A0A3Q0KP95_SCHMA Loading...

Putative cytosolic purine 5-nucleotidase

AlphaFold DB , UniProt , Accession A0A3Q0KP95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 546 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
1M35.7Very low35.9Very low236 Ų236154.5 Ų154.5100%1.16386%0.855SS**  094.70-71.7-179.3-179.300106.9
2N35.7Very low36.2Very low172 Ų172150.2 Ų150.292%0.9284%0.843SS**  trans-102.591.7174.3-104.93.6000106.9S4N2-S4 PolarHBondContact O-N 3.46Å
3T37.1Very low36.7Very low128 Ų128148 Ų14879%0.78584%0.839SS**  trans-76.896.8165.841.50000106.9E5T3-E5 PolarHBondContact O-N 3.47Å; T3-E5 VanDerWaalsContact O-N 3.08Å
4S37.6Very low37.7Very low107 Ų107144.2 Ų144.275%0.74883%0.827SS**  trans-63.1105.4165.351.40000107.8N2 L6N2-S4 PolarHBondContact O-N 3.46Å; S4-L6 PolarHBondContact O-N 3.12Å; S4-L6 VanDerWaalsContact O-N 3.12Å
5E37.8Very low38.3Very low187 Ų187144.9 Ų144.987%0.87482%0.824SS**  trans-54113.9168.9-70.7174.4158.700108.3T3 S7T3-E5 PolarHBondContact O-N 3.47Å; T3-E5 VanDerWaalsContact O-N 3.08Å; E5-S7 PolarHBondContact O-N 3.39Å
6L37.3Very low38.9Very low169 Ų169150.4 Ų150.489%0.88583%0.828SS**  trans-60.4105.5168.2-75.2154000106.7S4 E8S4-L6 PolarHBondContact O-N 3.12Å; S4-L6 VanDerWaalsContact O-N 3.12Å; L6-E8 PolarHBondContact O-N 3.5Å
7S33.4Very low40.3Very low105 Ų105147.4 Ų147.473%0.73482%0.815SS**  trans-51.3114.2169.157.20000108.6E5 C9E5-S7 PolarHBondContact O-N 3.39Å; S7-C9 PolarHBondContact O-N 3.16Å
8E34.8Very low41.9Very low179 Ų179149.6 Ų149.684%0.83682%0.817SS**  trans-48.5118.6165.9-71.5179.9153.900107.4L6 E10L6-E8 PolarHBondContact O-N 3.5Å; E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 3.45Å
9C34.1Very low44Very low124 Ų124149.1 Ų149.184%0.83881%0.807SS**  trans-60.298.8171-73.70000106.8S7 S11S7-C9 PolarHBondContact O-N 3.16Å; C9-S11 VanDerWaalsContact C-N 3.33Å; C9-S11 PolarHBondContact O-N 2.95Å
10E32.2Very low46.2Very low184 Ų184145.5 Ų145.586%0.8678%0.781SS**  trans-54.7102.3168.1-73.2-171.5156.600107E8 S12E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 3.45Å; E10-S12 PolarHBondContact O-N 3.33Å
11S39.7Very low48.4Very low109 Ų109143.9 Ų143.976%0.76277%0.768SS**  trans-52.5112.9169.157.20000106.6C9C9-S11 VanDerWaalsContact C-N 3.33Å; C9-S11 PolarHBondContact O-N 2.95Å
12S39.7Very low51Low102 Ų102133.5 Ų133.571%0.71372%0.718SS**  trans-39.1127.8178.746.90000110.1E10 S14E10-S12 PolarHBondContact O-N 3.33Å; S12-S14 PolarHBondContact O-N 3.28Å
13P42.5Very low53.7Low122 Ų122131 Ų13179%0.79270%0.699SS**  trans-61.1107.9-172.421.4-30.3000107.5I15P13-I15 PolarHBondContact O-N 3.44Å
14S50Low56.5Low95 Ų95126.7 Ų126.766%0.66467%0.67SS**  trans-49.1114.8173.163.80000106S12 R16S12-S14 PolarHBondContact O-N 3.28Å; S14-R16 VanDerWaalsContact C-N 3.34Å; S14-R16 PolarHBondContact O-N 3.29Å
15I46.9Very low59.3Low154 Ų154124.8 Ų124.879%0.7965%0.646SS**  trans-51.2105.7177.9-65.9170.2000105.4P13 V17P13-I15 PolarHBondContact O-N 3.44Å; I15-V17 HydrophobicContact CG2-CG2 4.22Å; I15-V17 PolarHBondContact O-N 2.84Å
16R48.4Very low62.1Low233 Ų233116.3 Ų116.388%0.87961%0.607SS**  trans-73.281-179.9-82.7-171.6177.8-179.22.5106.3S14 H18S14-R16 VanDerWaalsContact C-N 3.34Å; S14-R16 PolarHBondContact O-N 3.29Å; R16-H18 PolarHBondContact O-N 2.83Å
17V62.8Low65Low100 Ų100110.6 Ų110.661%0.60658%0.575SS**  trans-54.2115.4167.9179.60000105.7I15 K19I15-V17 HydrophobicContact CG2-CG2 4.22Å; I15-V17 PolarHBondContact O-N 2.84Å; V17-K19 VanDerWaalsContact C-N 3.33Å; V17-K19 PolarHBondContact O-N 3.04Å
18H69Low68Low186 Ų186106.8 Ų106.886%0.86155%0.548SS*.  trans-64.197.2178.5-17281.2000108.3R16R16-H18 PolarHBondContact O-N 2.83Å
19K80.8Confident70.9Confident141 Ų14199.4 Ų99.461%0.61351%0.514SS*.PPolyproline II helixtrans-87.1142.1178.3-67.9-178.8-178.4-179.10108.5V17V17-K19 VanDerWaalsContact C-N 3.33Å; V17-K19 PolarHBondContact O-N 3.04Å
20R88.3Confident73.9Confident77 Ų7796.8 Ų96.829%0.29149%0.486SS..PPolyproline II helixtrans-48156.7171.4-71.2-179.5175.778.9-1.7111.7T22 R25 Y457 Y458 Y462R20-T22 PolarHBondContact O-N 3.26Å; R20-R25 HydrophobicContact CB-CG 4.26Å; R20-R25 PolarHBondContact O-NE 3.44Å; R20-R25 PolarHBondContact O-NH2 2.96Å; R20-Y457 PolarHBondContact NE-O 3.23Å; R20-Y457 PolarHBondContact NH2-O 2.95Å; R20-Y457 VanDerWaalsContact NH2-O 3.15Å; R20-Y458 VanDerWaalsContact NH1-CE1 3.33Å; R20-Y462 PolarHBondContact NH1-OH 2.91Å
21E91.7Very high76.9Confident111 Ų11190.9 Ų90.952%0.51947%0.465SS..PPolyproline II helixtrans-52.2139.4168.6-69.7-176.4-156.300110.8K23 H24 R25E21-K23 HydrophobicContact CB-CG 4.28Å; E21-K23 PolarHBondContact O-N 3.22Å; E21-K23 VanDerWaalsContact O-N 3.16Å; E21-K23 WeakPolarHBondContact OE2-CE 3.46Å; E21-K23 IonicContact OE2-NZ 2.63Å; E21-K23 PolarHBondContact OE2-NZ 3.08Å; E21-H24 WeakPolarHBondContact O-CA 3.47Å; E21-H24 PolarHBondContact O-N 2.96Å; E21-H24 IonicContact OE2-CE1 2.84Å; E21-R25 PolarHBondContact O-N 3.41Å
22T91.3Very high79.6Confident19 Ų1986 Ų8612%0.11743%0.431CS..G310 helixtrans-60.4-31.9-173-45.20000112.9R20 H24 R25 F27 I366 K370R20-T22 PolarHBondContact O-N 3.26Å; T22-H24 PolarHBondContact O-N 3.37Å; T22-R25 PolarHBondContact O-N 3.02Å; T22-F27 HydrophobicContact CG2-CZ 4.33Å; T22-I366 HydrophobicContact CG2-CD1 4.07Å; T22-I366 HydrophobicContact CG2-CG1 4.45Å; T22-I366 HydrophobicContact CG2-CG2 3.42Å; T22-I366 VanDerWaalsContact CG2-CG2 3.42Å; T22-K370 VanDerWaalsContact OG1-CE 3.29Å; T22-K370 WeakPolarHBondContact OG1-CE 3.25Å; T22-K370 PolarHBondContact OG1-NZ 3.05Å
23K93.2Very high82.2Confident119 Ų11984 Ų8452%0.51741%0.41SS..G310 helixtrans-65.7-17174.377.1-170.6-164.1-146.80113.5E21 F450 N454E21-K23 HydrophobicContact CB-CG 4.28Å; E21-K23 PolarHBondContact O-N 3.22Å; E21-K23 VanDerWaalsContact O-N 3.16Å; E21-K23 WeakPolarHBondContact OE2-CE 3.46Å; E21-K23 IonicContact OE2-NZ 2.63Å; E21-K23 PolarHBondContact OE2-NZ 3.08Å; K23-F450 WeakPolarHBondContact O-CE1 3.39Å; K23-F450 WeakPolarHBondContact O-CZ 3.35Å; K23-N454 PolarHBondContact O-ND2 3.34Å
24H95.2Very high84.8Confident38 Ų3878.3 Ų78.318%0.17637%0.373CS..G310 helixtrans-103.74.5177.9-59.1157.7000112.6E21 T22 Y457 Y458E21-H24 WeakPolarHBondContact O-CA 3.47Å; E21-H24 PolarHBondContact O-N 2.96Å; E21-H24 IonicContact OE2-CE1 2.84Å; T22-H24 PolarHBondContact O-N 3.37Å; H24-Y457 HydrophobicContact CB-CD1 4.25Å; H24-Y457 HydrophobicContact CB-CD2 3.63Å; H24-Y457 HydrophobicContact CB-CE2 4.11Å; H24-Y457 HydrophobicContact CB-CG 3.72Å; H24-Y457 AromaticContact CD2-CD2 3.78Å; H24-Y457 AromaticContact CD2-CE1 3.59Å; H24-Y457 AromaticContact CD2-CE2 3.32Å; H24-Y457 WeakPolarHBondContact CD2-CE2 3.5Å; H24-Y457 AromaticContact CD2-CZ 3.2Å; H24-Y457 AromaticContact CE1-CE1 3.93Å; H24-Y457 AromaticContact CG-CD1 3.89Å; H24-Y457 AromaticContact CG-CD2 3.82Å; H24-Y457 AromaticContact CG-CE1 3.91Å; H24-Y457 AromaticContact CG-CE2 3.86Å; H24-Y457 AromaticContact CG-CG 3.85Å; H24-Y457 AromaticContact CG-CZ 3.9Å; H24-Y457 AromaticContact NE2-CE1 3.63Å; H24-Y457 AromaticContact NE2-CZ 3.5Å; H24-Y457 PolarHBondContact NE2-OH 2.95Å; H24-Y458 WeakPolarHBondContact O-CE2 3.45Å
25R95.5Very high86.9Confident66 Ų6678.6 Ų78.625%0.24937%0.367CS..PPolyproline II helixtrans-85.5141.9-173.7-70.2-177.7-165.7172.75.8112.1R20 E21 T22 F27 N454 Y458R20-R25 HydrophobicContact CB-CG 4.26Å; R20-R25 PolarHBondContact O-NE 3.44Å; R20-R25 PolarHBondContact O-NH2 2.96Å; E21-R25 PolarHBondContact O-N 3.41Å; T22-R25 PolarHBondContact O-N 3.02Å; R25-F27 HydrophobicContact CB-CE2 4.35Å; R25-F27 HydrophobicContact CB-CZ 4.36Å; R25-N454 PolarHBondContact O-ND2 2.88Å; R25-Y458 WeakPolarHBondContact CA-OH 3.35Å
26I97.7Very high89.2Confident9 Ų977.2 Ų77.25%0.04636%0.355CS..PPolyproline II helixtrans-103.5130.6156.8-62.3175.8000106.5Y356 L447 N454 L455 Y458 F464I26-Y356 HydrophobicContact CD1-CE1 4.13Å; I26-Y356 HydrophobicContact CD1-CE2 4.5Å; I26-Y356 WeakPolarHBondContact CD1-OH 3.28Å; I26-Y356 HydrophobicContact CG1-CE2 4.39Å; I26-Y356 WeakPolarHBondContact CG1-OH 3.46Å; I26-Y356 HydrophobicContact CG2-CD2 4.49Å; I26-Y356 HydrophobicContact CG2-CE2 3.97Å; I26-L447 HydrophobicContact CG2-CB 3.81Å; I26-L447 HydrophobicContact CG2-CD1 4.27Å; I26-L447 HydrophobicContact CG2-CD2 4.21Å; I26-L447 HydrophobicContact CG2-CG 4.32Å; I26-N454 HydrophobicContact CD1-CB 4.24Å; I26-N454 HydrophobicContact CG1-CB 3.73Å; I26-L455 HydrophobicContact CD1-CD2 3.7Å; I26-L455 HydrophobicContact CD1-CG 3.92Å; I26-Y458 HydrophobicContact CB-CE2 4.13Å; I26-Y458 HydrophobicContact CD1-CD2 3.92Å; I26-Y458 HydrophobicContact CD1-CE2 3.83Å; I26-Y458 HydrophobicContact CG1-CD2 4.36Å; I26-Y458 HydrophobicContact CG1-CE2 3.75Å; I26-Y458 PolarHBondContact N-OH 2.88Å; I26-F464 HydrophobicContact CB-CE1 3.84Å; I26-F464 HydrophobicContact CB-CZ 4.13Å; I26-F464 HydrophobicContact CD1-CE1 4.49Å; I26-F464 HydrophobicContact CD1-CZ 3.93Å; I26-F464 HydrophobicContact CG2-CE1 4.02Å; I26-F464 HydrophobicContact CG2-CZ 4.21Å
27F97.1Very high91.5Very high50 Ų5066.7 Ų66.722%0.21932%0.316CS..EExtended strand (participates in β ladder)trans-91.6147.8177.6-61.4-90.3000109.8T22 R25 L362 I366 L447 Y448T22-F27 HydrophobicContact CG2-CZ 4.33Å; R25-F27 HydrophobicContact CB-CE2 4.35Å; R25-F27 HydrophobicContact CB-CZ 4.36Å; F27-L362 HydrophobicContact CD2-CD2 3.77Å; F27-L362 HydrophobicContact CE2-CD2 3.76Å; F27-L362 HydrophobicContact CE2-CG 4.48Å; F27-I366 HydrophobicContact CE2-CD1 3.64Å; F27-I366 HydrophobicContact CZ-CD1 3.56Å; F27-I366 HydrophobicContact CZ-CG1 4.37Å; F27-L447 CarbonylContact O-C 3.48Å; F27-L447 VanDerWaalsContact O-CA 3.3Å; F27-L447 WeakPolarHBondContact O-CA 3.27Å; F27-Y448 HydrophobicContact CB-CD1 3.84Å; F27-Y448 HydrophobicContact CB-CD2 4.05Å; F27-Y448 HydrophobicContact CB-CE1 3.4Å; F27-Y448 HydrophobicContact CB-CE2 3.62Å; F27-Y448 HydrophobicContact CB-CG 4.15Å; F27-Y448 HydrophobicContact CD2-CD2 4.42Å; F27-Y448 HydrophobicContact CD2-CE2 4.09Å; F27-Y448 HydrophobicContact CG-CE1 4.49Å; F27-Y448 AromaticContact CG-CE2 3.94Å; F27-Y448 HydrophobicContact CG-CE2 3.94Å; F27-Y448 AromaticContact CG-CZ 3.92Å; F27-Y448 PolarHBondContact N-O 2.8Å; F27-Y448 PolarHBondContact O-N 3.27Å
28V97.1Very high93.2Very high25 Ų2567.2 Ų67.215%0.15231%0.311CS..EExtended strand (participates in β ladder)trans-127.9118.1-164.2-171.70000109.2R30 L447 F464 A466V28-R30 WeakPolarHBondContact CG1-O 3.45Å; V28-L447 HydrophobicContact CB-CD2 4.19Å; V28-L447 HydrophobicContact CG1-CD2 3.91Å; V28-L447 HydrophobicContact CG2-CD2 3.89Å; V28-F464 HydrophobicContact CG1-CB 3.92Å; V28-F464 HydrophobicContact CG2-CB 3.84Å; V28-F464 HydrophobicContact CG2-CD1 3.46Å; V28-F464 VanDerWaalsContact CG2-CD1 3.46Å; V28-F464 HydrophobicContact CG2-CE1 4.4Å; V28-F464 HydrophobicContact CG2-CG 4.02Å; V28-A466 HydrophobicContact CG1-CB 4.09Å
29N96.8Very high94.5Very high24 Ų2459.1 Ų59.113%0.12827%0.273CS..SBendtrans-98.4-28.7168.9-60.2-35.5000111.5V441 A445 D446 Y448 A466N29-V441 PolarHBondContact ND2-O 3.18Å; N29-V441 VanDerWaalsContact ND2-O 3.1Å; N29-A445 VanDerWaalsContact CB-O 3.32Å; N29-A445 WeakPolarHBondContact CB-O 3.23Å; N29-A445 PolarHBondContact ND2-O 3.26Å; N29-D446 PolarHBondContact N-O 3.41Å; N29-Y448 WeakPolarHBondContact OD1-CE1 3.29Å; N29-A466 WeakPolarHBondContact O-CB 3.33Å
30R95.3Very high95.4Very high69 Ų6952.4 Ų52.426%0.2624%0.244SC..SBendtrans-132.6137.7176.7-74.683.9-162.6167.37.7110.6V28 L32 L442 R443 A445 D446V28-R30 WeakPolarHBondContact CG1-O 3.45Å; R30-L32 PolarHBondContact O-N 2.96Å; R30-L442 PolarHBondContact NH1-O 3.4Å; R30-L442 PolarHBondContact NH2-O 3.08Å; R30-R443 PolarHBondContact NH1-O 2.88Å; R30-R443 PolarHBondContact NH2-O 2.68Å; R30-A445 PolarHBondContact NH1-O 2.93Å; R30-D446 HydrophobicContact CB-CB 4.03Å; R30-D446 WeakPolarHBondContact CB-OD1 3.45Å; R30-D446 WeakPolarHBondContact CD-OD1 3.22Å; R30-D446 PolarHBondContact N-O 2.96Å; R30-D446 VanDerWaalsContact N-O 3.09Å
31S96.4Very high95.8Very high60 Ų6048.8 Ų48.842%0.4223%0.23SC..  trans-63.3135.7178.1-62.10000111F464 A466S31-F464 CarbonylContact C-O 3.59Å; S31-F464 WeakPolarHBondContact CA-O 3.46Å; S31-F464 WeakPolarHBondContact CB-O 3.4Å; S31-A466 PolarHBondContact OG-N 3.36Å
32L95.4Very high96.1Very high6 Ų643.5 Ų43.53%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-146.3135.8-175.7-178.5149.3000109.4R30 L34 I37 L334 R354 L447 M463 F464R30-L32 PolarHBondContact O-N 2.96Å; L32-L34 HydrophobicContact CD2-CD2 3.69Å; L32-L34 HydrophobicContact CD2-CG 4.15Å; L32-I37 HydrophobicContact CD1-CD1 4.29Å; L32-I37 HydrophobicContact CD2-CD1 4.43Å; L32-I37 HydrophobicContact CD2-CG1 4.12Å; L32-I37 HydrophobicContact CG-CD1 4.48Å; L32-L334 HydrophobicContact CD1-CD1 3.9Å; L32-R354 HydrophobicContact CD1-CB 3.49Å; L32-R354 VanDerWaalsContact CD1-CB 3.49Å; L32-R354 HydrophobicContact CD1-CG 3.57Å; L32-L447 HydrophobicContact CD1-CD1 4.39Å; L32-L447 HydrophobicContact CD2-CD1 4.44Å; L32-M463 CarbonylContact O-C 3.3Å; L32-F464 HydrophobicContact CB-CB 4.41Å; L32-F464 HydrophobicContact CD2-CD2 4.13Å; L32-F464 PolarHBondContact N-O 2.9Å; L32-F464 WeakPolarHBondContact O-CB 3.28Å; L32-F464 PolarHBondContact O-N 3.25Å
33Q95.6Very high96.5Very high60 Ų6043.1 Ų43.128%0.2820%0.202SC..EExtended strand (participates in β ladder)trans-105.9119.2175.2-57.8177.9-3.100108.1D35 K36 M463Q33-D35 VanDerWaalsContact C-N 3.27Å; Q33-D35 WeakPolarHBondContact CB-OD1 3.43Å; Q33-D35 PolarHBondContact O-N 2.83Å; Q33-K36 HydrophobicContact CB-CD 4.23Å; Q33-K36 HydrophobicContact CB-CG 4.31Å; Q33-K36 PolarHBondContact O-N 2.82Å; Q33-M463 HydrophobicContact CG-CB 4.37Å; Q33-M463 HydrophobicContact CG-CE 4.46Å; Q33-M463 HydrophobicContact CG-CG 3.94Å; Q33-M463 HydrophobicContact CG-SD 4.4Å
34L96.3Very high96.7Very high2 Ų237.4 Ų37.41%0.0118%0.178CC..G310 helixtrans-68.4-25.4-174.8-77.4-178.5000113L32 K36 I37 F40 L334 L460 Y462 F464L32-L34 HydrophobicContact CD2-CD2 3.69Å; L32-L34 HydrophobicContact CD2-CG 4.15Å; L34-K36 PolarHBondContact O-N 3.35Å; L34-I37 WeakPolarHBondContact O-CB 3.48Å; L34-I37 PolarHBondContact O-N 3.22Å; L34-I37 VanDerWaalsContact O-N 3.1Å; L34-F40 HydrophobicContact CD2-CE1 4.24Å; L34-F40 HydrophobicContact CD2-CZ 4.3Å; L34-L334 HydrophobicContact CD2-CD2 4.15Å; L34-L460 CarbonylContact C-O 3.5Å; L34-L460 WeakPolarHBondContact CB-O 3.39Å; L34-L460 HydrophobicContact CD1-CD2 4.34Å; L34-Y462 PolarHBondContact N-O 2.92Å; L34-F464 HydrophobicContact CD1-CE2 3.81Å; L34-F464 HydrophobicContact CD2-CE2 4.05Å; L34-F464 HydrophobicContact CG-CD2 4.23Å; L34-F464 HydrophobicContact CG-CE2 3.8Å
35D94.4Very high96.8Very high102 Ų10236.2 Ų36.255%0.54517%0.173SC..G310 helixtrans-70.7-20.5179.457-15.8000112.5Q33 L460Q33-D35 VanDerWaalsContact C-N 3.27Å; Q33-D35 WeakPolarHBondContact CB-OD1 3.43Å; Q33-D35 PolarHBondContact O-N 2.83Å; D35-L460 WeakPolarHBondContact CA-O 3.42Å; D35-L460 PolarHBondContact N-O 3.48Å
36K95.2Very high96.9Very high124 Ų12433.3 Ų33.354%0.53916%0.162SC..G310 helixtrans-84.1-12.2172.8-66.9-177.2172.1163.30113.2Q33 L34Q33-K36 HydrophobicContact CB-CD 4.23Å; Q33-K36 HydrophobicContact CB-CG 4.31Å; Q33-K36 PolarHBondContact O-N 2.82Å; L34-K36 PolarHBondContact O-N 3.35Å
37I97.2Very high96.9Very high12 Ų1232.9 Ų32.96%0.06216%0.16CC..  trans-82.7119.7177.6-55.9-56.6000108.8L32 L34 F39 F40 K331 L334 R354L32-I37 HydrophobicContact CD1-CD1 4.29Å; L32-I37 HydrophobicContact CD2-CD1 4.43Å; L32-I37 HydrophobicContact CD2-CG1 4.12Å; L32-I37 HydrophobicContact CG-CD1 4.48Å; L34-I37 WeakPolarHBondContact O-CB 3.48Å; L34-I37 PolarHBondContact O-N 3.22Å; L34-I37 VanDerWaalsContact O-N 3.1Å; I37-F39 WeakPolarHBondContact CG2-O 3.36Å; I37-F40 HydrophobicContact CB-CE2 4.07Å; I37-F40 HydrophobicContact CB-CZ 3.97Å; I37-F40 HydrophobicContact CG2-CD1 4.4Å; I37-F40 HydrophobicContact CG2-CD2 3.91Å; I37-F40 HydrophobicContact CG2-CE1 4.11Å; I37-F40 HydrophobicContact CG2-CE2 3.55Å; I37-F40 HydrophobicContact CG2-CG 4.31Å; I37-F40 HydrophobicContact CG2-CZ 3.67Å; I37-K331 WeakPolarHBondContact CD1-O 3.36Å; I37-L334 HydrophobicContact CD1-CB 4.18Å; I37-L334 HydrophobicContact CG1-CB 4.2Å; I37-L334 HydrophobicContact CG2-CB 3.66Å; I37-R354 HydrophobicContact CD1-CB 4.4Å; I37-R354 HydrophobicContact CD1-CG 4.08Å
38K97.2Very high96.9Very high112 Ų11231 Ų3149%0.48715%0.151SC..  trans-97.4-29.9177.7-59177-166.51530111.8K234 D332K38-K234 PolarHBondContact O-N 3.31Å; K38-D332 HydrophobicContact CB-CB 4.41Å; K38-D332 HydrophobicContact CD-CB 4.25Å; K38-D332 HydrophobicContact CG-CB 4.44Å; K38-D332 PolarHBondContact N-O 3.35Å; K38-D332 VanDerWaalsContact NZ-CG 3.31Å; K38-D332 IonicContact NZ-OD1 2.82Å; K38-D332 PolarHBondContact NZ-OD1 3.2Å; K38-D332 IonicContact NZ-OD2 2.77Å; K38-D332 PolarHBondContact NZ-OD2 3.06Å
39F98Very high97Very high15 Ų1529.8 Ų29.87%0.06614%0.144CC..EExtended strand (participates in β ladder)trans-125.6126-176.3-54.6-91.2000110.8I37 K234 F236 Y272 I326 A328 D332 V333 L334I37-F39 WeakPolarHBondContact CG2-O 3.36Å; F39-K234 CarbonylContact C-O 3.17Å; F39-K234 VanDerWaalsContact CA-O 3.31Å; F39-K234 WeakPolarHBondContact CA-O 3.32Å; F39-K234 HydrophobicContact CD1-CB 3.52Å; F39-K234 HydrophobicContact CD1-CG 4.22Å; F39-K234 HydrophobicContact CE1-CB 3.84Å; F39-K234 HydrophobicContact CE1-CG 4.02Å; F39-K234 HydrophobicContact CG-CB 4.43Å; F39-F236 HydrophobicContact CB-CD1 4.32Å; F39-F236 HydrophobicContact CB-CE1 3.99Å; F39-Y272 HydrophobicContact CD1-CE2 4.5Å; F39-Y272 HydrophobicContact CE1-CE2 4.29Å; F39-I326 HydrophobicContact CD1-CD1 3.82Å; F39-I326 HydrophobicContact CD1-CG1 4.49Å; F39-I326 HydrophobicContact CE1-CB 4.15Å; F39-I326 HydrophobicContact CE1-CD1 4Å; F39-I326 HydrophobicContact CE1-CG1 4.16Å; F39-I326 HydrophobicContact CG-CD1 4.27Å; F39-I326 HydrophobicContact CZ-CG1 4.45Å; F39-I326 VanDerWaalsContact CZ-O 3.27Å; F39-I326 WeakPolarHBondContact CZ-O 3.29Å; F39-A328 HydrophobicContact CD2-CB 3.7Å; F39-A328 HydrophobicContact CE2-CB 3.63Å; F39-A328 HydrophobicContact CG-CB 4.33Å; F39-A328 HydrophobicContact CZ-CB 4.18Å; F39-D332 HydrophobicContact CD2-CB 4.24Å; F39-D332 PolarHBondContact N-O 2.99Å; F39-V333 HydrophobicContact CB-CG1 4.45Å; F39-V333 HydrophobicContact CB-CG2 4.15Å; F39-V333 HydrophobicContact CD2-CG2 4.35Å; F39-V333 WeakPolarHBondContact O-CA 3.33Å; F39-L334 PolarHBondContact O-N 3.31Å
40F98.2Very high97Very high1 Ų129.9 Ų29.90%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-106.2112.6171.1-69.6-100.6000108.5L34 I37 F42 L228 A233 K234 V235 F236 L334 L460L34-F40 HydrophobicContact CD2-CE1 4.24Å; L34-F40 HydrophobicContact CD2-CZ 4.3Å; I37-F40 HydrophobicContact CB-CE2 4.07Å; I37-F40 HydrophobicContact CB-CZ 3.97Å; I37-F40 HydrophobicContact CG2-CD1 4.4Å; I37-F40 HydrophobicContact CG2-CD2 3.91Å; I37-F40 HydrophobicContact CG2-CE1 4.11Å; I37-F40 HydrophobicContact CG2-CE2 3.55Å; I37-F40 HydrophobicContact CG2-CG 4.31Å; I37-F40 HydrophobicContact CG2-CZ 3.67Å; F40-F42 HydrophobicContact CB-CE2 3.76Å; F40-F42 HydrophobicContact CB-CZ 4.3Å; F40-L228 HydrophobicContact CB-CD1 4.15Å; F40-L228 HydrophobicContact CD1-CD1 4.32Å; F40-L228 HydrophobicContact CD1-CD2 3.93Å; F40-L228 HydrophobicContact CD2-CD2 3.99Å; F40-L228 HydrophobicContact CE1-CD2 3.86Å; F40-L228 HydrophobicContact CE2-CD2 3.94Å; F40-L228 HydrophobicContact CG-CD1 4.15Å; F40-L228 HydrophobicContact CG-CD2 3.99Å; F40-L228 HydrophobicContact CZ-CD2 3.88Å; F40-A233 HydrophobicContact CD2-CB 3.66Å; F40-A233 HydrophobicContact CE2-CB 3.63Å; F40-K234 PolarHBondContact N-O 3.09Å; F40-V235 CarbonylContact O-C 3.55Å; F40-V235 WeakPolarHBondContact O-CA 3.12Å; F40-F236 PolarHBondContact O-N 3.1Å; F40-L334 HydrophobicContact CD1-CB 4.31Å; F40-L334 HydrophobicContact CD1-CD2 4.06Å; F40-L334 HydrophobicContact CE1-CB 4.45Å; F40-L334 HydrophobicContact CE1-CD2 3.78Å; F40-L460 HydrophobicContact CZ-CD2 4.2Å
41G97.6Very high97.1Very high0 Ų027.1 Ų27.10%013%0.134CC..EExtended strand (participates in β ladder)trans-103.7141.5176.900000111.2F236 L334 Y335 V336G41-F236 CarbonylContact C-O 3.41Å; G41-F236 VanDerWaalsContact CA-CE2 3.41Å; G41-F236 WeakPolarHBondContact CA-O 3.45Å; G41-L334 PolarHBondContact N-O 3.09Å; G41-Y335 CarbonylContact O-C 3.37Å; G41-Y335 WeakPolarHBondContact O-CA 3.45Å; G41-Y335 WeakPolarHBondContact O-CD2 3.32Å; G41-V336 PolarHBondContact O-N 3.22Å
42F98.5Very high97.2Very high0 Ų027.2 Ų27.20%013%0.126CC..EExtended strand (participates in β ladder)trans-130.1138.4179.7-64.5-92.1000110.7F40 T47 L48 L225 L228 V235 F236 L238 V336 C452F40-F42 HydrophobicContact CB-CE2 3.76Å; F40-F42 HydrophobicContact CB-CZ 4.3Å; F42-T47 HydrophobicContact CD1-CG2 4.34Å; F42-L48 HydrophobicContact CB-CD1 3.66Å; F42-L48 HydrophobicContact CB-CD2 4.05Å; F42-L48 HydrophobicContact CB-CG 3.81Å; F42-L48 HydrophobicContact CD1-CD2 3.7Å; F42-L48 HydrophobicContact CD1-CG 4.26Å; F42-L48 HydrophobicContact CE1-CD2 4.31Å; F42-L48 HydrophobicContact CG-CD1 4.29Å; F42-L48 HydrophobicContact CG-CD2 3.88Å; F42-L48 HydrophobicContact CG-CG 4.21Å; F42-L225 HydrophobicContact CE2-CD2 4.3Å; F42-L228 HydrophobicContact CE2-CD1 3.92Å; F42-L228 HydrophobicContact CZ-CD1 3.82Å; F42-V235 HydrophobicContact CD2-CG1 4.07Å; F42-V235 HydrophobicContact CE2-CG1 3.98Å; F42-F236 PolarHBondContact N-O 3.42Å; F42-L238 PolarHBondContact O-N 3.36Å; F42-V336 CarbonylContact C-O 3.52Å; F42-V336 WeakPolarHBondContact CA-O 3.47Å; F42-V336 HydrophobicContact CD1-CB 3.62Å; F42-V336 HydrophobicContact CD1-CG1 4.14Å; F42-V336 HydrophobicContact CD1-CG2 3.75Å; F42-V336 HydrophobicContact CE1-CB 3.91Å; F42-V336 HydrophobicContact CE1-CG1 4.27Å; F42-V336 HydrophobicContact CE1-CG2 3.55Å; F42-V336 HydrophobicContact CG-CB 4.39Å; F42-V336 HydrophobicContact CG-CG2 4.5Å; F42-V336 HydrophobicContact CZ-CG2 4.16Å; F42-C452 HydrophobicContact CE1-CB 4.2Å
43D98Very high97.2Very high11 Ų1130.7 Ų30.76%0.05915%0.152CC..  trans-70.1160.1153.2-161.59.1000110.7T47 L48 T239 K279 V336D43-T47 HydrophobicContact CB-CG2 4.41Å; D43-T47 VanDerWaalsContact O-CB 3.3Å; D43-T47 WeakPolarHBondContact O-CB 3.36Å; D43-T47 WeakPolarHBondContact O-CG2 3.26Å; D43-L48 WeakPolarHBondContact O-CG 3.4Å; D43-T239 WeakPolarHBondContact OD1-CA 3.44Å; D43-T239 WeakPolarHBondContact OD1-CB 3.49Å; D43-T239 PolarHBondContact OD1-OG1 3.07Å; D43-K279 IonicContact OD1-NZ 3.79Å; D43-K279 PolarHBondContact OD1-NZ 2.63Å; D43-K279 VanDerWaalsContact OD1-NZ 3.08Å; D43-K279 IonicContact OD2-NZ 2.94Å; D43-K279 PolarHBondContact OD2-NZ 2.76Å; D43-V336 PolarHBondContact N-O 3.11Å
44M98.3Very high97.3Very high0 Ų029.9 Ų29.90%015%0.151CC..THydrogen-bonded Turntrans-85.4-70.1174.7-170.9179.776.200110.9T47 L48 A49 L237 T239 Y245 S246 I249 M250M44-T47 PolarHBondContact O-N 3.23Å; M44-L48 PolarHBondContact O-N 3.4Å; M44-A49 HydrophobicContact CG-CB 4.23Å; M44-A49 PolarHBondContact O-N 2.74Å; M44-L237 HydrophobicContact CB-CD1 4.01Å; M44-T239 HydrophobicContact CB-CG2 4.25Å; M44-Y245 HydrophobicContact CE-CD1 3.84Å; M44-Y245 HydrophobicContact CE-CE1 3.88Å; M44-S246 PolarHBondContact SD-OG 3.05Å; M44-S246 VanDerWaalsContact SD-OG 3.41Å; M44-I249 HydrophobicContact CE-CB 4.36Å; M44-I249 HydrophobicContact CE-CG2 4.36Å; M44-I249 HydrophobicContact CG-CG2 4.44Å; M44-I249 HydrophobicContact SD-CB 4.22Å; M44-I249 HydrophobicContact SD-CG2 4.11Å; M44-M250 HydrophobicContact CG-CG 4.46Å; M44-M250 HydrophobicContact CG-SD 3.8Å; M44-M250 HydrophobicContact SD-CG 3.91Å; M44-M250 HydrophobicContact SD-SD 4.03Å
45D97.1Very high97.4Very high12 Ų1233.7 Ų33.76%0.06417%0.169CC..BIsolated β-bridgetrans-65.3134.2-170.2-64.7-61.9000111.1T47 Y51 F147 S241D45-T47 PolarHBondContact O-N 2.96Å; D45-Y51 HydrophobicContact CB-CE2 4.11Å; D45-Y51 PolarHBondContact OD1-OH 3.3Å; D45-F147 HydrophobicContact CB-CE2 4.23Å; D45-F147 HydrophobicContact CB-CZ 4.02Å; D45-S241 PolarHBondContact OD2-OG 2.82Å
46Y96.9Very high97.6Very high6 Ų629 Ų292%0.02414%0.144CC..THydrogen-bonded Turntrans54.211.5-175.5-68.6-70.2000116A49 Q50 Y51 Y56 L146 F147Y46-A49 WeakPolarHBondContact CA-O 3.48Å; Y46-A49 PolarHBondContact N-O 2.94Å; Y46-Q50 PolarHBondContact O-NE2 2.82Å; Y46-Q50 PolarHBondContact O-OE1 2.93Å; Y46-Y51 AromaticContact CD1-CD2 3.88Å; Y46-Y51 HydrophobicContact CD1-CD2 3.88Å; Y46-Y51 HydrophobicContact CD2-CD2 4.12Å; Y46-Y51 HydrophobicContact CD2-CE2 4.43Å; Y46-Y51 AromaticContact CE1-CD2 3.8Å; Y46-Y51 HydrophobicContact CE1-CD2 3.8Å; Y46-Y51 HydrophobicContact CE1-CG 4.31Å; Y46-Y51 HydrophobicContact CE2-CD2 4.02Å; Y46-Y51 HydrophobicContact CE2-CE2 4.49Å; Y46-Y51 HydrophobicContact CG-CD2 4.07Å; Y46-Y51 AromaticContact CZ-CD2 3.88Å; Y46-Y56 HydrophobicContact CE2-CE1 4.39Å; Y46-Y56 WeakPolarHBondContact OH-CD1 3.44Å; Y46-L146 HydrophobicContact CD1-CB 4.04Å; Y46-L146 HydrophobicContact CD1-CD1 3.34Å; Y46-L146 HydrophobicContact CD1-CG 4.27Å; Y46-L146 HydrophobicContact CD2-CB 3.81Å; Y46-L146 HydrophobicContact CD2-CD1 4.11Å; Y46-L146 HydrophobicContact CE1-CB 3.76Å; Y46-L146 HydrophobicContact CE1-CD1 3.82Å; Y46-L146 HydrophobicContact CE1-CG 4.32Å; Y46-L146 HydrophobicContact CE2-CB 3.54Å; Y46-L146 HydrophobicContact CG-CB 4.04Å; Y46-L146 HydrophobicContact CG-CD1 3.47Å; Y46-L146 VanDerWaalsContact CG-CD1 3.47Å; Y46-L146 HydrophobicContact CG-CG 4.37Å; Y46-L146 VanDerWaalsContact CZ-CB 3.49Å; Y46-F147 HydrophobicContact CD2-CD2 4.06Å; Y46-F147 HydrophobicContact CD2-CE1 4.39Å; Y46-F147 AromaticContact CD2-CE2 3.56Å; Y46-F147 HydrophobicContact CD2-CE2 3.56Å; Y46-F147 AromaticContact CD2-CZ 3.75Å; Y46-F147 HydrophobicContact CD2-CZ 3.75Å; Y46-F147 AromaticContact CE2-CD1 3.92Å; Y46-F147 HydrophobicContact CE2-CD1 3.92Å; Y46-F147 AromaticContact CE2-CD2 3.83Å; Y46-F147 HydrophobicContact CE2-CD2 3.83Å; Y46-F147 AromaticContact CE2-CE1 3.69Å; Y46-F147 HydrophobicContact CE2-CE1 3.69Å; Y46-F147 AromaticContact CE2-CE2 3.59Å; Y46-F147 HydrophobicContact CE2-CE2 3.59Å; Y46-F147 AromaticContact CE2-CG 3.99Å; Y46-F147 HydrophobicContact CE2-CG 3.99Å; Y46-F147 AromaticContact CE2-CZ 3.52Å; Y46-F147 HydrophobicContact CE2-CZ 3.52Å
47T98.1Very high97.7Very high0 Ų023.5 Ų23.50%012%0.12CC..THydrogen-bonded Turntrans-122-69.6-179.3-65.60000111F42 D43 M44 D45 V336 G337 D338 I358 C452F42-T47 HydrophobicContact CD1-CG2 4.34Å; D43-T47 HydrophobicContact CB-CG2 4.41Å; D43-T47 VanDerWaalsContact O-CB 3.3Å; D43-T47 WeakPolarHBondContact O-CB 3.36Å; D43-T47 WeakPolarHBondContact O-CG2 3.26Å; M44-T47 PolarHBondContact O-N 3.23Å; D45-T47 PolarHBondContact O-N 2.96Å; T47-V336 HydrophobicContact CG2-CB 4.29Å; T47-V336 HydrophobicContact CG2-CG1 3.94Å; T47-G337 WeakPolarHBondContact OG1-CA 3.28Å; T47-D338 PolarHBondContact OG1-N 2.94Å; T47-I358 HydrophobicContact CG2-CG1 4.29Å; T47-C452 PolarHBondContact O-SG 2.98Å
48L98.4Very high97.8Very high9 Ų926.6 Ų26.65%0.04713%0.134CC..THydrogen-bonded Turntrans-86.4-46.4171-66.4173.2000110.4F42 D43 M44 L221 L225 L237 M250 I253 F270F42-L48 HydrophobicContact CB-CD1 3.66Å; F42-L48 HydrophobicContact CB-CD2 4.05Å; F42-L48 HydrophobicContact CB-CG 3.81Å; F42-L48 HydrophobicContact CD1-CD2 3.7Å; F42-L48 HydrophobicContact CD1-CG 4.26Å; F42-L48 HydrophobicContact CE1-CD2 4.31Å; F42-L48 HydrophobicContact CG-CD1 4.29Å; F42-L48 HydrophobicContact CG-CD2 3.88Å; F42-L48 HydrophobicContact CG-CG 4.21Å; D43-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 3.4Å; L48-L221 HydrophobicContact CB-CD2 4.45Å; L48-L221 HydrophobicContact CD2-CD1 3.72Å; L48-L225 HydrophobicContact CD2-CD2 4.44Å; L48-L237 HydrophobicContact CD1-CD1 3.64Å; L48-M250 HydrophobicContact CD1-CE 4.24Å; L48-I253 HydrophobicContact CB-CD1 4.34Å; L48-F270 HydrophobicContact CD1-CE1 4.12Å; L48-F270 HydrophobicContact CD1-CZ 3.95Å
49A98.1Very high97.9Very high0 Ų022 Ų220%012%0.115CC..BIsolated β-bridgetrans-90.9103.4175.300000109.1M44 Y46 I249 I253M44-A49 HydrophobicContact CG-CB 4.23Å; M44-A49 PolarHBondContact O-N 2.74Å; Y46-A49 WeakPolarHBondContact CA-O 3.48Å; Y46-A49 PolarHBondContact N-O 2.94Å; A49-I249 HydrophobicContact CB-CG2 3.51Å; A49-I253 HydrophobicContact CB-CD1 3.97Å
50Q97.5Very high97.9Very high27 Ų2721.4 Ų21.413%0.12611%0.113CC..PPolyproline II helixtrans-88.6132.2173.3-65.5-65.89.700110.2Y46 E216Y46-Q50 PolarHBondContact O-NE2 2.82Å; Y46-Q50 PolarHBondContact O-OE1 2.93Å; Q50-E216 HydrophobicContact CB-CB 4.28Å; Q50-E216 PolarHBondContact O-N 2.51Å
51Y97.9Very high97.9Very high11 Ų1121.4 Ų21.44%0.04311%0.113CC..BIsolated β-bridgetrans-93.8141.4177.4-63.6-79.6000110.5D45 Y46 S53 Y56 T207 Y214 V215 Y245D45-Y51 HydrophobicContact CB-CE2 4.11Å; D45-Y51 PolarHBondContact OD1-OH 3.3Å; Y46-Y51 AromaticContact CD1-CD2 3.88Å; Y46-Y51 HydrophobicContact CD1-CD2 3.88Å; Y46-Y51 HydrophobicContact CD2-CD2 4.12Å; Y46-Y51 HydrophobicContact CD2-CE2 4.43Å; Y46-Y51 AromaticContact CE1-CD2 3.8Å; Y46-Y51 HydrophobicContact CE1-CD2 3.8Å; Y46-Y51 HydrophobicContact CE1-CG 4.31Å; Y46-Y51 HydrophobicContact CE2-CD2 4.02Å; Y46-Y51 HydrophobicContact CE2-CE2 4.49Å; Y46-Y51 HydrophobicContact CG-CD2 4.07Å; Y46-Y51 AromaticContact CZ-CD2 3.88Å; Y51-S53 PolarHBondContact O-N 2.87Å; Y51-Y56 VanDerWaalsContact CB-CD1 3.44Å; Y51-Y56 AromaticContact CD1-CD1 3.86Å; Y51-Y56 HydrophobicContact CD1-CD1 3.86Å; Y51-Y56 AromaticContact CD1-CD2 3.7Å; Y51-Y56 HydrophobicContact CD1-CD2 3.7Å; Y51-Y56 AromaticContact CD1-CE1 3.73Å; Y51-Y56 HydrophobicContact CD1-CE1 3.73Å; Y51-Y56 AromaticContact CD1-CE2 3.54Å; Y51-Y56 HydrophobicContact CD1-CE2 3.54Å; Y51-Y56 AromaticContact CD1-CG 3.82Å; Y51-Y56 HydrophobicContact CD1-CG 3.82Å; Y51-Y56 AromaticContact CD1-CZ 3.55Å; Y51-Y56 HydrophobicContact CD2-CD1 4.18Å; Y51-Y56 AromaticContact CD2-CE1 3.82Å; Y51-Y56 HydrophobicContact CD2-CE1 3.82Å; Y51-Y56 HydrophobicContact CE1-CD2 4.33Å; Y51-Y56 HydrophobicContact CE1-CE1 4.13Å; Y51-Y56 AromaticContact CE1-CE2 3.73Å; Y51-Y56 HydrophobicContact CE1-CE2 3.73Å; Y51-Y56 AromaticContact CE1-CZ 3.6Å; Y51-Y56 HydrophobicContact CE2-CE1 4.22Å; Y51-Y56 AromaticContact CG-CD1 3.56Å; Y51-Y56 HydrophobicContact CG-CD1 3.56Å; Y51-Y56 HydrophobicContact CG-CD2 4.25Å; Y51-Y56 AromaticContact CG-CE1 3.55Å; Y51-Y56 HydrophobicContact CG-CE1 3.55Å; Y51-Y56 HydrophobicContact CG-CE2 4.23Å; Y51-Y56 AromaticContact CG-CG 3.9Å; Y51-Y56 HydrophobicContact CG-CG 3.9Å; Y51-Y56 AromaticContact CG-CZ 3.9Å; Y51-Y56 AromaticContact CZ-CZ 3.99Å; Y51-T207 HydrophobicContact CE1-CG2 4.2Å; Y51-Y214 CarbonylContact C-O 3.54Å; Y51-Y214 VanDerWaalsContact CA-O 3.25Å; Y51-Y214 WeakPolarHBondContact CA-O 3.27Å; Y51-V215 HydrophobicContact CD1-CG2 3.98Å; Y51-V215 HydrophobicContact CE1-CG2 3.85Å; Y51-Y245 PolarHBondContact OH-OH 3.13Å
