å; L415-F417 HydrophobicContact CB-CE1 4.26Å; L415-F417 HydrophobicContact CB-CE2 4.3Å; L415-F417 HydrophobicContact CB-CZ 4Å; L415-F417 HydrophobicContact CD1-CE1 4.44Å; L415-F417 HydrophobicContact CD1-CZ 4.43Å; F417-H419 VanDerWaalsContact C-N 3.28Å
418S91.7Very high92.4Very high82 Ų8235.7 Ų35.757%0.57319%0.193SC*.SBendtrans-72.7-28.3173.5770000111.6D416D416-S418 VanDerWaalsContact C-N 3.29Å; D416-S418 PolarHBondContact O-N 2.62Å; D416-S418 VanDerWaalsContact OD1-CB 3.3Å; D416-S418 WeakPolarHBondContact OD1-CB 3.36Å; D416-S418 PolarHBondContact OD1-N 2.92Å; D416-S418 PolarHBondContact OD1-OG 3.18Å; D416-S418 PolarHBondContact OD2-OG 3.06Å
419H93.6Very high92.9Very high74 Ų7439.4 Ų39.434%0.34321%0.213SC..SBendtrans-86.4112.8171.9-72.9165.5000110.1Y364 N365 N366 D416 F417Y364-H419 CarbonylContact C-O 3.55Å; Y364-H419 WeakPolarHBondContact CA-O 3.47Å; N365-H419 WeakPolarHBondContact CA-O 3.44Å; N365-H419 PolarHBondContact N-O 2.85Å; N366-H419 PolarHBondContact N-O 3.28Å; N366-H419 WeakPolarHBondContact OD1-CB 3.43Å; D416-H419 HydrophobicContact CB-CB 4.3Å; D416-H419 PolarHBondContact O-N 3.22Å; D416-H419 VanDerWaalsContact O-O 3.05Å; D416-H419 IonicContact OD2-CE1 3.94Å; D416-H419 IonicContact OD2-CG 3.44Å; D416-H419 IonicContact OD2-ND1 2.72Å; D416-H419 PolarHBondContact OD2-ND1 3.12Å; F417-H419 VanDerWaalsContact C-N 3.28Å
420K95.3Very high93.1Very high58 Ų5840.4 Ų40.425%0.25222%0.218SC..BIsolated β-bridgetrans-148.9140.2-176.352.8-169.1170.1-1710111.5D346 Y364 N366 L422D346-K420 IonicContact OD1-NZ 3.34Å; D346-K420 PolarHBondContact OD1-NZ 3.06Å; D346-K420 VanDerWaalsContact OD2-CD 3.25Å; D346-K420 WeakPolarHBondContact OD2-CD 3.49Å; D346-K420 IonicContact OD2-NZ 2.78Å; D346-K420 PolarHBondContact OD2-NZ 3.23Å; Y364-K420 HydrophobicContact CD1-CB 4.05Å; Y364-K420 HydrophobicContact CE1-CB 4.45Å; Y364-K420 HydrophobicContact CE1-CD 4.37Å; N366-K420 PolarHBondContact OD1-N 2.87Å; K420-L422 HydrophobicContact CB-CD2 4.43Å; K420-L422 HydrophobicContact CD-CD1 4.24Å; K420-L422 HydrophobicContact CD-CD2 4.08Å; K420-L422 HydrophobicContact CD-CG 4.18Å; K420-L422 HydrophobicContact CG-CD1 4.48Å; K420-L422 HydrophobicContact CG-CD2 4.3Å; K420-L422 HydrophobicContact CG-CG 4.09Å
421I97.1Very high93.1Very high0 Ų042.6 Ų42.60%023%0.23CC..  trans-96.296.5169.4-54.2-56.3000107.2F348 G362 A363 N366 F367 A383 C424 A435 A436 A437F348-I421 VanDerWaalsContact CD1-O 3.25Å; F348-I421 WeakPolarHBondContact CD1-O 3.46Å; F348-I421 WeakPolarHBondContact CE1-O 3.26Å; G362-I421 VanDerWaalsContact CA-O 3.23Å; G362-I421 WeakPolarHBondContact CA-O 3.32Å; A363-I421 PolarHBondContact O-N 2.91Å; N366-I421 HydrophobicContact CB-CD1 4.23Å; F367-I421 WeakPolarHBondContact O-CB 3.43Å; F367-I421 VanDerWaalsContact O-CG1 3.26Å; F367-I421 WeakPolarHBondContact O-CG1 3.46Å; A383-I421 HydrophobicContact CB-CD1 4.03Å; I421-C424 HydrophobicContact CG2-CB 3.98Å; I421-A435 HydrophobicContact CG2-CB 3.95Å; I421-A436 WeakPolarHBondContact CD1-O 2.97Å; I421-A437 HydrophobicContact CD1-CB 3.51Å