52K97.8Very high98Very high61 Ų6123.7 Ų23.727%0.26513%0.125SC..PPolyproline II helixtrans-73.9118-178.3-71.3173.1173-176.70110Q55 Y56 S212 E213 Y214 V215 E216K52-Q55 PolarHBondContact O-N 2.85Å; K52-Q55 VanDerWaalsContact O-N 3.16Å; K52-Q55 PolarHBondContact O-OE1 2.87Å; K52-Y56 WeakPolarHBondContact O-CB 3.4Å; K52-Y56 PolarHBondContact O-N 3.29Å; K52-S212 PolarHBondContact NZ-O 2.74Å; K52-E213 WeakPolarHBondContact CD-O 3.39Å; K52-Y214 PolarHBondContact N-O 3.03Å; K52-V215 WeakPolarHBondContact CE-O 3.19Å; K52-E216 HydrophobicContact CD-CG 4.39Å; K52-E216 HydrophobicContact CG-CG 3.43Å; K52-E216 VanDerWaalsContact CG-CG 3.43Å
53S95.8Very high98Very high80 Ų8023.8 Ų23.856%0.55913%0.126SC*.THydrogen-bonded Turntrans-96.7135174.7161.10000111.1Y51 Q55 E57Y51-S53 PolarHBondContact O-N 2.87Å; S53-Q55 PolarHBondContact O-OE1 3.1Å; S53-E57 VanDerWaalsContact CA-OE2 3.28Å; S53-E57 WeakPolarHBondContact CA-OE2 3.43Å; S53-E57 WeakPolarHBondContact CB-OE2 3.43Å
54P96.8Very high98Very high43 Ų4323.3 Ų23.328%0.27912%0.123SC..THydrogen-bonded Turncis-93.84.57.338.1-37.5000114.8Y56 E57 E58 Y82 P84P54-Y56 VanDerWaalsContact C-N 3.31Å; P54-Y56 PolarHBondContact O-N 3.41Å; P54-E57 WeakPolarHBondContact CA-OE2 3.45Å; P54-E57 PolarHBondContact O-N 3.29Å; P54-E58 VanDerWaalsContact O-CB 3.26Å; P54-E58 WeakPolarHBondContact O-CB 3.09Å; P54-E58 PolarHBondContact O-N 3.26Å; P54-Y82 HydrophobicContact CB-CD1 4.37Å; P54-Y82 HydrophobicContact CB-CE1 4.15Å; P54-P84 HydrophobicContact CB-CB 3.8Å; P54-P84 HydrophobicContact CB-CG 3.86Å; P54-P84 HydrophobicContact CG-CG 4.25Å
55Q98.3Very high98Very high81 Ų8124.7 Ų24.738%0.37913%0.129SC..Hα-helixtrans-58.1-42.2-169.4-65.884.4-12.900112.5K52 S53 L59 Y214K52-Q55 PolarHBondContact O-N 2.85Å; K52-Q55 VanDerWaalsContact O-N 3.16Å; K52-Q55 PolarHBondContact O-OE1 2.87Å; S53-Q55 PolarHBondContact O-OE1 3.1Å; Q55-L59 WeakPolarHBondContact O-CB 3.46Å; Q55-L59 PolarHBondContact O-N 3.39Å; Q55-Y214 HydrophobicContact CB-CD1 4.07Å; Q55-Y214 HydrophobicContact CB-CE1 4.22Å
56Y98.4Very high98Very high5 Ų526.7 Ų26.72%0.0214%0.144CC..Hα-helixtrans-72.4-41.8-178.6-173-115.2000112.3Y46 Y51 K52 P54 E58 L59 A60 F147 L203 T207 Y214Y46-Y56 HydrophobicContact CE2-CE1 4.39Å; Y46-Y56 WeakPolarHBondContact OH-CD1 3.44Å; Y51-Y56 VanDerWaalsContact CB-CD1 3.44Å; Y51-Y56 AromaticContact CD1-CD1 3.86Å; Y51-Y56 HydrophobicContact CD1-CD1 3.86Å; Y51-Y56 AromaticContact CD1-CD2 3.7Å; Y51-Y56 HydrophobicContact CD1-CD2 3.7Å; Y51-Y56 AromaticContact CD1-CE1 3.73Å; Y51-Y56 HydrophobicContact CD1-CE1 3.73Å; Y51-Y56 AromaticContact CD1-CE2 3.54Å; Y51-Y56 HydrophobicContact CD1-CE2 3.54Å; Y51-Y56 AromaticContact CD1-CG 3.82Å; Y51-Y56 HydrophobicContact CD1-CG 3.82Å; Y51-Y56 AromaticContact CD1-CZ 3.55Å; Y51-Y56 HydrophobicContact CD2-CD1 4.18Å; Y51-Y56 AromaticContact CD2-CE1 3.82Å; Y51-Y56 HydrophobicContact CD2-CE1 3.82Å; Y51-Y56 HydrophobicContact CE1-CD2 4.33Å; Y51-Y56 HydrophobicContact CE1-CE1 4.13Å; Y51-Y56 AromaticContact CE1-CE2 3.73Å; Y51-Y56 HydrophobicContact CE1-CE2 3.73Å; Y51-Y56 AromaticContact CE1-CZ 3.6Å; Y51-Y56 HydrophobicContact CE2-CE1 4.22Å; Y51-Y56 AromaticContact CG-CD1 3.56Å; Y51-Y56 HydrophobicContact CG-CD1 3.56Å; Y51-Y56 HydrophobicContact CG-CD2 4.25Å; Y51-Y56 AromaticContact CG-CE1 3.55Å; Y51-Y56 HydrophobicContact CG-CE1 3.55Å; Y51-Y56 HydrophobicContact CG-CE2 4.23Å; Y51-Y56 AromaticContact CG-CG 3.9Å; Y51-Y56 HydrophobicContact CG-CG 3.9Å; Y51-Y56 AromaticContact CG-CZ 3.9Å; Y51-Y56 AromaticContact CZ-CZ 3.99Å; K52-Y56 WeakPolarHBondContact O-CB 3.4Å; K52-Y56 PolarHBondContact O-N 3.29Å; P54-Y56 VanDerWaalsContact C-N 3.31Å; P54-Y56 PolarHBondContact O-N 3.41Å; Y56-E58 VanDerWaalsContact C-N 3.34Å; Y56-L59 WeakPolarHBondContact O-CB 3.42Å; Y56-L59 PolarHBondContact O-N 2.79Å; Y56-A60 PolarHBondContact O-N 3.4Å; Y56-A60 VanDerWaalsContact O-N 3.11Å; Y56-F147 AromaticContact CE1-CE1 3.98Å; Y56-F147 HydrophobicContact CE1-CE1 3.98Å; Y56-L203 HydrophobicContact CE2-CD1 4.03Å; Y56-L203 HydrophobicContact CE2-CD2 4.47Å; Y56-L203 HydrophobicContact CE2-CG 4.26Å; Y56-T207 HydrophobicContact CE2-CG2 3.95Å; Y56-T207 WeakPolarHBondContact CE2-OG1 3.44Å; Y56-Y214 HydrophobicContact CD2-CD1 4.46Å; Y56-Y214 HydrophobicContact CD2-CG 4.26Å
57E98.2Very high98.1Very high8 Ų829.7 Ų29.74%0.03716%0.155CC..Hα-helixtrans-66-38.6175.1-62.576.7-168.500111.4S53 P54 A60 F61 Y82 L149S53-E57 VanDerWaalsContact CA-OE2 3.28Å; S53-E57 WeakPolarHBondContact CA-OE2 3.43Å; S53-E57 WeakPolarHBondContact CB-OE2 3.43Å; P54-E57 WeakPolarHBondContact CA-OE2 3.45Å; P54-E57 PolarHBondContact O-N 3.29Å; E57-A60 PolarHBondContact O-N 3.38Å; E57-F61 VanDerWaalsContact O-CB 3.29Å; E57-F61 WeakPolarHBondContact O-CB 3.27Å; E57-F61 PolarHBondContact O-N 3.49Å; E57-Y82 HydrophobicContact CB-CD1 4.41Å; E57-Y82 HydrophobicContact CB-CE1 3.5Å; E57-Y82 HydrophobicContact CB-CE2 4.39Å; E57-Y82 WeakPolarHBondContact CB-OH 3.15Å; E57-L149 HydrophobicContact CG-CD1 4.4Å
58E98.5Very high98.1Very high76 Ų7629.7 Ų29.736%0.35516%0.155SC..Hα-helixtrans-65.6-39.5176.1-178.3171.2-168.300111.9P54 Y56 F61 N62 Y82P54-E58 VanDerWaalsContact O-CB 3.26Å; P54-E58 WeakPolarHBondContact O-CB 3.09Å; P54-E58 PolarHBondContact O-N 3.26Å; Y56-E58 VanDerWaalsContact C-N 3.34Å; E58-F61 PolarHBondContact O-N 2.94Å; E58-N62 WeakPolarHBondContact CG-ND2 3.04Å; E58-N62 WeakPolarHBondContact O-CB 3.38Å; E58-N62 PolarHBondContact O-N 2.85Å; E58-N62 PolarHBondContact O-ND2 3.34Å; E58-N62 VanDerWaalsContact O-ND2 3.09Å; E58-Y82 HydrophobicContact CB-CD1 3.97Å; E58-Y82 HydrophobicContact CB-CG 4.35Å
59L98.6Very high98.1Very high15 Ų1532.1 Ų32.18%0.07917%0.168CC..Hα-helixtrans-56.9-52.9171.4171.966.1000110.6Q55 Y56 F61 N62 I63 L203 R206 Y214Q55-L59 WeakPolarHBondContact O-CB 3.46Å; Q55-L59 PolarHBondContact O-N 3.39Å; Y56-L59 WeakPolarHBondContact O-CB 3.42Å; Y56-L59 PolarHBondContact O-N 2.79Å; L59-F61 VanDerWaalsContact C-N 3.35Å; L59-F61 PolarHBondContact O-N 2.69Å; L59-N62 PolarHBondContact O-N 2.75Å; L59-I63 HydrophobicContact CD1-CD1 4.02Å; L59-I63 HydrophobicContact CD1-CG1 4.36Å; L59-I63 HydrophobicContact CG-CD1 3.98Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.2Å; L59-I63 PolarHBondContact O-N 3.11Å; L59-L203 HydrophobicContact CD2-CD1 3.73Å; L59-L203 HydrophobicContact CG-CD1 3.96Å; L59-R206 HydrophobicContact CD1-CB 4.11Å; L59-R206 HydrophobicContact CD2-CB 4.13Å; L59-Y214 HydrophobicContact CB-CE1 3.99Å; L59-Y214 HydrophobicContact CD2-CD1 4.32Å; L59-Y214 HydrophobicContact CD2-CD2 4.01Å; L59-Y214 HydrophobicContact CD2-CE1 4.07Å; L59-Y214 HydrophobicContact CD2-CE2 3.65Å; L59-Y214 HydrophobicContact CD2-CG 4.33Å
60A98.6Very high98.1Very high4 Ų439.9 Ų39.93%0.03320%0.201CC..Hα-helixtrans-59.2-46.4179.300000111.6Y56 E57 N62 I63 I64 P150 M198 L203Y56-A60 PolarHBondContact O-N 3.4Å; Y56-A60 VanDerWaalsContact O-N 3.11Å; E57-A60 PolarHBondContact O-N 3.38Å; A60-N62 PolarHBondContact O-N 2.88Å; A60-I63 PolarHBondContact O-N 3.15Å; A60-I64 WeakPolarHBondContact O-CD1 3.45Å; A60-I64 WeakPolarHBondContact O-CG1 3.49Å; A60-I64 PolarHBondContact O-N 3.06Å; A60-P150 HydrophobicContact CB-CB 4.11Å; A60-P150 HydrophobicContact CB-CG 3.79Å; A60-M198 VanDerWaalsContact CA-SD 3.52Å; A60-M198 HydrophobicContact CB-CE 3.94Å; A60-M198 HydrophobicContact CB-SD 3.67Å; A60-L203 HydrophobicContact CB-CD1 4.09Å; A60-L203 HydrophobicContact CB-CD2 4.34Å
61F98.7Very high98Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-56.1-47.5176178.1-96.4000112.3E57 E58 L59 I63 I64 K65 F80 Y82 P150 Y153 I154E57-F61 VanDerWaalsContact O-CB 3.29Å; E57-F61 WeakPolarHBondContact O-CB 3.27Å; E57-F61 PolarHBondContact O-N 3.49Å; E58-F61 PolarHBondContact O-N 2.94Å; L59-F61 VanDerWaalsContact C-N 3.35Å; L59-F61 PolarHBondContact O-N 2.69Å; F61-I63 VanDerWaalsContact C-N 3.34Å; F61-I63 PolarHBondContact O-N 2.95Å; F61-I64 PolarHBondContact O-N 2.85Å; F61-K65 HydrophobicContact CE1-CD 4.24Å; F61-K65 VanDerWaalsContact O-CB 3.29Å; F61-K65 WeakPolarHBondContact O-CB 3.45Å; F61-K65 PolarHBondContact O-N 3.22Å; F61-F80 HydrophobicContact CE1-CB 4.13Å; F61-F80 HydrophobicContact CZ-CB 3.74Å; F61-Y82 HydrophobicContact CB-CD2 3.78Å; F61-Y82 HydrophobicContact CB-CE2 4.49Å; F61-Y82 HydrophobicContact CB-CG 4.18Å; F61-Y82 HydrophobicContact CD1-CD2 4.35Å; F61-Y82 HydrophobicContact CD1-CG 4.48Å; F61-Y82 AromaticContact CD2-CD2 3.77Å; F61-Y82 HydrophobicContact CD2-CD2 3.77Å; F61-Y82 HydrophobicContact CE2-CD2 4.44Å; F61-Y82 AromaticContact CG-CD2 3.7Å; F61-Y82 HydrophobicContact CG-CD2 3.7Å; F61-Y82 HydrophobicContact CG-CG 4.19Å; F61-P150 HydrophobicContact CB-CB 4.02Å; F61-Y153 AromaticContact CD2-CD1 3.88Å; F61-Y153 HydrophobicContact CD2-CD1 3.88Å; F61-Y153 AromaticContact CE2-CD1 3.39Å; F61-Y153 HydrophobicContact CE2-CD1 3.39Å; F61-Y153 AromaticContact CE2-CE1 3.93Å; F61-Y153 HydrophobicContact CE2-CE1 3.93Å; F61-Y153 HydrophobicContact CE2-CG 4.46Å; F61-Y153 AromaticContact CZ-CD1 3.95Å; F61-Y153 HydrophobicContact CZ-CD1 3.95Å; F61-Y153 HydrophobicContact CZ-CE1 4Å; F61-I154 HydrophobicContact CD2-CB 3.96Å; F61-I154 HydrophobicContact CD2-CD1 4.08Å; F61-I154 HydrophobicContact CE1-CD1 4.46Å; F61-I154 HydrophobicContact CE2-CB 3.67Å; F61-I154 HydrophobicContact CE2-CD1 3.33Å; F61-I154 HydrophobicContact CE2-CG1 4.07Å; F61-I154 HydrophobicContact CZ-CD1 3.57Å
62N98.6Very high97.9Very high49 Ų4944.8 Ų44.826%0.26224%0.244SC..Hα-helixtrans-66.9-33.6-179.8-78-41.4000112.9E58 L59 A60 K65 S66E58-N62 WeakPolarHBondContact CG-ND2 3.04Å; E58-N62 WeakPolarHBondContact O-CB 3.38Å; E58-N62 PolarHBondContact O-N 2.85Å; E58-N62 PolarHBondContact O-ND2 3.34Å; E58-N62 VanDerWaalsContact O-ND2 3.09Å; L59-N62 PolarHBondContact O-N 2.75Å; A60-N62 PolarHBondContact O-N 2.88Å; N62-K65 WeakPolarHBondContact OD1-CE 3.23Å; N62-K65 PolarHBondContact OD1-NZ 3.42Å; N62-K65 VanDerWaalsContact OD1-NZ 3.16Å; N62-S66 WeakPolarHBondContact O-CB 3.46Å; N62-S66 PolarHBondContact O-N 3.32Å; N62-S66 PolarHBondContact O-OG 2.9Å
63I98.6Very high97.9Very high2 Ų242.8 Ų42.81%0.0124%0.235CC..Hα-helixtrans-64.3-49.8172.6-66.5163.8000110.3L59 A60 F61 S66 R67 W197 M198 E202 L203L59-I63 HydrophobicContact CD1-CD1 4.02Å; L59-I63 HydrophobicContact CD1-CG1 4.36Å; L59-I63 HydrophobicContact CG-CD1 3.98Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.2Å; L59-I63 PolarHBondContact O-N 3.11Å; A60-I63 PolarHBondContact O-N 3.15Å; F61-I63 VanDerWaalsContact C-N 3.34Å; F61-I63 PolarHBondContact O-N 2.95Å; I63-S66 PolarHBondContact O-N 3.45Å; I63-R67 PolarHBondContact O-N 3.42Å; I63-W197 HydrophobicContact CG2-CE3 4.49Å; I63-W197 HydrophobicContact CG2-CH2 4.38Å; I63-W197 HydrophobicContact CG2-CZ3 3.65Å; I63-M198 HydrophobicContact CB-CG 4.23Å; I63-M198 HydrophobicContact CB-SD 4.03Å; I63-M198 HydrophobicContact CD1-CG 4.28Å; I63-M198 HydrophobicContact CD1-SD 4.37Å; I63-M198 HydrophobicContact CG2-CB 3.92Å; I63-M198 HydrophobicContact CG2-CG 3.7Å; I63-M198 HydrophobicContact CG2-SD 4.11Å; I63-E202 HydrophobicContact CD1-CG 4.22Å; I63-E202 HydrophobicContact CG1-CG 4.33Å; I63-E202 HydrophobicContact CG2-CB 4.27Å; I63-E202 HydrophobicContact CG2-CG 3.6Å; I63-L203 HydrophobicContact CD1-CB 4.34Å; I63-L203 HydrophobicContact CD1-CD1 3.99Å
64I98.5Very high97.8Very high1 Ų140.8 Ų40.81%0.00522%0.22CC..Hα-helixtrans-61.4-47.7179.5-61.8157.3000110.3A60 F61 S66 R67 L68 P150 I154 A194 C195 M198A60-I64 WeakPolarHBondContact O-CD1 3.45Å; A60-I64 WeakPolarHBondContact O-CG1 3.49Å; A60-I64 PolarHBondContact O-N 3.06Å; F61-I64 PolarHBondContact O-N 2.85Å; I64-S66 VanDerWaalsContact C-N 3.31Å; I64-S66 PolarHBondContact O-N 3.24Å; I64-R67 WeakPolarHBondContact O-CB 3.35Å; I64-R67 PolarHBondContact O-N 2.81Å; I64-L68 HydrophobicContact CG2-CD1 3.84Å; I64-L68 HydrophobicContact CG2-CG 4.23Å; I64-L68 WeakPolarHBondContact O-CG 3.44Å; I64-L68 PolarHBondContact O-N 3.37Å; I64-P150 HydrophobicContact CD1-CB 4.24Å; I64-I154 HydrophobicContact CG2-CG1 4.28Å; I64-I154 HydrophobicContact CG2-CG2 3.94Å; I64-A194 HydrophobicContact CG2-CB 4.05Å; I64-C195 VanDerWaalsContact CD1-SG 3.52Å; I64-M198 HydrophobicContact CD1-CE 3.81Å; I64-M198 HydrophobicContact CD1-SD 3.95Å; I64-M198 HydrophobicContact CG1-CE 4.04Å; I64-M198 HydrophobicContact CG1-SD 3.68Å
65K98.4Very high97.7Very high29 Ų2943.8 Ų43.813%0.12624%0.24CC..Hα-helixtrans-50.7-50.1175.2-179.3174.765.8169.80111.6F61 N62 R67 L68 I69 T77 S78 F80 I154F61-K65 HydrophobicContact CE1-CD 4.24Å; F61-K65 VanDerWaalsContact O-CB 3.29Å; F61-K65 WeakPolarHBondContact O-CB 3.45Å; F61-K65 PolarHBondContact O-N 3.22Å; N62-K65 WeakPolarHBondContact OD1-CE 3.23Å; N62-K65 PolarHBondContact OD1-NZ 3.42Å; N62-K65 VanDerWaalsContact OD1-NZ 3.16Å; K65-R67 VanDerWaalsContact C-N 3.34Å; K65-R67 PolarHBondContact O-N 3.06Å; K65-L68 PolarHBondContact O-N 3.11Å; K65-I69 WeakPolarHBondContact O-CG1 3.23Å; K65-I69 PolarHBondContact O-N 2.8Å; K65-T77 VanDerWaalsContact CD-O 3.23Å; K65-T77 WeakPolarHBondContact CD-O 3.15Å; K65-T77 HydrophobicContact CG-CG2 4.16Å; K65-T77 WeakPolarHBondContact CG-O 3.32Å; K65-S78 PolarHBondContact NZ-O 3.05Å; K65-F80 HydrophobicContact CD-CB 4.16Å; K65-F80 PolarHBondContact NZ-O 2.64Å; K65-I154 HydrophobicContact CB-CD1 4.22Å
66S98.2Very high97.5Very high53 Ų5346 Ų4637%0.37125%0.248SC..Hα-helixtrans-65.3-36.9179-57.70000112.5N62 I63 I64 K70N62-S66 WeakPolarHBondContact O-CB 3.46Å; N62-S66 PolarHBondContact O-N 3.32Å; N62-S66 PolarHBondContact O-OG 2.9Å; I63-S66 PolarHBondContact O-N 3.45Å; I64-S66 VanDerWaalsContact C-N 3.31Å; I64-S66 PolarHBondContact O-N 3.24Å; S66-K70 WeakPolarHBondContact O-CG 3.24Å; S66-K70 PolarHBondContact O-N 3.32Å
67R98.1Very high97.4Very high69 Ų6945.7 Ų45.726%0.2625%0.247SC..Hα-helixtrans-67.2-41.9177.5179.959.4-179.4176.54.2111.8I63 I64 K65 K70 L71 A194 W197I63-R67 PolarHBondContact O-N 3.42Å; I64-R67 WeakPolarHBondContact O-CB 3.35Å; I64-R67 PolarHBondContact O-N 2.81Å; K65-R67 VanDerWaalsContact C-N 3.34Å; K65-R67 PolarHBondContact O-N 3.06Å; R67-K70 WeakPolarHBondContact O-CB 3.45Å; R67-K70 PolarHBondContact O-N 3.16Å; R67-K70 VanDerWaalsContact O-N 3.17Å; R67-L71 HydrophobicContact CG-CD1 4.45Å; R67-L71 WeakPolarHBondContact O-CG 3.46Å; R67-L71 PolarHBondContact O-N 3.34Å; R67-A194 HydrophobicContact CB-CB 4.18Å; R67-A194 HydrophobicContact CG-CB 3.72Å; R67-W197 HydrophobicContact CB-CE3 3.9Å; R67-W197 HydrophobicContact CB-CZ3 3.81Å; R67-W197 HydrophobicContact CG-CD2 4.22Å; R67-W197 HydrophobicContact CG-CE3 3.62Å; R67-W197 HydrophobicContact CG-CZ3 4Å
68L98.4Very high97.4Very high0 Ų048.2 Ų48.20%027%0.265CS..Hα-helixtrans-63.2-41.8178.5-70.6165.9000112.2I64 K65 K70 L71 G72 Y73 I154 I158 V191 A194I64-L68 HydrophobicContact CG2-CD1 3.84Å; I64-L68 HydrophobicContact CG2-CG 4.23Å; I64-L68 WeakPolarHBondContact O-CG 3.44Å; I64-L68 PolarHBondContact O-N 3.37Å; K65-L68 PolarHBondContact O-N 3.11Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 2.76Å; L68-L71 HydrophobicContact CD2-CD1 4.49Å; L68-L71 CarbonylContact O-C 3.56Å; L68-L71 WeakPolarHBondContact O-CA 3.38Å; L68-L71 WeakPolarHBondContact O-CB 3.48Å; L68-L71 PolarHBondContact O-N 3.26Å; L68-G72 PolarHBondContact O-N 2.92Å; L68-Y73 HydrophobicContact CB-CD2 4Å; L68-Y73 HydrophobicContact CB-CG 4.11Å; L68-Y73 HydrophobicContact CD2-CD2 3.93Å; L68-Y73 HydrophobicContact CD2-CE2 3.71Å; L68-Y73 WeakPolarHBondContact O-CB 3.32Å; L68-Y73 WeakPolarHBondContact O-CD2 3.27Å; L68-Y73 PolarHBondContact O-N 3.16Å; L68-Y73 VanDerWaalsContact O-N 3.11Å; L68-I154 HydrophobicContact CD1-CD1 4.43Å; L68-I154 HydrophobicContact CD1-CG1 3.74Å; L68-I158 HydrophobicContact CD1-CD1 3.57Å; L68-V191 HydrophobicContact CD1-CG2 4.29Å; L68-V191 HydrophobicContact CD2-CG2 4.11Å; L68-A194 HydrophobicContact CD2-CB 4.14Å; L68-A194 HydrophobicContact CG-CB 4.27Å
69I98.1Very high97.3Very high61 Ų6149.9 Ų49.931%0.31328%0.277SS..Hα-helixtrans-58.3-42.1174-65.7166.8000110.4K65 L71 G72 T77K65-I69 WeakPolarHBondContact O-CG1 3.23Å; K65-I69 PolarHBondContact O-N 2.8Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.25Å; I69-G72 PolarHBondContact O-N 3.42Å; I69-T77 HydrophobicContact CG1-CG2 4.1Å
70K97.4Very high97.3Very high162 Ų16250.7 Ų50.770%0.70428%0.279SS*.Hα-helixtrans-65.3-26.3175-68.6177.1179.9-1800113.6S66 R67 L68 G72S66-K70 WeakPolarHBondContact O-CG 3.24Å; S66-K70 PolarHBondContact O-N 3.32Å; R67-K70 WeakPolarHBondContact O-CB 3.45Å; R67-K70 PolarHBondContact O-N 3.16Å; R67-K70 VanDerWaalsContact O-N 3.17Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 2.76Å; K70-G72 VanDerWaalsContact C-N 3.26Å
71L96.1Very high97.3Very high77 Ų7755.4 Ų55.440%0.40331%0.308SS..Hα-helixtrans-79.6-7.1174.3-67.7174000112.9R67 L68 I69R67-L71 HydrophobicContact CG-CD1 4.45Å; R67-L71 WeakPolarHBondContact O-CG 3.46Å; R67-L71 PolarHBondContact O-N 3.34Å; L68-L71 HydrophobicContact CD2-CD1 4.49Å; L68-L71 CarbonylContact O-C 3.56Å; L68-L71 WeakPolarHBondContact O-CA 3.38Å; L68-L71 WeakPolarHBondContact O-CB 3.48Å; L68-L71 PolarHBondContact O-N 3.26Å; I69-L71 VanDerWaalsContact C-N 3.26Å; I69-L71 PolarHBondContact O-N 3.25Å
72G95.9Very high97.3Very high65 Ų6556.2 Ų56.267%0.6731%0.311SS*.THydrogen-bonded Turntrans107.48.4176.800000114.9L68 I69 K70L68-G72 PolarHBondContact O-N 2.92Å; I69-G72 PolarHBondContact O-N 3.42Å; K70-G72 VanDerWaalsContact C-N 3.26Å
73Y97Very high97.2Very high18 Ų1856.9 Ų56.97%0.07132%0.315CS..  trans-63.3148.9171.5-82-104.4000111.2L68 I158 F162 D190L68-Y73 HydrophobicContact CB-CD2 4Å; L68-Y73 HydrophobicContact CB-CG 4.11Å; L68-Y73 HydrophobicContact CD2-CD2 3.93Å; L68-Y73 HydrophobicContact CD2-CE2 3.71Å; L68-Y73 WeakPolarHBondContact O-CB 3.32Å; L68-Y73 WeakPolarHBondContact O-CD2 3.27Å; L68-Y73 PolarHBondContact O-N 3.16Å; L68-Y73 VanDerWaalsContact O-N 3.11Å; Y73-I158 HydrophobicContact CD1-CD1 4.44Å; Y73-I158 HydrophobicContact CD1-CG2 4.25Å; Y73-I158 HydrophobicContact CE1-CD1 4.04Å; Y73-I158 HydrophobicContact CE1-CG1 4.37Å; Y73-I158 HydrophobicContact CE1-CG2 3.62Å; Y73-F162 HydrophobicContact CD1-CE2 4.23Å; Y73-F162 HydrophobicContact CD1-CZ 4.22Å; Y73-F162 AromaticContact CE1-CE2 3.95Å; Y73-F162 HydrophobicContact CE1-CE2 3.95Å; Y73-F162 HydrophobicContact CE1-CZ 4.32Å; Y73-D190 HydrophobicContact CE2-CB 3.88Å; Y73-D190 VanDerWaalsContact OH-CB 3.24Å; Y73-D190 WeakPolarHBondContact OH-CB 3.48Å; Y73-D190 PolarHBondContact OH-OD2 3.32Å
74P95.2Very high97.1Very high38 Ų3859.9 Ų59.925%0.24733%0.334CS..  trans-53.8143.4-174-27.534.3000113.2K76 T77 M161 F162P74-K76 PolarHBondContact O-N 2.98Å; P74-T77 WeakPolarHBondContact O-CB 3.25Å; P74-T77 PolarHBondContact O-N 2.95Å; P74-T77 PolarHBondContact O-OG1 3.01Å; P74-M161 HydrophobicContact CG-CE 4.1Å; P74-F162 HydrophobicContact CG-CE1 3.96Å; P74-F162 HydrophobicContact CG-CZ 4.17Å
75P93.9Very high96.9Very high106 Ų10662.6 Ų62.669%0.68835%0.353SS*.G310 helixtrans-53.2-33.4179.7-29.235.8000114T77 S78P75-T77 PolarHBondContact O-N 3.12Å; P75-S78 WeakPolarHBondContact O-CB 3.44Å; P75-S78 PolarHBondContact O-N 2.96Å; P75-S78 PolarHBondContact O-OG 2.82Å
76K94.9Very high96.7Very high127 Ų12761.9 Ų61.955%0.55235%0.35SS*.G310 helixtrans-53.6-21.1174.8-167.8178.2-178.8-177.70114P74 S78 D79 M161P74-K76 PolarHBondContact O-N 2.98Å; K76-S78 PolarHBondContact O-N 3.23Å; K76-S78 VanDerWaalsContact O-N 3.12Å; K76-D79 WeakPolarHBondContact O-CB 3.44Å; K76-D79 PolarHBondContact O-N 2.84Å; K76-D79 VanDerWaalsContact O-N 3.08Å; K76-M161 HydrophobicContact CB-SD 4.4Å
77T96.1Very high96.6Very high0 Ų060 Ų600%034%0.337CS..G310 helixtrans-56.1-24.6171.6-54.70000111.9K65 I69 P74 P75 D79 F80K65-T77 VanDerWaalsContact CD-O 3.23Å; K65-T77 WeakPolarHBondContact CD-O 3.15Å; K65-T77 HydrophobicContact CG-CG2 4.16Å; K65-T77 WeakPolarHBondContact CG-O 3.32Å; I69-T77 HydrophobicContact CG1-CG2 4.1Å; P74-T77 WeakPolarHBondContact O-CB 3.25Å; P74-T77 PolarHBondContact O-N 2.95Å; P74-T77 PolarHBondContact O-OG1 3.01Å; P75-T77 PolarHBondContact O-N 3.12Å; T77-D79 PolarHBondContact O-N 3.15Å; T77-F80 HydrophobicContact CG2-CD2 3.88Å; T77-F80 HydrophobicContact CG2-CE2 3.73Å; T77-F80 WeakPolarHBondContact O-CD2 3.43Å; T77-F80 WeakPolarHBondContact O-CG 3.27Å; T77-F80 PolarHBondContact O-N 3.14Å
78S96.9Very high96.4Very high60 Ų6057.9 Ų57.942%0.4233%0.33SS..G310 helixtrans-58.8-30.6175.657.60000113.7K65 P75 K76 F80K65-S78 PolarHBondContact NZ-O 3.05Å; P75-S78 WeakPolarHBondContact O-CB 3.44Å; P75-S78 PolarHBondContact O-N 2.96Å; P75-S78 PolarHBondContact O-OG 2.82Å; K76-S78 PolarHBondContact O-N 3.23Å; K76-S78 VanDerWaalsContact O-N 3.12Å; S78-F80 PolarHBondContact O-N 2.77Å
79D97.4Very high96.3Very high111 Ų11158 Ų5859%0.59433%0.331SS*.G310 helixtrans-78.1-9.6-171-56.4-15.6000112.4K76 T77 V81K76-D79 WeakPolarHBondContact O-CB 3.44Å; K76-D79 PolarHBondContact O-N 2.84Å; K76-D79 VanDerWaalsContact O-N 3.08Å; T77-D79 PolarHBondContact O-N 3.15Å; D79-V81 PolarHBondContact O-N 3.08Å
80F98.2Very high96.1Very high32 Ų3255.4 Ų55.414%0.1432%0.319CS..  trans-65.7131.4178-56.9-25.5000111.1F61 K65 T77 S78 I154 C157 I158 M161F61-F80 HydrophobicContact CE1-CB 4.13Å; F61-F80 HydrophobicContact CZ-CB 3.74Å; K65-F80 HydrophobicContact CD-CB 4.16Å; K65-F80 PolarHBondContact NZ-O 2.64Å; T77-F80 HydrophobicContact CG2-CD2 3.88Å; T77-F80 HydrophobicContact CG2-CE2 3.73Å; T77-F80 WeakPolarHBondContact O-CD2 3.43Å; T77-F80 WeakPolarHBondContact O-CG 3.27Å; T77-F80 PolarHBondContact O-N 3.14Å; S78-F80 PolarHBondContact O-N 2.77Å; F80-I154 HydrophobicContact CD2-CD1 3.82Å; F80-I154 HydrophobicContact CE2-CD1 4.45Å; F80-C157 HydrophobicContact CD1-CB 4.17Å; F80-C157 HydrophobicContact CD2-CB 3.53Å; F80-C157 HydrophobicContact CE1-CB 4.17Å; F80-C157 HydrophobicContact CE2-CB 3.52Å; F80-C157 HydrophobicContact CG-CB 3.87Å; F80-C157 HydrophobicContact CZ-CB 3.86Å; F80-I158 HydrophobicContact CE2-CG1 4.19Å; F80-M161 HydrophobicContact CE1-CB 4.32Å; F80-M161 HydrophobicContact CE1-SD 4.27Å; F80-M161 HydrophobicContact CZ-CB 3.93Å; F80-M161 HydrophobicContact CZ-CE 4.21Å; F80-M161 HydrophobicContact CZ-CG 4.42Å; F80-M161 HydrophobicContact CZ-SD 3.78Å
81V98.1Very high96.1Very high104 Ų10447.8 Ų47.863%0.6329%0.286SS*.  trans-114.8132.8176.4-177.30000108.5D79 D83 Y153D79-V81 PolarHBondContact O-N 3.08Å; V81-D83 PolarHBondContact O-N 2.88Å; V81-Y153 WeakPolarHBondContact O-CE1 3.35Å; V81-Y153 PolarHBondContact O-OH 3.17Å
82Y98.4Very high96.2Very high16 Ų1644.5 Ų44.56%0.06327%0.268CS..  trans-66.3127.8179.8-174-112.6000110.7P54 E57 E58 F61 P84 P87 Y153P54-Y82 HydrophobicContact CB-CD1 4.37Å; P54-Y82 HydrophobicContact CB-CE1 4.15Å; E57-Y82 HydrophobicContact CB-CD1 4.41Å; E57-Y82 HydrophobicContact CB-CE1 3.5Å; E57-Y82 HydrophobicContact CB-CE2 4.39Å; E57-Y82 WeakPolarHBondContact CB-OH 3.15Å; E58-Y82 HydrophobicContact CB-CD1 3.97Å; E58-Y82 HydrophobicContact CB-CG 4.35Å; F61-Y82 HydrophobicContact CB-CD2 3.78Å; F61-Y82 HydrophobicContact CB-CE2 4.49Å; F61-Y82 HydrophobicContact CB-CG 4.18Å; F61-Y82 HydrophobicContact CD1-CD2 4.35Å; F61-Y82 HydrophobicContact CD1-CG 4.48Å; F61-Y82 AromaticContact CD2-CD2 3.77Å; F61-Y82 HydrophobicContact CD2-CD2 3.77Å; F61-Y82 HydrophobicContact CE2-CD2 4.44Å; F61-Y82 AromaticContact CG-CD2 3.7Å; F61-Y82 HydrophobicContact CG-CD2 3.7Å; F61-Y82 HydrophobicContact CG-CG 4.19Å; Y82-P84 HydrophobicContact CE1-CB 3.95Å; Y82-P87 HydrophobicContact CE2-CG 4.35Å; Y82-Y153 AromaticContact CD2-CD1 3.58Å; Y82-Y153 HydrophobicContact CD2-CD1 3.58Å; Y82-Y153 HydrophobicContact CD2-CE1 4.22Å; Y82-Y153 HydrophobicContact CD2-CG 4.19Å; Y82-Y153 HydrophobicContact CE2-CD1 4.06Å; Y82-Y153 HydrophobicContact CE2-CG 4.21Å
83D97.4Very high96.3Very high64 Ų6441.5 Ų41.534%0.34224%0.236SC..  trans-115.8106.7173.6-179.5-0.9000109.4V81 S85 F86 P87 Y153V81-D83 PolarHBondContact O-N 2.88Å; D83-S85 VanDerWaalsContact CG-OG 3.23Å; D83-S85 PolarHBondContact O-N 2.82Å; D83-S85 VanDerWaalsContact OD1-CB 3.27Å; D83-S85 WeakPolarHBondContact OD1-CB 3.5Å; D83-S85 PolarHBondContact OD1-N 3.15Å; D83-S85 PolarHBondContact OD1-OG 3.42Å; D83-S85 PolarHBondContact OD2-OG 2.96Å; D83-S85 VanDerWaalsContact OD2-OG 3.08Å; D83-F86 PolarHBondContact O-N 2.92Å; D83-P87 WeakPolarHBondContact O-CD 3.38Å; D83-Y153 HydrophobicContact CB-CE1 4.44Å; D83-Y153 HydrophobicContact CB-CE2 3.87Å; D83-Y153 VanDerWaalsContact CB-OH 3.29Å; D83-Y153 WeakPolarHBondContact CB-OH 3.44Å
84P95.8Very high96.4Very high64 Ų6440.6 Ų40.642%0.41623%0.233SC..THydrogen-bonded Turntrans-69.8-12-179.229.8-36.1000113.7P54 Y82 F86P54-P84 HydrophobicContact CB-CB 3.8Å; P54-P84 HydrophobicContact CB-CG 3.86Å; P54-P84 HydrophobicContact CG-CG 4.25Å; Y82-P84 HydrophobicContact CE1-CB 3.95Å; P84-F86 VanDerWaalsContact C-N 3.28Å; P84-F86 PolarHBondContact O-N 2.76Å
85S94.2Very high96.5Very high58 Ų5841.4 Ų41.441%0.40623%0.231SC..THydrogen-bonded Turntrans-78-13.5-179.877.90000113.7D83 A423D83-S85 VanDerWaalsContact CG-OG 3.23Å; D83-S85 PolarHBondContact O-N 2.82Å; D83-S85 VanDerWaalsContact OD1-CB 3.27Å; D83-S85 WeakPolarHBondContact OD1-CB 3.5Å; D83-S85 PolarHBondContact OD1-N 3.15Å; D83-S85 PolarHBondContact OD1-OG 3.42Å; D83-S85 PolarHBondContact OD2-OG 2.96Å; D83-S85 VanDerWaalsContact OD2-OG 3.08Å; S85-A423 PolarHBondContact O-N 2.93Å
86F95.9Very high96.7Very high15 Ų1539.2 Ų39.27%0.06621%0.214CC..SBendtrans-90.8-59.6-177-177.9-86000114.8D83 P84 L100 L113 F116 Y153 S156 A423 L424D83-F86 PolarHBondContact O-N 2.92Å; P84-F86 VanDerWaalsContact C-N 3.28Å; P84-F86 PolarHBondContact O-N 2.76Å; F86-L100 HydrophobicContact CE1-CD1 3.94Å; F86-L100 HydrophobicContact CZ-CD1 4.2Å; F86-L113 HydrophobicContact CE2-CD2 3.95Å; F86-L113 HydrophobicContact CZ-CD2 4.16Å; F86-F116 HydrophobicContact CD1-CE1 4.16Å; F86-F116 AromaticContact CD2-CD1 3.83Å; F86-F116 HydrophobicContact CD2-CD1 3.83Å; F86-F116 HydrophobicContact CD2-CE1 4.07Å; F86-F116 HydrophobicContact CE1-CD1 4.24Å; F86-F116 HydrophobicContact CE1-CE1 4.06Å; F86-F116 AromaticContact CE2-CD1 3.48Å; F86-F116 HydrophobicContact CE2-CD1 3.48Å; F86-F116 VanDerWaalsContact CE2-CD1 3.48Å; F86-F116 HydrophobicContact CE2-CE1 4.01Å; F86-F116 HydrophobicContact CG-CD1 4.36Å; F86-F116 HydrophobicContact CG-CE1 4.15Å; F86-F116 AromaticContact CZ-CD1 3.68Å; F86-F116 HydrophobicContact CZ-CD1 3.68Å; F86-F116 AromaticContact CZ-CE1 3.98Å; F86-F116 HydrophobicContact CZ-CE1 3.98Å; F86-Y153 HydrophobicContact CB-CD2 3.87Å; F86-Y153 HydrophobicContact CB-CE2 3.85Å; F86-Y153 AromaticContact CD1-CD2 3.62Å; F86-Y153 HydrophobicContact CD1-CD2 3.62Å; F86-Y153 HydrophobicContact CD1-CE2 4.21Å; F86-Y153 HydrophobicContact CE1-CD2 4.48Å; F86-Y153 AromaticContact CG-CD2 3.96Å; F86-Y153 HydrophobicContact CG-CD2 3.96Å; F86-Y153 HydrophobicContact CG-CE2 4.11Å; F86-S156 WeakPolarHBondContact CE1-OG 2.95Å; F86-A423 HydrophobicContact CB-CB 4.5Å; F86-A423 HydrophobicContact CD2-CB 4.14Å; F86-L424 HydrophobicContact CZ-CD1 4.45Å; F86-L424 WeakPolarHBondContact O-CD1 3.45Å
87P96.2Very high96.8Very high13 Ų1334.4 Ų34.48%0.08419%0.192CC..  trans-69.4137.9-170.229.3-34.9000111.3Y82 D83 L149 T152Y82-P87 HydrophobicContact CE2-CG 4.35Å; D83-P87 WeakPolarHBondContact O-CD 3.38Å; P87-L149 HydrophobicContact CB-CB 4.2Å; P87-L149 HydrophobicContact CB-CD2 3.98Å; P87-L149 WeakPolarHBondContact CB-O 3.49Å; P87-L149 HydrophobicContact CG-CB 4.27Å; P87-L149 HydrophobicContact CG-CD2 4.48Å; P87-T152 HydrophobicContact CB-CG2 4.3Å
88L93.7Very high96.9Very high25 Ų2534.4 Ų34.413%0.13119%0.192CC..  trans-130.8136.6-178.3-168.373.9000109L91 L424 I427L88-L91 HydrophobicContact CB-CD1 4.07Å; L88-L91 HydrophobicContact CB-CG 4.17Å; L88-L91 WeakPolarHBondContact O-CD1 3.41Å; L88-L91 VanDerWaalsContact O-CG 3.32Å; L88-L91 WeakPolarHBondContact O-CG 3.31Å; L88-L424 HydrophobicContact CB-CB 4.5Å; L88-L424 HydrophobicContact CB-CD1 4.34Å; L88-L424 HydrophobicContact CD2-CB 4.24Å; L88-I427 HydrophobicContact CD1-CB 3.7Å; L88-I427 HydrophobicContact CD1-CG1 4.08Å; L88-I427 HydrophobicContact CG-CB 4.22Å; L88-I427 HydrophobicContact CG-CG1 4.13Å
89R94.8Very high97Very high3 Ų331.6 Ų31.61%0.01117%0.172CC..THydrogen-bonded Turntrans-66.8148171.3-69.3-163.4-69.9174.1-12.9111M143 N144 T145 L146 L149 D338 E361 I427 F437R89-M143 CarbonylContact C-O 3.54Å; R89-M143 WeakPolarHBondContact CA-O 3.39Å; R89-N144 WeakPolarHBondContact CD-O 3.39Å; R89-T145 VanDerWaalsContact CD-C 3.49Å; R89-L146 HydrophobicContact CG-CD2 4.43Å; R89-L149 HydrophobicContact CG-CD2 4.02Å; R89-D338 PolarHBondContact NH1-O 3.46Å; R89-E361 IonicContact CZ-OE1 2.72Å; R89-E361 IonicContact CZ-OE2 2.74Å; R89-E361 IonicContact NE-OE1 2.83Å; R89-E361 PolarHBondContact NE-OE1 2.89Å; R89-E361 IonicContact NE-OE2 3.42Å; R89-E361 IonicContact NH2-OE1 3.15Å; R89-E361 PolarHBondContact NH2-OE1 3.42Å; R89-E361 IonicContact NH2-OE2 3.03Å; R89-E361 PolarHBondContact NH2-OE2 2.78Å; R89-I427 HydrophobicContact CB-CD1 3.76Å; R89-F437 HydrophobicContact CB-CD2 4.41Å; R89-F437 HydrophobicContact CB-CE2 4.26Å
90G94.9Very high97Very high6 Ų626.5 Ų26.56%0.06215%0.145CC..THydrogen-bonded Turntrans88.81.8178.800000115.5M143 N144G90-M143 PolarHBondContact N-O 3.44Å; G90-N144 VanDerWaalsContact CA-OD1 3.29Å; G90-N144 WeakPolarHBondContact CA-OD1 3.4Å