422L97.7Very high93.3Very high33 Ų3341.8 Ų41.817%0.17323%0.225CC..  trans-85.8-34.9173.5-60.4-178.9000111.5D346 F348 E349 K420D346-L422 HydrophobicContact CB-CD2 3.93Å; F348-L422 HydrophobicContact CD1-CD2 3.88Å; F348-L422 HydrophobicContact CD2-CD2 4.42Å; F348-L422 HydrophobicContact CE1-CD2 3.74Å; F348-L422 HydrophobicContact CE2-CD2 4.3Å; F348-L422 HydrophobicContact CG-CD2 4.22Å; F348-L422 HydrophobicContact CZ-CD2 3.96Å; E349-L422 WeakPolarHBondContact CB-O 3.37Å; E349-L422 PolarHBondContact N-O 2.83Å; E349-L422 VanDerWaalsContact N-O 3.09Å; K420-L422 HydrophobicContact CB-CD2 4.43Å; K420-L422 HydrophobicContact CD-CD1 4.24Å; K420-L422 HydrophobicContact CD-CD2 4.08Å; K420-L422 HydrophobicContact CD-CG 4.18Å; K420-L422 HydrophobicContact CG-CD1 4.48Å; K420-L422 HydrophobicContact CG-CD2 4.3Å; K420-L422 HydrophobicContact CG-CG 4.09Å
423H97.8Very high93.7Very high26 Ų2641.4 Ų41.412%0.1222%0.222CC..  trans-116.2119.1-175.2-45.9-66.3000109.7S30 I32 E349 A436S30-H423 PolarHBondContact O-CE1 3.17Å; S30-H423 PolarHBondContact O-NE2 2.84Å; S30-H423 VanDerWaalsContact O-NE2 3.14Å; I32-H423 HydrophobicContact CD1-CB 4.02Å; I32-H423 WeakPolarHBondContact CD1-O 3.46Å; I32-H423 HydrophobicContact CG1-CB 4.01Å; E349-H423 IonicContact OE1-CE1 3.04Å; E349-H423 IonicContact OE1-ND1 2.65Å; E349-H423 PolarHBondContact OE1-ND1 2.83Å; E349-H423 IonicContact OE2-ND1 3.06Å; H423-A436 HydrophobicContact CB-CB 4.47Å; H423-A436 PolarHBondContact O-N 2.87Å
424C97.3Very high94.2Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-144.7154172.259.90000108.5Y351 L360 I421 A434 A435Y351-C424 WeakPolarHBondContact CD2-O 3.44Å; Y351-C424 WeakPolarHBondContact CE2-O 3.28Å; L360-C424 HydrophobicContact CD2-CB 4.15Å; L360-C424 HydrophobicContact CG-CB 4.46Å; I421-C424 HydrophobicContact CG2-CB 3.98Å; C424-A434 CarbonylContact C-O 3.51Å; C424-A434 WeakPolarHBondContact CA-O 3.48Å; C424-A435 HydrophobicContact CB-CB 4.08Å
425V97.7Very high94.7Very high2 Ų232.6 Ų32.61%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-142149.2-178.3-66.50000110I32 F34 L41 Y351 I433 A434I32-V425 HydrophobicContact CB-CG1 4Å; I32-V425 HydrophobicContact CB-CG2 4.25Å; I32-V425 HydrophobicContact CG2-CG1 4.12Å; I32-V425 HydrophobicContact CG2-CG2 3.53Å; I32-V425 VanDerWaalsContact O-CG1 3.25Å; I32-V425 WeakPolarHBondContact O-CG1 3.47Å; F34-V425 HydrophobicContact CD2-CB 4.07Å; F34-V425 HydrophobicContact CD2-CG2 3.57Å; F34-V425 HydrophobicContact CE2-CB 4.35Å; F34-V425 HydrophobicContact CE2-CG2 3.55Å; L41-V425 HydrophobicContact CD1-CG2 4.02Å; Y351-V425 HydrophobicContact CD1-CG1 4.47Å; Y351-V425 HydrophobicContact CE1-CB 4.37Å; Y351-V425 HydrophobicContact CE1-CG1 3.87Å; Y351-V425 HydrophobicContact CE2-CG1 4.02Å; V425-I433 CarbonylContact O-C 3.56Å; V425-I433 WeakPolarHBondContact O-CA 3.22Å; V425-A434 HydrophobicContact CG2-CB 3.76Å; V425-A434 PolarHBondContact N-O 2.98Å; V425-A434 PolarHBondContact O-N 2.82Å