91L97.3Very high97Very high1 Ų125 Ų251%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-68.2144.2171.8-63.4173.6000110.6L88 L100 K102 M143 T152 L424L88-L91 HydrophobicContact CB-CD1 4.07Å; L88-L91 HydrophobicContact CB-CG 4.17Å; L88-L91 WeakPolarHBondContact O-CD1 3.41Å; L88-L91 VanDerWaalsContact O-CG 3.32Å; L88-L91 WeakPolarHBondContact O-CG 3.31Å; L91-L100 HydrophobicContact CB-CD2 4.36Å; L91-L100 HydrophobicContact CD1-CD1 4.41Å; L91-K102 HydrophobicContact CD2-CB 3.91Å; L91-K102 HydrophobicContact CD2-CG 4.29Å; L91-M143 WeakPolarHBondContact O-CB 3.16Å; L91-M143 PolarHBondContact O-N 3.06Å; L91-T152 HydrophobicContact CD1-CG2 4.02Å; L91-L424 HydrophobicContact CD1-CD1 3.46Å; L91-L424 VanDerWaalsContact CD1-CD1 3.46Å; L91-L424 HydrophobicContact CD2-CD1 4.1Å; L91-L424 HydrophobicContact CG-CD1 4.38Å
92W97.8Very high97Very high8 Ų820.2 Ų20.23%0.0311%0.109CC..EExtended strand (participates in β ladder)trans-99.2122.8172.9-7225.8000108.2L100 L101 M103 V133 Y135 I140 E141 I142 F436W92-L100 CarbonylContact O-C 3.55Å; W92-L100 WeakPolarHBondContact O-CA 3.25Å; W92-L101 HydrophobicContact CB-CB 4.18Å; W92-L101 PolarHBondContact N-O 2.82Å; W92-L101 PolarHBondContact O-N 2.96Å; W92-M103 HydrophobicContact CB-CG 4.2Å; W92-M103 HydrophobicContact CD2-CG 3.66Å; W92-M103 HydrophobicContact CE3-CE 4.39Å; W92-M103 HydrophobicContact CE3-CG 4Å; W92-M103 HydrophobicContact CG-CG 3.73Å; W92-M103 HydrophobicContact CZ3-CE 4.43Å; W92-V133 HydrophobicContact CE3-CG1 4.28Å; W92-V133 HydrophobicContact CZ3-CB 4.25Å; W92-V133 HydrophobicContact CZ3-CG1 4.08Å; W92-Y135 HydrophobicContact CH2-CD2 4.23Å; W92-Y135 HydrophobicContact CH2-CG 4.36Å; W92-Y135 HydrophobicContact CZ2-CD2 4.39Å; W92-Y135 HydrophobicContact CZ3-CD2 4.42Å; W92-I140 HydrophobicContact CB-CG2 3.82Å; W92-I140 HydrophobicContact CD2-CG2 3.7Å; W92-I140 HydrophobicContact CE3-CB 4.49Å; W92-I140 HydrophobicContact CE3-CG1 4.33Å; W92-I140 HydrophobicContact CE3-CG2 3.54Å; W92-I140 HydrophobicContact CG-CG2 3.87Å; W92-I140 HydrophobicContact CZ3-CG2 4.33Å; W92-E141 CarbonylContact C-O 3.57Å; W92-E141 WeakPolarHBondContact CA-O 3.4Å; W92-I142 HydrophobicContact CG-CG1 4.47Å; W92-I142 HydrophobicContact CZ2-CD1 4.42Å; W92-F436 HydrophobicContact CZ2-CD2 4.09Å; W92-F436 HydrophobicContact CZ2-CE1 4.42Å; W92-F436 AromaticContact CZ2-CE2 3.98Å; W92-F436 HydrophobicContact CZ2-CE2 3.98Å; W92-F436 HydrophobicContact CZ2-CG 4.35Å; W92-F436 HydrophobicContact CZ2-CZ 4.15Å; W92-F436 AromaticContact NE1-CD1 3.45Å; W92-F436 AromaticContact NE1-CE1 3.68Å; W92-F436 AromaticContact NE1-CG 3.85Å
93F98.4Very high96.9Very high2 Ų219.5 Ų19.51%0.00911%0.107CC..EExtended strand (participates in β ladder)trans-93.8116.2170.1-178.1-93.9000109.3R95 T99 L100 I140 E141 M143 L155 I159 Y188F93-R95 HydrophobicContact CD1-CG 4.01Å; F93-R95 HydrophobicContact CE1-CB 4.47Å; F93-R95 HydrophobicContact CE1-CG 4.03Å; F93-T99 WeakPolarHBondContact CA-O 3.32Å; F93-L100 HydrophobicContact CB-CD2 3.99Å; F93-L100 HydrophobicContact CD2-CD2 3.78Å; F93-L100 HydrophobicContact CD2-CG 4.27Å; F93-L100 HydrophobicContact CG-CD2 4.4Å; F93-I140 WeakPolarHBondContact O-CA 3.46Å; F93-E141 HydrophobicContact CB-CB 4.31Å; F93-E141 PolarHBondContact N-O 3.41Å; F93-E141 PolarHBondContact O-N 2.79Å; F93-M143 HydrophobicContact CB-CE 3.74Å; F93-M143 HydrophobicContact CG-CE 4.21Å; F93-L155 HydrophobicContact CD2-CD1 4.32Å; F93-L155 HydrophobicContact CE2-CB 4.45Å; F93-L155 HydrophobicContact CE2-CD1 4.4Å; F93-L155 HydrophobicContact CG-CD1 4.47Å; F93-L155 HydrophobicContact CZ-CD2 4.33Å; F93-I159 HydrophobicContact CE2-CD1 3.62Å; F93-I159 HydrophobicContact CZ-CD1 3.78Å; F93-Y188 AromaticContact CD1-CD2 3.62Å; F93-Y188 HydrophobicContact CD1-CD2 3.62Å; F93-Y188 HydrophobicContact CD1-CE2 4.23Å; F93-Y188 HydrophobicContact CD1-CG 4.19Å; F93-Y188 AromaticContact CE1-CD2 3.63Å; F93-Y188 HydrophobicContact CE1-CD2 3.63Å; F93-Y188 AromaticContact CE1-CG 3.85Å; F93-Y188 HydrophobicContact CE1-CG 3.85Å
94D98.3Very high96.9Very high0 Ų016.5 Ų16.50%09%0.091CC..EExtended strand (participates in β ladder)trans-88.1107.9175-172.5-10.4000110.4L96 Y97 G98 T99 L101 Y128 R139 I140D94-L96 PolarHBondContact O-N 3.25Å; D94-L96 WeakPolarHBondContact OD1-CB 3.14Å; D94-L96 PolarHBondContact OD1-N 2.95Å; D94-Y97 PolarHBondContact O-N 3.11Å; D94-Y97 WeakPolarHBondContact OD2-CD2 3.34Å; D94-G98 WeakPolarHBondContact O-CA 3.39Å; D94-G98 PolarHBondContact O-N 2.95Å; D94-T99 PolarHBondContact N-O 3.38Å; D94-T99 PolarHBondContact O-N 2.95Å; D94-L101 HydrophobicContact CB-CD1 4.37Å; D94-Y128 WeakPolarHBondContact OD2-CE1 3.24Å; D94-Y128 PolarHBondContact OD2-OH 2.9Å; D94-R139 VanDerWaalsContact OD1-CG 3.26Å; D94-R139 WeakPolarHBondContact OD1-CG 3.47Å; D94-R139 IonicContact OD1-CZ 3.52Å; D94-R139 IonicContact OD1-NE 3.14Å; D94-R139 PolarHBondContact OD1-NE 2.89Å; D94-R139 IonicContact OD1-NH2 2.72Å; D94-R139 IonicContact OD2-CZ 2.67Å; D94-R139 VanDerWaalsContact OD2-CZ 3.28Å; D94-R139 IonicContact OD2-NE 3.24Å; D94-R139 PolarHBondContact OD2-NE 2.88Å; D94-R139 VanDerWaalsContact OD2-NE 3.08Å; D94-R139 IonicContact OD2-NH2 3.36Å; D94-R139 PolarHBondContact OD2-NH2 2.83Å; D94-I140 HydrophobicContact CB-CD1 3.8Å
95R98.2Very high96.8Very high54 Ų5417.2 Ų17.220%0.2049%0.088CC..THydrogen-bonded Turntrans-64.7-22179.3-59.3174.9-168.8176.51.8112.6F93 R139 E141 Y184 A185 Y188F93-R95 HydrophobicContact CD1-CG 4.01Å; F93-R95 HydrophobicContact CE1-CB 4.47Å; F93-R95 HydrophobicContact CE1-CG 4.03Å; R95-R139 VanDerWaalsContact CB-O 3.3Å; R95-R139 WeakPolarHBondContact CB-O 3.45Å; R95-R139 VanDerWaalsContact CG-O 3.26Å; R95-R139 WeakPolarHBondContact CG-O 3.43Å; R95-R139 PolarHBondContact N-O 3.34Å; R95-E141 IonicContact CZ-OE2 2.64Å; R95-E141 IonicContact NH2-OE2 2.72Å; R95-E141 PolarHBondContact NH2-OE2 3.2Å; R95-Y184 CarbonylContact O-C 3.6Å; R95-Y184 WeakPolarHBondContact O-CB 3.37Å; R95-A185 HydrophobicContact CB-CB 4.3Å; R95-A185 PolarHBondContact O-N 3.4Å; R95-A185 VanDerWaalsContact O-N 3.08Å; R95-Y188 HydrophobicContact CG-CD1 3.94Å; R95-Y188 HydrophobicContact CG-CE1 4.42Å; R95-Y188 HydrophobicContact CG-CG 4.04Å; R95-Y188 PolarHBondContact NH2-OH 2.86Å
96L97.6Very high96.8Very high61 Ų6120.7 Ų20.732%0.31910%0.096SC..THydrogen-bonded Turntrans-75.1-41.7179.8-175.464.1000112.2D94 R139 H173D94-L96 PolarHBondContact O-N 3.25Å; D94-L96 WeakPolarHBondContact OD1-CB 3.14Å; D94-L96 PolarHBondContact OD1-N 2.95Å; L96-R139 HydrophobicContact CB-CG 4.22Å; L96-H173 WeakPolarHBondContact CD1-ND1 3.4Å; L96-H173 WeakPolarHBondContact O-CA 3.19Å; L96-H173 PolarHBondContact O-ND1 3.48Å; L96-H173 VanDerWaalsContact O-ND1 3.14Å
97Y97.8Very high96.8Very high25 Ų2520.4 Ų20.410%0.09810%0.098CC..THydrogen-bonded Turntrans-109.8-5-174.5-68.5-55.8000114.2D94 T99 R114 M127 Y128 R139 E172 H173 Y184D94-Y97 PolarHBondContact O-N 3.11Å; D94-Y97 WeakPolarHBondContact OD2-CD2 3.34Å; Y97-T99 VanDerWaalsContact C-N 3.3Å; Y97-T99 PolarHBondContact O-N 3.49Å; Y97-R114 PolarHBondContact O-NE 3.49Å; Y97-R114 PolarHBondContact O-NH2 3.19Å; Y97-M127 HydrophobicContact CD1-CG 4.33Å; Y97-M127 HydrophobicContact CD1-SD 4.34Å; Y97-M127 HydrophobicContact CD2-CB 4.23Å; Y97-M127 HydrophobicContact CE1-CB 4.45Å; Y97-M127 HydrophobicContact CE1-CG 4.32Å; Y97-M127 HydrophobicContact CE2-CB 4.06Å; Y97-M127 WeakPolarHBondContact CE2-O 3.36Å; Y97-M127 HydrophobicContact CG-CB 4.49Å; Y97-M127 HydrophobicContact CG-SD 4.39Å; Y97-Y128 AromaticContact CD2-CE1 3.98Å; Y97-Y128 HydrophobicContact CD2-CE1 3.98Å; Y97-Y128 HydrophobicContact CD2-CE2 4.31Å; Y97-Y128 AromaticContact CD2-CZ 3.7Å; Y97-Y128 HydrophobicContact CE2-CE1 4.28Å; Y97-R139 VanDerWaalsContact CE2-NH2 3.28Å; Y97-E172 HydrophobicContact CE1-CG 4.07Å; Y97-H173 AromaticContact CD1-ND1 3.87Å; Y97-H173 AromaticContact CE1-CE1 3.57Å; Y97-H173 AromaticContact CE1-ND1 3.73Å; Y97-Y184 VanDerWaalsContact O-CD2 3.28Å; Y97-Y184 WeakPolarHBondContact O-CD2 3.29Å; Y97-Y184 WeakPolarHBondContact O-CE2 3.38Å
98G97.9Very high96.8Very high1 Ų121.9 Ų21.91%0.0111%0.105CC..THydrogen-bonded Turntrans63.438.1-177.600000112.1D94 Y184D94-G98 WeakPolarHBondContact O-CA 3.39Å; D94-G98 PolarHBondContact O-N 2.95Å; G98-Y184 VanDerWaalsContact CA-CB 3.49Å
99T98.3Very high97Very high0 Ų021.3 Ų21.30%010%0.102CC..EExtended strand (participates in β ladder)trans-116.9142.1-174.755.40000112.4F93 D94 Y97 L113 R114 Y128F93-T99 WeakPolarHBondContact CA-O 3.32Å; D94-T99 PolarHBondContact N-O 3.38Å; D94-T99 PolarHBondContact O-N 2.95Å; Y97-T99 VanDerWaalsContact C-N 3.3Å; Y97-T99 PolarHBondContact O-N 3.49Å; T99-L113 CarbonylContact C-O 3.52Å; T99-L113 WeakPolarHBondContact CA-O 3.33Å; T99-L113 WeakPolarHBondContact CB-O 3.12Å; T99-R114 HydrophobicContact CG2-CB 4.13Å; T99-Y128 PolarHBondContact OG1-OH 2.98Å
100L98.2Very high97Very high4 Ų422.8 Ų22.82%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-89.3128.4164.2-71173.8000109.6F86 L91 W92 F93 C112 L113 T152 S156F86-L100 HydrophobicContact CE1-CD1 3.94Å; F86-L100 HydrophobicContact CZ-CD1 4.2Å; L91-L100 HydrophobicContact CB-CD2 4.36Å; L91-L100 HydrophobicContact CD1-CD1 4.41Å; W92-L100 CarbonylContact O-C 3.55Å; W92-L100 WeakPolarHBondContact O-CA 3.25Å; F93-L100 HydrophobicContact CB-CD2 3.99Å; F93-L100 HydrophobicContact CD2-CD2 3.78Å; F93-L100 HydrophobicContact CD2-CG 4.27Å; F93-L100 HydrophobicContact CG-CD2 4.4Å; L100-C112 CarbonylContact O-C 3.55Å; L100-C112 WeakPolarHBondContact O-CA 3.38Å; L100-L113 PolarHBondContact N-O 3.38Å; L100-L113 PolarHBondContact O-N 2.99Å; L100-T152 HydrophobicContact CD1-CG2 3.82Å; L100-T152 HydrophobicContact CD2-CG2 4.02Å; L100-S156 WeakPolarHBondContact CD1-OG 3.38Å
101L97.9Very high97Very high0 Ų023.5 Ų23.50%011%0.114CC..EExtended strand (participates in β ladder)trans-116.7124.3-179.4-47.6175.4000109.4W92 D94 M103 I109 S111 C112 Y128 V133W92-L101 HydrophobicContact CB-CB 4.18Å; W92-L101 PolarHBondContact N-O 2.82Å; W92-L101 PolarHBondContact O-N 2.96Å; D94-L101 HydrophobicContact CB-CD1 4.37Å; L101-M103 HydrophobicContact CB-CG 4.25Å; L101-M103 HydrophobicContact CB-SD 3.56Å; L101-M103 VanDerWaalsContact CB-SD 3.56Å; L101-M103 HydrophobicContact CD1-SD 4.19Å; L101-M103 HydrophobicContact CG-SD 4.5Å; L101-I109 HydrophobicContact CD2-CD1 4.33Å; L101-I109 HydrophobicContact CD2-CG2 4.49Å; L101-S111 WeakPolarHBondContact CA-O 3.48Å; L101-C112 HydrophobicContact CD2-CB 3.75Å; L101-C112 WeakPolarHBondContact CD2-SG 3.36Å; L101-Y128 HydrophobicContact CD1-CE1 4.13Å; L101-Y128 HydrophobicContact CD2-CE2 4.07Å; L101-V133 HydrophobicContact CD1-CG2 3.98Å
102K97.3Very high97Very high4 Ų423.7 Ų23.72%0.01712%0.116CC..EExtended strand (participates in β ladder)trans-87.1118.4163.2-167.8177.8-178.8176.60107.1L91 L110 S111 E418 L424 S426 R429L91-K102 HydrophobicContact CD2-CB 3.91Å; L91-K102 HydrophobicContact CD2-CG 4.29Å; K102-L110 HydrophobicContact CB-CB 4.36Å; K102-L110 HydrophobicContact CG-CB 4.38Å; K102-L110 HydrophobicContact CG-CD1 4.25Å; K102-L110 WeakPolarHBondContact O-CA 3.46Å; K102-L110 WeakPolarHBondContact O-CB 3.37Å; K102-L110 PolarHBondContact O-N 3.15Å; K102-S111 WeakPolarHBondContact CB-OG 3.28Å; K102-S111 PolarHBondContact N-O 3.05Å; K102-S111 PolarHBondContact O-N 3.21Å; K102-E418 IonicContact NZ-OE2 3.48Å; K102-E418 PolarHBondContact NZ-OE2 3.46Å; K102-E418 VanDerWaalsContact NZ-OE2 3.15Å; K102-L424 PolarHBondContact NZ-O 3.29Å; K102-S426 VanDerWaalsContact CE-O 3.31Å; K102-S426 WeakPolarHBondContact CE-O 3.32Å; K102-S426 PolarHBondContact NZ-O 3.08Å; K102-R429 PolarHBondContact NZ-O 3.07Å
103M97.2Very high97Very high2 Ų223.4 Ų23.41%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-106.6150.1-174.3-56-56.2-71.900111.4W92 L101 G107 N108 I109 L110 V133 T435 F436W92-M103 HydrophobicContact CB-CG 4.2Å; W92-M103 HydrophobicContact CD2-CG 3.66Å; W92-M103 HydrophobicContact CE3-CE 4.39Å; W92-M103 HydrophobicContact CE3-CG 4Å; W92-M103 HydrophobicContact CG-CG 3.73Å; W92-M103 HydrophobicContact CZ3-CE 4.43Å; L101-M103 HydrophobicContact CB-CG 4.25Å; L101-M103 HydrophobicContact CB-SD 3.56Å; L101-M103 VanDerWaalsContact CB-SD 3.56Å; L101-M103 HydrophobicContact CD1-SD 4.19Å; L101-M103 HydrophobicContact CG-SD 4.5Å; M103-G107 VanDerWaalsContact CE-C 3.42Å; M103-G107 WeakPolarHBondContact CE-O 3.44Å; M103-N108 CarbonylContact C-O 3.41Å; M103-N108 WeakPolarHBondContact CA-O 3.31Å; M103-I109 HydrophobicContact CE-CG1 3.93Å; M103-I109 HydrophobicContact SD-CB 4.35Å; M103-I109 HydrophobicContact SD-CG1 3.78Å; M103-L110 WeakPolarHBondContact O-CD1 3.42Å; M103-V133 HydrophobicContact CE-CB 3.95Å; M103-V133 HydrophobicContact CE-CG2 4.24Å; M103-T435 CarbonylContact O-C 3.01Å; M103-T435 WeakPolarHBondContact O-CA 3.43Å; M103-F436 HydrophobicContact CB-CB 4.02Å; M103-F436 PolarHBondContact O-N 3.29Å
104D96.7Very high97Very high1 Ų123.5 Ų23.51%0.00512%0.115CC..BIsolated β-bridgetrans-85177.5165.880.40.5000112F106 G107 N108 L110 R433 H434D104-F106 PolarHBondContact O-N 2.84Å; D104-F106 VanDerWaalsContact OD1-C 3.29Å; D104-F106 WeakPolarHBondContact OD1-CA 2.95Å; D104-F106 PolarHBondContact OD1-N 3.42Å; D104-G107 PolarHBondContact O-N 3.29Å; D104-G107 PolarHBondContact OD1-N 3.25Å; D104-N108 PolarHBondContact N-O 2.9Å; D104-N108 PolarHBondContact OD1-N 3.34Å; D104-N108 PolarHBondContact OD1-ND2 3.4Å; D104-N108 WeakPolarHBondContact OD2-CB 3.4Å; D104-N108 PolarHBondContact OD2-ND2 2.98Å; D104-L110 HydrophobicContact CB-CD1 4.05Å; D104-L110 HydrophobicContact CB-CD2 4Å; D104-L110 HydrophobicContact CB-CG 4Å; D104-R433 IonicContact OD2-CZ 3.85Å; D104-R433 IonicContact OD2-NE 2.68Å; D104-R433 PolarHBondContact OD2-NE 3.02Å; D104-R433 IonicContact OD2-NH1 2.71Å; D104-R433 PolarHBondContact OD2-NH1 3.1Å; D104-R433 IonicContact OD2-NH2 3.44Å; D104-R433 PolarHBondContact OD2-NH2 3.35Å; D104-H434 VanDerWaalsContact CA-O 3.32Å; D104-H434 WeakPolarHBondContact CA-O 3.28Å; D104-H434 WeakPolarHBondContact CB-O 3.34Å
105Q94.7Very high96.9Very high78 Ų7823.7 Ų23.736%0.36412%0.117SC..THydrogen-bonded Turntrans-64.1-14178.470.6-174.6-21.100115.4H434 S439Q105-H434 HydrophobicContact CB-CB 4.47Å; Q105-H434 PolarHBondContact N-O 2.84Å; Q105-S439 VanDerWaalsContact CB-CB 3.42Å
106F94.7Very high96.9Very high131 Ų13124 Ų2458%0.57512%0.12SC*.THydrogen-bonded Turntrans-109.39.1-176.4-54.2-66000112.2D104 F132D104-F106 PolarHBondContact O-N 2.84Å; D104-F106 VanDerWaalsContact OD1-C 3.29Å; D104-F106 WeakPolarHBondContact OD1-CA 2.95Å; D104-F106 PolarHBondContact OD1-N 3.42Å; F106-F132 WeakPolarHBondContact O-CE2 3.15Å
107G95.1Very high96.8Very high10 Ų1023.9 Ų23.910%0.10312%0.119CC..SBendtrans79.613.8-17900000114.6M103 D104 F132 V133M103-G107 VanDerWaalsContact CE-C 3.42Å; M103-G107 WeakPolarHBondContact CE-O 3.44Å; D104-G107 PolarHBondContact O-N 3.29Å; D104-G107 PolarHBondContact OD1-N 3.25Å; G107-F132 VanDerWaalsContact O-CA 3.27Å; G107-F132 WeakPolarHBondContact O-CA 3.28Å; G107-F132 WeakPolarHBondContact O-CD2 3.28Å; G107-V133 PolarHBondContact O-N 2.94Å
108N97.1Very high96.7Very high43 Ų4328.6 Ų28.623%0.2314%0.141CC..BIsolated β-bridgetrans-85.9144.7171-51.5-74.4000111.5M103 D104 L110 K131 R433M103-N108 CarbonylContact C-O 3.41Å; M103-N108 WeakPolarHBondContact CA-O 3.31Å; D104-N108 PolarHBondContact N-O 2.9Å; D104-N108 PolarHBondContact OD1-N 3.34Å; D104-N108 PolarHBondContact OD1-ND2 3.4Å; D104-N108 WeakPolarHBondContact OD2-CB 3.4Å; D104-N108 PolarHBondContact OD2-ND2 2.98Å; N108-L110 PolarHBondContact O-N 3.45Å; N108-K131 CarbonylContact C-O 3.58Å; N108-K131 VanDerWaalsContact CA-O 3.32Å; N108-K131 WeakPolarHBondContact CA-O 3.36Å; N108-R433 PolarHBondContact ND2-NH2 3.12Å
109I97.4Very high96.6Very high13 Ų1329.6 Ų29.67%0.06715%0.146CC..EExtended strand (participates in β ladder)trans-75.8120.6176.4-57.9172.3000109.4L101 M103 S111 C112 L124 Y128 K131 V133L101-I109 HydrophobicContact CD2-CD1 4.33Å; L101-I109 HydrophobicContact CD2-CG2 4.49Å; M103-I109 HydrophobicContact CE-CG1 3.93Å; M103-I109 HydrophobicContact SD-CB 4.35Å; M103-I109 HydrophobicContact SD-CG1 3.78Å; I109-S111 WeakPolarHBondContact CG2-O 3.32Å; I109-C112 HydrophobicContact CG2-CB 4.02Å; I109-L124 HydrophobicContact CD1-CD1 4.13Å; I109-L124 HydrophobicContact CG2-CD1 4.33Å; I109-Y128 HydrophobicContact CD1-CD1 3.87Å; I109-Y128 HydrophobicContact CD1-CD2 3.7Å; I109-Y128 HydrophobicContact CD1-CE1 4.4Å; I109-Y128 HydrophobicContact CD1-CE2 4.25Å; I109-Y128 HydrophobicContact CD1-CG 3.47Å; I109-Y128 VanDerWaalsContact CD1-CG 3.47Å; I109-K131 PolarHBondContact N-O 2.69Å; I109-V133 HydrophobicContact CD1-CG2 3.98Å; I109-V133 HydrophobicContact CG1-CG2 4.19Å
110L95.1Very high96.4Very high34 Ų3436.3 Ų36.318%0.17818%0.177CC..EExtended strand (participates in β ladder)trans-85.4-46.4170.8-62.9169.1000110.7K102 M103 D104 N108 N430 R433 T435K102-L110 HydrophobicContact CB-CB 4.36Å; K102-L110 HydrophobicContact CG-CB 4.38Å; K102-L110 HydrophobicContact CG-CD1 4.25Å; K102-L110 WeakPolarHBondContact O-CA 3.46Å; K102-L110 WeakPolarHBondContact O-CB 3.37Å; K102-L110 PolarHBondContact O-N 3.15Å; M103-L110 WeakPolarHBondContact O-CD1 3.42Å; D104-L110 HydrophobicContact CB-CD1 4.05Å; D104-L110 HydrophobicContact CB-CD2 4Å; D104-L110 HydrophobicContact CB-CG 4Å; N108-L110 PolarHBondContact O-N 3.45Å; L110-N430 HydrophobicContact CB-CB 4.45Å; L110-N430 HydrophobicContact CD1-CB 3.75Å; L110-N430 HydrophobicContact CD2-CB 4.15Å; L110-N430 HydrophobicContact CG-CB 4.34Å; L110-R433 HydrophobicContact CD2-CB 4.42Å; L110-T435 HydrophobicContact CD1-CG2 4.26Å
111S94.7Very high96.1Very high22 Ų2243.2 Ų43.215%0.15420%0.203CC..EExtended strand (participates in β ladder)trans-146.9153.717362.30000110.7L101 K102 I109L101-S111 WeakPolarHBondContact CA-O 3.48Å; K102-S111 WeakPolarHBondContact CB-OG 3.28Å; K102-S111 PolarHBondContact N-O 3.05Å; K102-S111 PolarHBondContact O-N 3.21Å; I109-S111 WeakPolarHBondContact CG2-O 3.32Å
112C97.4Very high95.9Very high5 Ų549.2 Ų49.23%0.03423%0.231CC..EExtended strand (participates in β ladder)trans-137.9130.8-178.9176.10000108.8L100 L101 I109 I119 L124L100-C112 CarbonylContact O-C 3.55Å; L100-C112 WeakPolarHBondContact O-CA 3.38Å; L101-C112 HydrophobicContact CD2-CB 3.75Å; L101-C112 WeakPolarHBondContact CD2-SG 3.36Å; I109-C112 HydrophobicContact CG2-CB 4.02Å; C112-I119 HydrophobicContact CB-CB 4.23Å; C112-I119 HydrophobicContact CB-CG1 4.44Å; C112-I119 PolarHBondContact O-N 3.09Å; C112-L124 HydrophobicContact CB-CD1 3.5Å
113L97.6Very high95.8Very high1 Ų151.9 Ų51.91%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-128.2144180-59.691.1000110.1F86 T99 L100 N117 F118 L424F86-L113 HydrophobicContact CE2-CD2 3.95Å; F86-L113 HydrophobicContact CZ-CD2 4.16Å; T99-L113 CarbonylContact C-O 3.52Å; T99-L113 WeakPolarHBondContact CA-O 3.33Å; T99-L113 WeakPolarHBondContact CB-O 3.12Å; L100-L113 PolarHBondContact N-O 3.38Å; L100-L113 PolarHBondContact O-N 2.99Å; L113-N117 CarbonylContact C-O 3.59Å; L113-N117 VanDerWaalsContact CA-O 3.27Å; L113-N117 WeakPolarHBondContact CA-O 3.43Å; L113-F118 HydrophobicContact CD1-CD1 4.31Å; L113-F118 HydrophobicContact CD1-CE1 4.04Å; L113-F118 HydrophobicContact CD2-CD1 4.21Å; L113-F118 HydrophobicContact CD2-CD2 4.24Å; L113-F118 HydrophobicContact CD2-CE1 3.98Å; L113-F118 HydrophobicContact CD2-CE2 4.01Å; L113-F118 HydrophobicContact CD2-CG 4.35Å; L113-F118 HydrophobicContact CD2-CZ 3.88Å; L113-F118 HydrophobicContact CG-CD1 3.95Å; L113-F118 HydrophobicContact CG-CE1 4.01Å; L113-F118 HydrophobicContact CG-CG 4.32Å; L113-F118 HydrophobicContact CG-CZ 4.42Å; L113-L424 HydrophobicContact CD1-CD2 3.49Å; L113-L424 VanDerWaalsContact CD1-CD2 3.49Å; L113-L424 HydrophobicContact CD2-CD2 3.78Å; L113-L424 HydrophobicContact CG-CD2 4.31Å
114R97.4Very high95.8Very high5 Ų552.5 Ų52.52%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-116.1109.8164.8-176.5174.3-78136-11.4108.3Y97 T99 F116 N117 I119 E123 M127 I159 V163 Y184Y97-R114 PolarHBondContact O-NE 3.49Å; Y97-R114 PolarHBondContact O-NH2 3.19Å; T99-R114 HydrophobicContact CG2-CB 4.13Å; R114-F116 PolarHBondContact O-N 3.44Å; R114-N117 PolarHBondContact N-O 3.45Å; R114-N117 PolarHBondContact O-N 3.08Å; R114-N117 VanDerWaalsContact O-N 3.16Å; R114-I119 HydrophobicContact CB-CD1 3.79Å; R114-I119 HydrophobicContact CB-CG1 4.47Å; R114-E123 IonicContact NH1-OE1 3.9Å; R114-E123 PolarHBondContact NH1-OE1 3.14Å; R114-M127 PolarHBondContact NH2-SD 3.03Å; R114-I159 HydrophobicContact CG-CG2 3.68Å; R114-V163 HydrophobicContact CG-CG2 4.25Å; R114-Y184 WeakPolarHBondContact CD-OH 3.34Å
115G96.8Very high95.7Very high4 Ų458.9 Ų58.94%0.04127%0.271CS..THydrogen-bonded Turntrans59.3-129.2-159.800000109.7S156G115-S156 VanDerWaalsContact CA-O 3.32Å; G115-S156 WeakPolarHBondContact CA-O 3.28Å
116F97.2Very high95.7Very high59 Ų5959.3 Ų59.326%0.25928%0.282SS..THydrogen-bonded Turntrans-90.3-1.9174.2-52.5-57.7000114.9F86 R114 Y153 C157 H160F86-F116 HydrophobicContact CD1-CE1 4.16Å; F86-F116 AromaticContact CD2-CD1 3.83Å; F86-F116 HydrophobicContact CD2-CD1 3.83Å; F86-F116 HydrophobicContact CD2-CE1 4.07Å; F86-F116 HydrophobicContact CE1-CD1 4.24Å; F86-F116 HydrophobicContact CE1-CE1 4.06Å; F86-F116 AromaticContact CE2-CD1 3.48Å; F86-F116 HydrophobicContact CE2-CD1 3.48Å; F86-F116 VanDerWaalsContact CE2-CD1 3.48Å; F86-F116 HydrophobicContact CE2-CE1 4.01Å; F86-F116 HydrophobicContact CG-CD1 4.36Å; F86-F116 HydrophobicContact CG-CE1 4.15Å; F86-F116 AromaticContact CZ-CD1 3.68Å; F86-F116 HydrophobicContact CZ-CD1 3.68Å; F86-F116 AromaticContact CZ-CE1 3.98Å; F86-F116 HydrophobicContact CZ-CE1 3.98Å; R114-F116 PolarHBondContact O-N 3.44Å; F116-Y153 AromaticContact CE1-CD2 4Å; F116-Y153 HydrophobicContact CE1-CD2 4Å; F116-Y153 AromaticContact CE1-CE2 3.57Å; F116-Y153 HydrophobicContact CE1-CE2 3.57Å; F116-Y153 HydrophobicContact CZ-CD2 4.25Å; F116-Y153 AromaticContact CZ-CE2 3.64Å; F116-Y153 HydrophobicContact CZ-CE2 3.64Å; F116-Y153 AromaticContact CZ-CZ 4Å; F116-C157 HydrophobicContact CZ-CB 4.49Å; F116-H160 HydrophobicContact CD2-CB 3.7Å; F116-H160 AromaticContact CD2-CD2 3.71Å; F116-H160 AromaticContact CD2-CG 3.44Å; F116-H160 VanDerWaalsContact CD2-CG 3.44Å; F116-H160 AromaticContact CD2-ND1 3.72Å; F116-H160 HydrophobicContact CE2-CB 4.08Å; F116-H160 HydrophobicContact CG-CB 4.45Å; F116-H160 PolarHBondContact N-ND1 2.67Å
117N96.2Very high95.8Very high59 Ų5953.9 Ų53.932%0.31626%0.259SS..EExtended strand (participates in β ladder)trans-85.9119.5-176.1-65.3-19.9000110.2L113 R114 I119 H160 N164L113-N117 CarbonylContact C-O 3.59Å; L113-N117 VanDerWaalsContact CA-O 3.27Å; L113-N117 WeakPolarHBondContact CA-O 3.43Å; R114-N117 PolarHBondContact N-O 3.45Å; R114-N117 PolarHBondContact O-N 3.08Å; R114-N117 VanDerWaalsContact O-N 3.16Å; N117-I119 PolarHBondContact O-N 2.92Å; N117-H160 PolarHBondContact OD1-CE1 2.98Å; N117-H160 VanDerWaalsContact OD1-CE1 3.29Å; N117-N164 PolarHBondContact ND2-ND2 2.87Å; N117-N164 PolarHBondContact ND2-OD1 2.88Å
118F95.8Very high95.9Very high124 Ų12453.7 Ų53.754%0.54426%0.255SS..EExtended strand (participates in β ladder)trans-65.8128.6169.9-76.1-88.4000110.6L113 L424L113-F118 HydrophobicContact CD1-CD1 4.31Å; L113-F118 HydrophobicContact CD1-CE1 4.04Å; L113-F118 HydrophobicContact CD2-CD1 4.21Å; L113-F118 HydrophobicContact CD2-CD2 4.24Å; L113-F118 HydrophobicContact CD2-CE1 3.98Å; L113-F118 HydrophobicContact CD2-CE2 4.01Å; L113-F118 HydrophobicContact CD2-CG 4.35Å; L113-F118 HydrophobicContact CD2-CZ 3.88Å; L113-F118 HydrophobicContact CG-CD1 3.95Å; L113-F118 HydrophobicContact CG-CE1 4.01Å; L113-F118 HydrophobicContact CG-CG 4.32Å; L113-F118 HydrophobicContact CG-CZ 4.42Å; F118-L424 HydrophobicContact CE1-CD2 4.44Å; F118-L424 HydrophobicContact CZ-CD2 4.23Å
119I96.5Very high95.7Very high23 Ų2356.3 Ų56.312%0.11827%0.274CS..PPolyproline II helixtrans-77.9125.8178.8-60.2-54000109.8C112 R114 N117 E123 L124 M127C112-I119 HydrophobicContact CB-CB 4.23Å; C112-I119 HydrophobicContact CB-CG1 4.44Å; C112-I119 PolarHBondContact O-N 3.09Å; R114-I119 HydrophobicContact CB-CD1 3.79Å; R114-I119 HydrophobicContact CB-CG1 4.47Å; N117-I119 PolarHBondContact O-N 2.92Å; I119-E123 HydrophobicContact CG2-CB 3.89Å; I119-E123 HydrophobicContact CG2-CG 4.04Å; I119-L124 HydrophobicContact CG2-CB 3.89Å; I119-L124 HydrophobicContact CG2-CD1 4.43Å; I119-M127 HydrophobicContact CB-CE 4.28Å; I119-M127 HydrophobicContact CD1-CE 4.4Å; I119-M127 HydrophobicContact CG1-CE 4.05Å; I119-M127 HydrophobicContact CG2-CE 3.36Å
120Q94.1Very high95.5Very high141 Ų14162.1 Ų62.166%0.65931%0.306SS*.PPolyproline II helixtrans-70160.5177.7-62.4-173.718.900111.8E122 E123 L124Q120-E122 VanDerWaalsContact C-N 3.27Å; Q120-E122 PolarHBondContact O-N 2.76Å; Q120-E123 PolarHBondContact O-N 3.4Å; Q120-L124 VanDerWaalsContact O-CB 3.26Å; Q120-L124 WeakPolarHBondContact O-CB 3.42Å; Q120-L124 PolarHBondContact O-N 3.08Å
121R92Very high95.5Very high149 Ų14963.4 Ų63.456%0.56231%0.31SS*.Hα-helixtrans-60.4-36-169.8-178.3178.7-70.7-174.3-1.6113.1R125R121-R125 WeakPolarHBondContact O-CB 3.33Å; R121-R125 VanDerWaalsContact O-CG 3.3Å; R121-R125 WeakPolarHBondContact O-CG 3.06Å; R121-R125 PolarHBondContact O-N 2.64Å
122E93.6Very high95.5Very high126 Ų12667.1 Ų67.159%0.58932%0.323SS*.Hα-helixtrans-69.2-51.8-178.2-64.764.9-141.500110.1Q120 L124 R125 S126Q120-E122 VanDerWaalsContact C-N 3.27Å; Q120-E122 PolarHBondContact O-N 2.76Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 3.33Å; E122-R125 PolarHBondContact O-N 3.29Å; E122-S126 PolarHBondContact O-N 3.06Å
123E94.9Very high95.4Very high59 Ų5967.3 Ų67.328%0.27632%0.324SS..Hα-helixtrans-63-41.2175.1-170.7-176.7172.300110.9R114 I119 Q120 R125 S126 M127 K170R114-E123 IonicContact NH1-OE1 3.9Å; R114-E123 PolarHBondContact NH1-OE1 3.14Å; I119-E123 HydrophobicContact CG2-CB 3.89Å; I119-E123 HydrophobicContact CG2-CG 4.04Å; Q120-E123 PolarHBondContact O-N 3.4Å; E123-R125 VanDerWaalsContact C-N 3.31Å; E123-R125 PolarHBondContact O-N 2.95Å; E123-S126 PolarHBondContact O-N 3.13Å; E123-S126 PolarHBondContact O-OG 3.18Å; E123-M127 HydrophobicContact CG-CE 3.93Å; E123-M127 HydrophobicContact CG-SD 4.37Å; E123-M127 PolarHBondContact O-N 3.41Å; E123-M127 VanDerWaalsContact O-N 3.09Å; E123-K170 IonicContact OE1-NZ 3.77Å; E123-K170 PolarHBondContact OE1-NZ 3.21Å; E123-K170 IonicContact OE2-NZ 2.76Å
124L96.4Very high95.2Very high16 Ų1675 Ų758%0.08436%0.358CS..Hα-helixtrans-58.2-43.2176.9-17770.9000111.8I109 C112 I119 Q120 E122 S126 M127 Y128 K131I109-L124 HydrophobicContact CD1-CD1 4.13Å; I109-L124 HydrophobicContact CG2-CD1 4.33Å; C112-L124 HydrophobicContact CB-CD1 3.5Å; I119-L124 HydrophobicContact CG2-CB 3.89Å; I119-L124 HydrophobicContact CG2-CD1 4.43Å; Q120-L124 VanDerWaalsContact O-CB 3.26Å; Q120-L124 WeakPolarHBondContact O-CB 3.42Å; Q120-L124 PolarHBondContact O-N 3.08Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 3.33Å; L124-S126 VanDerWaalsContact C-N 3.29Å; L124-S126 PolarHBondContact O-N 2.74Å; L124-M127 PolarHBondContact O-N 3.21Å; L124-Y128 HydrophobicContact CD1-CD2 3.7Å; L124-Y128 HydrophobicContact CD1-CE2 4.28Å; L124-Y128 CarbonylContact O-C 3.58Å; L124-Y128 WeakPolarHBondContact O-CA 3.17Å; L124-Y128 PolarHBondContact O-N 3.39Å; L124-K131 HydrophobicContact CD2-CD 4.14Å; L124-K131 HydrophobicContact CD2-CG 4.21Å
125R95.4Very high95Very high135 Ų13580.2 Ų80.251%0.50938%0.378SS..Hα-helixtrans-66.8-30.5177.2-79.3171.6171.2169.3-3.6112.5R121 E122 E123 Y128 P129R121-R125 WeakPolarHBondContact O-CB 3.33Å; R121-R125 VanDerWaalsContact O-CG 3.3Å; R121-R125 WeakPolarHBondContact O-CG 3.06Å; R121-R125 PolarHBondContact O-N 2.64Å; E122-R125 PolarHBondContact O-N 3.29Å; E123-R125 VanDerWaalsContact C-N 3.31Å; E123-R125 PolarHBondContact O-N 2.95Å; R125-Y128 CarbonylContact O-C 3.55Å; R125-P129 VanDerWaalsContact O-CA 3.24Å; R125-P129 WeakPolarHBondContact O-CA 3.18Å
126S95Very high95Very high87 Ų8783.5 Ų83.561%0.60840%0.395SS*.Hα-helixtrans-69.6-40.3175.472.40000112.3E122 E123 L124E122-S126 PolarHBondContact O-N 3.06Å; E123-S126 PolarHBondContact O-N 3.13Å; E123-S126 PolarHBondContact O-OG 3.18Å; L124-S126 VanDerWaalsContact C-N 3.29Å; L124-S126 PolarHBondContact O-N 2.74Å
127M95.7Very high94.8Very high16 Ų1687.1 Ų87.18%0.07941%0.412CS..Hα-helixtrans-81.3-34.5179.7-62.2-177.4-60.500112.6Y97 R114 I119 E123 L124Y97-M127 HydrophobicContact CD1-CG 4.33Å; Y97-M127 HydrophobicContact CD1-SD 4.34Å; Y97-M127 HydrophobicContact CD2-CB 4.23Å; Y97-M127 HydrophobicContact CE1-CB 4.45Å; Y97-M127 HydrophobicContact CE1-CG 4.32Å; Y97-M127 HydrophobicContact CE2-CB 4.06Å; Y97-M127 WeakPolarHBondContact CE2-O 3.36Å; Y97-M127 HydrophobicContact CG-CB 4.49Å; Y97-M127 HydrophobicContact CG-SD 4.39Å; R114-M127 PolarHBondContact NH2-SD 3.03Å; I119-M127 HydrophobicContact CB-CE 4.28Å; I119-M127 HydrophobicContact CD1-CE 4.4Å; I119-M127 HydrophobicContact CG1-CE 4.05Å; I119-M127 HydrophobicContact CG2-CE 3.36Å; E123-M127 HydrophobicContact CG-CE 3.93Å; E123-M127 HydrophobicContact CG-SD 4.37Å; E123-M127 PolarHBondContact O-N 3.41Å; E123-M127 VanDerWaalsContact O-N 3.09Å; L124-M127 PolarHBondContact O-N 3.21Å
128Y96.9Very high94.7Very high7 Ų792.3 Ų92.33%0.02743%0.432CS..  trans-134.482.2-176.9-52.8-81.9000110D94 Y97 T99 L101 I109 L124 R125 N130 K131 V133D94-Y128 WeakPolarHBondContact OD2-CE1 3.24Å; D94-Y128 PolarHBondContact OD2-OH 2.9Å; Y97-Y128 AromaticContact CD2-CE1 3.98Å; Y97-Y128 HydrophobicContact CD2-CE1 3.98Å; Y97-Y128 HydrophobicContact CD2-CE2 4.31Å; Y97-Y128 AromaticContact CD2-CZ 3.7Å; Y97-Y128 HydrophobicContact CE2-CE1 4.28Å; T99-Y128 PolarHBondContact OG1-OH 2.98Å; L101-Y128 HydrophobicContact CD1-CE1 4.13Å; L101-Y128 HydrophobicContact CD2-CE2 4.07Å; I109-Y128 HydrophobicContact CD1-CD1 3.87Å; I109-Y128 HydrophobicContact CD1-CD2 3.7Å; I109-Y128 HydrophobicContact CD1-CE1 4.4Å; I109-Y128 HydrophobicContact CD1-CE2 4.25Å; I109-Y128 HydrophobicContact CD1-CG 3.47Å; I109-Y128 VanDerWaalsContact CD1-CG 3.47Å; L124-Y128 HydrophobicContact CD1-CD2 3.7Å; L124-Y128 HydrophobicContact CD1-CE2 4.28Å; L124-Y128 CarbonylContact O-C 3.58Å; L124-Y128 WeakPolarHBondContact O-CA 3.17Å; L124-Y128 PolarHBondContact O-N 3.39Å; R125-Y128 CarbonylContact O-C 3.55Å; Y128-N130 VanDerWaalsContact C-N 3.26Å; Y128-N130 PolarHBondContact O-N 3.08Å; Y128-N130 VanDerWaalsContact O-N 3.12Å; Y128-K131 PolarHBondContact O-N 2.73Å; Y128-V133 HydrophobicContact CD1-CG2 3.57Å; Y128-V133 HydrophobicContact CE1-CG2 3.74Å