426W97.4Very high94.9Very high13 Ų1332.1 Ų32.15%0.04917%0.169CC..EExtended strand (participates in β ladder)trans-104.2138.3170-153-53.5000109.1P10 F12 W352 S353 N358 L360 T370 E430 I433P10-W426 HydrophobicContact CG-CH2 4.17Å; P10-W426 HydrophobicContact CG-CZ2 4.02Å; F12-W426 HydrophobicContact CZ-CH2 4.16Å; F12-W426 HydrophobicContact CZ-CZ2 4.03Å; W352-W426 WeakPolarHBondContact O-CB 3.27Å; S353-W426 VanDerWaalsContact CB-CE2 3.49Å; N358-W426 HydrophobicContact CB-CH2 3.46Å; N358-W426 VanDerWaalsContact CB-CH2 3.46Å; N358-W426 HydrophobicContact CB-CZ2 4.34Å; N358-W426 HydrophobicContact CB-CZ3 3.75Å; L360-W426 HydrophobicContact CB-CE3 3.63Å; L360-W426 HydrophobicContact CB-CZ3 4Å; L360-W426 HydrophobicContact CD2-CB 4.39Å; L360-W426 HydrophobicContact CD2-CE3 4.29Å; T370-W426 HydrophobicContact CG2-CZ3 4.21Å; W426-E430 VanDerWaalsContact CD1-O 3.28Å; W426-E430 PolarHBondContact NE1-O 2.8Å; W426-E430 VanDerWaalsContact NE1-O 3.08Å; W426-I433 HydrophobicContact CD2-CD1 4.1Å; W426-I433 HydrophobicContact CD2-CG1 3.89Å; W426-I433 HydrophobicContact CE3-CD1 3.91Å; W426-I433 HydrophobicContact CE3-CG1 4.17Å; W426-I433 HydrophobicContact CG-CG1 4.13Å; W426-I433 HydrophobicContact CH2-CD1 4.21Å; W426-I433 HydrophobicContact CZ2-CD1 4.44Å; W426-I433 HydrophobicContact CZ3-CD1 3.95Å
427H96.7Very high95Very high2 Ų229.4 Ų29.41%0.00915%0.154CC..  trans-60.3139.4172.2-176.1-72.7000111.2F34 G38 Y70 D429 E430 I432F34-H427 HydrophobicContact CD2-CB 4.4Å; F34-H427 AromaticContact CE1-CD2 3.98Å; F34-H427 HydrophobicContact CE2-CB 4.05Å; F34-H427 HydrophobicContact CZ-CB 4.17Å; G38-H427 WeakPolarHBondContact CA-NE2 3.31Å; G38-H427 PolarHBondContact O-NE2 2.7Å; Y70-H427 PolarHBondContact OH-CD2 2.98Å; H427-D429 VanDerWaalsContact C-N 3.28Å; H427-D429 PolarHBondContact ND1-N 2.95Å; H427-D429 VanDerWaalsContact ND1-N 3.15Å; H427-D429 PolarHBondContact O-N 2.73Å; H427-E430 PolarHBondContact ND1-N 2.93Å; H427-E430 VanDerWaalsContact ND1-N 3.11Å; H427-I432 HydrophobicContact CB-CB 3.76Å; H427-I432 VanDerWaalsContact CB-O 3.29Å; H427-I432 WeakPolarHBondContact CB-O 3.39Å; H427-I432 PolarHBondContact N-O 3.15Å
428P95.1Very high94.8Very high23 Ų2329.5 Ų29.515%0.14916%0.159CC..SBendtrans-60.7-32.5-17221.9-34.3000114.2G354G354-P428 WeakPolarHBondContact CA-O 3.42Å
429D92.7Very high94.5Very high126 Ų12625.8 Ų25.867%0.67413%0.132SC*.SBendtrans-125.2-4.3-174.7-60.2-55000115.2H427H427-D429 VanDerWaalsContact C-N 3.28Å; H427-D429 PolarHBondContact ND1-N 2.95Å; H427-D429 VanDerWaalsContact ND1-N 3.15Å; H427-D429 PolarHBondContact O-N 2.73Å
430E91.9Very high94.4Very high68 Ų6822.8 Ų22.832%0.31812%0.119SC..SBendtrans-133.5159.2-171.3-67.5-172.4-15200111.1R55 W426 H427 I432R55-E430 IonicContact CZ-OE1 2.96Å; R55-E430 IonicContact CZ-OE2 3.91Å; R55-E430 IonicContact NH1-OE1 2.68Å; R55-E430 PolarHBondContact NH1-OE1 2.97Å; R55-E430 IonicContact NH1-OE2 2.8Å; R55-E430 PolarHBondContact NH1-OE2 2.82Å; R55-E430 IonicContact NH2-OE1 3.7Å; R55-E430 PolarHBondContact NH2-OE1 2.97Å; R55-E430 IonicContact NH2-OE2 2.76Å; R55-E430 PolarHBondContact NH2-OE2 3.23Å; W426-E430 VanDerWaalsContact CD1-O 3.28Å; W426-E430 PolarHBondContact NE1-O 2.8Å; W426-E430 VanDerWaalsContact NE1-O 3.08Å; H427-E430 PolarHBondContact ND1-N 2.93Å; H427-E430 VanDerWaalsContact ND1-N 3.11Å; E430-I432 HydrophobicContact CB-CD1 4.19Å; E430-I432 HydrophobicContact CB-CG1 4.16Å; E430-I432 PolarHBondContact O-N 3.49Å; E430-I432 WeakPolarHBondContact OE2-CD1 3.47Å