129P93.3Very high94.8Very high98 Ų9890 Ų9064%0.63642%0.42SS*.THydrogen-bonded Turntrans-52-40-172.7-31.136.7000114.7R125R125-P129 VanDerWaalsContact O-CA 3.24Å; R125-P129 WeakPolarHBondContact O-CA 3.18Å
130N94Very high94.8Very high135 Ų13588.9 Ų88.972%0.72241%0.414SS*.THydrogen-bonded Turntrans-96.14.6-179.5-64.1-32000113.6Y128 F132Y128-N130 VanDerWaalsContact C-N 3.26Å; Y128-N130 PolarHBondContact O-N 3.08Å; Y128-N130 VanDerWaalsContact O-N 3.12Å; N130-F132 HydrophobicContact CB-CB 4.14Å; N130-F132 PolarHBondContact O-N 3.15Å
131K94.6Very high95Very high61 Ų6184.6 Ų84.627%0.26539%0.394SS..SBendtrans4731.7-168.4-59.1-175.9178.7-173.30113.1N108 I109 L124 Y128N108-K131 CarbonylContact C-O 3.58Å; N108-K131 VanDerWaalsContact CA-O 3.32Å; N108-K131 WeakPolarHBondContact CA-O 3.36Å; I109-K131 PolarHBondContact N-O 2.69Å; L124-K131 HydrophobicContact CD2-CD 4.14Å; L124-K131 HydrophobicContact CD2-CG 4.21Å; Y128-K131 PolarHBondContact O-N 2.73Å
132F94.9Very high95.2Very high100 Ų10078.8 Ų78.844%0.43937%0.374SS..BIsolated β-bridgetrans-131.7140-175.5170.1-84.5000107.6F106 G107 N130 K134F106-F132 WeakPolarHBondContact O-CE2 3.15Å; G107-F132 VanDerWaalsContact O-CA 3.27Å; G107-F132 WeakPolarHBondContact O-CA 3.28Å; G107-F132 WeakPolarHBondContact O-CD2 3.28Å; N130-F132 HydrophobicContact CB-CB 4.14Å; N130-F132 PolarHBondContact O-N 3.15Å; F132-K134 HydrophobicContact CE1-CB 4.11Å
133V94.7Very high95.3Very high9 Ų972.9 Ų72.96%0.05535%0.347CS..  trans-131.2119178.1-175.70000108.2W92 L101 M103 G107 I109 Y128 I140W92-V133 HydrophobicContact CE3-CG1 4.28Å; W92-V133 HydrophobicContact CZ3-CB 4.25Å; W92-V133 HydrophobicContact CZ3-CG1 4.08Å; L101-V133 HydrophobicContact CD1-CG2 3.98Å; M103-V133 HydrophobicContact CE-CB 3.95Å; M103-V133 HydrophobicContact CE-CG2 4.24Å; G107-V133 PolarHBondContact O-N 2.94Å; I109-V133 HydrophobicContact CD1-CG2 3.98Å; I109-V133 HydrophobicContact CG1-CG2 4.19Å; Y128-V133 HydrophobicContact CD1-CG2 3.57Å; Y128-V133 HydrophobicContact CE1-CG2 3.74Å; V133-I140 HydrophobicContact CG1-CD1 4.01Å; V133-I140 HydrophobicContact CG1-CG1 4.21Å
134K93.6Very high95.2Very high163 Ų16371 Ų7171%0.70934%0.339SS*.  trans-72134.4167.2-172.9177.3177.7-177.80107.8F132 D136F132-K134 HydrophobicContact CE1-CB 4.11Å; K134-D136 PolarHBondContact O-N 2.86Å
135Y94.1Very high95Very high113 Ų11371.8 Ų71.844%0.44334%0.344SS..  trans-63127173.9179.5-113.7000110.1W92 E137 I140 I142W92-Y135 HydrophobicContact CH2-CD2 4.23Å; W92-Y135 HydrophobicContact CH2-CG 4.36Å; W92-Y135 HydrophobicContact CZ2-CD2 4.39Å; W92-Y135 HydrophobicContact CZ3-CD2 4.42Å; Y135-E137 HydrophobicContact CE1-CB 4.35Å; Y135-I140 HydrophobicContact CD2-CB 4.12Å; Y135-I140 HydrophobicContact CD2-CG2 4.05Å; Y135-I140 HydrophobicContact CE2-CB 4.22Å; Y135-I140 HydrophobicContact CE2-CG2 4.18Å; Y135-I142 HydrophobicContact CD2-CD1 3.81Å; Y135-I142 HydrophobicContact CD2-CG1 4.12Å; Y135-I142 HydrophobicContact CE2-CD1 3.51Å; Y135-I142 HydrophobicContact CE2-CG1 3.61Å
136D95.4Very high95Very high74 Ų7465.7 Ų65.740%0.39632%0.321SS..  trans-138.7113.2172.6171.78.3000107.2K134 K138 R139 I140K134-D136 PolarHBondContact O-N 2.86Å; D136-K138 PolarHBondContact O-N 3.4Å; D136-K138 VanDerWaalsContact O-N 3.15Å; D136-K138 WeakPolarHBondContact OD1-CB 3.49Å; D136-K138 PolarHBondContact OD1-N 2.64Å; D136-R139 HydrophobicContact CB-CB 4.43Å; D136-R139 PolarHBondContact O-N 2.56Å; D136-I140 WeakPolarHBondContact O-CB 3.33Å; D136-I140 PolarHBondContact O-N 3.18Å
137E93.3Very high95Very high134 Ų13463.8 Ų63.863%0.62630%0.302SS*.THydrogen-bonded Turntrans-59.6-23.1-176.962.8-178.5-170.400113.8Y135 R139Y135-E137 HydrophobicContact CE1-CB 4.35Å; E137-R139 VanDerWaalsContact C-N 3.34Å
138K95.1Very high95Very high169 Ų16963.3 Ų63.374%0.73530%0.3SS*.THydrogen-bonded Turntrans-75.4-27.1177.9-65.3177.8-179172.60112D136D136-K138 PolarHBondContact O-N 3.4Å; D136-K138 VanDerWaalsContact O-N 3.15Å; D136-K138 WeakPolarHBondContact OD1-CB 3.49Å; D136-K138 PolarHBondContact OD1-N 2.64Å
139R96.9Very high95Very high74 Ų7463.9 Ų63.928%0.27930%0.304SS..THydrogen-bonded Turntrans-107-40.3-175.6177.8179.3169.8178.4-3.7113D94 R95 L96 Y97 D136 E137D94-R139 VanDerWaalsContact OD1-CG 3.26Å; D94-R139 WeakPolarHBondContact OD1-CG 3.47Å; D94-R139 IonicContact OD1-CZ 3.52Å; D94-R139 IonicContact OD1-NE 3.14Å; D94-R139 PolarHBondContact OD1-NE 2.89Å; D94-R139 IonicContact OD1-NH2 2.72Å; D94-R139 IonicContact OD2-CZ 2.67Å; D94-R139 VanDerWaalsContact OD2-CZ 3.28Å; D94-R139 IonicContact OD2-NE 3.24Å; D94-R139 PolarHBondContact OD2-NE 2.88Å; D94-R139 VanDerWaalsContact OD2-NE 3.08Å; D94-R139 IonicContact OD2-NH2 3.36Å; D94-R139 PolarHBondContact OD2-NH2 2.83Å; R95-R139 VanDerWaalsContact CB-O 3.3Å; R95-R139 WeakPolarHBondContact CB-O 3.45Å; R95-R139 VanDerWaalsContact CG-O 3.26Å; R95-R139 WeakPolarHBondContact CG-O 3.43Å; R95-R139 PolarHBondContact N-O 3.34Å; L96-R139 HydrophobicContact CB-CG 4.22Å; Y97-R139 VanDerWaalsContact CE2-NH2 3.28Å; D136-R139 HydrophobicContact CB-CB 4.43Å; D136-R139 PolarHBondContact O-N 2.56Å; E137-R139 VanDerWaalsContact C-N 3.34Å
140I98Very high95.2Very high0 Ų059.3 Ų59.30%027%0.274CS..EExtended strand (participates in β ladder)trans-108.3120.9-169.3-57.5-58.5000109.9W92 F93 D94 V133 Y135 D136 I142W92-I140 HydrophobicContact CB-CG2 3.82Å; W92-I140 HydrophobicContact CD2-CG2 3.7Å; W92-I140 HydrophobicContact CE3-CB 4.49Å; W92-I140 HydrophobicContact CE3-CG1 4.33Å; W92-I140 HydrophobicContact CE3-CG2 3.54Å; W92-I140 HydrophobicContact CG-CG2 3.87Å; W92-I140 HydrophobicContact CZ3-CG2 4.33Å; F93-I140 WeakPolarHBondContact O-CA 3.46Å; D94-I140 HydrophobicContact CB-CD1 3.8Å; V133-I140 HydrophobicContact CG1-CD1 4.01Å; V133-I140 HydrophobicContact CG1-CG1 4.21Å; Y135-I140 HydrophobicContact CD2-CB 4.12Å; Y135-I140 HydrophobicContact CD2-CG2 4.05Å; Y135-I140 HydrophobicContact CE2-CB 4.22Å; Y135-I140 HydrophobicContact CE2-CG2 4.18Å; D136-I140 WeakPolarHBondContact O-CB 3.33Å; D136-I140 PolarHBondContact O-N 3.18Å; I140-I142 HydrophobicContact CG2-CG1 4.41Å
141E97Very high95.4Very high52 Ų5253.1 Ų53.124%0.24324%0.241CC..EExtended strand (participates in β ladder)trans-93.9132.9165.2-173.960.1-143.800109.8W92 F93 R95 M143 Y188W92-E141 CarbonylContact C-O 3.57Å; W92-E141 WeakPolarHBondContact CA-O 3.4Å; F93-E141 HydrophobicContact CB-CB 4.31Å; F93-E141 PolarHBondContact N-O 3.41Å; F93-E141 PolarHBondContact O-N 2.79Å; R95-E141 IonicContact CZ-OE2 2.64Å; R95-E141 IonicContact NH2-OE2 2.72Å; R95-E141 PolarHBondContact NH2-OE2 3.2Å; E141-M143 HydrophobicContact CG-CE 4.12Å; E141-M143 HydrophobicContact CG-SD 4.06Å; E141-Y188 HydrophobicContact CB-CE2 3.98Å; E141-Y188 VanDerWaalsContact CD-OH 3.27Å; E141-Y188 HydrophobicContact CG-CE2 3.94Å; E141-Y188 VanDerWaalsContact CG-OH 3.27Å; E141-Y188 WeakPolarHBondContact CG-OH 3.33Å; E141-Y188 PolarHBondContact OE2-OH 2.91Å; E141-Y188 VanDerWaalsContact OE2-OH 3.08Å
142I95.9Very high95.6Very high27 Ų2750.2 Ų50.214%0.13823%0.228CC..EExtended strand (participates in β ladder)trans-102.3112.9175.1-45.1177.5000110.1W92 Y135 I140 N144 F436W92-I142 HydrophobicContact CG-CG1 4.47Å; W92-I142 HydrophobicContact CZ2-CD1 4.42Å; Y135-I142 HydrophobicContact CD2-CD1 3.81Å; Y135-I142 HydrophobicContact CD2-CG1 4.12Å; Y135-I142 HydrophobicContact CE2-CD1 3.51Å; Y135-I142 HydrophobicContact CE2-CG1 3.61Å; I140-I142 HydrophobicContact CG2-CG1 4.41Å; I142-N144 VanDerWaalsContact C-N 3.25Å; I142-N144 HydrophobicContact CG2-CB 4.33Å; I142-N144 WeakPolarHBondContact CG2-ND2 3.48Å; I142-N144 WeakPolarHBondContact CG2-OD1 3.41Å; I142-N144 PolarHBondContact O-N 3.48Å; I142-F436 HydrophobicContact CD1-CE1 3.99Å; I142-F436 HydrophobicContact CD1-CZ 4.15Å; I142-F436 HydrophobicContact CG2-CE1 4.21Å
143M96Very high95.8Very high2 Ų246.5 Ų46.51%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-77.669.9-179.6-56.5-59.9-169.100111R89 G90 L91 F93 E141 S148 E151 T152 L155 Y188R89-M143 CarbonylContact C-O 3.54Å; R89-M143 WeakPolarHBondContact CA-O 3.39Å; G90-M143 PolarHBondContact N-O 3.44Å; L91-M143 WeakPolarHBondContact O-CB 3.16Å; L91-M143 PolarHBondContact O-N 3.06Å; F93-M143 HydrophobicContact CB-CE 3.74Å; F93-M143 HydrophobicContact CG-CE 4.21Å; E141-M143 HydrophobicContact CG-CE 4.12Å; E141-M143 HydrophobicContact CG-SD 4.06Å; M143-S148 VanDerWaalsContact C-OG 3.27Å; M143-E151 HydrophobicContact CE-CG 4.34Å; M143-T152 WeakPolarHBondContact CB-OG1 3.46Å; M143-T152 VanDerWaalsContact CG-OG1 3.29Å; M143-T152 WeakPolarHBondContact CG-OG1 3.45Å; M143-L155 HydrophobicContact CE-CD1 3.47Å; M143-L155 VanDerWaalsContact CE-CD1 3.47Å; M143-Y188 HydrophobicContact CE-CE2 4.22Å
144N92.2Very high96Very high20 Ų2046.1 Ų46.111%0.10721%0.209CC..  trans-98.7-5.7-168.2-89.5-27.4000115.4R89 G90 I142R89-N144 WeakPolarHBondContact CD-O 3.39Å; G90-N144 VanDerWaalsContact CA-OD1 3.29Å; G90-N144 WeakPolarHBondContact CA-OD1 3.4Å; I142-N144 VanDerWaalsContact C-N 3.25Å; I142-N144 HydrophobicContact CG2-CB 4.33Å; I142-N144 WeakPolarHBondContact CG2-ND2 3.48Å; I142-N144 WeakPolarHBondContact CG2-OD1 3.41Å; I142-N144 PolarHBondContact O-N 3.48Å
145T93.2Very high96.2Very high31 Ų3138.3 Ų38.319%0.1918%0.175CC..SBendtrans-110.8154-174.6660000110.7R89 F147 S148R89-T145 VanDerWaalsContact CD-C 3.49Å; T145-F147 PolarHBondContact O-N 3.22Å; T145-S148 PolarHBondContact N-OG 3.17Å; T145-S148 WeakPolarHBondContact O-CB 3.18Å; T145-S148 PolarHBondContact O-N 3.37Å; T145-S148 PolarHBondContact O-OG 2.82Å; T145-S148 PolarHBondContact OG1-N 3.01Å
146L95.4Very high96.4Very high7 Ų733.1 Ų33.14%0.03716%0.155CC..THydrogen-bonded Turntrans-64-33.1175.8-71.2164000110.9Y46 R89 S148 L149 P360 E361Y46-L146 HydrophobicContact CD1-CB 4.04Å; Y46-L146 HydrophobicContact CD1-CD1 3.34Å; Y46-L146 HydrophobicContact CD1-CG 4.27Å; Y46-L146 HydrophobicContact CD2-CB 3.81Å; Y46-L146 HydrophobicContact CD2-CD1 4.11Å; Y46-L146 HydrophobicContact CE1-CB 3.76Å; Y46-L146 HydrophobicContact CE1-CD1 3.82Å; Y46-L146 HydrophobicContact CE1-CG 4.32Å; Y46-L146 HydrophobicContact CE2-CB 3.54Å; Y46-L146 HydrophobicContact CG-CB 4.04Å; Y46-L146 HydrophobicContact CG-CD1 3.47Å; Y46-L146 VanDerWaalsContact CG-CD1 3.47Å; Y46-L146 HydrophobicContact CG-CG 4.37Å; Y46-L146 VanDerWaalsContact CZ-CB 3.49Å; R89-L146 HydrophobicContact CG-CD2 4.43Å; L146-S148 PolarHBondContact O-N 2.98Å; L146-L149 HydrophobicContact CD2-CD1 3.92Å; L146-L149 WeakPolarHBondContact O-CB 3.46Å; L146-L149 VanDerWaalsContact O-CG 3.28Å; L146-L149 WeakPolarHBondContact O-CG 3.31Å; L146-L149 PolarHBondContact O-N 2.85Å; L146-P360 HydrophobicContact CD1-CG 4.01Å; L146-E361 WeakPolarHBondContact CD2-OE1 3.2Å
147F94.8Very high96.6Very high48 Ų4829.8 Ų29.821%0.21114%0.138CC..THydrogen-bonded Turntrans-59.7-23.3170.3-67-70.2000114.7D45 Y46 Y56 T145 P150 H199D45-F147 HydrophobicContact CB-CE2 4.23Å; D45-F147 HydrophobicContact CB-CZ 4.02Å; Y46-F147 HydrophobicContact CD2-CD2 4.06Å; Y46-F147 HydrophobicContact CD2-CE1 4.39Å; Y46-F147 AromaticContact CD2-CE2 3.56Å; Y46-F147 HydrophobicContact CD2-CE2 3.56Å; Y46-F147 AromaticContact CD2-CZ 3.75Å; Y46-F147 HydrophobicContact CD2-CZ 3.75Å; Y46-F147 AromaticContact CE2-CD1 3.92Å; Y46-F147 HydrophobicContact CE2-CD1 3.92Å; Y46-F147 AromaticContact CE2-CD2 3.83Å; Y46-F147 HydrophobicContact CE2-CD2 3.83Å; Y46-F147 AromaticContact CE2-CE1 3.69Å; Y46-F147 HydrophobicContact CE2-CE1 3.69Å; Y46-F147 AromaticContact CE2-CE2 3.59Å; Y46-F147 HydrophobicContact CE2-CE2 3.59Å; Y46-F147 AromaticContact CE2-CG 3.99Å; Y46-F147 HydrophobicContact CE2-CG 3.99Å; Y46-F147 AromaticContact CE2-CZ 3.52Å; Y46-F147 HydrophobicContact CE2-CZ 3.52Å; Y56-F147 AromaticContact CE1-CE1 3.98Å; Y56-F147 HydrophobicContact CE1-CE1 3.98Å; T145-F147 PolarHBondContact O-N 3.22Å; F147-P150 WeakPolarHBondContact O-CD 3.45Å; F147-P150 WeakPolarHBondContact O-CG 3.31Å; F147-H199 AromaticContact CD1-NE2 3.69Å; F147-H199 AromaticContact CG-NE2 3.94Å
148S95.7Very high96.8Very high6 Ų623.4 Ų23.44%0.04211%0.108CC..Hα-helixtrans-84.5-7.7178.970.80000114.1M143 T145 L146 E151 T152M143-S148 VanDerWaalsContact C-OG 3.27Å; T145-S148 PolarHBondContact N-OG 3.17Å; T145-S148 WeakPolarHBondContact O-CB 3.18Å; T145-S148 PolarHBondContact O-N 3.37Å; T145-S148 PolarHBondContact O-OG 2.82Å; T145-S148 PolarHBondContact OG1-N 3.01Å; L146-S148 PolarHBondContact O-N 2.98Å; S148-E151 PolarHBondContact O-N 3.43Å; S148-T152 WeakPolarHBondContact O-CB 3.16Å; S148-T152 PolarHBondContact O-N 3.38Å; S148-T152 PolarHBondContact O-OG1 3.02Å
149L97.3Very high96.9Very high18 Ų1815.5 Ų15.59%0.0947%0.074CC..Hα-helixtrans-59.4-51.8177.5-62.7177000113E57 P87 R89 L146 E151 T152 Y153E57-L149 HydrophobicContact CG-CD1 4.4Å; P87-L149 HydrophobicContact CB-CB 4.2Å; P87-L149 HydrophobicContact CB-CD2 3.98Å; P87-L149 WeakPolarHBondContact CB-O 3.49Å; P87-L149 HydrophobicContact CG-CB 4.27Å; P87-L149 HydrophobicContact CG-CD2 4.48Å; R89-L149 HydrophobicContact CG-CD2 4.02Å; L146-L149 HydrophobicContact CD2-CD1 3.92Å; L146-L149 WeakPolarHBondContact O-CB 3.46Å; L146-L149 VanDerWaalsContact O-CG 3.28Å; L146-L149 WeakPolarHBondContact O-CG 3.31Å; L146-L149 PolarHBondContact O-N 2.85Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 2.81Å; L149-T152 PolarHBondContact O-N 3.23Å; L149-Y153 PolarHBondContact O-N 2.93Å; L149-Y153 VanDerWaalsContact O-N 3.07Å
150P98.1Very high97Very high3 Ų314.6 Ų14.62%0.0197%0.072CC..Hα-helixtrans-63.7-36.2176.324.6-35.7000112.8A60 F61 I64 F147 Y153 I154A60-P150 HydrophobicContact CB-CB 4.11Å; A60-P150 HydrophobicContact CB-CG 3.79Å; F61-P150 HydrophobicContact CB-CB 4.02Å; I64-P150 HydrophobicContact CD1-CB 4.24Å; F147-P150 WeakPolarHBondContact O-CD 3.45Å; F147-P150 WeakPolarHBondContact O-CG 3.31Å; P150-Y153 PolarHBondContact O-N 2.83Å; P150-I154 WeakPolarHBondContact O-CB 3.44Å; P150-I154 WeakPolarHBondContact O-CG2 3.31Å; P150-I154 PolarHBondContact O-N 2.98Å
151E98.2Very high97Very high5 Ų515.3 Ų15.32%0.0238%0.076CC..Hα-helixtrans-61.6-46.8174.6179.4173.1-169.800111.6M143 S148 L149 Y153 I154 L155 V191 R192M143-E151 HydrophobicContact CE-CG 4.34Å; S148-E151 PolarHBondContact O-N 3.43Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 2.81Å; E151-Y153 VanDerWaalsContact C-N 3.31Å; E151-Y153 PolarHBondContact O-N 3.48Å; E151-I154 WeakPolarHBondContact O-CG2 3.24Å; E151-I154 PolarHBondContact O-N 3.31Å; E151-L155 HydrophobicContact CG-CD1 4.04Å; E151-L155 WeakPolarHBondContact O-CB 3.32Å; E151-L155 WeakPolarHBondContact O-CD1 3.47Å; E151-L155 VanDerWaalsContact O-CG 3.28Å; E151-L155 WeakPolarHBondContact O-CG 3.47Å; E151-L155 PolarHBondContact O-N 2.72Å; E151-V191 HydrophobicContact CG-CG1 4.14Å; E151-R192 WeakPolarHBondContact OE1-CD 3.39Å; E151-R192 IonicContact OE1-NH1 2.69Å; E151-R192 PolarHBondContact OE1-NH1 3.07Å; E151-R192 IonicContact OE2-NH1 3.45Å; E151-R192 PolarHBondContact OE2-NH1 2.92Å
152T98.3Very high97Very high0 Ų013.1 Ų13.10%07%0.066CC..Hα-helixtrans-59.2-44.3177.6-61.20000111.2P87 L91 L100 M143 S148 L149 S156P87-T152 HydrophobicContact CB-CG2 4.3Å; L91-T152 HydrophobicContact CD1-CG2 4.02Å; L100-T152 HydrophobicContact CD1-CG2 3.82Å; L100-T152 HydrophobicContact CD2-CG2 4.02Å; M143-T152 WeakPolarHBondContact CB-OG1 3.46Å; M143-T152 VanDerWaalsContact CG-OG1 3.29Å; M143-T152 WeakPolarHBondContact CG-OG1 3.45Å; S148-T152 WeakPolarHBondContact O-CB 3.16Å; S148-T152 PolarHBondContact O-N 3.38Å; S148-T152 PolarHBondContact O-OG1 3.02Å; L149-T152 PolarHBondContact O-N 3.23Å; T152-S156 PolarHBondContact O-N 2.9Å; T152-S156 VanDerWaalsContact O-N 3.17Å; T152-S156 PolarHBondContact O-OG 3.01Å
153Y98.5Very high97Very high22 Ų2213.1 Ų13.19%0.0867%0.067CC..Hα-helixtrans-73.6-42.6-177.5-171.4-108.5000112.4F61 V81 Y82 D83 F86 F116 L149 P150 E151 S156 C157F61-Y153 AromaticContact CD2-CD1 3.88Å; F61-Y153 HydrophobicContact CD2-CD1 3.88Å; F61-Y153 AromaticContact CE2-CD1 3.39Å; F61-Y153 HydrophobicContact CE2-CD1 3.39Å; F61-Y153 AromaticContact CE2-CE1 3.93Å; F61-Y153 HydrophobicContact CE2-CE1 3.93Å; F61-Y153 HydrophobicContact CE2-CG 4.46Å; F61-Y153 AromaticContact CZ-CD1 3.95Å; F61-Y153 HydrophobicContact CZ-CD1 3.95Å; F61-Y153 HydrophobicContact CZ-CE1 4Å; V81-Y153 WeakPolarHBondContact O-CE1 3.35Å; V81-Y153 PolarHBondContact O-OH 3.17Å; Y82-Y153 AromaticContact CD2-CD1 3.58Å; Y82-Y153 HydrophobicContact CD2-CD1 3.58Å; Y82-Y153 HydrophobicContact CD2-CE1 4.22Å; Y82-Y153 HydrophobicContact CD2-CG 4.19Å; Y82-Y153 HydrophobicContact CE2-CD1 4.06Å; Y82-Y153 HydrophobicContact CE2-CG 4.21Å; D83-Y153 HydrophobicContact CB-CE1 4.44Å; D83-Y153 HydrophobicContact CB-CE2 3.87Å; D83-Y153 VanDerWaalsContact CB-OH 3.29Å; D83-Y153 WeakPolarHBondContact CB-OH 3.44Å; F86-Y153 HydrophobicContact CB-CD2 3.87Å; F86-Y153 HydrophobicContact CB-CE2 3.85Å; F86-Y153 AromaticContact CD1-CD2 3.62Å; F86-Y153 HydrophobicContact CD1-CD2 3.62Å; F86-Y153 HydrophobicContact CD1-CE2 4.21Å; F86-Y153 HydrophobicContact CE1-CD2 4.48Å; F86-Y153 AromaticContact CG-CD2 3.96Å; F86-Y153 HydrophobicContact CG-CD2 3.96Å; F86-Y153 HydrophobicContact CG-CE2 4.11Å; F116-Y153 AromaticContact CE1-CD2 4Å; F116-Y153 HydrophobicContact CE1-CD2 4Å; F116-Y153 AromaticContact CE1-CE2 3.57Å; F116-Y153 HydrophobicContact CE1-CE2 3.57Å; F116-Y153 HydrophobicContact CZ-CD2 4.25Å; F116-Y153 AromaticContact CZ-CE2 3.64Å; F116-Y153 HydrophobicContact CZ-CE2 3.64Å; F116-Y153 AromaticContact CZ-CZ 4Å; L149-Y153 PolarHBondContact O-N 2.93Å; L149-Y153 VanDerWaalsContact O-N 3.07Å; P150-Y153 PolarHBondContact O-N 2.83Å; E151-Y153 VanDerWaalsContact C-N 3.31Å; E151-Y153 PolarHBondContact O-N 3.48Å; Y153-S156 WeakPolarHBondContact O-CB 3.27Å; Y153-S156 PolarHBondContact O-N 3.49Å; Y153-S156 VanDerWaalsContact O-N 3.16Å; Y153-C157 VanDerWaalsContact CE1-SG 3.57Å; Y153-C157 PolarHBondContact O-N 2.78Å; Y153-C157 PolarHBondContact O-SG 3.43Å
154I98.5Very high96.9Very high0 Ų017 Ų170%09%0.088CC..Hα-helixtrans-66.7-38177.2-164.473.2000111.8F61 I64 K65 L68 F80 P150 E151 S156 C157 I158 V191F61-I154 HydrophobicContact CD2-CB 3.96Å; F61-I154 HydrophobicContact CD2-CD1 4.08Å; F61-I154 HydrophobicContact CE1-CD1 4.46Å; F61-I154 HydrophobicContact CE2-CB 3.67Å; F61-I154 HydrophobicContact CE2-CD1 3.33Å; F61-I154 HydrophobicContact CE2-CG1 4.07Å; F61-I154 HydrophobicContact CZ-CD1 3.57Å; I64-I154 HydrophobicContact CG2-CG1 4.28Å; I64-I154 HydrophobicContact CG2-CG2 3.94Å; K65-I154 HydrophobicContact CB-CD1 4.22Å; L68-I154 HydrophobicContact CD1-CD1 4.43Å; L68-I154 HydrophobicContact CD1-CG1 3.74Å; F80-I154 HydrophobicContact CD2-CD1 3.82Å; F80-I154 HydrophobicContact CE2-CD1 4.45Å; P150-I154 WeakPolarHBondContact O-CB 3.44Å; P150-I154 WeakPolarHBondContact O-CG2 3.31Å; P150-I154 PolarHBondContact O-N 2.98Å; E151-I154 WeakPolarHBondContact O-CG2 3.24Å; E151-I154 PolarHBondContact O-N 3.31Å; I154-S156 VanDerWaalsContact C-N 3.26Å; I154-S156 PolarHBondContact O-N 3.27Å; I154-C157 WeakPolarHBondContact O-CB 3.4Å; I154-C157 PolarHBondContact O-N 2.9Å; I154-I158 HydrophobicContact CG1-CD1 4.16Å; I154-I158 HydrophobicContact CG1-CG1 4.5Å; I154-I158 VanDerWaalsContact O-CG1 3.28Å; I154-I158 WeakPolarHBondContact O-CG1 3.43Å; I154-I158 PolarHBondContact O-N 3.43Å; I154-V191 HydrophobicContact CG2-CG1 3.67Å
155L98.3Very high97.1Very high0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-56-45.1170.9-80.4167.2000111F93 M143 E151 I158 I159 Y188 V191F93-L155 HydrophobicContact CD2-CD1 4.32Å; F93-L155 HydrophobicContact CE2-CB 4.45Å; F93-L155 HydrophobicContact CE2-CD1 4.4Å; F93-L155 HydrophobicContact CG-CD1 4.47Å; F93-L155 HydrophobicContact CZ-CD2 4.33Å; M143-L155 HydrophobicContact CE-CD1 3.47Å; M143-L155 VanDerWaalsContact CE-CD1 3.47Å; E151-L155 HydrophobicContact CG-CD1 4.04Å; E151-L155 WeakPolarHBondContact O-CB 3.32Å; E151-L155 WeakPolarHBondContact O-CD1 3.47Å; E151-L155 VanDerWaalsContact O-CG 3.28Å; E151-L155 WeakPolarHBondContact O-CG 3.47Å; E151-L155 PolarHBondContact O-N 2.72Å; L155-I158 PolarHBondContact O-N 3.07Å; L155-I159 WeakPolarHBondContact O-CB 3.49Å; L155-I159 VanDerWaalsContact O-CG1 3.32Å; L155-I159 WeakPolarHBondContact O-CG1 3.25Å; L155-I159 PolarHBondContact O-N 2.98Å; L155-Y188 HydrophobicContact CD1-CD2 3.94Å; L155-Y188 HydrophobicContact CD1-CE2 4.37Å; L155-Y188 HydrophobicContact CD2-CD2 4.28Å; L155-V191 HydrophobicContact CD2-CB 3.75Å; L155-V191 HydrophobicContact CD2-CG1 4.07Å; L155-V191 HydrophobicContact CD2-CG2 3.69Å; L155-V191 HydrophobicContact CG-CB 4.19Å; L155-V191 HydrophobicContact CG-CG1 3.93Å; L155-V191 HydrophobicContact CG-CG2 4.28Å
156S98.4Very high97.2Very high3 Ų322.4 Ų22.42%0.02112%0.122CC..Hα-helixtrans-63-44.1177.8-56.50000111.9F86 L100 G115 T152 Y153 I154 H160F86-S156 WeakPolarHBondContact CE1-OG 2.95Å; L100-S156 WeakPolarHBondContact CD1-OG 3.38Å; G115-S156 VanDerWaalsContact CA-O 3.32Å; G115-S156 WeakPolarHBondContact CA-O 3.28Å; T152-S156 PolarHBondContact O-N 2.9Å; T152-S156 VanDerWaalsContact O-N 3.17Å; T152-S156 PolarHBondContact O-OG 3.01Å; Y153-S156 WeakPolarHBondContact O-CB 3.27Å; Y153-S156 PolarHBondContact O-N 3.49Å; Y153-S156 VanDerWaalsContact O-N 3.16Å; I154-S156 VanDerWaalsContact C-N 3.26Å; I154-S156 PolarHBondContact O-N 3.27Å; S156-H160 WeakPolarHBondContact O-CB 3.44Å; S156-H160 PolarHBondContact O-N 2.99Å
157C98.5Very high97.1Very high5 Ų526.7 Ų26.73%0.03415%0.145CC..Hα-helixtrans-59.1-48.8177-65.50000111.8F80 F116 Y153 I154 H160 M161F80-C157 HydrophobicContact CD1-CB 4.17Å; F80-C157 HydrophobicContact CD2-CB 3.53Å; F80-C157 HydrophobicContact CE1-CB 4.17Å; F80-C157 HydrophobicContact CE2-CB 3.52Å; F80-C157 HydrophobicContact CG-CB 3.87Å; F80-C157 HydrophobicContact CZ-CB 3.86Å; F116-C157 HydrophobicContact CZ-CB 4.49Å; Y153-C157 VanDerWaalsContact CE1-SG 3.57Å; Y153-C157 PolarHBondContact O-N 2.78Å; Y153-C157 PolarHBondContact O-SG 3.43Å; I154-C157 WeakPolarHBondContact O-CB 3.4Å; I154-C157 PolarHBondContact O-N 2.9Å; C157-H160 PolarHBondContact O-N 2.99Å; C157-M161 WeakPolarHBondContact O-CB 3.42Å; C157-M161 PolarHBondContact O-N 3.26Å
158I98.3Very high97.2Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-63.6-50.1-178.2-68.5167.1000111L68 Y73 F80 I154 L155 H160 M161 F162 I187 V191L68-I158 HydrophobicContact CD1-CD1 3.57Å; Y73-I158 HydrophobicContact CD1-CD1 4.44Å; Y73-I158 HydrophobicContact CD1-CG2 4.25Å; Y73-I158 HydrophobicContact CE1-CD1 4.04Å; Y73-I158 HydrophobicContact CE1-CG1 4.37Å; Y73-I158 HydrophobicContact CE1-CG2 3.62Å; F80-I158 HydrophobicContact CE2-CG1 4.19Å; I154-I158 HydrophobicContact CG1-CD1 4.16Å; I154-I158 HydrophobicContact CG1-CG1 4.5Å; I154-I158 VanDerWaalsContact O-CG1 3.28Å; I154-I158 WeakPolarHBondContact O-CG1 3.43Å; I154-I158 PolarHBondContact O-N 3.43Å; L155-I158 PolarHBondContact O-N 3.07Å; I158-H160 VanDerWaalsContact C-N 3.31Å; I158-H160 PolarHBondContact O-N 3.08Å; I158-M161 PolarHBondContact O-N 2.94Å; I158-F162 HydrophobicContact CG2-CD2 3.74Å; I158-F162 HydrophobicContact CG2-CE2 3.54Å; I158-F162 VanDerWaalsContact O-CD2 3.3Å; I158-F162 WeakPolarHBondContact O-CD2 3.46Å; I158-F162 PolarHBondContact O-N 2.9Å; I158-I187 HydrophobicContact CG2-CG2 3.71Å; I158-V191 HydrophobicContact CD1-CG2 3.4Å; I158-V191 VanDerWaalsContact CD1-CG2 3.4Å
159I98.1Very high97.2Very high3 Ų330.1 Ų30.12%0.01517%0.167CC..Hα-helixtrans-63.7-42-179.8-68.4171.5000109.8F93 R114 L155 M161 F162 V163 Y184 I187F93-I159 HydrophobicContact CE2-CD1 3.62Å; F93-I159 HydrophobicContact CZ-CD1 3.78Å; R114-I159 HydrophobicContact CG-CG2 3.68Å; L155-I159 WeakPolarHBondContact O-CB 3.49Å; L155-I159 VanDerWaalsContact O-CG1 3.32Å; L155-I159 WeakPolarHBondContact O-CG1 3.25Å; L155-I159 PolarHBondContact O-N 2.98Å; I159-M161 PolarHBondContact O-N 2.99Å; I159-F162 PolarHBondContact O-N 2.88Å; I159-V163 HydrophobicContact CG2-CG2 4.05Å; I159-V163 VanDerWaalsContact O-CB 3.27Å; I159-V163 WeakPolarHBondContact O-CB 3.16Å; I159-V163 WeakPolarHBondContact O-CG2 3.48Å; I159-V163 PolarHBondContact O-N 2.68Å; I159-Y184 HydrophobicContact CD1-CD1 4.4Å; I159-Y184 HydrophobicContact CG1-CD1 4.34Å; I159-Y184 HydrophobicContact CG2-CE1 4.09Å; I159-I187 HydrophobicContact CG1-CG2 4.34Å
160H97.9Very high97.1Very high54 Ų5433.6 Ų33.625%0.2518%0.181CC..Hα-helixtrans-62.3-42.6176.6-170.383.2000111.7F116 N117 S156 C157 I158 N164F116-H160 HydrophobicContact CD2-CB 3.7Å; F116-H160 AromaticContact CD2-CD2 3.71Å; F116-H160 AromaticContact CD2-CG 3.44Å; F116-H160 VanDerWaalsContact CD2-CG 3.44Å; F116-H160 AromaticContact CD2-ND1 3.72Å; F116-H160 HydrophobicContact CE2-CB 4.08Å; F116-H160 HydrophobicContact CG-CB 4.45Å; F116-H160 PolarHBondContact N-ND1 2.67Å; N117-H160 PolarHBondContact OD1-CE1 2.98Å; N117-H160 VanDerWaalsContact OD1-CE1 3.29Å; S156-H160 WeakPolarHBondContact O-CB 3.44Å; S156-H160 PolarHBondContact O-N 2.99Å; C157-H160 PolarHBondContact O-N 2.99Å; I158-H160 VanDerWaalsContact C-N 3.31Å; I158-H160 PolarHBondContact O-N 3.08Å; H160-N164 PolarHBondContact CE1-ND2 2.96Å; H160-N164 VanDerWaalsContact CE1-ND2 3.25Å; H160-N164 PolarHBondContact ND1-ND2 3.38Å; H160-N164 VanDerWaalsContact ND1-ND2 3.18Å; H160-N164 WeakPolarHBondContact O-CB 3.1Å; H160-N164 PolarHBondContact O-N 3.43Å; H160-N164 PolarHBondContact O-ND2 3.11Å
161M97.3Very high97Very high16 Ų1635.9 Ų35.98%0.07920%0.195CC..Hα-helixtrans-58.3-53.3176.3177.4179.966.500110.9P74 K76 F80 C157 I158 I159 D165P74-M161 HydrophobicContact CG-CE 4.1Å; K76-M161 HydrophobicContact CB-SD 4.4Å; F80-M161 HydrophobicContact CE1-CB 4.32Å; F80-M161 HydrophobicContact CE1-SD 4.27Å; F80-M161 HydrophobicContact CZ-CB 3.93Å; F80-M161 HydrophobicContact CZ-CE 4.21Å; F80-M161 HydrophobicContact CZ-CG 4.42Å; F80-M161 HydrophobicContact CZ-SD 3.78Å; C157-M161 WeakPolarHBondContact O-CB 3.42Å; C157-M161 PolarHBondContact O-N 3.26Å; I158-M161 PolarHBondContact O-N 2.94Å; I159-M161 PolarHBondContact O-N 2.99Å; M161-D165 VanDerWaalsContact O-CB 3.23Å; M161-D165 WeakPolarHBondContact O-CB 3.19Å; M161-D165 PolarHBondContact O-N 3.5Å; M161-D165 VanDerWaalsContact O-N 3.11Å
162F97.3Very high96.8Very high5 Ų541.7 Ų41.72%0.02222%0.222CC..Hα-helixtrans-70.4-36-176.4-69.5-53.2000114Y73 P74 I158 I159 N164 Y168 V175 M182 I187Y73-F162 HydrophobicContact CD1-CE2 4.23Å; Y73-F162 HydrophobicContact CD1-CZ 4.22Å; Y73-F162 AromaticContact CE1-CE2 3.95Å; Y73-F162 HydrophobicContact CE1-CE2 3.95Å; Y73-F162 HydrophobicContact CE1-CZ 4.32Å; P74-F162 HydrophobicContact CG-CE1 3.96Å; P74-F162 HydrophobicContact CG-CZ 4.17Å; I158-F162 HydrophobicContact CG2-CD2 3.74Å; I158-F162 HydrophobicContact CG2-CE2 3.54Å; I158-F162 VanDerWaalsContact O-CD2 3.3Å; I158-F162 WeakPolarHBondContact O-CD2 3.46Å; I158-F162 PolarHBondContact O-N 2.9Å; I159-F162 PolarHBondContact O-N 2.88Å; F162-N164 VanDerWaalsContact C-N 3.31Å; F162-N164 PolarHBondContact O-N 3.47Å; F162-Y168 HydrophobicContact CD1-CD1 4.21Å; F162-Y168 HydrophobicContact CD1-CD2 4.14Å; F162-Y168 AromaticContact CD1-CE1 3.86Å; F162-Y168 HydrophobicContact CD1-CE1 3.86Å; F162-Y168 AromaticContact CD1-CE2 3.75Å; F162-Y168 HydrophobicContact CD1-CE2 3.75Å; F162-Y168 HydrophobicContact CD1-CG 4.35Å; F162-Y168 AromaticContact CD1-CZ 3.6Å; F162-Y168 HydrophobicContact CE1-CE1 4.09Å; F162-Y168 HydrophobicContact CE1-CE2 4.09Å; F162-Y168 AromaticContact CE1-CZ 3.64Å; F162-Y168 WeakPolarHBondContact O-CB 3.47Å; F162-V175 HydrophobicContact CB-CG1 4.13Å; F162-V175 HydrophobicContact CB-CG2 4.04Å; F162-V175 HydrophobicContact CG-CG2 4.35Å; F162-M182 HydrophobicContact CD1-CE 4.04Å; F162-M182 HydrophobicContact CD2-CE 4.26Å; F162-M182 HydrophobicContact CE1-CE 3.75Å; F162-M182 HydrophobicContact CE2-CE 3.95Å; F162-M182 HydrophobicContact CG-CE 4.3Å; F162-M182 HydrophobicContact CZ-CE 3.7Å; F162-M182 HydrophobicContact CZ-SD 4.4Å; F162-I187 HydrophobicContact CD2-CD1 4.16Å; F162-I187 HydrophobicContact CE2-CD1 4.49Å
163V96.1Very high96.7Very high28 Ų2844.5 Ų44.517%0.1724%0.235CC..Hα-helixtrans-72.4-26.9-178169.80000112.2R114 I159 K170 V175 Y184R114-V163 HydrophobicContact CG-CG2 4.25Å; I159-V163 HydrophobicContact CG2-CG2 4.05Å; I159-V163 VanDerWaalsContact O-CB 3.27Å; I159-V163 WeakPolarHBondContact O-CB 3.16Å; I159-V163 WeakPolarHBondContact O-CG2 3.48Å; I159-V163 PolarHBondContact O-N 2.68Å; V163-K170 HydrophobicContact CG1-CD 4.44Å; V163-V175 HydrophobicContact CG2-CG1 4.19Å; V163-Y184 HydrophobicContact CG2-CE1 4.38Å
164N95.4Very high96.7Very high84 Ų8443.5 Ų43.545%0.44923%0.231SC..Hα-helixtrans-104.23.2-179.9-59.5-77.4000113.3N117 H160 F162N117-N164 PolarHBondContact ND2-ND2 2.87Å; N117-N164 PolarHBondContact ND2-OD1 2.88Å; H160-N164 PolarHBondContact CE1-ND2 2.96Å; H160-N164 VanDerWaalsContact CE1-ND2 3.25Å; H160-N164 PolarHBondContact ND1-ND2 3.38Å; H160-N164 VanDerWaalsContact ND1-ND2 3.18Å; H160-N164 WeakPolarHBondContact O-CB 3.1Å; H160-N164 PolarHBondContact O-N 3.43Å; H160-N164 PolarHBondContact O-ND2 3.11Å; F162-N164 VanDerWaalsContact C-N 3.31Å; F162-N164 PolarHBondContact O-N 3.47Å
165D95.1Very high96.6Very high38 Ų3843.5 Ų43.520%0.20323%0.231CC..  trans-85121.5175.3-173.9-31.5000109.8M161 D167 Y168M161-D165 VanDerWaalsContact O-CB 3.23Å; M161-D165 WeakPolarHBondContact O-CB 3.19Å; M161-D165 PolarHBondContact O-N 3.5Å; M161-D165 VanDerWaalsContact O-N 3.11Å; D165-D167 PolarHBondContact O-N 3.42Å; D165-D167 VanDerWaalsContact O-N 3.15Å; D165-D167 WeakPolarHBondContact OD1-CB 3.34Å; D165-D167 PolarHBondContact OD1-N 2.89Å; D165-Y168 HydrophobicContact CB-CD2 3.79Å; D165-Y168 HydrophobicContact CB-CE2 4.44Å; D165-Y168 PolarHBondContact O-N 2.83Å
166P94.9Very high96.6Very high125 Ų12548.4 Ų48.481%0.81225%0.252SS*.THydrogen-bonded Turntrans-63.4-18.9-177.126.9-35.7000114.1Y168P166-Y168 PolarHBondContact O-N 2.69Å
167D95Very high96.4Very high98 Ų9852 Ų5252%0.52427%0.268SS..THydrogen-bonded Turntrans-72.8-16.1175-76-5.6000112.9D165 K177D165-D167 PolarHBondContact O-N 3.42Å; D165-D167 VanDerWaalsContact O-N 3.15Å; D165-D167 WeakPolarHBondContact OD1-CB 3.34Å; D165-D167 PolarHBondContact OD1-N 2.89Å; D167-K177 HydrophobicContact CB-CD 4.1Å; D167-K177 IonicContact OD2-NZ 3.81Å; D167-K177 PolarHBondContact OD2-NZ 2.86Å