431N91.7Very high94.3Very high57 Ų5720.1 Ų20.131%0.30511%0.107SC..SBendtrans-78.559.4173.3-70-20.1000111P10 N445 D446P10-N431 HydrophobicContact CB-CB 4.32Å; N431-N445 CarbonylContact O-C 3.49Å; N431-N445 WeakPolarHBondContact O-CA 3.29Å; N431-D446 HydrophobicContact CB-CB 3.48Å; N431-D446 VanDerWaalsContact CB-CB 3.48Å; N431-D446 PolarHBondContact ND2-OD2 2.62Å; N431-D446 PolarHBondContact O-N 3.18Å
432I93.1Very high94Very high2 Ų220.2 Ų20.21%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-117.1126.8173.1-58.9171.2000107.4F34 T68 H427 E430 I443 F444 N445F34-I432 HydrophobicContact CZ-CG2 4.32Å; T68-I432 HydrophobicContact CG2-CD1 3.72Å; T68-I432 HydrophobicContact CG2-CG1 4.14Å; H427-I432 HydrophobicContact CB-CB 3.76Å; H427-I432 VanDerWaalsContact CB-O 3.29Å; H427-I432 WeakPolarHBondContact CB-O 3.39Å; H427-I432 PolarHBondContact N-O 3.15Å; E430-I432 HydrophobicContact CB-CD1 4.19Å; E430-I432 HydrophobicContact CB-CG1 4.16Å; E430-I432 PolarHBondContact O-N 3.49Å; E430-I432 WeakPolarHBondContact OE2-CD1 3.47Å; I432-I443 HydrophobicContact CG2-CG2 3.65Å; I432-F444 CarbonylContact C-O 3.6Å; I432-F444 VanDerWaalsContact CA-O 3.24Å; I432-F444 WeakPolarHBondContact CA-O 3.41Å; I432-N445 HydrophobicContact CG1-CB 4.3Å
433I95.3Very high93.7Very high0 Ų018.8 Ų18.80%010%0.1CC..EExtended strand (participates in β ladder)trans-116.1139.2176.1-68179000108.2F12 L360 T370 V425 W426 I443 F444F12-I433 HydrophobicContact CD1-CD1 4.44Å; F12-I433 HydrophobicContact CD2-CD1 4.33Å; F12-I433 HydrophobicContact CE1-CB 4.18Å; F12-I433 HydrophobicContact CE1-CD1 3.62Å; F12-I433 HydrophobicContact CE1-CG1 3.66Å; F12-I433 HydrophobicContact CE2-CD1 3.49Å; F12-I433 VanDerWaalsContact CE2-CD1 3.49Å; F12-I433 HydrophobicContact CE2-CG1 4.45Å; F12-I433 HydrophobicContact CZ-CD1 3.09Å; F12-I433 HydrophobicContact CZ-CG1 3.63Å; L360-I433 HydrophobicContact CD1-CD1 3.99Å; L360-I433 HydrophobicContact CD1-CG2 4.25Å; L360-I433 HydrophobicContact CD2-CB 4.42Å; L360-I433 HydrophobicContact CD2-CD1 3.97Å; L360-I433 HydrophobicContact CD2-CG1 4.05Å; L360-I433 HydrophobicContact CD2-CG2 3.61Å; L360-I433 HydrophobicContact CG-CD1 4.42Å; T370-I433 HydrophobicContact CG2-CD1 4Å; V425-I433 CarbonylContact O-C 3.56Å; V425-I433 WeakPolarHBondContact O-CA 3.22Å; W426-I433 HydrophobicContact CD2-CD1 4.1Å; W426-I433 HydrophobicContact CD2-CG1 3.89Å; W426-I433 HydrophobicContact CE3-CD1 3.91Å; W426-I433 HydrophobicContact CE3-CG1 4.17Å; W426-I433 HydrophobicContact CG-CG1 4.13Å; W426-I433 HydrophobicContact CH2-CD1 4.21Å; W426-I433 HydrophobicContact CZ2-CD1 4.44Å; W426-I433 HydrophobicContact CZ3-CD1 3.95Å; I433-I443 CarbonylContact O-C 3.6Å; I433-I443 WeakPolarHBondContact O-CA 3.49Å; I433-F444 HydrophobicContact CB-CB 4.29Å; I433-F444 HydrophobicContact CG2-CD2 4.24Å; I433-F444 PolarHBondContact N-O 2.94Å; I433-F444 PolarHBondContact O-N 3.4Å