168Y96.2Very high96.2Very high32 Ų3255 Ų5513%0.12530%0.299CS..SBendtrans-108.1134.4-177.8-69-95.1000110.9F162 D165 P166 V175 K176 K177 M182F162-Y168 HydrophobicContact CD1-CD1 4.21Å; F162-Y168 HydrophobicContact CD1-CD2 4.14Å; F162-Y168 AromaticContact CD1-CE1 3.86Å; F162-Y168 HydrophobicContact CD1-CE1 3.86Å; F162-Y168 AromaticContact CD1-CE2 3.75Å; F162-Y168 HydrophobicContact CD1-CE2 3.75Å; F162-Y168 HydrophobicContact CD1-CG 4.35Å; F162-Y168 AromaticContact CD1-CZ 3.6Å; F162-Y168 HydrophobicContact CE1-CE1 4.09Å; F162-Y168 HydrophobicContact CE1-CE2 4.09Å; F162-Y168 AromaticContact CE1-CZ 3.64Å; F162-Y168 WeakPolarHBondContact O-CB 3.47Å; D165-Y168 HydrophobicContact CB-CD2 3.79Å; D165-Y168 HydrophobicContact CB-CE2 4.44Å; D165-Y168 PolarHBondContact O-N 2.83Å; P166-Y168 PolarHBondContact O-N 2.69Å; Y168-V175 HydrophobicContact CD1-CB 4.24Å; Y168-V175 HydrophobicContact CD1-CG2 4.09Å; Y168-K176 CarbonylContact C-O 3.56Å; Y168-K176 WeakPolarHBondContact CA-O 3.14Å; Y168-K177 HydrophobicContact CD1-CB 3.59Å; Y168-K177 HydrophobicContact CD1-CD 4.45Å; Y168-K177 HydrophobicContact CD2-CD 4.32Å; Y168-K177 HydrophobicContact CE1-CB 3.5Å; Y168-K177 HydrophobicContact CE1-CD 3.91Å; Y168-K177 HydrophobicContact CE1-CG 4.34Å; Y168-K177 HydrophobicContact CE2-CD 3.81Å; Y168-K177 HydrophobicContact CG-CB 4.22Å; Y168-M182 HydrophobicContact CD1-CE 4.34Å; Y168-M182 HydrophobicContact CE1-CE 3.64Å
169T96.4Very high95.9Very high93 Ų9361 Ų6157%0.57134%0.341SS*.EExtended strand (participates in β ladder)trans-93.3120.3170.2-52.90000109.3V171 V175 K176T169-V171 PolarHBondContact O-N 3.26Å; T169-V175 WeakPolarHBondContact O-CA 3.18Å; T169-K176 PolarHBondContact N-O 2.91Å; T169-K176 PolarHBondContact O-N 3.02Å
170K94.3Very high95.8Very high91 Ų9165 Ų6540%0.39636%0.362SS..EExtended strand (participates in β ladder)trans-63.8128.9169.7178.2-174.4167.5-170.90109.8E123 V163E123-K170 IonicContact OE1-NZ 3.77Å; E123-K170 PolarHBondContact OE1-NZ 3.21Å; E123-K170 IonicContact OE2-NZ 2.76Å; V163-K170 HydrophobicContact CG1-CD 4.44Å
171V95.4Very high95.7Very high52 Ų5268.2 Ų68.232%0.31537%0.373SS..EExtended strand (participates in β ladder)trans-121.1173.3169.7-62.70000109.3T169 H173 G174 Y181T169-V171 PolarHBondContact O-N 3.26Å; V171-H173 VanDerWaalsContact C-N 3.34Å; V171-H173 PolarHBondContact O-N 2.98Å; V171-G174 VanDerWaalsContact CG2-C 3.45Å; V171-G174 VanDerWaalsContact CG2-O 3.28Å; V171-G174 WeakPolarHBondContact CG2-O 3.36Å; V171-G174 PolarHBondContact N-O 3.23Å; V171-G174 PolarHBondContact O-N 3.4Å; V171-G174 VanDerWaalsContact O-O 3.06Å; V171-Y181 HydrophobicContact CG2-CD2 4.21Å; V171-Y181 HydrophobicContact CG2-CE2 3.7Å
172E94.1Very high95.7Very high126 Ų12669 Ų6959%0.58938%0.377SS*.THydrogen-bonded Turntrans-56-45-171.5-168.9177.8175.700113.6Y97Y97-E172 HydrophobicContact CE1-CG 4.07Å
173H97.1Very high95.7Very high60 Ų6070 Ų7028%0.27839%0.385SS..THydrogen-bonded Turntrans-115.622.5-174.9-54.3-52.3000113.6L96 Y97 V171 Y181 S183 Y184L96-H173 WeakPolarHBondContact CD1-ND1 3.4Å; L96-H173 WeakPolarHBondContact O-CA 3.19Å; L96-H173 PolarHBondContact O-ND1 3.48Å; L96-H173 VanDerWaalsContact O-ND1 3.14Å; Y97-H173 AromaticContact CD1-ND1 3.87Å; Y97-H173 AromaticContact CE1-CE1 3.57Å; Y97-H173 AromaticContact CE1-ND1 3.73Å; V171-H173 VanDerWaalsContact C-N 3.34Å; V171-H173 PolarHBondContact O-N 2.98Å; H173-Y181 PolarHBondContact O-OH 3.18Å; H173-S183 VanDerWaalsContact O-CA 3.28Å; H173-S183 WeakPolarHBondContact O-CA 3.32Å; H173-Y184 WeakPolarHBondContact O-CD2 3.15Å; H173-Y184 PolarHBondContact O-N 3.3Å
174G97.8Very high95.9Very high0 Ų068.8 Ų68.80%038%0.377CS..EExtended strand (participates in β ladder)trans167.5-152.9-179.600000114.9V171 M182V171-G174 VanDerWaalsContact CG2-C 3.45Å; V171-G174 VanDerWaalsContact CG2-O 3.28Å; V171-G174 WeakPolarHBondContact CG2-O 3.36Å; V171-G174 PolarHBondContact N-O 3.23Å; V171-G174 PolarHBondContact O-N 3.4Å; V171-G174 VanDerWaalsContact O-O 3.06Å; G174-M182 CarbonylContact C-O 3.6Å; G174-M182 WeakPolarHBondContact CA-O 3.48Å
175V97.7Very high96Very high1 Ų166.2 Ų66.21%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-133.9152178.4-65.50000111F162 V163 Y168 T169 M182F162-V175 HydrophobicContact CB-CG1 4.13Å; F162-V175 HydrophobicContact CB-CG2 4.04Å; F162-V175 HydrophobicContact CG-CG2 4.35Å; V163-V175 HydrophobicContact CG2-CG1 4.19Å; Y168-V175 HydrophobicContact CD1-CB 4.24Å; Y168-V175 HydrophobicContact CD1-CG2 4.09Å; T169-V175 WeakPolarHBondContact O-CA 3.18Å; V175-M182 HydrophobicContact CG2-CB 4.09Å; V175-M182 HydrophobicContact CG2-CE 3.81Å; V175-M182 PolarHBondContact N-O 3.48Å; V175-M182 PolarHBondContact O-N 3.34Å
176K97.4Very high96.1Very high102 Ų10266.1 Ų66.144%0.44337%0.37SS..EExtended strand (participates in β ladder)trans-129.5136.3179.6-174.6177.7177.6177.10111.5Y168 T169 G178 L180Y168-K176 CarbonylContact C-O 3.56Å; Y168-K176 WeakPolarHBondContact CA-O 3.14Å; T169-K176 PolarHBondContact N-O 2.91Å; T169-K176 PolarHBondContact O-N 3.02Å; K176-G178 WeakPolarHBondContact CE-O 3.43Å; K176-L180 CarbonylContact C-O 3.59Å; K176-L180 VanDerWaalsContact CA-O 3.25Å; K176-L180 WeakPolarHBondContact CA-O 3.33Å; K176-L180 WeakPolarHBondContact CG-O 3.16Å
177K95.2Very high96.3Very high80 Ų8060.2 Ų60.235%0.34833%0.331SS..EExtended strand (participates in β ladder)trans-132.9107.6170.2177.9170.3-173.5161.70109.5D167 Y168 S179 L180D167-K177 HydrophobicContact CB-CD 4.1Å; D167-K177 IonicContact OD2-NZ 3.81Å; D167-K177 PolarHBondContact OD2-NZ 2.86Å; Y168-K177 HydrophobicContact CD1-CB 3.59Å; Y168-K177 HydrophobicContact CD1-CD 4.45Å; Y168-K177 HydrophobicContact CD2-CD 4.32Å; Y168-K177 HydrophobicContact CE1-CB 3.5Å; Y168-K177 HydrophobicContact CE1-CD 3.91Å; Y168-K177 HydrophobicContact CE1-CG 4.34Å; Y168-K177 HydrophobicContact CE2-CD 3.81Å; Y168-K177 HydrophobicContact CG-CB 4.22Å; K177-S179 PolarHBondContact O-N 3.24Å; K177-L180 PolarHBondContact N-O 3.16Å; K177-L180 WeakPolarHBondContact O-CB 3.48Å; K177-L180 PolarHBondContact O-N 3.02Å
178G93.1Very high96.4Very high66 Ų6655.9 Ų55.968%0.6831%0.308SS*.THydrogen-bonded Turntrans59.7-120.1-173.100000111.6K176K176-G178 WeakPolarHBondContact CE-O 3.43Å
179S93.2Very high96.5Very high128 Ų12859.8 Ų59.890%0.89533%0.327SS*.THydrogen-bonded Turntrans-86.3-10.9174.654.40000114.2K177K177-S179 PolarHBondContact O-N 3.24Å
180L94.2Very high96.6Very high87 Ų8758.5 Ų58.546%0.45532%0.317SS..EExtended strand (participates in β ladder)trans-79124.8179.3-179.267.5000110.1K176 K177 M182K176-L180 CarbonylContact C-O 3.59Å; K176-L180 VanDerWaalsContact CA-O 3.25Å; K176-L180 WeakPolarHBondContact CA-O 3.33Å; K176-L180 WeakPolarHBondContact CG-O 3.16Å; K177-L180 PolarHBondContact N-O 3.16Å; K177-L180 WeakPolarHBondContact O-CB 3.48Å; K177-L180 PolarHBondContact O-N 3.02Å; L180-M182 HydrophobicContact CD1-CG 4.45Å; L180-M182 HydrophobicContact CD2-CE 4.4Å; L180-M182 HydrophobicContact CD2-CG 4.49Å; L180-M182 HydrophobicContact CD2-SD 4.39Å; L180-M182 HydrophobicContact CG-CG 4.28Å
181Y97Very high96.8Very high121 Ų12154.2 Ų54.248%0.47530%0.298SS..EExtended strand (participates in β ladder)trans-116.8132168.6168.4-110.7000109.1V171 H173 S183V171-Y181 HydrophobicContact CG2-CD2 4.21Å; V171-Y181 HydrophobicContact CG2-CE2 3.7Å; H173-Y181 PolarHBondContact O-OH 3.18Å; Y181-S183 WeakPolarHBondContact OH-CB 3.3Å
182M96.8Very high96.9Very high31 Ų3155.4 Ų55.415%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-123.8118.3173.2-64.7-176.1-67.500108.8F162 Y168 G174 V175 L180 I187F162-M182 HydrophobicContact CD1-CE 4.04Å; F162-M182 HydrophobicContact CD2-CE 4.26Å; F162-M182 HydrophobicContact CE1-CE 3.75Å; F162-M182 HydrophobicContact CE2-CE 3.95Å; F162-M182 HydrophobicContact CG-CE 4.3Å; F162-M182 HydrophobicContact CZ-CE 3.7Å; F162-M182 HydrophobicContact CZ-SD 4.4Å; Y168-M182 HydrophobicContact CD1-CE 4.34Å; Y168-M182 HydrophobicContact CE1-CE 3.64Å; G174-M182 CarbonylContact C-O 3.6Å; G174-M182 WeakPolarHBondContact CA-O 3.48Å; V175-M182 HydrophobicContact CG2-CB 4.09Å; V175-M182 HydrophobicContact CG2-CE 3.81Å; V175-M182 PolarHBondContact N-O 3.48Å; V175-M182 PolarHBondContact O-N 3.34Å; L180-M182 HydrophobicContact CD1-CG 4.45Å; L180-M182 HydrophobicContact CD2-CE 4.4Å; L180-M182 HydrophobicContact CD2-CG 4.49Å; L180-M182 HydrophobicContact CD2-SD 4.39Å; L180-M182 HydrophobicContact CG-CG 4.28Å; M182-I187 HydrophobicContact CB-CD1 4.45Å; M182-I187 HydrophobicContact CB-CG1 4.47Å
183S98.2Very high97.1Very high28 Ų2852.9 Ų52.920%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-76.2155.8173.171.50000110.8H173 Y181 A185 S186 I187H173-S183 VanDerWaalsContact O-CA 3.28Å; H173-S183 WeakPolarHBondContact O-CA 3.32Å; Y181-S183 WeakPolarHBondContact OH-CB 3.3Å; S183-A185 PolarHBondContact O-N 3.27Å; S183-S186 PolarHBondContact N-OG 2.87Å; S183-S186 VanDerWaalsContact N-OG 3.17Å; S183-S186 PolarHBondContact O-N 3.16Å; S183-S186 PolarHBondContact O-OG 3.11Å; S183-S186 WeakPolarHBondContact OG-CB 3.41Å; S183-S186 PolarHBondContact OG-N 3.32Å; S183-S186 PolarHBondContact OG-OG 2.98Å; S183-I187 WeakPolarHBondContact O-CG1 3.33Å; S183-I187 PolarHBondContact O-N 3.08Å; S183-I187 VanDerWaalsContact O-N 3.11Å
184Y98.5Very high97.2Very high1 Ų150 Ų500%0.00428%0.277CS..Hα-helixtrans-65.5-29.8172.1-63.9-57000112.5R95 Y97 G98 R114 I159 V163 H173 I187 Y188R95-Y184 CarbonylContact O-C 3.6Å; R95-Y184 WeakPolarHBondContact O-CB 3.37Å; Y97-Y184 VanDerWaalsContact O-CD2 3.28Å; Y97-Y184 WeakPolarHBondContact O-CD2 3.29Å; Y97-Y184 WeakPolarHBondContact O-CE2 3.38Å; G98-Y184 VanDerWaalsContact CA-CB 3.49Å; R114-Y184 WeakPolarHBondContact CD-OH 3.34Å; I159-Y184 HydrophobicContact CD1-CD1 4.4Å; I159-Y184 HydrophobicContact CG1-CD1 4.34Å; I159-Y184 HydrophobicContact CG2-CE1 4.09Å; V163-Y184 HydrophobicContact CG2-CE1 4.38Å; H173-Y184 WeakPolarHBondContact O-CD2 3.15Å; H173-Y184 PolarHBondContact O-N 3.3Å; Y184-I187 HydrophobicContact CD1-CD1 4.34Å; Y184-I187 PolarHBondContact O-N 2.99Å; Y184-Y188 WeakPolarHBondContact O-CB 3.39Å; Y184-Y188 PolarHBondContact O-N 3Å
185A98.1Very high97.2Very high31 Ų3150 Ų5026%0.25628%0.277SS..Hα-helixtrans-63.5-47.1173.800000111.7R95 S183 I187 Y188 E189R95-A185 HydrophobicContact CB-CB 4.3Å; R95-A185 PolarHBondContact O-N 3.4Å; R95-A185 VanDerWaalsContact O-N 3.08Å; S183-A185 PolarHBondContact O-N 3.27Å; A185-I187 PolarHBondContact O-N 2.84Å; A185-Y188 WeakPolarHBondContact O-CB 3.46Å; A185-Y188 PolarHBondContact O-N 3.23Å; A185-Y188 VanDerWaalsContact O-N 3.15Å; A185-E189 WeakPolarHBondContact O-CG 3.42Å; A185-E189 PolarHBondContact O-N 3.17Å
186S97.8Very high97.1Very high35 Ų3552.6 Ų52.625%0.24529%0.291CS..Hα-helixtrans-65.6-38.6177.460.20000112.4S183 Y188 E189 D190S183-S186 PolarHBondContact N-OG 2.87Å; S183-S186 VanDerWaalsContact N-OG 3.17Å; S183-S186 PolarHBondContact O-N 3.16Å; S183-S186 PolarHBondContact O-OG 3.11Å; S183-S186 WeakPolarHBondContact OG-CB 3.41Å; S183-S186 PolarHBondContact OG-N 3.32Å; S183-S186 PolarHBondContact OG-OG 2.98Å; S186-Y188 VanDerWaalsContact C-N 3.27Å; S186-Y188 PolarHBondContact O-N 2.86Å; S186-E189 PolarHBondContact O-N 3.23Å; S186-D190 PolarHBondContact O-N 3.5Å
187I98.1Very high97.1Very high1 Ų150.9 Ų50.91%0.00528%0.281CS..Hα-helixtrans-59.4-42.3172.9-70168.8000110.7I158 I159 F162 M182 S183 Y184 A185 V191I158-I187 HydrophobicContact CG2-CG2 3.71Å; I159-I187 HydrophobicContact CG1-CG2 4.34Å; F162-I187 HydrophobicContact CD2-CD1 4.16Å; F162-I187 HydrophobicContact CE2-CD1 4.49Å; M182-I187 HydrophobicContact CB-CD1 4.45Å; M182-I187 HydrophobicContact CB-CG1 4.47Å; S183-I187 WeakPolarHBondContact O-CG1 3.33Å; S183-I187 PolarHBondContact O-N 3.08Å; S183-I187 VanDerWaalsContact O-N 3.11Å; Y184-I187 HydrophobicContact CD1-CD1 4.34Å; Y184-I187 PolarHBondContact O-N 2.99Å; A185-I187 PolarHBondContact O-N 2.84Å; I187-V191 WeakPolarHBondContact O-CG2 3.25Å; I187-V191 PolarHBondContact O-N 3.1Å; I187-V191 VanDerWaalsContact O-N 3.17Å
188Y98.4Very high97.3Very high7 Ų747 Ų473%0.02727%0.265CS..Hα-helixtrans-64.1-44.3176.2169.3-91.6000112.2F93 R95 E141 M143 L155 Y184 A185 S186 D190 V191 R192F93-Y188 AromaticContact CD1-CD2 3.62Å; F93-Y188 HydrophobicContact CD1-CD2 3.62Å; F93-Y188 HydrophobicContact CD1-CE2 4.23Å; F93-Y188 HydrophobicContact CD1-CG 4.19Å; F93-Y188 AromaticContact CE1-CD2 3.63Å; F93-Y188 HydrophobicContact CE1-CD2 3.63Å; F93-Y188 AromaticContact CE1-CG 3.85Å; F93-Y188 HydrophobicContact CE1-CG 3.85Å; R95-Y188 HydrophobicContact CG-CD1 3.94Å; R95-Y188 HydrophobicContact CG-CE1 4.42Å; R95-Y188 HydrophobicContact CG-CG 4.04Å; R95-Y188 PolarHBondContact NH2-OH 2.86Å; E141-Y188 HydrophobicContact CB-CE2 3.98Å; E141-Y188 VanDerWaalsContact CD-OH 3.27Å; E141-Y188 HydrophobicContact CG-CE2 3.94Å; E141-Y188 VanDerWaalsContact CG-OH 3.27Å; E141-Y188 WeakPolarHBondContact CG-OH 3.33Å; E141-Y188 PolarHBondContact OE2-OH 2.91Å; E141-Y188 VanDerWaalsContact OE2-OH 3.08Å; M143-Y188 HydrophobicContact CE-CE2 4.22Å; L155-Y188 HydrophobicContact CD1-CD2 3.94Å; L155-Y188 HydrophobicContact CD1-CE2 4.37Å; L155-Y188 HydrophobicContact CD2-CD2 4.28Å; Y184-Y188 WeakPolarHBondContact O-CB 3.39Å; Y184-Y188 PolarHBondContact O-N 3Å; A185-Y188 WeakPolarHBondContact O-CB 3.46Å; A185-Y188 PolarHBondContact O-N 3.23Å; A185-Y188 VanDerWaalsContact O-N 3.15Å; S186-Y188 VanDerWaalsContact C-N 3.27Å; S186-Y188 PolarHBondContact O-N 2.86Å; Y188-D190 VanDerWaalsContact C-N 3.32Å; Y188-D190 PolarHBondContact O-N 2.92Å; Y188-V191 PolarHBondContact O-N 3.27Å; Y188-R192 HydrophobicContact CE1-CB 4.23Å; Y188-R192 HydrophobicContact CE1-CG 4.48Å; Y188-R192 VanDerWaalsContact O-CB 3.24Å; Y188-R192 WeakPolarHBondContact O-CB 3.44Å; Y188-R192 PolarHBondContact O-N 2.58Å
189E98Very high97.3Very high115 Ų11546.6 Ų46.654%0.53725%0.245SC..Hα-helixtrans-59.9-40.7177.8-72.7169.6-176.700112.5A185 S186 R192 T193A185-E189 WeakPolarHBondContact O-CG 3.42Å; A185-E189 PolarHBondContact O-N 3.17Å; S186-E189 PolarHBondContact O-N 3.23Å; E189-R192 PolarHBondContact O-N 3.25Å; E189-T193 VanDerWaalsContact O-CB 3.28Å; E189-T193 WeakPolarHBondContact O-CB 3.47Å; E189-T193 PolarHBondContact O-N 3.12Å; E189-T193 PolarHBondContact O-OG1 3.25Å
190D98.4Very high97.3Very high66 Ų6648.9 Ų48.935%0.35323%0.234SC..Hα-helixtrans-63.7-47.1176.4-74.8-25000111.7Y73 S186 Y188 T193 A194Y73-D190 HydrophobicContact CE2-CB 3.88Å; Y73-D190 VanDerWaalsContact OH-CB 3.24Å; Y73-D190 WeakPolarHBondContact OH-CB 3.48Å; Y73-D190 PolarHBondContact OH-OD2 3.32Å; S186-D190 PolarHBondContact O-N 3.5Å; Y188-D190 VanDerWaalsContact C-N 3.32Å; Y188-D190 PolarHBondContact O-N 2.92Å; D190-T193 PolarHBondContact O-N 3.15Å; D190-A194 PolarHBondContact O-N 3.35Å
191V98.4Very high97.3Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-64.5-45.1176.31760000111L68 E151 I154 L155 I158 I187 Y188 T193 A194 C195L68-V191 HydrophobicContact CD1-CG2 4.29Å; L68-V191 HydrophobicContact CD2-CG2 4.11Å; E151-V191 HydrophobicContact CG-CG1 4.14Å; I154-V191 HydrophobicContact CG2-CG1 3.67Å; L155-V191 HydrophobicContact CD2-CB 3.75Å; L155-V191 HydrophobicContact CD2-CG1 4.07Å; L155-V191 HydrophobicContact CD2-CG2 3.69Å; L155-V191 HydrophobicContact CG-CB 4.19Å; L155-V191 HydrophobicContact CG-CG1 3.93Å; L155-V191 HydrophobicContact CG-CG2 4.28Å; I158-V191 HydrophobicContact CD1-CG2 3.4Å; I158-V191 VanDerWaalsContact CD1-CG2 3.4Å; I187-V191 WeakPolarHBondContact O-CG2 3.25Å; I187-V191 PolarHBondContact O-N 3.1Å; I187-V191 VanDerWaalsContact O-N 3.17Å; Y188-V191 PolarHBondContact O-N 3.27Å; V191-T193 VanDerWaalsContact C-N 3.29Å; V191-T193 PolarHBondContact O-N 3.06Å; V191-A194 CarbonylContact O-C 3.55Å; V191-A194 WeakPolarHBondContact O-CA 3.23Å; V191-A194 WeakPolarHBondContact O-CB 3.45Å; V191-A194 PolarHBondContact O-N 3.35Å; V191-C195 PolarHBondContact O-N 3.06Å; V191-C195 PolarHBondContact O-SG 2.9Å; V191-C195 VanDerWaalsContact O-SG 3.33Å
192R97.8Very high97.3Very high78 Ų7842.3 Ų42.329%0.29421%0.213SC..Hα-helixtrans-58.3-44.3178.2-177.267.7-145.3174.5-4.4111E151 Y188 E189 A194 C195 D196E151-R192 WeakPolarHBondContact OE1-CD 3.39Å; E151-R192 IonicContact OE1-NH1 2.69Å; E151-R192 PolarHBondContact OE1-NH1 3.07Å; E151-R192 IonicContact OE2-NH1 3.45Å; E151-R192 PolarHBondContact OE2-NH1 2.92Å; Y188-R192 HydrophobicContact CE1-CB 4.23Å; Y188-R192 HydrophobicContact CE1-CG 4.48Å; Y188-R192 VanDerWaalsContact O-CB 3.24Å; Y188-R192 WeakPolarHBondContact O-CB 3.44Å; Y188-R192 PolarHBondContact O-N 2.58Å; E189-R192 PolarHBondContact O-N 3.25Å; R192-A194 VanDerWaalsContact C-N 3.32Å; R192-A194 PolarHBondContact O-N 2.85Å; R192-C195 WeakPolarHBondContact O-CB 3.46Å; R192-C195 PolarHBondContact O-N 2.93Å; R192-D196 IonicContact CZ-OD1 3.39Å; R192-D196 VanDerWaalsContact CZ-OD1 3.24Å; R192-D196 IonicContact NE-OD1 2.67Å; R192-D196 PolarHBondContact NE-OD1 3.37Å; R192-D196 VanDerWaalsContact NE-OD1 3.14Å; R192-D196 IonicContact NE-OD2 3.89Å; R192-D196 IonicContact NH2-OD1 3.3Å; R192-D196 PolarHBondContact NH2-OD1 3.19Å; R192-D196 WeakPolarHBondContact O-CB 3.3Å; R192-D196 PolarHBondContact O-N 2.82Å
193T97.9Very high97.4Very high72 Ų7241 Ų4144%0.44221%0.206SC..Hα-helixtrans-61.4-40175.7-61.60000111.9E189 D190 V191 W197E189-T193 VanDerWaalsContact O-CB 3.28Å; E189-T193 WeakPolarHBondContact O-CB 3.47Å; E189-T193 PolarHBondContact O-N 3.12Å; E189-T193 PolarHBondContact O-OG1 3.25Å; D190-T193 PolarHBondContact O-N 3.15Å; V191-T193 VanDerWaalsContact C-N 3.29Å; V191-T193 PolarHBondContact O-N 3.06Å; T193-W197 WeakPolarHBondContact O-CB 3.27Å; T193-W197 PolarHBondContact O-N 2.75Å
194A98.4Very high97.3Very high0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-66.7-41.8175.200000112.2I64 R67 L68 D190 V191 R192 W197 M198I64-A194 HydrophobicContact CG2-CB 4.05Å; R67-A194 HydrophobicContact CB-CB 4.18Å; R67-A194 HydrophobicContact CG-CB 3.72Å; L68-A194 HydrophobicContact CD2-CB 4.14Å; L68-A194 HydrophobicContact CG-CB 4.27Å; D190-A194 PolarHBondContact O-N 3.35Å; V191-A194 CarbonylContact O-C 3.55Å; V191-A194 WeakPolarHBondContact O-CA 3.23Å; V191-A194 WeakPolarHBondContact O-CB 3.45Å; V191-A194 PolarHBondContact O-N 3.35Å; R192-A194 VanDerWaalsContact C-N 3.32Å; R192-A194 PolarHBondContact O-N 2.85Å; A194-W197 PolarHBondContact O-N 3.4Å; A194-M198 WeakPolarHBondContact O-CB 3.21Å; A194-M198 PolarHBondContact O-N 3.25Å
195C98Very high97.3Very high0 Ų048.2 Ų48.20%024%0.236CC..Hα-helixtrans-61.8-47.9173.8-700000111.4I64 V191 R192 W197 M198 H199I64-C195 VanDerWaalsContact CD1-SG 3.52Å; V191-C195 PolarHBondContact O-N 3.06Å; V191-C195 PolarHBondContact O-SG 2.9Å; V191-C195 VanDerWaalsContact O-SG 3.33Å; R192-C195 WeakPolarHBondContact O-CB 3.46Å; R192-C195 PolarHBondContact O-N 2.93Å; C195-W197 VanDerWaalsContact C-N 3.31Å; C195-W197 PolarHBondContact O-N 2.96Å; C195-M198 WeakPolarHBondContact O-CB 3.32Å; C195-M198 PolarHBondContact O-N 2.68Å; C195-M198 VanDerWaalsContact O-N 3.16Å; C195-H199 PolarHBondContact O-N 2.66Å; C195-H199 PolarHBondContact O-ND1 3.09Å
196D96.7Very high97.3Very high55 Ų5551.5 Ų51.529%0.29424%0.242SC..Hα-helixtrans-62.6-39.9178.6-71.5-25000111.4R192 H199 R200R192-D196 IonicContact CZ-OD1 3.39Å; R192-D196 VanDerWaalsContact CZ-OD1 3.24Å; R192-D196 IonicContact NE-OD1 2.67Å; R192-D196 PolarHBondContact NE-OD1 3.37Å; R192-D196 VanDerWaalsContact NE-OD1 3.14Å; R192-D196 IonicContact NE-OD2 3.89Å; R192-D196 IonicContact NH2-OD1 3.3Å; R192-D196 PolarHBondContact NH2-OD1 3.19Å; R192-D196 WeakPolarHBondContact O-CB 3.3Å; R192-D196 PolarHBondContact O-N 2.82Å; D196-H199 PolarHBondContact O-N 3.32Å; D196-R200 WeakPolarHBondContact O-CG 3.42Å; D196-R200 PolarHBondContact O-N 3.46Å
197W97.8Very high97.3Very high66 Ų6649.8 Ų49.825%0.2523%0.23CC..Hα-helixtrans-60.7-44.2173171.480.1000112.2I63 R67 T193 A194 C195 R200 E202I63-W197 HydrophobicContact CG2-CE3 4.49Å; I63-W197 HydrophobicContact CG2-CH2 4.38Å; I63-W197 HydrophobicContact CG2-CZ3 3.65Å; R67-W197 HydrophobicContact CB-CE3 3.9Å; R67-W197 HydrophobicContact CB-CZ3 3.81Å; R67-W197 HydrophobicContact CG-CD2 4.22Å; R67-W197 HydrophobicContact CG-CE3 3.62Å; R67-W197 HydrophobicContact CG-CZ3 4Å; T193-W197 WeakPolarHBondContact O-CB 3.27Å; T193-W197 PolarHBondContact O-N 2.75Å; A194-W197 PolarHBondContact O-N 3.4Å; C195-W197 VanDerWaalsContact C-N 3.31Å; C195-W197 PolarHBondContact O-N 2.96Å; W197-R200 PolarHBondContact O-N 3.19Å; W197-E202 HydrophobicContact CH2-CB 4.01Å; W197-E202 HydrophobicContact CH2-CG 3.69Å; W197-E202 HydrophobicContact CZ2-CB 4.35Å; W197-E202 HydrophobicContact CZ2-CG 4.38Å; W197-E202 HydrophobicContact CZ3-CB 4.23Å; W197-E202 HydrophobicContact CZ3-CG 4.05Å
198M98.2Very high97.3Very high0 Ų052.8 Ų52.80%025%0.246CC..Iπ-helixtrans-61.4-48176.6170.3-171.675.700111.7A60 I63 I64 A194 C195 R200 G201 E202 L203A60-M198 VanDerWaalsContact CA-SD 3.52Å; A60-M198 HydrophobicContact CB-CE 3.94Å; A60-M198 HydrophobicContact CB-SD 3.67Å; I63-M198 HydrophobicContact CB-CG 4.23Å; I63-M198 HydrophobicContact CB-SD 4.03Å; I63-M198 HydrophobicContact CD1-CG 4.28Å; I63-M198 HydrophobicContact CD1-SD 4.37Å; I63-M198 HydrophobicContact CG2-CB 3.92Å; I63-M198 HydrophobicContact CG2-CG 3.7Å; I63-M198 HydrophobicContact CG2-SD 4.11Å; I64-M198 HydrophobicContact CD1-CE 3.81Å; I64-M198 HydrophobicContact CD1-SD 3.95Å; I64-M198 HydrophobicContact CG1-CE 4.04Å; I64-M198 HydrophobicContact CG1-SD 3.68Å; A194-M198 WeakPolarHBondContact O-CB 3.21Å; A194-M198 PolarHBondContact O-N 3.25Å; C195-M198 WeakPolarHBondContact O-CB 3.32Å; C195-M198 PolarHBondContact O-N 2.68Å; C195-M198 VanDerWaalsContact O-N 3.16Å; M198-R200 VanDerWaalsContact C-N 3.28Å; M198-R200 PolarHBondContact O-N 3.19Å; M198-G201 PolarHBondContact O-N 3.4Å; M198-E202 PolarHBondContact O-N 3.14Å; M198-E202 VanDerWaalsContact O-N 3.14Å; M198-L203 HydrophobicContact CE-CD2 4.26Å; M198-L203 HydrophobicContact CG-CB 3.69Å; M198-L203 PolarHBondContact O-N 2.87Å; M198-L203 VanDerWaalsContact O-N 3.08Å; M198-L203 HydrophobicContact SD-CB 4.39Å; M198-L203 HydrophobicContact SD-CD2 4.46Å
199H94.5Very high97.3Very high56 Ų5656 Ų5626%0.25927%0.274SS..Iπ-helixtrans-67.9-25.6-177.6-7397.7000113.2F147 C195 D196 G201F147-H199 AromaticContact CD1-NE2 3.69Å; F147-H199 AromaticContact CG-NE2 3.94Å; C195-H199 PolarHBondContact O-N 2.66Å; C195-H199 PolarHBondContact O-ND1 3.09Å; D196-H199 PolarHBondContact O-N 3.32Å; H199-G201 PolarHBondContact O-N 3.4Å
200R92.6Very high97.3Very high177 Ų17754.5 Ų54.567%0.66827%0.269SS*.Iπ-helixtrans-64.5-20.8175.8-83.3-172.3-69.1-101.32.9114.1D196 W197 M198D196-R200 WeakPolarHBondContact O-CG 3.42Å; D196-R200 PolarHBondContact O-N 3.46Å; W197-R200 PolarHBondContact O-N 3.19Å; M198-R200 VanDerWaalsContact C-N 3.28Å; M198-R200 PolarHBondContact O-N 3.19Å
201G93.5Very high97.3Very high27 Ų2752.8 Ų52.828%0.27826%0.26SS..Iπ-helixtrans175-30.2175.200000116.5M198 H199 L203 K204 Q205M198-G201 PolarHBondContact O-N 3.4Å; H199-G201 PolarHBondContact O-N 3.4Å; G201-L203 VanDerWaalsContact C-N 3.34Å; G201-L203 PolarHBondContact O-N 3.16Å; G201-K204 PolarHBondContact O-N 3.45Å; G201-Q205 WeakPolarHBondContact O-CB 3.48Å; G201-Q205 PolarHBondContact O-N 3.29Å
202E97.7Very high97.3Very high43 Ų4356.2 Ų56.220%0.20128%0.284CS..Iπ-helixtrans-60-43.8-174.9-174.771.2-161.400112.1I63 W197 M198 R206I63-E202 HydrophobicContact CD1-CG 4.22Å; I63-E202 HydrophobicContact CG1-CG 4.33Å; I63-E202 HydrophobicContact CG2-CB 4.27Å; I63-E202 HydrophobicContact CG2-CG 3.6Å; W197-E202 HydrophobicContact CH2-CB 4.01Å; W197-E202 HydrophobicContact CH2-CG 3.69Å; W197-E202 HydrophobicContact CZ2-CB 4.35Å; W197-E202 HydrophobicContact CZ2-CG 4.38Å; W197-E202 HydrophobicContact CZ3-CB 4.23Å; W197-E202 HydrophobicContact CZ3-CG 4.05Å; M198-E202 PolarHBondContact O-N 3.14Å; M198-E202 VanDerWaalsContact O-N 3.14Å; E202-R206 WeakPolarHBondContact O-CG 3.42Å; E202-R206 PolarHBondContact O-N 3.34Å; E202-R206 IonicContact OE1-CZ 3.87Å; E202-R206 IonicContact OE1-NE 3.46Å; E202-R206 PolarHBondContact OE1-NE 3.29Å; E202-R206 IonicContact OE1-NH2 2.91Å; E202-R206 PolarHBondContact OE1-NH2 3.3Å
203L98Very high97.3Very high4 Ų456.9 Ų56.92%0.02129%0.29CS..Hα-helixtrans-62.4-52.7176.9-178.659.8000110.3Y56 L59 A60 I63 M198 G201 Q205 R206 T207Y56-L203 HydrophobicContact CE2-CD1 4.03Å; Y56-L203 HydrophobicContact CE2-CD2 4.47Å; Y56-L203 HydrophobicContact CE2-CG 4.26Å; L59-L203 HydrophobicContact CD2-CD1 3.73Å; L59-L203 HydrophobicContact CG-CD1 3.96Å; A60-L203 HydrophobicContact CB-CD1 4.09Å; A60-L203 HydrophobicContact CB-CD2 4.34Å; I63-L203 HydrophobicContact CD1-CB 4.34Å; I63-L203 HydrophobicContact CD1-CD1 3.99Å; M198-L203 HydrophobicContact CE-CD2 4.26Å; M198-L203 HydrophobicContact CG-CB 3.69Å; M198-L203 PolarHBondContact O-N 2.87Å; M198-L203 VanDerWaalsContact O-N 3.08Å; M198-L203 HydrophobicContact SD-CB 4.39Å; M198-L203 HydrophobicContact SD-CD2 4.46Å; G201-L203 VanDerWaalsContact C-N 3.34Å; G201-L203 PolarHBondContact O-N 3.16Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Q205 PolarHBondContact O-N 3.23Å; L203-R206 PolarHBondContact O-N 2.76Å; L203-R206 VanDerWaalsContact O-N 3.16Å; L203-T207 WeakPolarHBondContact O-CB 3.47Å; L203-T207 PolarHBondContact O-N 3.42Å; L203-T207 PolarHBondContact O-OG1 2.99Å
204K97.5Very high97.3Very high47 Ų4754.4 Ų54.420%0.20427%0.273CS..Hα-helixtrans-52.9-48.8179.2-68.7179.8174.1176.40112G201 R206 T207 L208 D242 Y245G201-K204 PolarHBondContact O-N 3.45Å; K204-R206 PolarHBondContact O-N 3.31Å; K204-T207 PolarHBondContact O-N 3.44Å; K204-L208 WeakPolarHBondContact O-CG 3.3Å; K204-L208 PolarHBondContact O-N 2.94Å; K204-D242 IonicContact NZ-OD2 2.68Å; K204-D242 PolarHBondContact NZ-OD2 2.92Å; K204-Y245 HydrophobicContact CB-CD2 3.55Å; K204-Y245 HydrophobicContact CB-CE2 3.71Å; K204-Y245 HydrophobicContact CB-CG 4.27Å; K204-Y245 HydrophobicContact CD-CD1 4.25Å; K204-Y245 HydrophobicContact CD-CD2 3.98Å; K204-Y245 HydrophobicContact CD-CG 3.82Å; K204-Y245 HydrophobicContact CG-CD1 4.28Å; K204-Y245 HydrophobicContact CG-CD2 3.62Å; K204-Y245 HydrophobicContact CG-CE1 4.38Å; K204-Y245 HydrophobicContact CG-CE2 3.73Å; K204-Y245 HydrophobicContact CG-CG 3.91Å
205Q98Very high97.3Very high133 Ų13354.4 Ų54.462%0.62127%0.273SS*.Hα-helixtrans-58.6-47.9-179.8-174.3-176.423.400111.7G201 L203 L208 A209G201-Q205 WeakPolarHBondContact O-CB 3.48Å; G201-Q205 PolarHBondContact O-N 3.29Å; L203-Q205 VanDerWaalsContact C-N 3.33Å; L203-Q205 PolarHBondContact O-N 3.23Å; Q205-L208 PolarHBondContact O-N 3.06Å; Q205-A209 PolarHBondContact O-N 3.44Å
206R98.3Very high97.3Very high99 Ų9959.2 Ų59.237%0.37430%0.295SS..Hα-helixtrans-70.3-34.2179.9-66.5-168.4-168.5-1603.6112.6L59 E202 L203 K204 A209 N210L59-R206 HydrophobicContact CD1-CB 4.11Å; L59-R206 HydrophobicContact CD2-CB 4.13Å; E202-R206 WeakPolarHBondContact O-CG 3.42Å; E202-R206 PolarHBondContact O-N 3.34Å; E202-R206 IonicContact OE1-CZ 3.87Å; E202-R206 IonicContact OE1-NE 3.46Å; E202-R206 PolarHBondContact OE1-NE 3.29Å; E202-R206 IonicContact OE1-NH2 2.91Å; E202-R206 PolarHBondContact OE1-NH2 3.3Å; L203-R206 PolarHBondContact O-N 2.76Å; L203-R206 VanDerWaalsContact O-N 3.16Å; K204-R206 PolarHBondContact O-N 3.31Å; R206-A209 PolarHBondContact O-N 2.82Å; R206-N210 PolarHBondContact O-N 2.77Å
207T98.3Very high97.2Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-61.2-47.7173.3-54.40000110.8Y51 Y56 L203 K204 A209 N210 I211 Y214 V215 I249Y51-T207 HydrophobicContact CE1-CG2 4.2Å; Y56-T207 HydrophobicContact CE2-CG2 3.95Å; Y56-T207 WeakPolarHBondContact CE2-OG1 3.44Å; L203-T207 WeakPolarHBondContact O-CB 3.47Å; L203-T207 PolarHBondContact O-N 3.42Å; L203-T207 PolarHBondContact O-OG1 2.99Å; K204-T207 PolarHBondContact O-N 3.44Å; T207-A209 VanDerWaalsContact C-N 3.33Å; T207-A209 PolarHBondContact O-N 3.16Å; T207-N210 CarbonylContact O-C 3.6Å; T207-N210 VanDerWaalsContact O-C 3.24Å; T207-N210 PolarHBondContact O-N 2.91Å; T207-I211 WeakPolarHBondContact O-CA 3.38Å; T207-I211 PolarHBondContact O-N 3.43Å; T207-Y214 HydrophobicContact CG2-CD2 4.49Å; T207-V215 HydrophobicContact CG2-CG2 4.16Å; T207-I249 HydrophobicContact CG2-CD1 4.45Å
208L98.1Very high97.1Very high64 Ų6459.6 Ų59.634%0.33530%0.295SS..Hα-helixtrans-67.5-33.1179-64.7-172.7000112.7K204 Q205 N210 I211 Y245 A248 I249K204-L208 WeakPolarHBondContact O-CG 3.3Å; K204-L208 PolarHBondContact O-N 2.94Å; Q205-L208 PolarHBondContact O-N 3.06Å; L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 PolarHBondContact O-N 3.37Å; L208-I211 HydrophobicContact CD2-CD1 4.29Å; L208-Y245 HydrophobicContact CD1-CD2 4.01Å; L208-Y245 HydrophobicContact CD2-CD2 3.99Å; L208-Y245 HydrophobicContact CD2-CE2 3.93Å; L208-Y245 HydrophobicContact CG-CD2 3.94Å; L208-Y245 HydrophobicContact CG-CE2 4.04Å; L208-A248 HydrophobicContact CD1-CB 3.87Å; L208-A248 HydrophobicContact CD2-CB 3.53Å; L208-A248 HydrophobicContact CG-CB 4.33Å; L208-I249 HydrophobicContact CD2-CD1 3.98Å; L208-I249 HydrophobicContact CD2-CG1 4.24Å
209A98.3Very high96.8Very high74 Ų7463.5 Ų63.561%0.61232%0.32SS*.Hα-helixtrans-61.5-33.517600000112.9Q205 R206 T207Q205-A209 PolarHBondContact O-N 3.44Å; R206-A209 PolarHBondContact O-N 2.82Å; T207-A209 VanDerWaalsContact C-N 3.33Å; T207-A209 PolarHBondContact O-N 3.16Å
210N97.9Very high96.8Very high83 Ų8366 Ų6644%0.44433%0.328SS..THydrogen-bonded Turntrans-131.750.7179-59.8-52.7000111.7R206 T207 L208 S212 E213 Y214R206-N210 PolarHBondContact O-N 2.77Å; T207-N210 CarbonylContact O-C 3.6Å; T207-N210 VanDerWaalsContact O-C 3.24Å; T207-N210 PolarHBondContact O-N 2.91Å; L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 PolarHBondContact O-N 3.37Å; N210-S212 PolarHBondContact O-N 3.14Å; N210-E213 HydrophobicContact CB-CB 4.16Å; N210-E213 WeakPolarHBondContact O-CB 3.12Å; N210-E213 PolarHBondContact O-N 3.42Å; N210-Y214 HydrophobicContact CB-CD2 4.26Å; N210-Y214 HydrophobicContact CB-CE2 3.79Å; N210-Y214 WeakPolarHBondContact O-CD2 3.33Å