434A95.5Very high93.4Very high0 Ų017.6 Ų17.60%010%0.095CC..EExtended strand (participates in β ladder)trans-115.6136.2166.300000110F34 L41 C424 V425 L441 F442 I443F34-A434 HydrophobicContact CE2-CB 4.36Å; F34-A434 HydrophobicContact CZ-CB 4.4Å; L41-A434 HydrophobicContact CD1-CB 4.39Å; L41-A434 HydrophobicContact CD2-CB 3.72Å; C424-A434 CarbonylContact C-O 3.51Å; C424-A434 WeakPolarHBondContact CA-O 3.48Å; V425-A434 HydrophobicContact CG2-CB 3.76Å; V425-A434 PolarHBondContact N-O 2.98Å; V425-A434 PolarHBondContact O-N 2.82Å; A434-L441 HydrophobicContact CB-CD1 4.17Å; A434-F442 CarbonylContact C-O 3.56Å; A434-F442 VanDerWaalsContact CA-O 3.24Å; A434-F442 WeakPolarHBondContact CA-O 3.49Å; A434-I443 HydrophobicContact CB-CG1 4.27Å
435A96.4Very high92.8Very high0 Ų017.8 Ų17.80%010%0.096CC..EExtended strand (participates in β ladder)trans-133137177.200000110.4I421 C424 F442 F444I421-A435 HydrophobicContact CG2-CB 3.95Å; C424-A435 HydrophobicContact CB-CB 4.08Å; A435-F442 PolarHBondContact N-O 2.96Å; A435-F442 PolarHBondContact O-N 2.85Å; A435-F444 HydrophobicContact CB-CE2 3.99Å
436A95.1Very high91.9Very high4 Ų419.6 Ų19.63%0.03311%0.105CC..EExtended strand (participates in β ladder)trans-95.4126.7172.900000110.4I29 I32 I421 H423 N440I29-A436 HydrophobicContact CB-CB 3.79Å; I29-A436 HydrophobicContact CD1-CB 4.09Å; I29-A436 HydrophobicContact CG2-CB 3.63Å; I32-A436 HydrophobicContact CD1-CB 3.53Å; I32-A436 HydrophobicContact CG1-CB 4.2Å; I421-A436 WeakPolarHBondContact CD1-O 2.97Å; H423-A436 HydrophobicContact CB-CB 4.47Å; H423-A436 PolarHBondContact O-N 2.87Å; A436-N440 WeakPolarHBondContact CA-O 3.43Å
437A93Very high90.1Very high3 Ų320.8 Ų20.83%0.02511%0.11CC..EExtended strand (participates in β ladder)trans-118.2104.5165.400000108.1N366 I421 N439 N440 F442N366-A437 HydrophobicContact CB-CB 4.45Å; I421-A437 HydrophobicContact CD1-CB 3.51Å; A437-N439 PolarHBondContact O-N 2.74Å; A437-N440 PolarHBondContact N-O 3.27Å; A437-N440 WeakPolarHBondContact O-CB 3.17Å; A437-N440 PolarHBondContact O-N 3.26Å; A437-F442 HydrophobicContact CB-CD2 4.18Å; A437-F442 HydrophobicContact CB-CE2 3.7Å
438T89.1Confident87.8Confident47 Ų4723 Ų2329%0.28813%0.133SC..THydrogen-bonded Turntrans57-112.3-173.865.80000112.7I29I29-T438 PolarHBondContact N-O 2.77Å
439N85.2Confident85.1Confident3 Ų328.6 Ų28.62%0.01616%0.157CC..THydrogen-bonded Turntrans-94.4-1.2177.464.3-34.1000113.5K20 H23 D27 A437K20-N439 PolarHBondContact O-ND2 3.2Å; H23-N439 PolarHBondContact CE1-OD1 3.16Å; H23-N439 VanDerWaalsContact CE1-OD1 3.3Å; H23-N439 PolarHBondContact ND1-OD1 3.35Å; D27-N439 HydrophobicContact CB-CB 4.08Å; D27-N439 WeakPolarHBondContact O-CA 3.38Å; D27-N439 VanDerWaalsContact O-CB 3.29Å; D27-N439 WeakPolarHBondContact O-CB 3.46Å; A437-N439 PolarHBondContact O-N 2.74Å
440N90.9Very high82.3Confident11 Ų1125.5 Ų25.56%0.05915%0.145CC..EExtended strand (participates in β ladder)trans-99.9131.4-176.4-61.3-54.1000110.9H17 A436 A437 F442H17-N440 PolarHBondContact CE1-OD1 3.46Å; A436-N440 WeakPolarHBondContact CA-O 3.43Å; A437-N440 PolarHBondContact N-O 3.27Å; A437-N440 WeakPolarHBondContact O-CB 3.17Å; A437-N440 PolarHBondContact O-N 3.26Å; N440-F442 HydrophobicContact CB-CD2 4.33Å; N440-F442 HydrophobicContact CB-CE2 3.62Å; N440-F442 HydrophobicContact CB-CZ 3.93Å