211I98Very high97Very high31 Ų3157.8 Ų57.816%0.15930%0.297CS..Hα-helixtrans-53.4-37-169.6-168.4164.9000114T207 L208 E213 Y214 V215 I249 Y252T207-I211 WeakPolarHBondContact O-CA 3.38Å; T207-I211 PolarHBondContact O-N 3.43Å; L208-I211 HydrophobicContact CD2-CD1 4.29Å; I211-E213 VanDerWaalsContact C-N 3.3Å; I211-E213 PolarHBondContact O-N 2.72Å; I211-Y214 PolarHBondContact O-N 3.45Å; I211-V215 HydrophobicContact CG1-CB 4.16Å; I211-V215 HydrophobicContact CG1-CG2 3.86Å; I211-V215 WeakPolarHBondContact O-CB 3.35Å; I211-V215 PolarHBondContact O-N 3.17Å; I211-I249 HydrophobicContact CD1-CD1 3.98Å; I211-I249 HydrophobicContact CG1-CD1 4.4Å; I211-Y252 HydrophobicContact CD1-CD1 3.63Å; I211-Y252 HydrophobicContact CD1-CD2 4.3Å; I211-Y252 HydrophobicContact CD1-CE1 4.42Å; I211-Y252 HydrophobicContact CD1-CG 3.61Å; I211-Y252 HydrophobicContact CG1-CD1 3.67Å; I211-Y252 HydrophobicContact CG1-CD2 4.36Å; I211-Y252 HydrophobicContact CG1-CE1 3.95Å; I211-Y252 HydrophobicContact CG1-CG 3.94Å; I211-Y252 HydrophobicContact CG2-CD2 3.68Å; I211-Y252 HydrophobicContact CG2-CE2 3.78Å; I211-Y252 HydrophobicContact CG2-CG 4.1Å
212S97.5Very high97Very high72 Ų7257.1 Ų57.150%0.50329%0.288SS..Hα-helixtrans-72.9-19.2179.958.40000114.9K52 N210 Y214 Y252K52-S212 PolarHBondContact NZ-O 2.74Å; N210-S212 PolarHBondContact O-N 3.14Å; S212-Y214 VanDerWaalsContact C-N 3.35Å; S212-Y252 VanDerWaalsContact CA-OH 3.22Å; S212-Y252 WeakPolarHBondContact CA-OH 3.5Å; S212-Y252 WeakPolarHBondContact CB-OH 3.43Å
213E98.3Very high96.9Very high92 Ų9257.7 Ų57.743%0.4330%0.295SS..Hα-helixtrans-75.5-30.8174.6-169.7-180146.500111.3K52 N210 I211K52-E213 WeakPolarHBondContact CD-O 3.39Å; N210-E213 HydrophobicContact CB-CB 4.16Å; N210-E213 WeakPolarHBondContact O-CB 3.12Å; N210-E213 PolarHBondContact O-N 3.42Å; I211-E213 VanDerWaalsContact C-N 3.3Å; I211-E213 PolarHBondContact O-N 2.72Å
214Y98.5Very high96.8Very high19 Ų1957.8 Ų57.88%0.07530%0.295CS..Hα-helixtrans-112.7-22.9-168.3-58.2-53.7000115Y51 K52 Q55 Y56 L59 T207 N210 I211 S212Y51-Y214 CarbonylContact C-O 3.54Å; Y51-Y214 VanDerWaalsContact CA-O 3.25Å; Y51-Y214 WeakPolarHBondContact CA-O 3.27Å; K52-Y214 PolarHBondContact N-O 3.03Å; Q55-Y214 HydrophobicContact CB-CD1 4.07Å; Q55-Y214 HydrophobicContact CB-CE1 4.22Å; Y56-Y214 HydrophobicContact CD2-CD1 4.46Å; Y56-Y214 HydrophobicContact CD2-CG 4.26Å; L59-Y214 HydrophobicContact CB-CE1 3.99Å; L59-Y214 HydrophobicContact CD2-CD1 4.32Å; L59-Y214 HydrophobicContact CD2-CD2 4.01Å; L59-Y214 HydrophobicContact CD2-CE1 4.07Å; L59-Y214 HydrophobicContact CD2-CE2 3.65Å; L59-Y214 HydrophobicContact CD2-CG 4.33Å; T207-Y214 HydrophobicContact CG2-CD2 4.49Å; N210-Y214 HydrophobicContact CB-CD2 4.26Å; N210-Y214 HydrophobicContact CB-CE2 3.79Å; N210-Y214 WeakPolarHBondContact O-CD2 3.33Å; I211-Y214 PolarHBondContact O-N 3.45Å; S212-Y214 VanDerWaalsContact C-N 3.35Å
215V98.4Very high96.8Very high0 Ų055.5 Ų55.50%029%0.285CS..BIsolated β-bridgetrans-112.7130-175.5-173.90000110Y51 K52 T207 I211 I249 Y252 I253Y51-V215 HydrophobicContact CD1-CG2 3.98Å; Y51-V215 HydrophobicContact CE1-CG2 3.85Å; K52-V215 WeakPolarHBondContact CE-O 3.19Å; T207-V215 HydrophobicContact CG2-CG2 4.16Å; I211-V215 HydrophobicContact CG1-CB 4.16Å; I211-V215 HydrophobicContact CG1-CG2 3.86Å; I211-V215 WeakPolarHBondContact O-CB 3.35Å; I211-V215 PolarHBondContact O-N 3.17Å; V215-I249 HydrophobicContact CG2-CD1 3.87Å; V215-Y252 HydrophobicContact CB-CD1 4.46Å; V215-Y252 HydrophobicContact CB-CE1 3.98Å; V215-Y252 HydrophobicContact CG1-CD1 4.37Å; V215-Y252 HydrophobicContact CG1-CE1 4.16Å; V215-I253 HydrophobicContact CG1-CG2 3.57Å
216E96.7Very high96.6Very high102 Ų10251.6 Ų51.648%0.47727%0.268SS..  trans-77.3141.7172.8-63.6-167167.800111Q50 K52Q50-E216 HydrophobicContact CB-CB 4.28Å; Q50-E216 PolarHBondContact O-N 2.51Å; K52-E216 HydrophobicContact CD-CG 4.39Å; K52-E216 HydrophobicContact CG-CG 3.43Å; K52-E216 VanDerWaalsContact CG-CG 3.43Å
217R95.3Very high96.4Very high94 Ų9453.5 Ų53.536%0.35528%0.276SS..  trans-110.6130.2168.5-61.2-175.284.9-144.4-7.7108.6Y252 D256R217-Y252 WeakPolarHBondContact CD-OH 2.95Å; R217-Y252 HydrophobicContact CG-CD1 4.06Å; R217-Y252 HydrophobicContact CG-CE1 3.39Å; R217-Y252 HydrophobicContact CG-CE2 4.47Å; R217-Y252 PolarHBondContact NE-O 3.08Å; R217-Y252 PolarHBondContact NH2-O 3.2Å; R217-D256 IonicContact CZ-OD1 3.18Å; R217-D256 IonicContact NH1-OD1 2.69Å; R217-D256 PolarHBondContact NH1-OD1 3.36Å; R217-D256 VanDerWaalsContact NH2-N 3.13Å; R217-D256 IonicContact NH2-OD1 3.67Å; R217-D256 PolarHBondContact NH2-OD1 3.39Å; R217-D256 IonicContact NH2-OD2 3.57Å
218D95Very high96.4Very high35 Ų3553.7 Ų53.719%0.18728%0.276CS..  trans-127.5110.6173.1-167.7-31.3000109.7R220 L221 I453D218-R220 PolarHBondContact O-N 2.94Å; D218-R220 WeakPolarHBondContact OD1-CB 3.48Å; D218-R220 VanDerWaalsContact OD1-CG 3.3Å; D218-R220 WeakPolarHBondContact OD1-CG 3.5Å; D218-R220 IonicContact OD1-CZ 3.19Å; D218-R220 PolarHBondContact OD1-N 3.26Å; D218-R220 IonicContact OD1-NE 3.06Å; D218-R220 PolarHBondContact OD1-NE 2.68Å; D218-R220 IonicContact OD1-NH2 2.62Å; D218-R220 IonicContact OD2-CZ 3.05Å; D218-R220 IonicContact OD2-NE 2.68Å; D218-R220 PolarHBondContact OD2-NE 3.08Å; D218-R220 IonicContact OD2-NH2 3.87Å; D218-R220 PolarHBondContact OD2-NH2 3.22Å; D218-L221 WeakPolarHBondContact O-CB 3.09Å; D218-L221 PolarHBondContact O-N 2.87Å; D218-I453 HydrophobicContact CB-CD1 3.57Å; D218-I453 WeakPolarHBondContact OD2-CD1 3.48Å
219P92.1Very high96.2Very high81 Ų8153.7 Ų53.753%0.52627%0.272SS..THydrogen-bonded Turntrans-62.8-18.3-177.525.6-34.8000112.9L221P219-L221 PolarHBondContact O-N 2.84Å
220R95.1Very high96Very high109 Ų10956 Ų5641%0.41128%0.278SS..Hα-helixtrans-67.8-20.3174.6-59.5173.3-70.8-177.2-7112D218 T223 L224 I453 I456 Y457D218-R220 PolarHBondContact O-N 2.94Å; D218-R220 WeakPolarHBondContact OD1-CB 3.48Å; D218-R220 VanDerWaalsContact OD1-CG 3.3Å; D218-R220 WeakPolarHBondContact OD1-CG 3.5Å; D218-R220 IonicContact OD1-CZ 3.19Å; D218-R220 PolarHBondContact OD1-N 3.26Å; D218-R220 IonicContact OD1-NE 3.06Å; D218-R220 PolarHBondContact OD1-NE 2.68Å; D218-R220 IonicContact OD1-NH2 2.62Å; D218-R220 IonicContact OD2-CZ 3.05Å; D218-R220 IonicContact OD2-NE 2.68Å; D218-R220 PolarHBondContact OD2-NE 3.08Å; D218-R220 IonicContact OD2-NH2 3.87Å; D218-R220 PolarHBondContact OD2-NH2 3.22Å; R220-T223 WeakPolarHBondContact O-CB 3.38Å; R220-T223 PolarHBondContact O-N 3.32Å; R220-L224 PolarHBondContact O-N 2.76Å; R220-I453 HydrophobicContact CB-CG2 3.86Å; R220-I456 HydrophobicContact CB-CD1 4.3Å; R220-Y457 PolarHBondContact NH1-OH 2.95Å
221L96.4Very high95.7Very high4 Ų456.9 Ų56.92%0.02128%0.283CS..Hα-helixtrans-63.5-48179.5-171.960.9000111.8L48 D218 P219 T223 L224 L225 I253 L254 I453L48-L221 HydrophobicContact CB-CD2 4.45Å; L48-L221 HydrophobicContact CD2-CD1 3.72Å; D218-L221 WeakPolarHBondContact O-CB 3.09Å; D218-L221 PolarHBondContact O-N 2.87Å; P219-L221 PolarHBondContact O-N 2.84Å; L221-T223 PolarHBondContact O-N 2.89Å; L221-L224 WeakPolarHBondContact O-CB 3.47Å; L221-L224 PolarHBondContact O-N 2.85Å; L221-L224 VanDerWaalsContact O-N 3.16Å; L221-L225 HydrophobicContact CG-CD1 4.48Å; L221-L225 WeakPolarHBondContact O-CG 3.3Å; L221-L225 PolarHBondContact O-N 3.15Å; L221-I253 HydrophobicContact CD2-CB 4.45Å; L221-I253 HydrophobicContact CD2-CD1 3.85Å; L221-I253 HydrophobicContact CD2-CG1 4.05Å; L221-L254 HydrophobicContact CB-CD2 4.37Å; L221-L254 HydrophobicContact CD2-CD2 3.75Å; L221-L254 HydrophobicContact CG-CD2 3.84Å; L221-I453 HydrophobicContact CD1-CG1 4.4Å
222C94.9Very high95.4Very high14 Ų1458.5 Ų58.510%0.09531%0.308CS..Hα-helixtrans-55.5-43.7173.1-67.10000111.2L224 L225 D226 Y269C222-L224 PolarHBondContact O-N 2.93Å; C222-L225 PolarHBondContact O-N 2.79Å; C222-D226 WeakPolarHBondContact O-CB 3.18Å; C222-D226 PolarHBondContact O-N 3.26Å; C222-Y269 HydrophobicContact CB-CE1 4.05Å
223T94.3Very high95.3Very high55 Ų5555.5 Ų55.534%0.33729%0.287SS..Hα-helixtrans-64.5-40.6179.2-56.80000111.9R220 L221 R227 I456R220-T223 WeakPolarHBondContact O-CB 3.38Å; R220-T223 PolarHBondContact O-N 3.32Å; L221-T223 PolarHBondContact O-N 2.89Å; T223-R227 HydrophobicContact CG2-CG 4.34Å; T223-R227 WeakPolarHBondContact O-CB 3.33Å; T223-R227 VanDerWaalsContact O-CG 3.25Å; T223-R227 WeakPolarHBondContact O-CG 3.41Å; T223-R227 PolarHBondContact O-N 3.27Å; T223-I456 HydrophobicContact CG2-CD1 3.8Å
224L96.6Very high95.3Very high5 Ų555 Ų553%0.02628%0.284CS..Hα-helixtrans-60.2-54.3176.1171.564.7000110.6R220 L221 C222 D226 R227 L228 L455R220-L224 PolarHBondContact O-N 2.76Å; L221-L224 WeakPolarHBondContact O-CB 3.47Å; L221-L224 PolarHBondContact O-N 2.85Å; L221-L224 VanDerWaalsContact O-N 3.16Å; C222-L224 PolarHBondContact O-N 2.93Å; L224-D226 VanDerWaalsContact C-N 3.31Å; L224-D226 PolarHBondContact O-N 3.05Å; L224-R227 PolarHBondContact O-N 3.32Å; L224-L228 HydrophobicContact CD1-CD1 4.17Å; L224-L228 HydrophobicContact CD1-CG 4.23Å; L224-L228 HydrophobicContact CG-CD1 4.22Å; L224-L228 WeakPolarHBondContact O-CG 3.02Å; L224-L228 PolarHBondContact O-N 3.04Å; L224-L455 HydrophobicContact CD1-CB 3.7Å
225L96.8Very high95.3Very high0 Ų054.1 Ų54.10%028%0.28CS..Hα-helixtrans-60.4-41.7-177-63.5173.3000111.5F42 L48 L221 C222 L228 R229 V235 L254 Y269 F270F42-L225 HydrophobicContact CE2-CD2 4.3Å; L48-L225 HydrophobicContact CD2-CD2 4.44Å; L221-L225 HydrophobicContact CG-CD1 4.48Å; L221-L225 WeakPolarHBondContact O-CG 3.3Å; L221-L225 PolarHBondContact O-N 3.15Å; C222-L225 PolarHBondContact O-N 2.79Å; L225-L228 PolarHBondContact O-N 2.87Å; L225-R229 PolarHBondContact O-N 3.23Å; L225-V235 HydrophobicContact CD2-CG1 3.96Å; L225-L254 HydrophobicContact CD1-CD1 3.79Å; L225-L254 HydrophobicContact CD1-CD2 3.85Å; L225-Y269 HydrophobicContact CB-CD1 3.92Å; L225-Y269 HydrophobicContact CD1-CD1 4.25Å; L225-Y269 HydrophobicContact CD1-CG 4.23Å; L225-F270 HydrophobicContact CD1-CZ 4Å; L225-F270 HydrophobicContact CD2-CE1 4.27Å; L225-F270 HydrophobicContact CD2-CZ 4.46Å
226D94.1Very high95.3Very high50 Ų5054.1 Ų54.127%0.26728%0.28SS..Hα-helixtrans-65.5-44.7176.5-78.6-25.2000112.6C222 L224 L228 R229 V230 R264C222-D226 WeakPolarHBondContact O-CB 3.18Å; C222-D226 PolarHBondContact O-N 3.26Å; L224-D226 VanDerWaalsContact C-N 3.31Å; L224-D226 PolarHBondContact O-N 3.05Å; D226-L228 VanDerWaalsContact C-N 3.3Å; D226-L228 PolarHBondContact O-N 3.21Å; D226-R229 PolarHBondContact O-N 2.89Å; D226-V230 WeakPolarHBondContact O-CB 3.29Å; D226-V230 VanDerWaalsContact O-CG2 3.28Å; D226-V230 WeakPolarHBondContact O-CG2 3.46Å; D226-V230 PolarHBondContact O-N 3.1Å; D226-R264 VanDerWaalsContact CG-NH1 3.3Å; D226-R264 IonicContact OD1-CZ 2.96Å; D226-R264 IonicContact OD1-NH1 2.73Å; D226-R264 PolarHBondContact OD1-NH1 3.17Å; D226-R264 IonicContact OD1-NH2 3.49Å; D226-R264 PolarHBondContact OD1-NH2 3.41Å; D226-R264 IonicContact OD2-NH1 3.41Å; D226-R264 PolarHBondContact OD2-NH1 3.3Å
227R95.1Very high95.3Very high140 Ų14049.3 Ų49.353%0.52826%0.257SS..Hα-helixtrans-64.6-33.7179.2-76.7-178.9178.8-171.61.1112.9T223 L224 N231T223-R227 HydrophobicContact CG2-CG 4.34Å; T223-R227 WeakPolarHBondContact O-CB 3.33Å; T223-R227 VanDerWaalsContact O-CG 3.25Å; T223-R227 WeakPolarHBondContact O-CG 3.41Å; T223-R227 PolarHBondContact O-N 3.27Å; L224-R227 PolarHBondContact O-N 3.32Å; R227-N231 WeakPolarHBondContact O-CB 3.36Å; R227-N231 VanDerWaalsContact O-CG 3.28Å; R227-N231 PolarHBondContact O-N 3.28Å; R227-N231 PolarHBondContact O-ND2 2.71Å
228L97.1Very high95.5Very high3 Ų344.8 Ų44.82%0.01624%0.241CC..Hα-helixtrans-61-47.1174.3-69.6172.7000110.7F40 F42 L224 L225 D226 A233 V235 L460F40-L228 HydrophobicContact CB-CD1 4.15Å; F40-L228 HydrophobicContact CD1-CD1 4.32Å; F40-L228 HydrophobicContact CD1-CD2 3.93Å; F40-L228 HydrophobicContact CD2-CD2 3.99Å; F40-L228 HydrophobicContact CE1-CD2 3.86Å; F40-L228 HydrophobicContact CE2-CD2 3.94Å; F40-L228 HydrophobicContact CG-CD1 4.15Å; F40-L228 HydrophobicContact CG-CD2 3.99Å; F40-L228 HydrophobicContact CZ-CD2 3.88Å; F42-L228 HydrophobicContact CE2-CD1 3.92Å; F42-L228 HydrophobicContact CZ-CD1 3.82Å; L224-L228 HydrophobicContact CD1-CD1 4.17Å; L224-L228 HydrophobicContact CD1-CG 4.23Å; L224-L228 HydrophobicContact CG-CD1 4.22Å; L224-L228 WeakPolarHBondContact O-CG 3.02Å; L224-L228 PolarHBondContact O-N 3.04Å; L225-L228 PolarHBondContact O-N 2.87Å; D226-L228 VanDerWaalsContact C-N 3.3Å; D226-L228 PolarHBondContact O-N 3.21Å; L228-A233 WeakPolarHBondContact O-CB 3.15Å; L228-A233 PolarHBondContact O-N 3.27Å; L228-V235 HydrophobicContact CB-CG2 3.66Å; L228-V235 HydrophobicContact CD1-CG2 4.16Å; L228-L460 HydrophobicContact CD2-CD1 4.2Å; L228-L460 HydrophobicContact CD2-CD2 3.86Å
229R94.6Very high95.6Very high64 Ų6443.1 Ų43.124%0.24223%0.232CC..Hα-helixtrans-74.1-40.3-177.6-64.6-174.873-150.32.7113.8L225 D226 N231 G232 A233 V235 S268 Y269 D271L225-R229 PolarHBondContact O-N 3.23Å; D226-R229 PolarHBondContact O-N 2.89Å; R229-N231 PolarHBondContact O-N 2.94Å; R229-G232 PolarHBondContact O-N 3.32Å; R229-A233 WeakPolarHBondContact CA-O 3.32Å; R229-V235 HydrophobicContact CG-CB 4.15Å; R229-V235 HydrophobicContact CG-CG2 3.58Å; R229-S268 PolarHBondContact NH1-O 3.42Å; R229-Y269 VanDerWaalsContact CD-O 3.25Å; R229-Y269 WeakPolarHBondContact CD-O 3.09Å; R229-D271 IonicContact CZ-OD1 3.86Å; R229-D271 IonicContact CZ-OD2 2.88Å; R229-D271 IonicContact NE-OD1 3.08Å; R229-D271 PolarHBondContact NE-OD1 3.06Å; R229-D271 IonicContact NE-OD2 3.59Å; R229-D271 PolarHBondContact NE-OD2 2.8Å; R229-D271 IonicContact NH2-OD1 3.28Å; R229-D271 PolarHBondContact NH2-OD1 3.39Å; R229-D271 IonicContact NH2-OD2 3.22Å
230V93.5Very high95.8Very high122 Ų12242.6 Ų42.674%0.73922%0.224SC*.Hα-helixtrans-59-33.3176.4167.90000111.3D226 G232D226-V230 WeakPolarHBondContact O-CB 3.29Å; D226-V230 VanDerWaalsContact O-CG2 3.28Å; D226-V230 WeakPolarHBondContact O-CG2 3.46Å; D226-V230 PolarHBondContact O-N 3.1Å; V230-G232 PolarHBondContact O-N 3.27Å
231N91.4Very high95.9Very high102 Ų10237.9 Ų37.955%0.54521%0.208SC..THydrogen-bonded Turntrans-83.312176.7-68.6-31.1000113.9R227 R229 L460R227-N231 WeakPolarHBondContact O-CB 3.36Å; R227-N231 VanDerWaalsContact O-CG 3.28Å; R227-N231 PolarHBondContact O-N 3.28Å; R227-N231 PolarHBondContact O-ND2 2.71Å; R229-N231 PolarHBondContact O-N 2.94Å; N231-L460 HydrophobicContact CB-CD1 3.45Å; N231-L460 VanDerWaalsContact CB-CD1 3.45Å; N231-L460 HydrophobicContact CB-CG 4.38Å
232G92.1Very high95.8Very high66 Ų6639.5 Ų39.568%0.6822%0.217SC*.THydrogen-bonded Turntrans87.7-2173.400000115.6R229 V230R229-G232 PolarHBondContact O-N 3.32Å; V230-G232 PolarHBondContact O-N 3.27Å
233A96.1Very high95.9Very high9 Ų939.7 Ų39.77%0.07422%0.216CC..  trans-77.5150.5174.800000111.3F40 L228 R229F40-A233 HydrophobicContact CD2-CB 3.66Å; F40-A233 HydrophobicContact CE2-CB 3.63Å; L228-A233 WeakPolarHBondContact O-CB 3.15Å; L228-A233 PolarHBondContact O-N 3.27Å; R229-A233 WeakPolarHBondContact CA-O 3.32Å
234K97.2Very high96Very high82 Ų8243.5 Ų43.536%0.35723%0.23SC..EExtended strand (participates in β ladder)trans-92.2139.3172.8-67.1-62.7-172.5-178.40110K38 F39 F40 D271K38-K234 PolarHBondContact O-N 3.31Å; F39-K234 CarbonylContact C-O 3.17Å; F39-K234 VanDerWaalsContact CA-O 3.31Å; F39-K234 WeakPolarHBondContact CA-O 3.32Å; F39-K234 HydrophobicContact CD1-CB 3.52Å; F39-K234 HydrophobicContact CD1-CG 4.22Å; F39-K234 HydrophobicContact CE1-CB 3.84Å; F39-K234 HydrophobicContact CE1-CG 4.02Å; F39-K234 HydrophobicContact CG-CB 4.43Å; F40-K234 PolarHBondContact N-O 3.09Å; K234-D271 WeakPolarHBondContact CA-OD2 3.44Å; K234-D271 HydrophobicContact CD-CB 3.93Å; K234-D271 WeakPolarHBondContact CD-OD1 3.41Å; K234-D271 IonicContact NZ-OD1 2.95Å; K234-D271 PolarHBondContact NZ-OD1 2.88Å
235V97.9Very high96Very high0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-118.8133.2-177.6-177.90000110F40 F42 L225 L228 R229 F270 D271 Y272F40-V235 CarbonylContact O-C 3.55Å; F40-V235 WeakPolarHBondContact O-CA 3.12Å; F42-V235 HydrophobicContact CD2-CG1 4.07Å; F42-V235 HydrophobicContact CE2-CG1 3.98Å; L225-V235 HydrophobicContact CD2-CG1 3.96Å; L228-V235 HydrophobicContact CB-CG2 3.66Å; L228-V235 HydrophobicContact CD1-CG2 4.16Å; R229-V235 HydrophobicContact CG-CB 4.15Å; R229-V235 HydrophobicContact CG-CG2 3.58Å; V235-F270 HydrophobicContact CG1-CD1 3.88Å; V235-F270 HydrophobicContact CG1-CE1 4.14Å; V235-D271 PolarHBondContact N-OD2 3.29Å; V235-D271 PolarHBondContact O-N 2.94Å; V235-Y272 PolarHBondContact O-N 3.36Å
236F98.2Very high96Very high0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-133.2148.9176.668.5-92.9000113.7F39 F40 G41 F42 L238 Y272 F322 V333 Y335 W353F39-F236 HydrophobicContact CB-CD1 4.32Å; F39-F236 HydrophobicContact CB-CE1 3.99Å; F40-F236 PolarHBondContact O-N 3.1Å; G41-F236 CarbonylContact C-O 3.41Å; G41-F236 VanDerWaalsContact CA-CE2 3.41Å; G41-F236 WeakPolarHBondContact CA-O 3.45Å; F42-F236 PolarHBondContact N-O 3.42Å; F236-L238 HydrophobicContact CD2-CB 4.15Å; F236-L238 HydrophobicContact CE2-CB 4.1Å; F236-L238 HydrophobicContact CE2-CD2 4.48Å; F236-Y272 CarbonylContact C-O 3.49Å; F236-Y272 WeakPolarHBondContact CA-O 3.4Å; F236-Y272 HydrophobicContact CB-CD2 4.21Å; F236-Y272 WeakPolarHBondContact CB-O 3.28Å; F236-F322 HydrophobicContact CB-CZ 4.05Å; F236-F322 HydrophobicContact CD1-CE1 4.28Å; F236-F322 HydrophobicContact CD1-CZ 4.3Å; F236-F322 AromaticContact CD2-CE1 3.86Å; F236-F322 HydrophobicContact CD2-CE1 3.86Å; F236-F322 AromaticContact CD2-CZ 3.77Å; F236-F322 HydrophobicContact CD2-CZ 3.77Å; F236-F322 HydrophobicContact CE1-CE1 4.25Å; F236-F322 AromaticContact CE2-CE1 3.82Å; F236-F322 HydrophobicContact CE2-CE1 3.82Å; F236-F322 HydrophobicContact CE2-CZ 4.23Å; F236-F322 HydrophobicContact CG-CE1 4.08Å; F236-F322 AromaticContact CG-CZ 3.8Å; F236-F322 HydrophobicContact CG-CZ 3.8Å; F236-F322 HydrophobicContact CZ-CE1 4.01Å; F236-V333 HydrophobicContact CE1-CG1 3.89Å; F236-V333 HydrophobicContact CZ-CG1 3.85Å; F236-Y335 HydrophobicContact CE2-CD2 4.14Å; F236-Y335 HydrophobicContact CE2-CE2 4.23Å; F236-Y335 HydrophobicContact CZ-CD2 4.28Å; F236-W353 HydrophobicContact CE2-CH2 4.1Å; F236-W353 HydrophobicContact CE2-CZ3 4.18Å; F236-W353 AromaticContact CZ-CH2 3.7Å; F236-W353 HydrophobicContact CZ-CH2 3.7Å; F236-W353 AromaticContact CZ-CZ3 3.8Å; F236-W353 HydrophobicContact CZ-CZ3 3.8Å
237L98.5Very high96.2Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-100.5133.7170.2-176.771.6000109.4M44 L48 T239 M250 W266 F270 Y272 I273 V274M44-L237 HydrophobicContact CB-CD1 4.01Å; L48-L237 HydrophobicContact CD1-CD1 3.64Å; L237-T239 HydrophobicContact CD2-CG2 4.35Å; L237-T239 HydrophobicContact CG-CG2 4.46Å; L237-M250 HydrophobicContact CD2-CG 4.44Å; L237-W266 HydrophobicContact CD2-CH2 4.32Å; L237-W266 HydrophobicContact CD2-CZ3 3.98Å; L237-F270 HydrophobicContact CB-CD1 3.85Å; L237-F270 HydrophobicContact CB-CE1 3.91Å; L237-F270 HydrophobicContact CB-CG 4.32Å; L237-F270 HydrophobicContact CB-CZ 4.43Å; L237-F270 HydrophobicContact CD1-CE1 4.48Å; L237-Y272 PolarHBondContact N-O 2.65Å; L237-I273 HydrophobicContact CB-CG2 4.33Å; L237-I273 HydrophobicContact CD2-CG2 4.14Å; L237-V274 PolarHBondContact O-N 2.94Å
238L97.9Very high96.3Very high0 Ų039.9 Ų39.90%022%0.222CC..EExtended strand (participates in β ladder)trans-139.2101.2176.3176.867.4000109.7F42 F236 V274 A277 K279 F282 F283 Y335 W353F42-L238 PolarHBondContact O-N 3.36Å; F236-L238 HydrophobicContact CD2-CB 4.15Å; F236-L238 HydrophobicContact CE2-CB 4.1Å; F236-L238 HydrophobicContact CE2-CD2 4.48Å; L238-V274 WeakPolarHBondContact CA-O 3.4Å; L238-V274 HydrophobicContact CD1-CB 3.71Å; L238-V274 HydrophobicContact CD1-CG1 3.71Å; L238-V274 HydrophobicContact CD1-CG2 4.45Å; L238-A277 HydrophobicContact CD1-CB 3.55Å; L238-A277 HydrophobicContact CG-CB 4.28Å; L238-K279 HydrophobicContact CG-CD 4.45Å; L238-K279 PolarHBondContact O-NZ 2.84Å; L238-F282 HydrophobicContact CD1-CD1 4.06Å; L238-F282 HydrophobicContact CD1-CD2 3.93Å; L238-F282 HydrophobicContact CD1-CE1 3.76Å; L238-F282 HydrophobicContact CD1-CE2 3.61Å; L238-F282 HydrophobicContact CD1-CG 4.14Å; L238-F282 HydrophobicContact CD1-CZ 3.52Å; L238-F282 HydrophobicContact CD2-CD1 3.65Å; L238-F282 HydrophobicContact CD2-CE1 3.41Å; L238-F282 VanDerWaalsContact CD2-CE1 3.41Å; L238-F282 HydrophobicContact CD2-CG 4.43Å; L238-F282 HydrophobicContact CD2-CZ 4.02Å; L238-F282 HydrophobicContact CG-CD1 4.42Å; L238-F282 HydrophobicContact CG-CE1 4.24Å; L238-F282 HydrophobicContact CG-CZ 4.44Å; L238-F283 HydrophobicContact CD2-CE1 4.3Å; L238-F283 HydrophobicContact CD2-CZ 3.85Å; L238-Y335 HydrophobicContact CB-CE2 3.98Å; L238-Y335 HydrophobicContact CD2-CE2 3.96Å; L238-Y335 HydrophobicContact CG-CE2 4.45Å; L238-Y335 PolarHBondContact O-OH 3.19Å; L238-W353 HydrophobicContact CD2-CZ3 4.45Å
239T97.8Very high96.4Very high0 Ų039.7 Ų39.70%022%0.221CC..  trans-131.2152.5-172.7-172.40000113.2D43 M44 L237 S241 V274 T275 D276 A277D43-T239 WeakPolarHBondContact OD1-CA 3.44Å; D43-T239 WeakPolarHBondContact OD1-CB 3.49Å; D43-T239 PolarHBondContact OD1-OG1 3.07Å; M44-T239 HydrophobicContact CB-CG2 4.25Å; L237-T239 HydrophobicContact CD2-CG2 4.35Å; L237-T239 HydrophobicContact CG-CG2 4.46Å; T239-S241 VanDerWaalsContact C-N 3.32Å; T239-S241 PolarHBondContact OG1-N 3.4Å; T239-V274 PolarHBondContact N-O 3.48Å; T239-T275 HydrophobicContact CG2-CG2 4.33Å; T239-T275 CarbonylContact O-C 3.59Å; T239-D276 PolarHBondContact O-N 2.79Å; T239-A277 VanDerWaalsContact O-CB 3.31Å; T239-A277 WeakPolarHBondContact O-CB 3.48Å; T239-A277 PolarHBondContact O-N 2.83Å
240N96.3Very high96.5Very high70 Ų7036.7 Ų36.737%0.37421%0.21SC..SBendtrans-80.4-14171.8-79.2-1000113R278 K279N240-R278 WeakPolarHBondContact OD1-CA 3.45Å; N240-R278 PolarHBondContact OD1-N 2.99Å; N240-K279 PolarHBondContact ND2-O 3.32Å; N240-K279 WeakPolarHBondContact OD1-CB 3.29Å; N240-K279 WeakPolarHBondContact OD1-CE 3.38Å; N240-K279 WeakPolarHBondContact OD1-CG 3.3Å; N240-K279 PolarHBondContact OD1-N 3.04Å
241S96.6Very high96.7Very high9 Ų933 Ų336%0.06319%0.19CC..SBendtrans-68.1146.9175.5-80.50000111.4D45 T239 Y245 S246 T275 D276D45-S241 PolarHBondContact OD2-OG 2.82Å; T239-S241 VanDerWaalsContact C-N 3.32Å; T239-S241 PolarHBondContact OG1-N 3.4Å; S241-Y245 WeakPolarHBondContact OG-CD1 3.12Å; S241-S246 WeakPolarHBondContact CB-OG 3.45Å; S241-T275 WeakPolarHBondContact O-CB 3.24Å; S241-D276 PolarHBondContact O-N 3.3Å
242D95.1Very high97Very high39 Ų3930.9 Ų30.921%0.20917%0.174CC..  trans-72.6166.4176.263.284.8000111.1K204 E244 Y245 S246K204-D242 IonicContact NZ-OD2 2.68Å; K204-D242 PolarHBondContact NZ-OD2 2.92Å; D242-E244 PolarHBondContact O-N 3.44Å; D242-E244 PolarHBondContact OD1-N 3.15Å; D242-E244 VanDerWaalsContact OD1-N 3.08Å; D242-Y245 PolarHBondContact OD1-N 3.28Å; D242-S246 VanDerWaalsContact O-CB 3.28Å; D242-S246 WeakPolarHBondContact O-CB 3.34Å; D242-S246 PolarHBondContact O-N 2.83Å; D242-S246 PolarHBondContact O-OG 2.89Å; D242-S246 VanDerWaalsContact O-OG 3.13Å
243F96.4Very high97.2Very high17 Ų1727.8 Ų27.88%0.07514%0.142CC..Hα-helixtrans-60-44.6-176.8164.9-108.5000113.7S246 H247 V292 Q294 G297 I313F243-S246 PolarHBondContact O-N 3.19Å; F243-H247 HydrophobicContact CD2-CB 4.27Å; F243-H247 HydrophobicContact CE2-CB 3.83Å; F243-H247 AromaticContact CE2-ND1 3.93Å; F243-H247 HydrophobicContact CZ-CB 4.11Å; F243-H247 AromaticContact CZ-ND1 4Å; F243-H247 WeakPolarHBondContact O-CB 3.48Å; F243-H247 PolarHBondContact O-N 3.48Å; F243-V292 HydrophobicContact CB-CG1 4.03Å; F243-V292 HydrophobicContact CD1-CG1 4.09Å; F243-V292 HydrophobicContact CD2-CG1 4.39Å; F243-V292 HydrophobicContact CG-CG1 3.88Å; F243-Q294 HydrophobicContact CZ-CB 4.33Å; F243-Q294 WeakPolarHBondContact CZ-O 3.49Å; F243-G297 VanDerWaalsContact CD1-CA 3.4Å; F243-I313 HydrophobicContact CD2-CD1 3.49Å; F243-I313 VanDerWaalsContact CD2-CD1 3.49Å; F243-I313 HydrophobicContact CD2-CG2 4.15Å; F243-I313 HydrophobicContact CE2-CD1 3.23Å; F243-I313 HydrophobicContact CZ-CD1 4.37Å
244E95.8Very high97.3Very high136 Ų13627.4 Ų27.464%0.63614%0.139SC*.Hα-helixtrans-64.5-47-174-65-177.117100110.5D242 H247 A248D242-E244 PolarHBondContact O-N 3.44Å; D242-E244 PolarHBondContact OD1-N 3.15Å; D242-E244 VanDerWaalsContact OD1-N 3.08Å; E244-H247 PolarHBondContact O-N 3.07Å; E244-A248 PolarHBondContact O-N 2.72Å; E244-A248 VanDerWaalsContact O-N 3.11Å
245Y97.4Very high97Very high7 Ų724.3 Ų24.33%0.02713%0.131CC..Hα-helixtrans-63.4-48.7176.2-173.5-107.3000111.6M44 Y51 K204 L208 S241 D242 H247 A248 I249M44-Y245 HydrophobicContact CE-CD1 3.84Å; M44-Y245 HydrophobicContact CE-CE1 3.88Å; Y51-Y245 PolarHBondContact OH-OH 3.13Å; K204-Y245 HydrophobicContact CB-CD2 3.55Å; K204-Y245 HydrophobicContact CB-CE2 3.71Å; K204-Y245 HydrophobicContact CB-CG 4.27Å; K204-Y245 HydrophobicContact CD-CD1 4.25Å; K204-Y245 HydrophobicContact CD-CD2 3.98Å; K204-Y245 HydrophobicContact CD-CG 3.82Å; K204-Y245 HydrophobicContact CG-CD1 4.28Å; K204-Y245 HydrophobicContact CG-CD2 3.62Å; K204-Y245 HydrophobicContact CG-CE1 4.38Å; K204-Y245 HydrophobicContact CG-CE2 3.73Å; K204-Y245 HydrophobicContact CG-CG 3.91Å; L208-Y245 HydrophobicContact CD1-CD2 4.01Å; L208-Y245 HydrophobicContact CD2-CD2 3.99Å; L208-Y245 HydrophobicContact CD2-CE2 3.93Å; L208-Y245 HydrophobicContact CG-CD2 3.94Å; L208-Y245 HydrophobicContact CG-CE2 4.04Å; S241-Y245 WeakPolarHBondContact OG-CD1 3.12Å; D242-Y245 PolarHBondContact OD1-N 3.28Å; Y245-H247 VanDerWaalsContact C-N 3.31Å; Y245-H247 PolarHBondContact O-N 3.08Å; Y245-A248 PolarHBondContact O-N 3.05Å; Y245-I249 HydrophobicContact CD1-CG1 4.14Å; Y245-I249 HydrophobicContact CD2-CG1 4.31Å; Y245-I249 HydrophobicContact CE1-CD1 4.38Å; Y245-I249 HydrophobicContact CE1-CG1 3.74Å; Y245-I249 HydrophobicContact CE2-CD1 4.05Å; Y245-I249 HydrophobicContact CE2-CG1 3.92Å; Y245-I249 HydrophobicContact CG-CG1 4.42Å; Y245-I249 WeakPolarHBondContact O-CG1 3.42Å; Y245-I249 PolarHBondContact O-N 3.39Å
246S97.8Very high96.6Very high0 Ų026.5 Ų26.50%014%0.142CC..Hα-helixtrans-60.7-40.3177.9-710000112.4M44 S241 D242 F243 A248 I249 M250M44-S246 PolarHBondContact SD-OG 3.05Å; M44-S246 VanDerWaalsContact SD-OG 3.41Å; S241-S246 WeakPolarHBondContact CB-OG 3.45Å; D242-S246 VanDerWaalsContact O-CB 3.28Å; D242-S246 WeakPolarHBondContact O-CB 3.34Å; D242-S246 PolarHBondContact O-N 2.83Å; D242-S246 PolarHBondContact O-OG 2.89Å; D242-S246 VanDerWaalsContact O-OG 3.13Å; F243-S246 PolarHBondContact O-N 3.19Å; S246-A248 PolarHBondContact O-N 3.31Å; S246-I249 PolarHBondContact O-N 3.09Å; S246-M250 WeakPolarHBondContact O-CB 3.41Å; S246-M250 WeakPolarHBondContact O-CG 3.46Å; S246-M250 PolarHBondContact O-N 2.95Å
247H97.3Very high96.1Very high80 Ų8030.4 Ų30.437%0.3717%0.168SC..Hα-helixtrans-61.3-45.2177.9-178.786.9000111.4F243 E244 Y245 S251 W266F243-H247 HydrophobicContact CD2-CB 4.27Å; F243-H247 HydrophobicContact CE2-CB 3.83Å; F243-H247 AromaticContact CE2-ND1 3.93Å; F243-H247 HydrophobicContact CZ-CB 4.11Å; F243-H247 AromaticContact CZ-ND1 4Å; F243-H247 WeakPolarHBondContact O-CB 3.48Å; F243-H247 PolarHBondContact O-N 3.48Å; E244-H247 PolarHBondContact O-N 3.07Å; Y245-H247 VanDerWaalsContact C-N 3.31Å; Y245-H247 PolarHBondContact O-N 3.08Å; H247-S251 WeakPolarHBondContact O-CB 3.19Å; H247-S251 PolarHBondContact O-N 2.73Å; H247-S251 PolarHBondContact O-OG 3.27Å; H247-W266 HydrophobicContact CB-CZ2 4.45Å; H247-W266 AromaticContact CE1-NE1 3.67Å; H247-W266 AromaticContact CG-NE1 3.74Å; H247-W266 AromaticContact ND1-NE1 3.08Å; H247-W266 PolarHBondContact ND1-NE1 2.87Å
248A97.6Very high95.3Very high31 Ų3135.2 Ų35.226%0.25619%0.186SC..Hα-helixtrans-66.6-46.9179.300000112.1L208 E244 Y245 S246 Y252L208-A248 HydrophobicContact CD1-CB 3.87Å; L208-A248 HydrophobicContact CD2-CB 3.53Å; L208-A248 HydrophobicContact CG-CB 4.33Å; E244-A248 PolarHBondContact O-N 2.72Å; E244-A248 VanDerWaalsContact O-N 3.11Å; Y245-A248 PolarHBondContact O-N 3.05Å; S246-A248 PolarHBondContact O-N 3.31Å; A248-Y252 PolarHBondContact O-N 3.12Å
249I98.4Very high94.7Very high0 Ų042.2 Ų42.20%023%0.232CC..Hα-helixtrans-65-44.1179.1-65.2-67.2000111.8M44 A49 T207 L208 I211 V215 Y245 S246 Y252 I253M44-I249 HydrophobicContact CE-CB 4.36Å; M44-I249 HydrophobicContact CE-CG2 4.36Å; M44-I249 HydrophobicContact CG-CG2 4.44Å; M44-I249 HydrophobicContact SD-CB 4.22Å; M44-I249 HydrophobicContact SD-CG2 4.11Å; A49-I249 HydrophobicContact CB-CG2 3.51Å; T207-I249 HydrophobicContact CG2-CD1 4.45Å; L208-I249 HydrophobicContact CD2-CD1 3.98Å; L208-I249 HydrophobicContact CD2-CG1 4.24Å; I211-I249 HydrophobicContact CD1-CD1 3.98Å; I211-I249 HydrophobicContact CG1-CD1 4.4Å; V215-I249 HydrophobicContact CG2-CD1 3.87Å; Y245-I249 HydrophobicContact CD1-CG1 4.14Å; Y245-I249 HydrophobicContact CD2-CG1 4.31Å; Y245-I249 HydrophobicContact CE1-CD1 4.38Å; Y245-I249 HydrophobicContact CE1-CG1 3.74Å; Y245-I249 HydrophobicContact CE2-CD1 4.05Å; Y245-I249 HydrophobicContact CE2-CG1 3.92Å; Y245-I249 HydrophobicContact CG-CG1 4.42Å; Y245-I249 WeakPolarHBondContact O-CG1 3.42Å; Y245-I249 PolarHBondContact O-N 3.39Å; S246-I249 PolarHBondContact O-N 3.09Å; I249-Y252 CarbonylContact O-C 3.4Å; I249-Y252 WeakPolarHBondContact O-CA 3.49Å; I249-Y252 PolarHBondContact O-N 2.72Å; I249-I253 PolarHBondContact O-N 3.1Å