441L92.9Very high79.4Confident3 Ų329.9 Ų29.92%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-100.8122.1169.7-176.267.3000109I18 I29 I32 L41 T43 F53 A434 I443I18-L441 PolarHBondContact N-O 3.1Å; I29-L441 HydrophobicContact CD1-CB 3.92Å; I32-L441 HydrophobicContact CD1-CD1 3.88Å; I32-L441 HydrophobicContact CG1-CD1 4.48Å; I32-L441 HydrophobicContact CG2-CD1 4.45Å; L41-L441 HydrophobicContact CD2-CD2 3.89Å; T43-L441 HydrophobicContact CG2-CD1 4.11Å; T43-L441 HydrophobicContact CG2-CD2 3.9Å; F53-L441 HydrophobicContact CD2-CD2 3.99Å; F53-L441 HydrophobicContact CE2-CD2 3.67Å; F53-L441 HydrophobicContact CZ-CD2 4.15Å; A434-L441 HydrophobicContact CB-CD1 4.17Å; L441-I443 HydrophobicContact CG-CG1 4.46Å
442F92.5Very high76.4Confident2 Ų232.6 Ų32.61%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-106.8128175.3-62.9-83.1000109.6I15 F16 H17 A383 A388 A434 A435 A437 N440 F444I15-F442 HydrophobicContact CG2-CB 4.32Å; I15-F442 HydrophobicContact CG2-CD1 3.54Å; I15-F442 HydrophobicContact CG2-CE1 4.37Å; I15-F442 HydrophobicContact CG2-CG 4.41Å; F16-F442 WeakPolarHBondContact O-CA 3.35Å; H17-F442 HydrophobicContact CB-CD1 4.45Å; H17-F442 HydrophobicContact CB-CE1 4.37Å; H17-F442 AromaticContact ND1-CD1 3.97Å; H17-F442 AromaticContact ND1-CE1 3.31Å; H17-F442 VanDerWaalsContact ND1-CE1 3.31Å; H17-F442 WeakPolarHBondContact ND1-CE1 3.44Å; H17-F442 AromaticContact ND1-CZ 3.62Å; A383-F442 HydrophobicContact CB-CB 4.43Å; A383-F442 HydrophobicContact CB-CD2 3.75Å; A383-F442 HydrophobicContact CB-CE2 4.16Å; A383-F442 HydrophobicContact CB-CG 4.08Å; A388-F442 HydrophobicContact CB-CD1 4.45Å; A388-F442 HydrophobicContact CB-CE1 4.19Å; A434-F442 CarbonylContact C-O 3.56Å; A434-F442 VanDerWaalsContact CA-O 3.24Å; A434-F442 WeakPolarHBondContact CA-O 3.49Å; A435-F442 PolarHBondContact N-O 2.96Å; A435-F442 PolarHBondContact O-N 2.85Å; A437-F442 HydrophobicContact CB-CD2 4.18Å; A437-F442 HydrophobicContact CB-CE2 3.7Å; N440-F442 HydrophobicContact CB-CD2 4.33Å; N440-F442 HydrophobicContact CB-CE2 3.62Å; N440-F442 HydrophobicContact CB-CZ 3.93Å; F442-F444 HydrophobicContact CB-CD2 4.43Å; F442-F444 HydrophobicContact CB-CE1 4.43Å; F442-F444 HydrophobicContact CB-CE2 3.54Å; F442-F444 HydrophobicContact CB-CZ 3.54Å; F442-F444 HydrophobicContact CG-CZ 4.27Å
443I91.5Very high73.1Confident3 Ų336.7 Ų36.72%0.01522%0.218CC..EExtended strand (participates in β ladder)trans-113.3120.5175.4-57.1177.2000108.6I15 F16 L41 Y70 I432 I433 A434 L441I15-I443 CarbonylContact C-O 3.55Å; I15-I443 VanDerWaalsContact CA-O 3.28Å; I15-I443 WeakPolarHBondContact CA-O 3.31Å; F16-I443 HydrophobicContact CB-CB 4.29Å; F16-I443 PolarHBondContact N-O 3.41Å; F16-I443 PolarHBondContact O-N 3.19Å; L41-I443 HydrophobicContact CD2-CD1 3.98Å; L41-I443 HydrophobicContact CD2-CG1 4.35Å; Y70-I443 HydrophobicContact CD2-CD1 3.71Å; Y70-I443 HydrophobicContact CD2-CG2 4.35Å; Y70-I443 HydrophobicContact CG-CD1 3.87Å; I432-I443 HydrophobicContact CG2-CG2 3.65Å; I433-I443 CarbonylContact O-C 3.6Å; I433-I443 WeakPolarHBondContact O-CA 3.49Å; A434-I443 HydrophobicContact CB-CG1 4.27Å; L441-I443 HydrophobicContact CG-CG1 4.46Å
444F89.6Confident69.8Low0 Ų042.4 Ų42.40%026%0.255CS..EExtended strand (participates in β ladder)trans-108.3136.2-177.5-57.8-78.1000110F12 R14 I15 F368 A383 L394 I432 I433 A435 F442F12-F444 HydrophobicContact CB-CB 4Å; F12-F444 HydrophobicContact CD1-CB 3.73Å; F12-F444 HydrophobicContact CG-CB 4.05Å; R14-F444 VanDerWaalsContact O-CA 3.28Å; R14-F444 WeakPolarHBondContact O-CA 3.4Å; I15-F444 HydrophobicContact CB-CE1 4.5Å; I15-F444 HydrophobicContact CD1-CD1 4.41Å; I15-F444 HydrophobicContact CD1-CE1 3.78Å; I15-F444 HydrophobicContact CG1-CD1 3.77Å; I15-F444 HydrophobicContact CG1-CE1 3.59Å; I15-F444 HydrophobicContact CG2-CE1 4.32Å; F368-F444 HydrophobicContact CD1-CE2 4.33Å; F368-F444 HydrophobicContact CD1-CZ 4.46Å; F368-F444 HydrophobicContact CE1-CD2 4.13Å; F368-F444 AromaticContact CE1-CE1 3.99Å; F368-F444 HydrophobicContact CE1-CE1 3.99Å; F368-F444 AromaticContact CE1-CE2 3.56Å; F368-F444 HydrophobicContact CE1-CE2 3.56Å; F368-F444 AromaticContact CE1-CZ 3.49Å; F368-F444 HydrophobicContact CE1-CZ 3.49Å; F368-F444 VanDerWaalsContact CE1-CZ 3.49Å; F368-F444 HydrophobicContact CE2-CD2 4.48Å; F368-F444 HydrophobicContact CZ-CD1 4.1Å; F368-F444 AromaticContact CZ-CD2 3.81Å; F368-F444 HydrophobicContact CZ-CD2 3.81Å; F368-F444 HydrophobicContact CZ-CE1 4.03Å; F368-F444 AromaticContact CZ-CE2 3.74Å; F368-F444 HydrophobicContact CZ-CE2 3.74Å; F368-F444 AromaticContact CZ-CG 3.98Å; F368-F444 HydrophobicContact CZ-CG 3.98Å; F368-F444 AromaticContact CZ-CZ 3.86Å; F368-F444 HydrophobicContact CZ-CZ 3.86Å; A383-F444 HydrophobicContact CB-CE2 4.32Å; A383-F444 HydrophobicContact CB-CZ 3.79Å; L394-F444 HydrophobicContact CD1-CD1 3.63Å; L394-F444 HydrophobicContact CD1-CE1 3.73Å; I432-F444 CarbonylContact C-O 3.6Å; I432-F444 VanDerWaalsContact CA-O 3.24Å; I432-F444 WeakPolarHBondContact CA-O 3.41Å; I433-F444 HydrophobicContact CB-CB 4.29Å; I433-F444 HydrophobicContact CG2-CD2 4.24Å; I433-F444 PolarHBondContact N-O 2.94Å; I433-F444 PolarHBondContact O-N 3.4Å; A435-F444 HydrophobicContact CB-CE2 3.99Å; F442-F444 HydrophobicContact CB-CD2 4.43Å; F442-F444 HydrophobicContact CB-CE1 4.43Å; F442-F444 HydrophobicContact CB-CE2 3.54Å; F442-F444 HydrophobicContact CB-CZ 3.54Å; F442-F444 HydrophobicContact CG-CZ 4.27Å
445N86.2Confident66.5Low4 Ų451.3 Ų51.32%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-125.7142.9173.369.31.3000112.3F12 K13 R14 T68 N431 I432 R447F12-N445 CarbonylContact C-O 3.58Å; F12-N445 VanDerWaalsContact CA-O 3.26Å; F12-N445 WeakPolarHBondContact CA-O 3.41Å; K13-N445 PolarHBondContact N-O 3.07Å; R14-N445 WeakPolarHBondContact CB-OD1 3.23Å; R14-N445 PolarHBondContact N-OD1 3.39Å; R14-N445 PolarHBondContact O-N 3.44Å; T68-N445 HydrophobicContact CG2-CB 3.85Å; T68-N445 WeakPolarHBondContact CG2-ND2 3.43Å; T68-N445 PolarHBondContact OG1-ND2 3.26Å; N431-N445 CarbonylContact O-C 3.49Å; N431-N445 WeakPolarHBondContact O-CA 3.29Å; I432-N445 HydrophobicContact CG1-CB 4.3Å; N445-R447 PolarHBondContact O-N 3.01Å