250M98Very high94.3Very high0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-71.6-38.4-178.3-67.2-56.4-62.300112.2M44 L48 L237 S246 Y252 I253 L254 W266 F270M44-M250 HydrophobicContact CG-CG 4.46Å; M44-M250 HydrophobicContact CG-SD 3.8Å; M44-M250 HydrophobicContact SD-CG 3.91Å; M44-M250 HydrophobicContact SD-SD 4.03Å; L48-M250 HydrophobicContact CD1-CE 4.24Å; L237-M250 HydrophobicContact CD2-CG 4.44Å; S246-M250 WeakPolarHBondContact O-CB 3.41Å; S246-M250 WeakPolarHBondContact O-CG 3.46Å; S246-M250 PolarHBondContact O-N 2.95Å; M250-Y252 PolarHBondContact O-N 2.77Å; M250-I253 HydrophobicContact CE-CD1 4.26Å; M250-I253 PolarHBondContact O-N 3.17Å; M250-I253 HydrophobicContact SD-CD1 3.71Å; M250-I253 HydrophobicContact SD-CG1 4.32Å; M250-L254 HydrophobicContact CE-CD1 3.43Å; M250-L254 VanDerWaalsContact CE-CD1 3.43Å; M250-L254 HydrophobicContact CE-CG 4.04Å; M250-L254 WeakPolarHBondContact O-CB 3.36Å; M250-L254 PolarHBondContact O-N 3.16Å; M250-W266 HydrophobicContact CB-CB 4.07Å; M250-W266 HydrophobicContact CB-CD2 3.35Å; M250-W266 HydrophobicContact CB-CE3 3.46Å; M250-W266 VanDerWaalsContact CB-CE3 3.46Å; M250-W266 HydrophobicContact CB-CG 3.64Å; M250-W266 HydrophobicContact CB-CH2 4.44Å; M250-W266 HydrophobicContact CB-CZ2 4.38Å; M250-W266 HydrophobicContact CB-CZ3 4.03Å; M250-W266 HydrophobicContact CE-CE3 4.22Å; M250-W266 HydrophobicContact CG-CD2 4.18Å; M250-W266 HydrophobicContact CG-CE3 3.83Å; M250-W266 HydrophobicContact CG-CH2 4.34Å; M250-W266 HydrophobicContact CG-CZ3 3.91Å; M250-F270 HydrophobicContact CE-CE2 3.54Å; M250-F270 HydrophobicContact CE-CZ 3.52Å
251S96.8Very high93.9Very high46 Ų4646.8 Ų46.832%0.32227%0.269SS..Hα-helixtrans-60.7-39.1168.8-58.40000110.9H247 G255H247-S251 WeakPolarHBondContact O-CB 3.19Å; H247-S251 PolarHBondContact O-N 2.73Å; H247-S251 PolarHBondContact O-OG 3.27Å; S251-G255 WeakPolarHBondContact O-CA 3.24Å; S251-G255 PolarHBondContact O-N 3.28Å
252Y97.3Very high93.6Very high56 Ų5649.5 Ų49.522%0.2229%0.285CS..Hα-helixtrans-35.2-79.7161.4174.7-25.9000114.7I211 S212 V215 R217 A248 I249 M250I211-Y252 HydrophobicContact CD1-CD1 3.63Å; I211-Y252 HydrophobicContact CD1-CD2 4.3Å; I211-Y252 HydrophobicContact CD1-CE1 4.42Å; I211-Y252 HydrophobicContact CD1-CG 3.61Å; I211-Y252 HydrophobicContact CG1-CD1 3.67Å; I211-Y252 HydrophobicContact CG1-CD2 4.36Å; I211-Y252 HydrophobicContact CG1-CE1 3.95Å; I211-Y252 HydrophobicContact CG1-CG 3.94Å; I211-Y252 HydrophobicContact CG2-CD2 3.68Å; I211-Y252 HydrophobicContact CG2-CE2 3.78Å; I211-Y252 HydrophobicContact CG2-CG 4.1Å; S212-Y252 VanDerWaalsContact CA-OH 3.22Å; S212-Y252 WeakPolarHBondContact CA-OH 3.5Å; S212-Y252 WeakPolarHBondContact CB-OH 3.43Å; V215-Y252 HydrophobicContact CB-CD1 4.46Å; V215-Y252 HydrophobicContact CB-CE1 3.98Å; V215-Y252 HydrophobicContact CG1-CD1 4.37Å; V215-Y252 HydrophobicContact CG1-CE1 4.16Å; R217-Y252 WeakPolarHBondContact CD-OH 2.95Å; R217-Y252 HydrophobicContact CG-CD1 4.06Å; R217-Y252 HydrophobicContact CG-CE1 3.39Å; R217-Y252 HydrophobicContact CG-CE2 4.47Å; R217-Y252 PolarHBondContact NE-O 3.08Å; R217-Y252 PolarHBondContact NH2-O 3.2Å; A248-Y252 PolarHBondContact O-N 3.12Å; I249-Y252 CarbonylContact O-C 3.4Å; I249-Y252 WeakPolarHBondContact O-CA 3.49Å; I249-Y252 PolarHBondContact O-N 2.72Å; M250-Y252 PolarHBondContact O-N 2.77Å
253I97.3Very high93.3Very high1 Ų153.3 Ų53.31%0.00530%0.304CS..Hα-helixtrans-80.8-22.1-165.168.9-173.3000112.8L48 A49 V215 L221 I249 M250L48-I253 HydrophobicContact CB-CD1 4.34Å; A49-I253 HydrophobicContact CB-CD1 3.97Å; V215-I253 HydrophobicContact CG1-CG2 3.57Å; L221-I253 HydrophobicContact CD2-CB 4.45Å; L221-I253 HydrophobicContact CD2-CD1 3.85Å; L221-I253 HydrophobicContact CD2-CG1 4.05Å; I249-I253 PolarHBondContact O-N 3.1Å; M250-I253 HydrophobicContact CE-CD1 4.26Å; M250-I253 PolarHBondContact O-N 3.17Å; M250-I253 HydrophobicContact SD-CD1 3.71Å; M250-I253 HydrophobicContact SD-CG1 4.32Å
254L96.6Very high93.2Very high1 Ų154.2 Ų54.21%0.00531%0.307CS..Hα-helixtrans-106.22.1178.5-55.9-176000113.9L221 L225 M250 D256 W266 Y269 F270L221-L254 HydrophobicContact CB-CD2 4.37Å; L221-L254 HydrophobicContact CD2-CD2 3.75Å; L221-L254 HydrophobicContact CG-CD2 3.84Å; L225-L254 HydrophobicContact CD1-CD1 3.79Å; L225-L254 HydrophobicContact CD1-CD2 3.85Å; M250-L254 HydrophobicContact CE-CD1 3.43Å; M250-L254 VanDerWaalsContact CE-CD1 3.43Å; M250-L254 HydrophobicContact CE-CG 4.04Å; M250-L254 WeakPolarHBondContact O-CB 3.36Å; M250-L254 PolarHBondContact O-N 3.16Å; L254-D256 PolarHBondContact O-N 3.32Å; L254-W266 HydrophobicContact CB-CB 4.25Å; L254-W266 HydrophobicContact CD1-CB 4.28Å; L254-Y269 HydrophobicContact CB-CD2 4.09Å; L254-Y269 HydrophobicContact CB-CE2 3.79Å; L254-Y269 HydrophobicContact CD1-CD2 3.55Å; L254-Y269 HydrophobicContact CD1-CE2 4.1Å; L254-Y269 HydrophobicContact CD1-CG 3.94Å; L254-Y269 HydrophobicContact CG-CD2 4.35Å; L254-Y269 HydrophobicContact CG-CE2 4.43Å; L254-F270 HydrophobicContact CD1-CE2 3.96Å; L254-F270 HydrophobicContact CD1-CZ 4.38Å
255G93Very high93.1Very high18 Ų1855.7 Ų55.719%0.18631%0.312CS..  trans-81.216-175.800000115.9S251S251-G255 WeakPolarHBondContact O-CA 3.24Å; S251-G255 PolarHBondContact O-N 3.28Å
256D88.1Confident93Very high45 Ų4555.7 Ų55.724%0.24131%0.312CS..PPolyproline II helixtrans-63.8132177.2-84.7-24.2000110.5R217 L254 R258R217-D256 IonicContact CZ-OD1 3.18Å; R217-D256 IonicContact NH1-OD1 2.69Å; R217-D256 PolarHBondContact NH1-OD1 3.36Å; R217-D256 VanDerWaalsContact NH2-N 3.13Å; R217-D256 IonicContact NH2-OD1 3.67Å; R217-D256 PolarHBondContact NH2-OD1 3.39Å; R217-D256 IonicContact NH2-OD2 3.57Å; L254-D256 PolarHBondContact O-N 3.32Å; D256-R258 PolarHBondContact O-N 3.29Å
257P87.1Confident93Very high83 Ų8356.3 Ų56.354%0.53932%0.315SS..PPolyproline II helixtrans-58.5135.4173.6-22.132.6000110.5
258R83.6Confident92.8Very high100 Ų10054.2 Ų54.238%0.37731%0.31SS..PPolyproline II helixtrans-66.1165.9169.9-75.2175.7169.5-176.8-4110.4D256 D260 G261 T262D256-R258 PolarHBondContact O-N 3.29Å; R258-D260 WeakPolarHBondContact CB-OD1 3.43Å; R258-D260 PolarHBondContact O-N 3.03Å; R258-G261 WeakPolarHBondContact O-CA 3.36Å; R258-G261 PolarHBondContact O-N 3.45Å; R258-T262 WeakPolarHBondContact CB-O 3.42Å; R258-T262 PolarHBondContact N-O 3.39Å
259P84.2Confident92.8Very high148 Ų14853 Ų5396%0.96130%0.299SS*.THydrogen-bonded Turntrans-54.9-24.1176.4-27.535.8000114.6G261P259-G261 VanDerWaalsContact C-N 3.31Å
260D88.8Confident92.7Very high110 Ų11053 Ų5359%0.58830%0.299SS*.THydrogen-bonded Turntrans-85.63.2175.8647.7000114R258 T262R258-D260 WeakPolarHBondContact CB-OD1 3.43Å; R258-D260 PolarHBondContact O-N 3.03Å; D260-T262 VanDerWaalsContact C-N 3.27Å; D260-T262 VanDerWaalsContact CG-OG1 3.3Å; D260-T262 PolarHBondContact O-N 3.41Å; D260-T262 WeakPolarHBondContact OD1-CB 3.28Å; D260-T262 WeakPolarHBondContact OD1-CG2 3.49Å; D260-T262 PolarHBondContact OD1-N 2.86Å; D260-T262 PolarHBondContact OD1-OG1 3.23Å; D260-T262 PolarHBondContact OD2-OG1 3.01Å
261G88.9Confident92.7Very high55 Ų5553.1 Ų53.157%0.56730%0.299SS*.SBendtrans80.6-3.7-177.400000114.8R258 P259R258-G261 WeakPolarHBondContact O-CA 3.36Å; R258-G261 PolarHBondContact O-N 3.45Å; P259-G261 VanDerWaalsContact C-N 3.31Å
262T90.7Very high92.7Very high66 Ų6652.4 Ų52.441%0.40529%0.29SS..PPolyproline II helixtrans-79.5142.6-179.867.30000111.8R258 D260R258-T262 WeakPolarHBondContact CB-O 3.42Å; R258-T262 PolarHBondContact N-O 3.39Å; D260-T262 VanDerWaalsContact C-N 3.27Å; D260-T262 VanDerWaalsContact CG-OG1 3.3Å; D260-T262 PolarHBondContact O-N 3.41Å; D260-T262 WeakPolarHBondContact OD1-CB 3.28Å; D260-T262 WeakPolarHBondContact OD1-CG2 3.49Å; D260-T262 PolarHBondContact OD1-N 2.86Å; D260-T262 PolarHBondContact OD1-OG1 3.23Å; D260-T262 PolarHBondContact OD2-OG1 3.01Å
263I89Confident92.8Very high119 Ų11949.8 Ų49.861%0.6128%0.279SS*.PPolyproline II helixtrans-97.9118.3173-58.6174.9000108.1
264R92.5Very high92.8Very high36 Ų3649.7 Ų49.714%0.13628%0.279CS..PPolyproline II helixtrans-77134.7177-169.2-157.2-174.1154.4-11.7109.8D226 W266 S268 Y269D226-R264 VanDerWaalsContact CG-NH1 3.3Å; D226-R264 IonicContact OD1-CZ 2.96Å; D226-R264 IonicContact OD1-NH1 2.73Å; D226-R264 PolarHBondContact OD1-NH1 3.17Å; D226-R264 IonicContact OD1-NH2 3.49Å; D226-R264 PolarHBondContact OD1-NH2 3.41Å; D226-R264 IonicContact OD2-NH1 3.41Å; D226-R264 PolarHBondContact OD2-NH1 3.3Å; R264-W266 PolarHBondContact O-N 3.46Å; R264-S268 WeakPolarHBondContact CD-OG 3.47Å; R264-S268 VanDerWaalsContact CG-OG 3.24Å; R264-S268 WeakPolarHBondContact CG-OG 3.35Å; R264-S268 PolarHBondContact NE-OG 3.33Å; R264-S268 PolarHBondContact NH2-O 3.23Å; R264-Y269 HydrophobicContact CB-CE2 4.41Å; R264-Y269 HydrophobicContact CG-CE2 4.35Å
265K94.1Very high92.9Very high168 Ų16849.7 Ų49.773%0.7328%0.279SS*.PPolyproline II helixtrans-58.6128.2170-67-172.6177.4-1730110.4T267 S268K265-T267 PolarHBondContact O-N 3.42Å; K265-S268 WeakPolarHBondContact O-CB 3.49Å; K265-S268 PolarHBondContact O-N 3.01Å; K265-S268 VanDerWaalsContact O-N 3.08Å; K265-S268 PolarHBondContact O-OG 2.83Å
266W96.1Very high93Very high7 Ų751.8 Ų51.83%0.02729%0.286CS..G310 helixtrans-59.6-34.5-175.675.2-96.9000112.7L237 H247 M250 L254 R264 S268 Y269 F270 I273 I313L237-W266 HydrophobicContact CD2-CH2 4.32Å; L237-W266 HydrophobicContact CD2-CZ3 3.98Å; H247-W266 HydrophobicContact CB-CZ2 4.45Å; H247-W266 AromaticContact CE1-NE1 3.67Å; H247-W266 AromaticContact CG-NE1 3.74Å; H247-W266 AromaticContact ND1-NE1 3.08Å; H247-W266 PolarHBondContact ND1-NE1 2.87Å; M250-W266 HydrophobicContact CB-CB 4.07Å; M250-W266 HydrophobicContact CB-CD2 3.35Å; M250-W266 HydrophobicContact CB-CE3 3.46Å; M250-W266 VanDerWaalsContact CB-CE3 3.46Å; M250-W266 HydrophobicContact CB-CG 3.64Å; M250-W266 HydrophobicContact CB-CH2 4.44Å; M250-W266 HydrophobicContact CB-CZ2 4.38Å; M250-W266 HydrophobicContact CB-CZ3 4.03Å; M250-W266 HydrophobicContact CE-CE3 4.22Å; M250-W266 HydrophobicContact CG-CD2 4.18Å; M250-W266 HydrophobicContact CG-CE3 3.83Å; M250-W266 HydrophobicContact CG-CH2 4.34Å; M250-W266 HydrophobicContact CG-CZ3 3.91Å; L254-W266 HydrophobicContact CB-CB 4.25Å; L254-W266 HydrophobicContact CD1-CB 4.28Å; R264-W266 PolarHBondContact O-N 3.46Å; W266-S268 PolarHBondContact O-N 3.37Å; W266-S268 VanDerWaalsContact O-N 3.15Å; W266-Y269 WeakPolarHBondContact O-CB 3.45Å; W266-Y269 WeakPolarHBondContact O-CD2 3.22Å; W266-Y269 PolarHBondContact O-N 2.97Å; W266-F270 HydrophobicContact CE3-CD2 4.05Å; W266-F270 AromaticContact CE3-CE2 3.93Å; W266-F270 HydrophobicContact CE3-CE2 3.93Å; W266-F270 HydrophobicContact CZ3-CD2 4.14Å; W266-F270 HydrophobicContact CZ3-CE2 4.19Å; W266-I273 HydrophobicContact CH2-CD1 4.05Å; W266-I273 HydrophobicContact CH2-CG2 3.87Å; W266-I273 HydrophobicContact CZ3-CD1 3.82Å; W266-I273 HydrophobicContact CZ3-CG1 4.46Å; W266-I273 HydrophobicContact CZ3-CG2 4.18Å; W266-I313 HydrophobicContact CH2-CD1 4.23Å; W266-I313 HydrophobicContact CZ2-CD1 3.96Å
267T96.6Very high93.5Very high12 Ų1249.7 Ų49.77%0.07428%0.275CS..G310 helixtrans-58.8-30.1179.453.30000112.3K265 Y269 F270 I273 I313K265-T267 PolarHBondContact O-N 3.42Å; T267-Y269 PolarHBondContact O-N 2.82Å; T267-F270 PolarHBondContact O-N 3.07Å; T267-F270 VanDerWaalsContact O-N 3.14Å; T267-I273 HydrophobicContact CG2-CD1 3.81Å; T267-I313 HydrophobicContact CG2-CD1 3.88Å; T267-I313 HydrophobicContact CG2-CG1 4.25Å
268S95.1Very high93.8Very high37 Ų3753.6 Ų53.626%0.25928%0.279SS..G310 helixtrans-74.3-4.7-18072.80000114.4R229 R264 K265 W266 F270R229-S268 PolarHBondContact NH1-O 3.42Å; R264-S268 WeakPolarHBondContact CD-OG 3.47Å; R264-S268 VanDerWaalsContact CG-OG 3.24Å; R264-S268 WeakPolarHBondContact CG-OG 3.35Å; R264-S268 PolarHBondContact NE-OG 3.33Å; R264-S268 PolarHBondContact NH2-O 3.23Å; K265-S268 WeakPolarHBondContact O-CB 3.49Å; K265-S268 PolarHBondContact O-N 3.01Å; K265-S268 VanDerWaalsContact O-N 3.08Å; K265-S268 PolarHBondContact O-OG 2.83Å; W266-S268 PolarHBondContact O-N 3.37Å; W266-S268 VanDerWaalsContact O-N 3.15Å; S268-F270 VanDerWaalsContact C-N 3.27Å
269Y95.9Very high94.3Very high6 Ų649.6 Ų49.62%0.02426%0.264CS..G310 helixtrans-77.9-13.5168.6-73.7-82.3000112.7C222 L225 R229 L254 R264 W266 T267C222-Y269 HydrophobicContact CB-CE1 4.05Å; L225-Y269 HydrophobicContact CB-CD1 3.92Å; L225-Y269 HydrophobicContact CD1-CD1 4.25Å; L225-Y269 HydrophobicContact CD1-CG 4.23Å; R229-Y269 VanDerWaalsContact CD-O 3.25Å; R229-Y269 WeakPolarHBondContact CD-O 3.09Å; L254-Y269 HydrophobicContact CB-CD2 4.09Å; L254-Y269 HydrophobicContact CB-CE2 3.79Å; L254-Y269 HydrophobicContact CD1-CD2 3.55Å; L254-Y269 HydrophobicContact CD1-CE2 4.1Å; L254-Y269 HydrophobicContact CD1-CG 3.94Å; L254-Y269 HydrophobicContact CG-CD2 4.35Å; L254-Y269 HydrophobicContact CG-CE2 4.43Å; R264-Y269 HydrophobicContact CB-CE2 4.41Å; R264-Y269 HydrophobicContact CG-CE2 4.35Å; W266-Y269 WeakPolarHBondContact O-CB 3.45Å; W266-Y269 WeakPolarHBondContact O-CD2 3.22Å; W266-Y269 PolarHBondContact O-N 2.97Å; T267-Y269 PolarHBondContact O-N 2.82Å
270F97.5Very high94.8Very high0 Ų044.5 Ų44.50%023%0.231CC..  trans-118.4141.1-174.4-58.1-86000110.7L48 L225 V235 L237 M250 L254 W266 T267 S268 I273L48-F270 HydrophobicContact CD1-CE1 4.12Å; L48-F270 HydrophobicContact CD1-CZ 3.95Å; L225-F270 HydrophobicContact CD1-CZ 4Å; L225-F270 HydrophobicContact CD2-CE1 4.27Å; L225-F270 HydrophobicContact CD2-CZ 4.46Å; V235-F270 HydrophobicContact CG1-CD1 3.88Å; V235-F270 HydrophobicContact CG1-CE1 4.14Å; L237-F270 HydrophobicContact CB-CD1 3.85Å; L237-F270 HydrophobicContact CB-CE1 3.91Å; L237-F270 HydrophobicContact CB-CG 4.32Å; L237-F270 HydrophobicContact CB-CZ 4.43Å; L237-F270 HydrophobicContact CD1-CE1 4.48Å; M250-F270 HydrophobicContact CE-CE2 3.54Å; M250-F270 HydrophobicContact CE-CZ 3.52Å; L254-F270 HydrophobicContact CD1-CE2 3.96Å; L254-F270 HydrophobicContact CD1-CZ 4.38Å; W266-F270 HydrophobicContact CE3-CD2 4.05Å; W266-F270 AromaticContact CE3-CE2 3.93Å; W266-F270 HydrophobicContact CE3-CE2 3.93Å; W266-F270 HydrophobicContact CZ3-CD2 4.14Å; W266-F270 HydrophobicContact CZ3-CE2 4.19Å; T267-F270 PolarHBondContact O-N 3.07Å; T267-F270 VanDerWaalsContact O-N 3.14Å; S268-F270 VanDerWaalsContact C-N 3.27Å; F270-I273 HydrophobicContact CB-CD1 4.1Å; F270-I273 HydrophobicContact CB-CG1 3.62Å; F270-I273 HydrophobicContact CD2-CD1 4.45Å; F270-I273 HydrophobicContact CD2-CG1 4.46Å; F270-I273 HydrophobicContact CG-CG1 4.18Å
271D97.3Very high95Very high1 Ų140.2 Ų40.21%0.00521%0.211CC..SBendtrans-77.7-33.8167.8-62.8-85.3000110.7R229 K234 V235 T310R229-D271 IonicContact CZ-OD1 3.86Å; R229-D271 IonicContact CZ-OD2 2.88Å; R229-D271 IonicContact NE-OD1 3.08Å; R229-D271 PolarHBondContact NE-OD1 3.06Å; R229-D271 IonicContact NE-OD2 3.59Å; R229-D271 PolarHBondContact NE-OD2 2.8Å; R229-D271 IonicContact NH2-OD1 3.28Å; R229-D271 PolarHBondContact NH2-OD1 3.39Å; R229-D271 IonicContact NH2-OD2 3.22Å; K234-D271 WeakPolarHBondContact CA-OD2 3.44Å; K234-D271 HydrophobicContact CD-CB 3.93Å; K234-D271 WeakPolarHBondContact CD-OD1 3.41Å; K234-D271 IonicContact NZ-OD1 2.95Å; K234-D271 PolarHBondContact NZ-OD1 2.88Å; V235-D271 PolarHBondContact N-OD2 3.29Å; V235-D271 PolarHBondContact O-N 2.94Å; D271-T310 VanDerWaalsContact O-CA 3.32Å; D271-T310 WeakPolarHBondContact O-CA 3.27Å
272Y97.5Very high95.3Very high32 Ų3237.6 Ų37.613%0.12518%0.184CC..EExtended strand (participates in β ladder)trans-140.2142.9177.8-44-65.8000111.5F39 V235 F236 L237 L308 F322 I326F39-Y272 HydrophobicContact CD1-CE2 4.5Å; F39-Y272 HydrophobicContact CE1-CE2 4.29Å; V235-Y272 PolarHBondContact O-N 3.36Å; F236-Y272 CarbonylContact C-O 3.49Å; F236-Y272 WeakPolarHBondContact CA-O 3.4Å; F236-Y272 HydrophobicContact CB-CD2 4.21Å; F236-Y272 WeakPolarHBondContact CB-O 3.28Å; L237-Y272 PolarHBondContact N-O 2.65Å; Y272-L308 HydrophobicContact CD1-CB 3.51Å; Y272-L308 HydrophobicContact CD1-CD1 4.04Å; Y272-L308 HydrophobicContact CD1-CG 4.42Å; Y272-L308 HydrophobicContact CE1-CB 3.75Å; Y272-L308 HydrophobicContact CG-CD1 4.34Å; Y272-F322 HydrophobicContact CD2-CZ 4.46Å; Y272-I326 HydrophobicContact CD1-CG2 4.12Å; Y272-I326 HydrophobicContact CD2-CB 4.31Å; Y272-I326 HydrophobicContact CD2-CG2 3.58Å; Y272-I326 HydrophobicContact CE1-CG2 4.02Å; Y272-I326 HydrophobicContact CE2-CB 3.77Å; Y272-I326 HydrophobicContact CE2-CG2 3.45Å; Y272-I326 VanDerWaalsContact CE2-CG2 3.45Å; Y272-I326 HydrophobicContact CG-CG2 3.92Å
273I98.3Very high95.4Very high0 Ų034.5 Ų34.50%017%0.165CC..EExtended strand (participates in β ladder)trans-135.1120.1-176.8-55.8170.7000109.2L237 W266 T267 F270 T275 I313 Y314L237-I273 HydrophobicContact CB-CG2 4.33Å; L237-I273 HydrophobicContact CD2-CG2 4.14Å; W266-I273 HydrophobicContact CH2-CD1 4.05Å; W266-I273 HydrophobicContact CH2-CG2 3.87Å; W266-I273 HydrophobicContact CZ3-CD1 3.82Å; W266-I273 HydrophobicContact CZ3-CG1 4.46Å; W266-I273 HydrophobicContact CZ3-CG2 4.18Å; T267-I273 HydrophobicContact CG2-CD1 3.81Å; F270-I273 HydrophobicContact CB-CD1 4.1Å; F270-I273 HydrophobicContact CB-CG1 3.62Å; F270-I273 HydrophobicContact CD2-CD1 4.45Å; F270-I273 HydrophobicContact CD2-CG1 4.46Å; F270-I273 HydrophobicContact CG-CG1 4.18Å; I273-T275 HydrophobicContact CG2-CG2 4.45Å; I273-I313 HydrophobicContact CB-CG1 4.27Å; I273-I313 HydrophobicContact CD1-CG1 4.1Å; I273-I313 HydrophobicContact CG2-CB 4.48Å; I273-I313 HydrophobicContact CG2-CG1 4.09Å; I273-I313 HydrophobicContact CG2-CG2 4.1Å; I273-Y314 WeakPolarHBondContact O-CD2 3.35Å; I273-Y314 PolarHBondContact O-N 2.59Å
274V98.1Very high95.4Very high0 Ų032.7 Ų32.70%015%0.154CC..EExtended strand (participates in β ladder)trans-123.4116.4176.4-176.20000109.5L237 L238 T239 A277 F282 Y314 G316 F322L237-V274 PolarHBondContact O-N 2.94Å; L238-V274 WeakPolarHBondContact CA-O 3.4Å; L238-V274 HydrophobicContact CD1-CB 3.71Å; L238-V274 HydrophobicContact CD1-CG1 3.71Å; L238-V274 HydrophobicContact CD1-CG2 4.45Å; T239-V274 PolarHBondContact N-O 3.48Å; V274-A277 HydrophobicContact CG1-CB 4.38Å; V274-F282 HydrophobicContact CG1-CE2 4.22Å; V274-Y314 CarbonylContact C-O 3.24Å; V274-Y314 VanDerWaalsContact CA-O 3.32Å; V274-Y314 WeakPolarHBondContact CA-O 3.47Å; V274-G316 WeakPolarHBondContact CG1-O 3.4Å; V274-F322 HydrophobicContact CG2-CD2 3.91Å; V274-F322 HydrophobicContact CG2-CE2 3.74Å
275T97.9Very high95.4Very high1 Ų138 Ų381%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-102.4170.117362.20000110.3T239 S241 I273 A277 I313 Y314 S315 G316T239-T275 HydrophobicContact CG2-CG2 4.33Å; T239-T275 CarbonylContact O-C 3.59Å; S241-T275 WeakPolarHBondContact O-CB 3.24Å; I273-T275 HydrophobicContact CG2-CG2 4.45Å; T275-A277 PolarHBondContact O-N 3.26Å; T275-I313 HydrophobicContact CG2-CG2 4Å; T275-Y314 PolarHBondContact N-O 3.15Å; T275-Y314 PolarHBondContact OG1-O 2.91Å; T275-S315 CarbonylContact O-C 3.6Å; T275-S315 VanDerWaalsContact O-CA 3.27Å; T275-S315 WeakPolarHBondContact O-CA 3.24Å; T275-G316 PolarHBondContact O-N 2.85Å
276D96.5Very high95.3Very high62 Ų6230.7 Ų30.733%0.33215%0.152SC..SBendtrans47.637.2179.6-86.7-44000113.6T239 S241 R278 S315 G316T239-D276 PolarHBondContact O-N 2.79Å; S241-D276 PolarHBondContact O-N 3.3Å; D276-R278 WeakPolarHBondContact O-CG 3.37Å; D276-R278 PolarHBondContact O-N 2.78Å; D276-R278 VanDerWaalsContact O-N 3.12Å; D276-S315 WeakPolarHBondContact CB-OG 3.44Å; D276-G316 WeakPolarHBondContact O-CA 3.43Å
277A96.8Very high95.2Very high0 Ų032.7 Ų32.70%017%0.165CC..  trans-63.9-23.3-171.500000113.5L238 T239 V274 T275 K279 F282L238-A277 HydrophobicContact CD1-CB 3.55Å; L238-A277 HydrophobicContact CG-CB 4.28Å; T239-A277 VanDerWaalsContact O-CB 3.31Å; T239-A277 WeakPolarHBondContact O-CB 3.48Å; T239-A277 PolarHBondContact O-N 2.83Å; V274-A277 HydrophobicContact CG1-CB 4.38Å; T275-A277 PolarHBondContact O-N 3.26Å; A277-K279 VanDerWaalsContact C-N 3.32Å; A277-K279 HydrophobicContact CB-CG 4.17Å; A277-K279 PolarHBondContact O-N 2.87Å; A277-F282 HydrophobicContact CB-CB 4.34Å; A277-F282 HydrophobicContact CB-CD2 4Å; A277-F282 HydrophobicContact CB-CG 4.29Å; A277-F282 WeakPolarHBondContact O-CB 3.49Å
278R94.5Very high95.1Very high166 Ų16635 Ų3563%0.62618%0.177SC*.  trans57.237.4-175.4-54.9-168.4-179.4-171.9-5.3113.9N240 D276 A281N240-R278 WeakPolarHBondContact OD1-CA 3.45Å; N240-R278 PolarHBondContact OD1-N 2.99Å; D276-R278 WeakPolarHBondContact O-CG 3.37Å; D276-R278 PolarHBondContact O-N 2.78Å; D276-R278 VanDerWaalsContact O-N 3.12Å; R278-A281 HydrophobicContact CB-CB 4.49Å; R278-A281 WeakPolarHBondContact O-CA 3.46Å; R278-A281 WeakPolarHBondContact O-CB 3.43Å; R278-A281 PolarHBondContact O-N 3.38Å
279K94.6Very high95.2Very high16 Ų1633.7 Ų33.77%0.0717%0.166CC..THydrogen-bonded Turntrans-51.1135.9168.1-58.4175.8-65.3177.30109.6D43 L238 N240 A277 F282 F283 Y335 D343D43-K279 IonicContact OD1-NZ 3.79Å; D43-K279 PolarHBondContact OD1-NZ 2.63Å; D43-K279 VanDerWaalsContact OD1-NZ 3.08Å; D43-K279 IonicContact OD2-NZ 2.94Å; D43-K279 PolarHBondContact OD2-NZ 2.76Å; L238-K279 HydrophobicContact CG-CD 4.45Å; L238-K279 PolarHBondContact O-NZ 2.84Å; N240-K279 PolarHBondContact ND2-O 3.32Å; N240-K279 WeakPolarHBondContact OD1-CB 3.29Å; N240-K279 WeakPolarHBondContact OD1-CE 3.38Å; N240-K279 WeakPolarHBondContact OD1-CG 3.3Å; N240-K279 PolarHBondContact OD1-N 3.04Å; A277-K279 VanDerWaalsContact C-N 3.32Å; A277-K279 HydrophobicContact CB-CG 4.17Å; A277-K279 PolarHBondContact O-N 2.87Å; K279-F282 HydrophobicContact CG-CB 4Å; K279-F283 HydrophobicContact CD-CE2 3.85Å; K279-F283 HydrophobicContact CD-CZ 4.48Å; K279-F283 HydrophobicContact CG-CD2 4.36Å; K279-F283 HydrophobicContact CG-CE2 3.91Å; K279-Y335 PolarHBondContact NZ-OH 3.18Å; K279-Y335 VanDerWaalsContact NZ-OH 3.15Å; K279-D343 VanDerWaalsContact CD-OD1 3.31Å; K279-D343 WeakPolarHBondContact CD-OD1 3.25Å; K279-D343 VanDerWaalsContact CE-OD1 3.31Å; K279-D343 WeakPolarHBondContact CE-OD1 3.4Å; K279-D343 IonicContact NZ-OD1 3.74Å; K279-D343 PolarHBondContact NZ-OD1 3.2Å
280P93.2Very high95.2Very high41 Ų4136.7 Ų36.727%0.26618%0.178SC..THydrogen-bonded Turncis-80.9-9.99.233.3-37.6000115.4F282 F283 Y341 K346P280-F282 PolarHBondContact O-N 3.01Å; P280-F282 VanDerWaalsContact O-N 3.15Å; P280-F283 PolarHBondContact O-N 3.38Å; P280-Y341 HydrophobicContact CB-CD1 4.46Å; P280-Y341 HydrophobicContact CB-CE1 4.21Å; P280-Y341 HydrophobicContact CG-CD1 4.43Å; P280-Y341 HydrophobicContact CG-CE1 4Å; P280-K346 HydrophobicContact CB-CG 4Å
281A93.7Very high95.1Very high20 Ų2038.5 Ų38.517%0.16519%0.189CC..G310 helixtrans-57.3-33.6-175.800000112.2R278 F283 Q284 G286R278-A281 HydrophobicContact CB-CB 4.49Å; R278-A281 WeakPolarHBondContact O-CA 3.46Å; R278-A281 WeakPolarHBondContact O-CB 3.43Å; R278-A281 PolarHBondContact O-N 3.38Å; A281-F283 PolarHBondContact O-N 3.08Å; A281-F283 VanDerWaalsContact O-N 3.17Å; A281-Q284 CarbonylContact O-C 3.56Å; A281-Q284 WeakPolarHBondContact O-CA 3.3Å; A281-Q284 PolarHBondContact O-N 2.95Å; A281-G286 WeakPolarHBondContact O-CA 3.41Å; A281-G286 PolarHBondContact O-N 2.96Å
282F95.2Very high95.1Very high0 Ų038.6 Ų38.60%019%0.189CC..G310 helixtrans-49.8-40.1172.1-172-95.6000113.4L238 V274 A277 K279 P280 Q284 G317 S318 C319 F322L238-F282 HydrophobicContact CD1-CD1 4.06Å; L238-F282 HydrophobicContact CD1-CD2 3.93Å; L238-F282 HydrophobicContact CD1-CE1 3.76Å; L238-F282 HydrophobicContact CD1-CE2 3.61Å; L238-F282 HydrophobicContact CD1-CG 4.14Å; L238-F282 HydrophobicContact CD1-CZ 3.52Å; L238-F282 HydrophobicContact CD2-CD1 3.65Å; L238-F282 HydrophobicContact CD2-CE1 3.41Å; L238-F282 VanDerWaalsContact CD2-CE1 3.41Å; L238-F282 HydrophobicContact CD2-CG 4.43Å; L238-F282 HydrophobicContact CD2-CZ 4.02Å; L238-F282 HydrophobicContact CG-CD1 4.42Å; L238-F282 HydrophobicContact CG-CE1 4.24Å; L238-F282 HydrophobicContact CG-CZ 4.44Å; V274-F282 HydrophobicContact CG1-CE2 4.22Å; A277-F282 HydrophobicContact CB-CB 4.34Å; A277-F282 HydrophobicContact CB-CD2 4Å; A277-F282 HydrophobicContact CB-CG 4.29Å; A277-F282 WeakPolarHBondContact O-CB 3.49Å; K279-F282 HydrophobicContact CG-CB 4Å; P280-F282 PolarHBondContact O-N 3.01Å; P280-F282 VanDerWaalsContact O-N 3.15Å; F282-Q284 PolarHBondContact O-N 2.88Å; F282-G317 WeakPolarHBondContact CD2-O 3.41Å; F282-S318 CarbonylContact O-C 3.56Å; F282-S318 WeakPolarHBondContact O-CA 3.32Å; F282-C319 HydrophobicContact CD1-CB 3.9Å; F282-C319 HydrophobicContact CE1-CB 3.71Å; F282-C319 WeakPolarHBondContact O-CB 3.26Å; F282-C319 PolarHBondContact O-N 2.78Å; F282-F322 HydrophobicContact CZ-CB 3.82Å; F282-F322 HydrophobicContact CZ-CD1 4.36Å; F282-F322 HydrophobicContact CZ-CG 4.1Å
283F92.8Very high94.9Very high1 Ų139.6 Ų39.60%0.00420%0.2CC..G310 helixtrans-87.510.8180-61.9-68.7000113.3L238 K279 P280 A281 C319 Y335 G342 K346 T350 W353L238-F283 HydrophobicContact CD2-CE1 4.3Å; L238-F283 HydrophobicContact CD2-CZ 3.85Å; K279-F283 HydrophobicContact CD-CE2 3.85Å; K279-F283 HydrophobicContact CD-CZ 4.48Å; K279-F283 HydrophobicContact CG-CD2 4.36Å; K279-F283 HydrophobicContact CG-CE2 3.91Å; P280-F283 PolarHBondContact O-N 3.38Å; A281-F283 PolarHBondContact O-N 3.08Å; A281-F283 VanDerWaalsContact O-N 3.17Å; F283-C319 HydrophobicContact CD1-CB 3.92Å; F283-Y335 HydrophobicContact CE2-CE1 4.19Å; F283-Y335 AromaticContact CZ-CD1 3.99Å; F283-Y335 HydrophobicContact CZ-CD1 3.99Å; F283-Y335 AromaticContact CZ-CE1 3.64Å; F283-Y335 HydrophobicContact CZ-CE1 3.64Å; F283-G342 VanDerWaalsContact CD2-O 3.28Å; F283-G342 WeakPolarHBondContact CD2-O 3.28Å; F283-G342 VanDerWaalsContact CE2-O 3.24Å; F283-G342 WeakPolarHBondContact CE2-O 3.34Å; F283-K346 HydrophobicContact CB-CB 3.77Å; F283-K346 HydrophobicContact CD2-CB 4.35Å; F283-K346 HydrophobicContact CG-CB 4.33Å; F283-T350 WeakPolarHBondContact O-CB 3.33Å; F283-T350 WeakPolarHBondContact O-CG2 3.48Å; F283-T350 PolarHBondContact O-OG1 2.68Å; F283-W353 AromaticContact CE1-CE3 3.89Å; F283-W353 HydrophobicContact CE1-CE3 3.89Å; F283-W353 HydrophobicContact CE1-CH2 4.29Å; F283-W353 AromaticContact CE1-CZ3 3.66Å; F283-W353 HydrophobicContact CE1-CZ3 3.66Å; F283-W353 HydrophobicContact CZ-CZ3 4.25Å
284Q90.1Very high94.7Very high81 Ų8142.9 Ų42.938%0.37922%0.216SC..THydrogen-bonded Turntrans-129.6-125.8179.3-57.3-179.3-80.500107.9A281 F282 G286 K346A281-Q284 CarbonylContact O-C 3.56Å; A281-Q284 WeakPolarHBondContact O-CA 3.3Å; A281-Q284 PolarHBondContact O-N 2.95Å; F282-Q284 PolarHBondContact O-N 2.88Å; Q284-G286 VanDerWaalsContact C-N 3.27Å; Q284-G286 PolarHBondContact O-N 2.87Å; Q284-K346 VanDerWaalsContact NE2-NZ 3.17Å
285E90.8Very high94.4Very high147 Ų14750.4 Ų50.469%0.68726%0.256SS*.THydrogen-bonded Turntrans-65.7-27.6178.666.8-75.8173.500113.9
286G92.7Very high94.1Very high14 Ų1454 Ų5414%0.14428%0.278CS..  trans62.7-160.6-179.400000114.5A281 Q284 G317A281-G286 WeakPolarHBondContact O-CA 3.41Å; A281-G286 PolarHBondContact O-N 2.96Å; Q284-G286 VanDerWaalsContact C-N 3.27Å; Q284-G286 PolarHBondContact O-N 2.87Å; G286-G317 WeakPolarHBondContact CA-O 3.48Å
287T95Very high93.9Very high50 Ų5051.9 Ų51.931%0.30727%0.271SS..  trans-134.4-179.917659.80000110.6L289 G316 G317T287-L289 PolarHBondContact O-N 2.77Å; T287-G316 WeakPolarHBondContact OG1-CA 3.22Å; T287-G317 PolarHBondContact N-O 2.78Å; T287-G317 CarbonylContact O-C 3.57Å; T287-G317 WeakPolarHBondContact O-CA 3.49Å; T287-G317 PolarHBondContact O-N 3.28Å; T287-G317 PolarHBondContact OG1-N 2.91Å; T287-G317 VanDerWaalsContact OG1-N 3.1Å
288I94.2Very high93.8Very high61 Ų6158.2 Ų58.231%0.31330%0.301SS..  trans-68127.8175.6-60.2175.6000109.5R290 G302 H303 G317I288-R290 HydrophobicContact CG2-CG 4.07Å; I288-G302 WeakPolarHBondContact CG2-O 3.07Å; I288-H303 VanDerWaalsContact CG1-CE1 3.45Å; I288-H303 WeakPolarHBondContact CG1-CE1 3.26Å; I288-H303 HydrophobicContact CG2-CB 4.26Å; I288-H303 WeakPolarHBondContact CG2-ND1 3.26Å; I288-G317 PolarHBondContact O-N 2.84Å
289L96.2Very high93.8Very high8 Ų853.7 Ų53.74%0.04229%0.292CS..  trans-76.5121.5171.7-17072.5000109.9T287 H304 L308 Y314 L325T287-L289 PolarHBondContact O-N 2.77Å; L289-H304 HydrophobicContact CD2-CB 4.5Å; L289-H304 PolarHBondContact O-N 3.34Å; L289-L308 HydrophobicContact CD2-CD2 3.95Å; L289-Y314 HydrophobicContact CD1-CG 4.49Å; L289-Y314 HydrophobicContact CD2-CD1 4.43Å; L289-Y314 HydrophobicContact CG-CD1 4.39Å; L289-L325 HydrophobicContact CD2-CD1 3.62Å
290R96.2Very high93.7Very high70 Ų7054.9 Ų54.926%0.26430%0.303SS..EExtended strand (participates in β ladder)trans-120.7148.1-177.6-59.5-178.6178.8-71.3-8.6111I288 P299 S300 G302 Y314 S315I288-R290 HydrophobicContact CG2-CG 4.07Å; R290-P299 HydrophobicContact CB-CB 3.94Å; R290-S300 WeakPolarHBondContact CD-O 3.45Å; R290-S300 PolarHBondContact NH1-O 2.67Å; R290-G302 PolarHBondContact NH1-O 3.3Å; R290-Y314 CarbonylContact O-C 3.51Å; R290-Y314 WeakPolarHBondContact O-CA 3.46Å; R290-Y314 WeakPolarHBondContact O-CB 3.47Å; R290-S315 PolarHBondContact N-O 3.25Å; R290-S315 PolarHBondContact O-N 3.16Å
291V96.2Very high93.6Very high38 Ų3861.2 Ų61.223%0.2333%0.333CS..EExtended strand (participates in β ladder)trans-82.4132.6171.9-176.20000108.7P299 S300 H304 Q312 Y314V291-P299 CarbonylContact O-C 3.6Å; V291-P299 WeakPolarHBondContact O-CA 3.35Å; V291-S300 PolarHBondContact N-OG 2.96Å; V291-S300 WeakPolarHBondContact O-CB 3.43Å; V291-S300 PolarHBondContact O-N 3.49Å; V291-H304 HydrophobicContact CG2-CB 4.06Å; V291-H304 WeakPolarHBondContact CG2-ND1 3.4Å; V291-Q312 HydrophobicContact CG1-CG 4.02Å; V291-Q312 VanDerWaalsContact CG1-NE2 3.28Å; V291-Y314 HydrophobicContact CG2-CD1 4.11Å; V291-Y314 HydrophobicContact CG2-CE1 3.9Å
292V96.4Very high93.3Very high3 Ų361.7 Ų61.72%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-97126.2177.1-178.50000110F243 Q294 Q312 I313F243-V292 HydrophobicContact CB-CG1 4.03Å; F243-V292 HydrophobicContact CD1-CG1 4.09Å; F243-V292 HydrophobicContact CD2-CG1 4.39Å; F243-V292 HydrophobicContact CG-CG1 3.88Å; V292-Q294 PolarHBondContact O-N 2.69Å; V292-Q312 PolarHBondContact O-NE2 2.62Å; V292-I313 HydrophobicContact CB-CB 4.19Å; V292-I313 HydrophobicContact CB-CG2 4Å; V292-I313 HydrophobicContact CG2-CG2 4.15Å; V292-I313 PolarHBondContact N-O 3.2Å
293C94.3Very high92.9Very high52 Ų5267.5 Ų67.535%0.35137%0.366SS..  trans-70.7114.7170.4175.90000109.2D295 T296 G297 Q298C293-D295 PolarHBondContact O-N 2.9Å; C293-T296 VanDerWaalsContact CB-OG1 3.27Å; C293-T296 WeakPolarHBondContact CB-OG1 3.42Å; C293-T296 PolarHBondContact O-N 2.92Å; C293-T296 PolarHBondContact SG-OG1 3.06Å; C293-G297 VanDerWaalsContact O-CA 3.25Å; C293-G297 WeakPolarHBondContact O-CA 3.49Å; C293-G297 PolarHBondContact O-N 3.11Å; C293-Q298 PolarHBondContact N-O 2.9Å