446D77.3Confident63.3Low40 Ų4063.8 Ų63.821%0.21436%0.355CS..EExtended strand (participates in β ladder)trans-81.7105.6165.6179.925.1000108.8P10 V11 N431 G448P10-D446 VanDerWaalsContact CA-OD2 3.31Å; P10-D446 WeakPolarHBondContact CA-OD2 3.5Å; P10-D446 HydrophobicContact CB-CB 3.85Å; V11-D446 VanDerWaalsContact N-CG 3.32Å; V11-D446 PolarHBondContact N-OD1 3.04Å; V11-D446 WeakPolarHBondContact O-CA 3.46Å; N431-D446 HydrophobicContact CB-CB 3.48Å; N431-D446 VanDerWaalsContact CB-CB 3.48Å; N431-D446 PolarHBondContact ND2-OD2 2.62Å; N431-D446 PolarHBondContact O-N 3.18Å; D446-G448 PolarHBondContact O-N 3.32Å; D446-G448 PolarHBondContact OD1-N 3.17Å
447R61.3Low61.7Low39 Ų3966.8 Ų66.815%0.14737%0.371CS..  trans-90.594.6159.8-79.4-179170.4-171.5-12106K13 V62 D63 N445K13-R447 HydrophobicContact CB-CB 4.33Å; K13-R447 HydrophobicContact CD-CB 3.95Å; K13-R447 WeakPolarHBondContact CD-O 3.37Å; K13-R447 WeakPolarHBondContact CE-O 3.27Å; K13-R447 HydrophobicContact CG-CB 4.31Å; K13-R447 PolarHBondContact NZ-O 2.88Å; V62-R447 VanDerWaalsContact CB-NH2 3.32Å; V62-R447 PolarHBondContact O-NH2 2.86Å; D63-R447 IonicContact OD2-CZ 3.49Å; D63-R447 VanDerWaalsContact OD2-CZ 3.24Å; D63-R447 IonicContact OD2-NH1 3.78Å; D63-R447 PolarHBondContact OD2-NH1 3.05Å; D63-R447 IonicContact OD2-NH2 3.62Å; D63-R447 PolarHBondContact OD2-NH2 2.84Å; N445-R447 PolarHBondContact O-N 3.01Å
448G47.6Very low60Low48 Ų4870.2 Ų70.250%0.49539%0.39SS..  trans-41.3144168.200000109.6D446 S450D446-G448 PolarHBondContact O-N 3.32Å; D446-G448 PolarHBondContact OD1-N 3.17Å; G448-S450 VanDerWaalsContact C-N 3.31Å; G448-S450 PolarHBondContact O-N 2.96Å
449H38.8Very low58.4Low141 Ų14171.4 Ų71.465%0.65340%0.395SS*.  trans-4792.6-173.6-74.216000111.7N451H449-N451 PolarHBondContact O-N 3.39Å
450S33.8Very low56.9Low60 Ų6075.5 Ų75.542%0.4242%0.418SS..  trans-58.8123.315351.60000103.5G448 T452G448-S450 VanDerWaalsContact C-N 3.31Å; G448-S450 PolarHBondContact O-N 2.96Å; S450-T452 PolarHBondContact O-N 3.18Å
451N30.3Very low54.7Low161 Ų16179.5 Ų79.586%0.86144%0.44SS*.  trans-58.775.3170.4-72.8-28000108.5H449 S453H449-N451 PolarHBondContact O-N 3.39Å; N451-S453 VanDerWaalsContact C-N 3.25Å; N451-S453 PolarHBondContact O-N 3.35Å
452T28.8Very low52.2Low113 Ų11384.6 Ų84.669%0.69347%0.468SS*.  trans-80.293.2154.251.50000103.2S450S450-T452 PolarHBondContact O-N 3.18Å
453S23.2Very low49.3Very low88 Ų8890.5 Ų90.562%0.61550%0.501SS*.  trans-41.2134.5152.641.70000107.7N451 E455N451-S453 VanDerWaalsContact C-N 3.25Å; N451-S453 PolarHBondContact O-N 3.35Å; S453-E455 VanDerWaalsContact C-N 3.34Å; S453-E455 PolarHBondContact O-N 3.06Å
454P27.3Very low46Very low120 Ų12097.2 Ų97.278%0.77954%0.539SS*.  trans-61.4108.3165.227.4-28.2000105.2E456P454-E456 PolarHBondContact O-N 3.27Å
455E25.7Very low42.4Very low188 Ų188105.3 Ų105.388%0.87958%0.583SS**  trans-63.2116.7160.1-77.3-174161.100105.7S453S453-E455 VanDerWaalsContact C-N 3.34Å; S453-E455 PolarHBondContact O-N 3.06Å
456E28.7Very low38.4Very low262 Ų262114.5 Ų114.5100%1.22464%0.635SS**  trans-58.10169.4-69-179.7146.300112.1P454P454-E456 PolarHBondContact O-N 3.27Å

Retrieved 456 of 456 residues in 311.3 ms (Link to these results)

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