294Q92.5Very high92.8Very high70 Ų7069.2 Ų69.233%0.32737%0.374SS..THydrogen-bonded Turntrans-67.2-23.4-174.8-60.3-169.841.400113.4F243 V292 G311 I313F243-Q294 HydrophobicContact CZ-CB 4.33Å; F243-Q294 WeakPolarHBondContact CZ-O 3.49Å; V292-Q294 PolarHBondContact O-N 2.69Å; Q294-G311 PolarHBondContact NE2-O 3.33Å; Q294-I313 HydrophobicContact CG-CD1 4.08Å; Q294-I313 HydrophobicContact CG-CG1 4.41Å
295D91.8Very high92.4Very high157 Ų15773.1 Ų73.184%0.8439%0.394SS*.THydrogen-bonded Turntrans-80.7-33.5179.4-56.7-45.8000112.5C293C293-D295 PolarHBondContact O-N 2.9Å
296T92.5Very high92.3Very high77 Ų7767.5 Ų67.547%0.47238%0.376SS..THydrogen-bonded Turntrans-110.3-13.3-17564.10000113.9C293 Q298C293-T296 VanDerWaalsContact CB-OG1 3.27Å; C293-T296 WeakPolarHBondContact CB-OG1 3.42Å; C293-T296 PolarHBondContact O-N 2.92Å; C293-T296 PolarHBondContact SG-OG1 3.06Å; T296-Q298 PolarHBondContact O-N 3.11Å; T296-Q298 VanDerWaalsContact O-N 3.16Å; T296-Q298 PolarHBondContact OG1-N 3.08Å
297G92.4Very high92.2Very high18 Ų1871.7 Ų71.719%0.18640%0.4CS..  trans68.1-0-170.600000115.2F243 C293F243-G297 VanDerWaalsContact CD1-CA 3.4Å; C293-G297 VanDerWaalsContact O-CA 3.25Å; C293-G297 WeakPolarHBondContact O-CA 3.49Å; C293-G297 PolarHBondContact O-N 3.11Å
298Q94Very high92.2Very high133 Ų13370 Ų7062%0.62139%0.389SS*.PPolyproline II helixtrans-79.9133.6-174.1-64.8-1765.700111.8C293 T296C293-Q298 PolarHBondContact N-O 2.9Å; T296-Q298 PolarHBondContact O-N 3.11Å; T296-Q298 VanDerWaalsContact O-N 3.16Å; T296-Q298 PolarHBondContact OG1-N 3.08Å
299P94.1Very high92.2Very high70 Ų7073.1 Ų73.146%0.45540%0.402SS..BIsolated β-bridgetrans-76.3144.6173.132.2-34.6000111.2R290 V291R290-P299 HydrophobicContact CB-CB 3.94Å; V291-P299 CarbonylContact O-C 3.6Å; V291-P299 WeakPolarHBondContact O-CA 3.35Å
300S93.6Very high92Very high41 Ų4176.7 Ų76.729%0.28743%0.425SS..PPolyproline II helixtrans-62.1147.1177.8670000111.9R290 V291R290-S300 WeakPolarHBondContact CD-O 3.45Å; R290-S300 PolarHBondContact NH1-O 2.67Å; V291-S300 PolarHBondContact N-OG 2.96Å; V291-S300 WeakPolarHBondContact O-CB 3.43Å; V291-S300 PolarHBondContact O-N 3.49Å
301I90.1Very high91.6Very high175 Ų17574 Ų7490%0.89742%0.419SS*.SBendtrans-70.6138.9167.5-58.3174.1000108.4
302G88.4Confident91.6Very high29 Ų2974.2 Ų74.230%0.29942%0.417SS..SBendtrans85.2-164.5179.600000115I288 R290I288-G302 WeakPolarHBondContact CG2-O 3.07Å; R290-G302 PolarHBondContact NH1-O 3.3Å
303H87.4Confident91.6Very high123 Ų12374 Ų7457%0.56942%0.416SS*.  trans-104.6136.5-175.3-60-109.6000110.2I288 M305I288-H303 VanDerWaalsContact CG1-CE1 3.45Å; I288-H303 WeakPolarHBondContact CG1-CE1 3.26Å; I288-H303 HydrophobicContact CG2-CB 4.26Å; I288-H303 WeakPolarHBondContact CG2-ND1 3.26Å; H303-M305 HydrophobicContact CB-SD 4.31Å; H303-M305 PolarHBondContact O-N 3.17Å
304H89.2Confident91.8Very high36 Ų3671.7 Ų71.717%0.16740%0.4CS..  trans-73.9121.4165.7-173.865.8000110L289 V291 G306 P307 Y314L289-H304 HydrophobicContact CD2-CB 4.5Å; L289-H304 PolarHBondContact O-N 3.34Å; V291-H304 HydrophobicContact CG2-CB 4.06Å; V291-H304 WeakPolarHBondContact CG2-ND1 3.4Å; H304-G306 PolarHBondContact CD2-O 2.87Å; H304-G306 PolarHBondContact NE2-O 2.82Å; H304-P307 PolarHBondContact NE2-O 3.16Å; H304-P307 VanDerWaalsContact NE2-O 3.08Å; H304-Y314 AromaticContact CD2-CE1 3.63Å; H304-Y314 AromaticContact CE1-CE1 3.99Å; H304-Y314 AromaticContact CG-CE1 3.9Å; H304-Y314 AromaticContact NE2-CE1 3.68Å
305M82.9Confident92Very high164 Ų16469 Ų6981%0.80839%0.389SS*.  trans-113.6-8.7-177.8-64.4-63.8-63.500113.4H303H303-M305 HydrophobicContact CB-SD 4.31Å; H303-M305 PolarHBondContact O-N 3.17Å
306G87.6Confident92.2Very high28 Ų2861.7 Ų61.729%0.28935%0.351SS..SBendtrans-87.2174.8-177.900000113.3H304 L325H304-G306 PolarHBondContact CD2-O 2.87Å; H304-G306 PolarHBondContact NE2-O 2.82Å; G306-L325 WeakPolarHBondContact O-CD2 3.07Å
307P92.1Very high92.3Very high102 Ų10258.1 Ų58.166%0.66233%0.329SS*.PPolyproline II helixtrans-57.5153.3168.827.3-34.6000110.8H304H304-P307 PolarHBondContact NE2-O 3.16Å; H304-P307 VanDerWaalsContact NE2-O 3.08Å
308L94.5Very high92.4Very high15 Ų1557.8 Ų57.88%0.07932%0.324CS..PPolyproline II helixtrans-79.7127.1173.1-58.1-176.1000110.2Y272 L289 Y314 F322 L325 I326Y272-L308 HydrophobicContact CD1-CB 3.51Å; Y272-L308 HydrophobicContact CD1-CD1 4.04Å; Y272-L308 HydrophobicContact CD1-CG 4.42Å; Y272-L308 HydrophobicContact CE1-CB 3.75Å; Y272-L308 HydrophobicContact CG-CD1 4.34Å; L289-L308 HydrophobicContact CD2-CD2 3.95Å; L308-Y314 WeakPolarHBondContact CA-OH 3.43Å; L308-Y314 HydrophobicContact CB-CE2 4.15Å; L308-Y314 HydrophobicContact CD2-CD1 3.92Å; L308-Y314 HydrophobicContact CD2-CD2 4.1Å; L308-Y314 HydrophobicContact CD2-CE1 3.53Å; L308-Y314 HydrophobicContact CD2-CE2 3.77Å; L308-Y314 HydrophobicContact CD2-CG 4.19Å; L308-Y314 VanDerWaalsContact CD2-CZ 3.48Å; L308-Y314 HydrophobicContact CG-CE2 4.42Å; L308-F322 HydrophobicContact CD1-CD2 3.75Å; L308-F322 HydrophobicContact CD1-CE2 3.68Å; L308-L325 HydrophobicContact CD1-CB 4.23Å; L308-L325 HydrophobicContact CD2-CD1 3.87Å; L308-L325 HydrophobicContact CG-CB 4.01Å; L308-L325 HydrophobicContact CG-CD1 4.16Å; L308-I326 HydrophobicContact CD1-CG2 3.72Å
309E93.3Very high92.4Very high126 Ų12651.5 Ų51.559%0.58930%0.295SS*.PPolyproline II helixtrans-89.5143.4177.3-63.4-178.3-167.400113Q312 Y314E309-Q312 HydrophobicContact CB-CB 4Å; E309-Q312 WeakPolarHBondContact O-CB 3Å; E309-Q312 PolarHBondContact O-N 3.37Å; E309-Y314 PolarHBondContact N-OH 3.08Å
310T92.9Very high92.3Very high84 Ų8454.8 Ų54.852%0.51530%0.304SS..THydrogen-bonded Turntrans-65.4131.7177.2-65.60000112.1D271 Q312D271-T310 VanDerWaalsContact O-CA 3.32Å; D271-T310 WeakPolarHBondContact O-CA 3.27Å; T310-Q312 PolarHBondContact O-N 3.26Å
311G88.4Confident92.2Very high13 Ų1355.8 Ų55.813%0.13431%0.308CS..THydrogen-bonded Turntrans75.3-3.8-17900000114.5Q294Q294-G311 PolarHBondContact NE2-O 3.33Å
312Q94.7Very high92.4Very high42 Ų4247.5 Ų47.520%0.19627%0.266CS..  trans-78.9142.8169-17553.754.500109.6V291 V292 E309 T310 Y314V291-Q312 HydrophobicContact CG1-CG 4.02Å; V291-Q312 VanDerWaalsContact CG1-NE2 3.28Å; V292-Q312 PolarHBondContact O-NE2 2.62Å; E309-Q312 HydrophobicContact CB-CB 4Å; E309-Q312 WeakPolarHBondContact O-CB 3Å; E309-Q312 PolarHBondContact O-N 3.37Å; T310-Q312 PolarHBondContact O-N 3.26Å; Q312-Y314 HydrophobicContact CB-CE2 3.92Å; Q312-Y314 HydrophobicContact CG-CE1 4.22Å; Q312-Y314 HydrophobicContact CG-CE2 3.91Å; Q312-Y314 WeakPolarHBondContact CG-OH 3.36Å; Q312-Y314 WeakPolarHBondContact O-CE2 3.42Å
313I97.1Very high92.6Very high0 Ų046.8 Ų46.80%026%0.256CS..EExtended strand (participates in β ladder)trans-104.2136.4-178.9-57177.5000108.6F243 W266 T267 I273 T275 V292 Q294F243-I313 HydrophobicContact CD2-CD1 3.49Å; F243-I313 VanDerWaalsContact CD2-CD1 3.49Å; F243-I313 HydrophobicContact CD2-CG2 4.15Å; F243-I313 HydrophobicContact CE2-CD1 3.23Å; F243-I313 HydrophobicContact CZ-CD1 4.37Å; W266-I313 HydrophobicContact CH2-CD1 4.23Å; W266-I313 HydrophobicContact CZ2-CD1 3.96Å; T267-I313 HydrophobicContact CG2-CD1 3.88Å; T267-I313 HydrophobicContact CG2-CG1 4.25Å; I273-I313 HydrophobicContact CB-CG1 4.27Å; I273-I313 HydrophobicContact CD1-CG1 4.1Å; I273-I313 HydrophobicContact CG2-CB 4.48Å; I273-I313 HydrophobicContact CG2-CG1 4.09Å; I273-I313 HydrophobicContact CG2-CG2 4.1Å; T275-I313 HydrophobicContact CG2-CG2 4Å; V292-I313 HydrophobicContact CB-CB 4.19Å; V292-I313 HydrophobicContact CB-CG2 4Å; V292-I313 HydrophobicContact CG2-CG2 4.15Å; V292-I313 PolarHBondContact N-O 3.2Å; Q294-I313 HydrophobicContact CG-CD1 4.08Å; Q294-I313 HydrophobicContact CG-CG1 4.41Å
314Y97.8Very high92.8Very high2 Ų246.4 Ų46.41%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-121.1155.9176-54.5-92000110I273 V274 T275 L289 R290 V291 H304 L308 E309 Q312I273-Y314 WeakPolarHBondContact O-CD2 3.35Å; I273-Y314 PolarHBondContact O-N 2.59Å; V274-Y314 CarbonylContact C-O 3.24Å; V274-Y314 VanDerWaalsContact CA-O 3.32Å; V274-Y314 WeakPolarHBondContact CA-O 3.47Å; T275-Y314 PolarHBondContact N-O 3.15Å; T275-Y314 PolarHBondContact OG1-O 2.91Å; L289-Y314 HydrophobicContact CD1-CG 4.49Å; L289-Y314 HydrophobicContact CD2-CD1 4.43Å; L289-Y314 HydrophobicContact CG-CD1 4.39Å; R290-Y314 CarbonylContact O-C 3.51Å; R290-Y314 WeakPolarHBondContact O-CA 3.46Å; R290-Y314 WeakPolarHBondContact O-CB 3.47Å; V291-Y314 HydrophobicContact CG2-CD1 4.11Å; V291-Y314 HydrophobicContact CG2-CE1 3.9Å; H304-Y314 AromaticContact CD2-CE1 3.63Å; H304-Y314 AromaticContact CE1-CE1 3.99Å; H304-Y314 AromaticContact CG-CE1 3.9Å; H304-Y314 AromaticContact NE2-CE1 3.68Å; L308-Y314 WeakPolarHBondContact CA-OH 3.43Å; L308-Y314 HydrophobicContact CB-CE2 4.15Å; L308-Y314 HydrophobicContact CD2-CD1 3.92Å; L308-Y314 HydrophobicContact CD2-CD2 4.1Å; L308-Y314 HydrophobicContact CD2-CE1 3.53Å; L308-Y314 HydrophobicContact CD2-CE2 3.77Å; L308-Y314 HydrophobicContact CD2-CG 4.19Å; L308-Y314 VanDerWaalsContact CD2-CZ 3.48Å; L308-Y314 HydrophobicContact CG-CE2 4.42Å; E309-Y314 PolarHBondContact N-OH 3.08Å; Q312-Y314 HydrophobicContact CB-CE2 3.92Å; Q312-Y314 HydrophobicContact CG-CE1 4.22Å; Q312-Y314 HydrophobicContact CG-CE2 3.91Å; Q312-Y314 WeakPolarHBondContact CG-OH 3.36Å; Q312-Y314 WeakPolarHBondContact O-CE2 3.42Å
315S97.1Very high93Very high15 Ų1547.1 Ų47.111%0.10526%0.263CS..EExtended strand (participates in β ladder)trans-125.2139.4178.6170.10000110.5T275 D276 R290T275-S315 CarbonylContact O-C 3.6Å; T275-S315 VanDerWaalsContact O-CA 3.27Å; T275-S315 WeakPolarHBondContact O-CA 3.24Å; D276-S315 WeakPolarHBondContact CB-OG 3.44Å; R290-S315 PolarHBondContact N-O 3.25Å; R290-S315 PolarHBondContact O-N 3.16Å
316G96.5Very high93.5Very high3 Ų339.9 Ų39.93%0.03123%0.228CC..SBendtrans74.9-132.4178.100000113.3V274 T275 D276 T287V274-G316 WeakPolarHBondContact CG1-O 3.4Å; T275-G316 PolarHBondContact O-N 2.85Å; D276-G316 WeakPolarHBondContact O-CA 3.43Å; T287-G316 WeakPolarHBondContact OG1-CA 3.22Å
317G95.1Very high93.7Very high2 Ų241.1 Ų41.12%0.02124%0.24CC..  trans87.7-177.9-179.200000114.6F282 G286 T287 I288F282-G317 WeakPolarHBondContact CD2-O 3.41Å; G286-G317 WeakPolarHBondContact CA-O 3.48Å; T287-G317 PolarHBondContact N-O 2.78Å; T287-G317 CarbonylContact O-C 3.57Å; T287-G317 WeakPolarHBondContact O-CA 3.49Å; T287-G317 PolarHBondContact O-N 3.28Å; T287-G317 PolarHBondContact OG1-N 2.91Å; T287-G317 VanDerWaalsContact OG1-N 3.1Å; I288-G317 PolarHBondContact O-N 2.84Å
318S94.7Very high93.7Very high10 Ų1036.7 Ų36.77%0.0721%0.212CC..  trans-131.6157.4171.975.60000109.9F282 E320 V321 F322F282-S318 CarbonylContact O-C 3.56Å; F282-S318 WeakPolarHBondContact O-CA 3.32Å; S318-E320 VanDerWaalsContact C-N 3.28Å; S318-E320 PolarHBondContact O-N 3.39Å; S318-V321 PolarHBondContact O-N 3Å; S318-V321 WeakPolarHBondContact OG-CG2 3.44Å; S318-V321 PolarHBondContact OG-N 2.81Å; S318-F322 VanDerWaalsContact O-CB 3.23Å; S318-F322 WeakPolarHBondContact O-CB 3.41Å; S318-F322 PolarHBondContact O-N 3.46Å
319C93.5Very high93.5Very high2 Ų245.7 Ų45.71%0.01425%0.245CC..Hα-helixtrans-63.6-35.5179.8-170.40000111.8F282 F283 S323 V351 W353F282-C319 HydrophobicContact CD1-CB 3.9Å; F282-C319 HydrophobicContact CE1-CB 3.71Å; F282-C319 WeakPolarHBondContact O-CB 3.26Å; F282-C319 PolarHBondContact O-N 2.78Å; F283-C319 HydrophobicContact CD1-CB 3.92Å; C319-S323 WeakPolarHBondContact O-CB 3.45Å; C319-S323 PolarHBondContact O-N 2.65Å; C319-S323 PolarHBondContact O-OG 2.78Å; C319-V351 HydrophobicContact CB-CG1 4.26Å; C319-W353 WeakPolarHBondContact SG-CZ2 3.4Å
320E91Very high93.3Very high139 Ų13940.7 Ų40.765%0.6523%0.228SC*.Hα-helixtrans-62.3-54.2175.2-175.9-174.5170.400111.1S318 F322 S323 N324S318-E320 VanDerWaalsContact C-N 3.28Å; S318-E320 PolarHBondContact O-N 3.39Å; E320-F322 VanDerWaalsContact C-N 3.34Å; E320-F322 PolarHBondContact O-N 3.36Å; E320-S323 PolarHBondContact O-N 3.1Å; E320-N324 WeakPolarHBondContact O-CB 3.42Å; E320-N324 PolarHBondContact O-N 3.03Å; E320-N324 PolarHBondContact O-ND2 2.74Å
321V91.9Very high93.3Very high62 Ų6243.1 Ų43.138%0.37623%0.231SC..Hα-helixtrans-60.2-47178.8172.80000110.3S318 N324 L325S318-V321 PolarHBondContact O-N 3Å; S318-V321 WeakPolarHBondContact OG-CG2 3.44Å; S318-V321 PolarHBondContact OG-N 2.81Å; V321-N324 PolarHBondContact O-N 3.21Å; V321-L325 HydrophobicContact CG1-CD1 3.83Å; V321-L325 HydrophobicContact CG1-CG 4.34Å; V321-L325 WeakPolarHBondContact O-CB 3.47Å; V321-L325 VanDerWaalsContact O-CG 3.26Å; V321-L325 WeakPolarHBondContact O-CG 3.46Å; V321-L325 PolarHBondContact O-N 2.9Å
322F94.3Very high93.6Very high1 Ų143.8 Ų43.80%0.00423%0.232CC..Hα-helixtrans-60.4-48.4179.1-178.7-105000112F236 Y272 V274 F282 L308 S318 E320 N324 L325 I326 W353F236-F322 HydrophobicContact CB-CZ 4.05Å; F236-F322 HydrophobicContact CD1-CE1 4.28Å; F236-F322 HydrophobicContact CD1-CZ 4.3Å; F236-F322 AromaticContact CD2-CE1 3.86Å; F236-F322 HydrophobicContact CD2-CE1 3.86Å; F236-F322 AromaticContact CD2-CZ 3.77Å; F236-F322 HydrophobicContact CD2-CZ 3.77Å; F236-F322 HydrophobicContact CE1-CE1 4.25Å; F236-F322 AromaticContact CE2-CE1 3.82Å; F236-F322 HydrophobicContact CE2-CE1 3.82Å; F236-F322 HydrophobicContact CE2-CZ 4.23Å; F236-F322 HydrophobicContact CG-CE1 4.08Å; F236-F322 AromaticContact CG-CZ 3.8Å; F236-F322 HydrophobicContact CG-CZ 3.8Å; F236-F322 HydrophobicContact CZ-CE1 4.01Å; Y272-F322 HydrophobicContact CD2-CZ 4.46Å; V274-F322 HydrophobicContact CG2-CD2 3.91Å; V274-F322 HydrophobicContact CG2-CE2 3.74Å; F282-F322 HydrophobicContact CZ-CB 3.82Å; F282-F322 HydrophobicContact CZ-CD1 4.36Å; F282-F322 HydrophobicContact CZ-CG 4.1Å; L308-F322 HydrophobicContact CD1-CD2 3.75Å; L308-F322 HydrophobicContact CD1-CE2 3.68Å; S318-F322 VanDerWaalsContact O-CB 3.23Å; S318-F322 WeakPolarHBondContact O-CB 3.41Å; S318-F322 PolarHBondContact O-N 3.46Å; E320-F322 VanDerWaalsContact C-N 3.34Å; E320-F322 PolarHBondContact O-N 3.36Å; F322-N324 VanDerWaalsContact C-N 3.32Å; F322-N324 PolarHBondContact O-N 2.72Å; F322-L325 PolarHBondContact O-N 2.74Å; F322-I326 HydrophobicContact CD1-CD1 4.04Å; F322-I326 HydrophobicContact CD2-CG2 4.46Å; F322-I326 HydrophobicContact CE1-CD1 3.54Å; F322-I326 HydrophobicContact CE2-CG2 4.09Å; F322-I326 HydrophobicContact CZ-CD1 3.99Å; F322-I326 HydrophobicContact CZ-CG2 4.15Å; F322-I326 WeakPolarHBondContact O-CG1 3.43Å; F322-I326 PolarHBondContact O-N 3.22Å; F322-W353 HydrophobicContact CD1-CH2 4.27Å; F322-W353 HydrophobicContact CD1-CZ2 4.49Å; F322-W353 HydrophobicContact CE1-CH2 4.41Å
323S92.9Very high93.7Very high13 Ų1341.8 Ų41.89%0.09122%0.222CC..Hα-helixtrans-61.7-40179.5-610000111.9C319 E320 G327 A328C319-S323 WeakPolarHBondContact O-CB 3.45Å; C319-S323 PolarHBondContact O-N 2.65Å; C319-S323 PolarHBondContact O-OG 2.78Å; E320-S323 PolarHBondContact O-N 3.1Å; S323-G327 CarbonylContact O-C 3.57Å; S323-G327 WeakPolarHBondContact O-CA 3.46Å; S323-G327 PolarHBondContact O-N 2.72Å; S323-A328 PolarHBondContact O-N 3.42Å
324N91.8Very high93.7Very high116 Ų11641.8 Ų41.862%0.6222%0.222SC*.Hα-helixtrans-64-45.4175.4-72.7-22.5000111.7E320 V321 F322 I326 G327E320-N324 WeakPolarHBondContact O-CB 3.42Å; E320-N324 PolarHBondContact O-N 3.03Å; E320-N324 PolarHBondContact O-ND2 2.74Å; V321-N324 PolarHBondContact O-N 3.21Å; F322-N324 VanDerWaalsContact C-N 3.32Å; F322-N324 PolarHBondContact O-N 2.72Å; N324-I326 VanDerWaalsContact C-N 3.34Å; N324-I326 PolarHBondContact O-N 2.82Å; N324-G327 PolarHBondContact O-N 3.01Å
325L92.7Very high93.7Very high50 Ų5041.7 Ų41.726%0.26222%0.222SC..Hα-helixtrans-65.9-34-179.5-71.1173.9000113.1L289 G306 L308 V321 F322L289-L325 HydrophobicContact CD2-CD1 3.62Å; G306-L325 WeakPolarHBondContact O-CD2 3.07Å; L308-L325 HydrophobicContact CD1-CB 4.23Å; L308-L325 HydrophobicContact CD2-CD1 3.87Å; L308-L325 HydrophobicContact CG-CB 4.01Å; L308-L325 HydrophobicContact CG-CD1 4.16Å; V321-L325 HydrophobicContact CG1-CD1 3.83Å; V321-L325 HydrophobicContact CG1-CG 4.34Å; V321-L325 WeakPolarHBondContact O-CB 3.47Å; V321-L325 VanDerWaalsContact O-CG 3.26Å; V321-L325 WeakPolarHBondContact O-CG 3.46Å; V321-L325 PolarHBondContact O-N 2.9Å; F322-L325 PolarHBondContact O-N 2.74Å
326I93.2Very high93.7Very high13 Ų1341 Ų417%0.06722%0.217CC..Hα-helixtrans-92.7-5.3177.672.9174000113.4F39 Y272 L308 F322 N324 A328F39-I326 HydrophobicContact CD1-CD1 3.82Å; F39-I326 HydrophobicContact CD1-CG1 4.49Å; F39-I326 HydrophobicContact CE1-CB 4.15Å; F39-I326 HydrophobicContact CE1-CD1 4Å; F39-I326 HydrophobicContact CE1-CG1 4.16Å; F39-I326 HydrophobicContact CG-CD1 4.27Å; F39-I326 HydrophobicContact CZ-CG1 4.45Å; F39-I326 VanDerWaalsContact CZ-O 3.27Å; F39-I326 WeakPolarHBondContact CZ-O 3.29Å; Y272-I326 HydrophobicContact CD1-CG2 4.12Å; Y272-I326 HydrophobicContact CD2-CB 4.31Å; Y272-I326 HydrophobicContact CD2-CG2 3.58Å; Y272-I326 HydrophobicContact CE1-CG2 4.02Å; Y272-I326 HydrophobicContact CE2-CB 3.77Å; Y272-I326 HydrophobicContact CE2-CG2 3.45Å; Y272-I326 VanDerWaalsContact CE2-CG2 3.45Å; Y272-I326 HydrophobicContact CG-CG2 3.92Å; L308-I326 HydrophobicContact CD1-CG2 3.72Å; F322-I326 HydrophobicContact CD1-CD1 4.04Å; F322-I326 HydrophobicContact CD2-CG2 4.46Å; F322-I326 HydrophobicContact CE1-CD1 3.54Å; F322-I326 HydrophobicContact CE2-CG2 4.09Å; F322-I326 HydrophobicContact CZ-CD1 3.99Å; F322-I326 HydrophobicContact CZ-CG2 4.15Å; F322-I326 WeakPolarHBondContact O-CG1 3.43Å; F322-I326 PolarHBondContact O-N 3.22Å; N324-I326 VanDerWaalsContact C-N 3.34Å; N324-I326 PolarHBondContact O-N 2.82Å; I326-A328 HydrophobicContact CD1-CB 3.68Å; I326-A328 HydrophobicContact CG1-CB 3.64Å
327G92.3Very high93.8Very high54 Ų5440.8 Ų40.856%0.55722%0.215SC*.THydrogen-bonded Turntrans68.227.9-177.200000114.6S323 N324S323-G327 CarbonylContact O-C 3.57Å; S323-G327 WeakPolarHBondContact O-CA 3.46Å; S323-G327 PolarHBondContact O-N 2.72Å; N324-G327 PolarHBondContact O-N 3.01Å
328A92.5Very high93.8Very high9 Ų941 Ų417%0.07422%0.216CC..  trans-86.5143.4-179.900000112.1F39 S323 I326 V333F39-A328 HydrophobicContact CD2-CB 3.7Å; F39-A328 HydrophobicContact CE2-CB 3.63Å; F39-A328 HydrophobicContact CG-CB 4.33Å; F39-A328 HydrophobicContact CZ-CB 4.18Å; S323-A328 PolarHBondContact O-N 3.42Å; I326-A328 HydrophobicContact CD1-CB 3.68Å; I326-A328 HydrophobicContact CG1-CB 3.64Å; A328-V333 HydrophobicContact CB-CG2 3.77Å
329R90.2Very high93.7Very high203 Ų20343 Ų4377%0.76622%0.224SC*.  trans-123.7117.1173.6-61.7-178.2-175.7-176.80.3110.2K331 D332R329-K331 PolarHBondContact O-N 3.07Å; R329-D332 VanDerWaalsContact O-CB 3.24Å; R329-D332 WeakPolarHBondContact O-CB 3.49Å; R329-D332 PolarHBondContact O-N 2.82Å
330G88.1Confident93.6Very high22 Ų2243.1 Ų43.123%0.22723%0.225CC..G310 helixtrans31-99.1169.700000115.5D332 V333 V351 G352 W353G330-D332 PolarHBondContact O-N 3.07Å; G330-D332 VanDerWaalsContact O-N 3.11Å; G330-V333 PolarHBondContact O-N 3.47Å; G330-V333 VanDerWaalsContact O-N 3.15Å; G330-V351 VanDerWaalsContact CA-O 3.23Å; G330-V351 WeakPolarHBondContact CA-O 3.42Å; G330-G352 CarbonylContact C-O 3.57Å; G330-G352 VanDerWaalsContact C-O 3.3Å; G330-W353 WeakPolarHBondContact O-CA 3.24Å
331K93Very high93.4Very high134 Ų13441.5 Ų41.558%0.58321%0.213SC*.G310 helixtrans-65.3-9.1-175.9-62.1176.1-179.2168.30115.5I37 R329 V333 G352I37-K331 WeakPolarHBondContact CD1-O 3.36Å; R329-K331 PolarHBondContact O-N 3.07Å; K331-V333 PolarHBondContact O-N 3.35Å; K331-G352 PolarHBondContact N-O 3.23Å
332D94.9Very high93Very high27 Ų2738.6 Ų38.614%0.14420%0.196CC..G310 helixtrans-70.1-17.6172.4-73-14.9000112.2K38 F39 R329 G330K38-D332 HydrophobicContact CB-CB 4.41Å; K38-D332 HydrophobicContact CD-CB 4.25Å; K38-D332 HydrophobicContact CG-CB 4.44Å; K38-D332 PolarHBondContact N-O 3.35Å; K38-D332 VanDerWaalsContact NZ-CG 3.31Å; K38-D332 IonicContact NZ-OD1 2.82Å; K38-D332 PolarHBondContact NZ-OD1 3.2Å; K38-D332 IonicContact NZ-OD2 2.77Å; K38-D332 PolarHBondContact NZ-OD2 3.06Å; F39-D332 HydrophobicContact CD2-CB 4.24Å; F39-D332 PolarHBondContact N-O 2.99Å; R329-D332 VanDerWaalsContact O-CB 3.24Å; R329-D332 WeakPolarHBondContact O-CB 3.49Å; R329-D332 PolarHBondContact O-N 2.82Å; G330-D332 PolarHBondContact O-N 3.07Å; G330-D332 VanDerWaalsContact O-N 3.11Å
333V96.9Very high92.7Very high0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-105.1132.1-175.9-173.30000110.7F39 F236 A328 G330 K331 W353 R354F39-V333 HydrophobicContact CB-CG1 4.45Å; F39-V333 HydrophobicContact CB-CG2 4.15Å; F39-V333 HydrophobicContact CD2-CG2 4.35Å; F39-V333 WeakPolarHBondContact O-CA 3.33Å; F236-V333 HydrophobicContact CE1-CG1 3.89Å; F236-V333 HydrophobicContact CZ-CG1 3.85Å; A328-V333 HydrophobicContact CB-CG2 3.77Å; G330-V333 PolarHBondContact O-N 3.47Å; G330-V333 VanDerWaalsContact O-N 3.15Å; K331-V333 PolarHBondContact O-N 3.35Å; V333-W353 HydrophobicContact CB-CB 4.33Å; V333-W353 HydrophobicContact CB-CD2 3.88Å; V333-W353 HydrophobicContact CB-CG 3.78Å; V333-W353 HydrophobicContact CG1-CD2 3.63Å; V333-W353 HydrophobicContact CG1-CE3 3.79Å; V333-W353 HydrophobicContact CG1-CG 4.01Å; V333-W353 HydrophobicContact CG1-CH2 4.4Å; V333-W353 HydrophobicContact CG1-CZ2 4.29Å; V333-W353 HydrophobicContact CG1-CZ3 4.17Å; V333-W353 HydrophobicContact CG2-CD2 4.25Å; V333-W353 HydrophobicContact CG2-CG 4.31Å; V333-W353 HydrophobicContact CG2-CZ2 4.27Å; V333-R354 WeakPolarHBondContact O-CA 3.29Å; V333-R354 VanDerWaalsContact O-CB 3.28Å; V333-R354 WeakPolarHBondContact O-CB 3.48Å; V333-R354 PolarHBondContact O-N 3.17Å
334L97.6Very high92.5Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-108108.8161.4-177.963.6000108.8L32 L34 I37 F39 F40 G41 R354 L447L32-L334 HydrophobicContact CD1-CD1 3.9Å; L34-L334 HydrophobicContact CD2-CD2 4.15Å; I37-L334 HydrophobicContact CD1-CB 4.18Å; I37-L334 HydrophobicContact CG1-CB 4.2Å; I37-L334 HydrophobicContact CG2-CB 3.66Å; F39-L334 PolarHBondContact O-N 3.31Å; F40-L334 HydrophobicContact CD1-CB 4.31Å; F40-L334 HydrophobicContact CD1-CD2 4.06Å; F40-L334 HydrophobicContact CE1-CB 4.45Å; F40-L334 HydrophobicContact CE1-CD2 3.78Å; G41-L334 PolarHBondContact N-O 3.09Å; L334-R354 CarbonylContact C-O 3.54Å; L334-R354 WeakPolarHBondContact CA-O 3.49Å; L334-R354 HydrophobicContact CD1-CB 3.75Å; L334-L447 HydrophobicContact CD1-CD1 4.47Å
335Y97.5Very high92.3Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-97.2127.8177.9-168.9-122000111.3G41 F236 L238 K279 F283 D343 W353 R354 T355 Y356G41-Y335 CarbonylContact O-C 3.37Å; G41-Y335 WeakPolarHBondContact O-CA 3.45Å; G41-Y335 WeakPolarHBondContact O-CD2 3.32Å; F236-Y335 HydrophobicContact CE2-CD2 4.14Å; F236-Y335 HydrophobicContact CE2-CE2 4.23Å; F236-Y335 HydrophobicContact CZ-CD2 4.28Å; L238-Y335 HydrophobicContact CB-CE2 3.98Å; L238-Y335 HydrophobicContact CD2-CE2 3.96Å; L238-Y335 HydrophobicContact CG-CE2 4.45Å; L238-Y335 PolarHBondContact O-OH 3.19Å; K279-Y335 PolarHBondContact NZ-OH 3.18Å; K279-Y335 VanDerWaalsContact NZ-OH 3.15Å; F283-Y335 HydrophobicContact CE2-CE1 4.19Å; F283-Y335 AromaticContact CZ-CD1 3.99Å; F283-Y335 HydrophobicContact CZ-CD1 3.99Å; F283-Y335 AromaticContact CZ-CE1 3.64Å; F283-Y335 HydrophobicContact CZ-CE1 3.64Å; Y335-D343 HydrophobicContact CD1-CB 4.22Å; Y335-D343 HydrophobicContact CE1-CB 3.69Å; Y335-W353 HydrophobicContact CD1-CE3 4.5Å; Y335-W353 HydrophobicContact CD2-CE3 4.37Å; Y335-W353 HydrophobicContact CD2-CZ3 4.02Å; Y335-W353 AromaticContact CG-CE3 3.95Å; Y335-W353 HydrophobicContact CG-CE3 3.95Å; Y335-W353 HydrophobicContact CG-CZ3 4.03Å; Y335-R354 PolarHBondContact N-O 3.11Å; Y335-T355 WeakPolarHBondContact O-CA 3.35Å; Y335-Y356 PolarHBondContact O-N 3.02Å
336V98.4Very high92Very high0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-110.3126.3-177.5-164.30000109G41 F42 D43 T47 Y356 I358 C452G41-V336 PolarHBondContact O-N 3.22Å; F42-V336 CarbonylContact C-O 3.52Å; F42-V336 WeakPolarHBondContact CA-O 3.47Å; F42-V336 HydrophobicContact CD1-CB 3.62Å; F42-V336 HydrophobicContact CD1-CG1 4.14Å; F42-V336 HydrophobicContact CD1-CG2 3.75Å; F42-V336 HydrophobicContact CE1-CB 3.91Å; F42-V336 HydrophobicContact CE1-CG1 4.27Å; F42-V336 HydrophobicContact CE1-CG2 3.55Å; F42-V336 HydrophobicContact CG-CB 4.39Å; F42-V336 HydrophobicContact CG-CG2 4.5Å; F42-V336 HydrophobicContact CZ-CG2 4.16Å; D43-V336 PolarHBondContact N-O 3.11Å; T47-V336 HydrophobicContact CG2-CB 4.29Å; T47-V336 HydrophobicContact CG2-CG1 3.94Å; V336-Y356 VanDerWaalsContact CA-O 3.27Å; V336-Y356 WeakPolarHBondContact CA-O 3.38Å; V336-Y356 HydrophobicContact CB-CD1 4.34Å; V336-Y356 HydrophobicContact CG1-CD1 3.7Å; V336-Y356 HydrophobicContact CG1-CE1 4.21Å; V336-Y356 HydrophobicContact CG1-CG 4.08Å; V336-Y356 WeakPolarHBondContact CG1-O 3.33Å; V336-Y356 HydrophobicContact CG2-CD1 3.75Å; V336-Y356 HydrophobicContact CG2-CG 4.36Å; V336-I358 HydrophobicContact CG1-CD1 3.71Å; V336-I358 HydrophobicContact CG1-CG1 3.76Å; V336-C452 HydrophobicContact CG1-CB 3.86Å
337G97Very high91.5Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-160.1166.8-178.300000111.7T47 Y356 L357 I358T47-G337 WeakPolarHBondContact OG1-CA 3.28Å; G337-Y356 PolarHBondContact N-O 3.4Å; G337-L357 CarbonylContact O-C 3.58Å; G337-L357 WeakPolarHBondContact O-CA 3.44Å; G337-I358 PolarHBondContact O-N 2.9Å
338D96Very high91.1Very high5 Ų531.7 Ų31.73%0.02714%0.142CC..SBendtrans-100.6-20.917977.6-61.1000112.5T47 R89 V340 D343 L357 I358T47-D338 PolarHBondContact OG1-N 2.94Å; R89-D338 PolarHBondContact NH1-O 3.46Å; D338-V340 PolarHBondContact O-N 2.89Å; D338-D343 PolarHBondContact N-OD2 3Å; D338-L357 WeakPolarHBondContact O-CD1 3.43Å; D338-I358 HydrophobicContact CB-CB 4.47Å
339H93.2Very high90.7Very high52 Ų5237.5 Ų37.524%0.24117%0.165CC..  trans-91.6108.2-174.2-170.1-8.7000111.9Y341 G342 D343 I344H339-Y341 VanDerWaalsContact C-N 3.3Å; H339-Y341 PolarHBondContact ND1-N 3.17Å; H339-Y341 VanDerWaalsContact ND1-N 3.16Å; H339-Y341 PolarHBondContact O-N 2.95Å; H339-G342 PolarHBondContact ND1-N 3.19Å; H339-D343 VanDerWaalsContact CB-OD2 3.29Å; H339-D343 WeakPolarHBondContact CB-OD2 3.28Å; H339-D343 PolarHBondContact N-OD2 3.05Å; H339-D343 WeakPolarHBondContact O-CA 3.36Å; H339-D343 VanDerWaalsContact O-CB 3.32Å; H339-D343 WeakPolarHBondContact O-CB 3.35Å; H339-D343 PolarHBondContact O-N 2.86Å; H339-I344 PolarHBondContact O-N 3.29Å
340V90.1Very high90.2Very high5 Ų531.8 Ų31.83%0.0315%0.153CC..Iπ-helixtrans-53.2-41.7179.3-176.70000113.5D338 I344 L345 L357 F437 Q440 Y444D338-V340 PolarHBondContact O-N 2.89Å; V340-I344 WeakPolarHBondContact O-CB 3.29Å; V340-L345 VanDerWaalsContact O-CB 3.31Å; V340-L345 WeakPolarHBondContact O-CB 3.4Å; V340-L345 PolarHBondContact O-N 3.45Å; V340-L357 HydrophobicContact CG2-CD1 4.09Å; V340-L357 HydrophobicContact CG2-CD2 3.78Å; V340-F437 HydrophobicContact CG2-CE2 4.1Å; V340-Q440 HydrophobicContact CG1-CB 3.89Å; V340-Y444 HydrophobicContact CG1-CD2 4.45Å
341Y86.7Confident89.9Confident105 Ų10532.6 Ų32.641%0.41215%0.153SC..Iπ-helixtrans-85.2-52.3-179.6-172.1-93.2000112.4P280 H339 L345 K346P280-Y341 HydrophobicContact CB-CD1 4.46Å; P280-Y341 HydrophobicContact CB-CE1 4.21Å; P280-Y341 HydrophobicContact CG-CD1 4.43Å; P280-Y341 HydrophobicContact CG-CE1 4Å; H339-Y341 VanDerWaalsContact C-N 3.3Å; H339-Y341 PolarHBondContact ND1-N 3.17Å; H339-Y341 VanDerWaalsContact ND1-N 3.16Å; H339-Y341 PolarHBondContact O-N 2.95Å; Y341-L345 HydrophobicContact CD2-CD1 3.99Å; Y341-L345 HydrophobicContact CE2-CD1 4.4Å; Y341-K346 VanDerWaalsContact CZ-CE 3.44Å; Y341-K346 WeakPolarHBondContact OH-CE 3.5Å; Y341-K346 PolarHBondContact OH-NZ 3.23Å
342G84.7Confident89.8Confident1 Ų127.6 Ų27.61%0.0114%0.14CC..Iπ-helixtrans-65.4-40.2-175.400000113.9F283 H339F283-G342 VanDerWaalsContact CD2-O 3.28Å; F283-G342 WeakPolarHBondContact CD2-O 3.28Å; F283-G342 VanDerWaalsContact CE2-O 3.24Å; F283-G342 WeakPolarHBondContact CE2-O 3.34Å; H339-G342 PolarHBondContact ND1-N 3.19Å
343D87.4Confident89.8Confident2 Ų226.4 Ų26.41%0.01113%0.134CC..Iπ-helixtrans-102.8-42.3-174.1-58.9-40.2000113.2K279 Y335 D338 H339 S347K279-D343 VanDerWaalsContact CD-OD1 3.31Å; K279-D343 WeakPolarHBondContact CD-OD1 3.25Å; K279-D343 VanDerWaalsContact CE-OD1 3.31Å; K279-D343 WeakPolarHBondContact CE-OD1 3.4Å; K279-D343 IonicContact NZ-OD1 3.74Å; K279-D343 PolarHBondContact NZ-OD1 3.2Å; Y335-D343 HydrophobicContact CD1-CB 4.22Å; Y335-D343 HydrophobicContact CE1-CB 3.69Å; D338-D343 PolarHBondContact N-OD2 3Å; H339-D343 VanDerWaalsContact CB-OD2 3.29Å; H339-D343 WeakPolarHBondContact CB-OD2 3.28Å; H339-D343 PolarHBondContact N-OD2 3.05Å; H339-D343 WeakPolarHBondContact O-CA 3.36Å; H339-D343 VanDerWaalsContact O-CB 3.32Å; H339-D343 WeakPolarHBondContact O-CB 3.35Å; H339-D343 PolarHBondContact O-N 2.86Å; D343-S347 WeakPolarHBondContact O-CB 3.49Å; D343-S347 PolarHBondContact O-OG 3.3Å
344I89.5Confident89.8Confident0 Ų029.5 Ų29.50%015%0.145CC..Iπ-helixtrans-96.5-53.9-165.5-53.2-57.1000112.1H339 V340 S347 K348 T355 L357 A445H339-I344 PolarHBondContact O-N 3.29Å; V340-I344 WeakPolarHBondContact O-CB 3.29Å; I344-S347 PolarHBondContact O-OG 3.42Å; I344-K348 VanDerWaalsContact O-CB 3.25Å; I344-K348 WeakPolarHBondContact O-CB 3.33Å; I344-K348 PolarHBondContact O-N 2.83Å; I344-T355 HydrophobicContact CB-CG2 4.49Å; I344-T355 HydrophobicContact CD1-CG2 4.25Å; I344-T355 HydrophobicContact CG2-CG2 3.93Å; I344-L357 HydrophobicContact CD1-CB 4.16Å; I344-L357 HydrophobicContact CD1-CD1 4.41Å; I344-L357 HydrophobicContact CG1-CB 4.13Å; I344-L357 HydrophobicContact CG1-CD1 3.84Å; I344-L357 HydrophobicContact CG1-CG 4.43Å; I344-A445 HydrophobicContact CG2-CB 4.29Å
345L87Confident89.7Confident14 Ų1429.5 Ų29.57%0.07315%0.145CC..Iπ-helixtrans-62.9-50-172.8-174.3158.8000111V340 Y341 K349 Y444V340-L345 VanDerWaalsContact O-CB 3.31Å; V340-L345 WeakPolarHBondContact O-CB 3.4Å; V340-L345 PolarHBondContact O-N 3.45Å; Y341-L345 HydrophobicContact CD2-CD1 3.99Å; Y341-L345 HydrophobicContact CE2-CD1 4.4Å; L345-K349 HydrophobicContact CD2-CD 3.89Å; L345-K349 HydrophobicContact CD2-CG 4.39Å; L345-K349 HydrophobicContact CG-CD 4.5Å; L345-K349 WeakPolarHBondContact O-CB 3.44Å; L345-K349 WeakPolarHBondContact O-CG 3.13Å; L345-K349 PolarHBondContact O-N 3.11Å; L345-Y444 HydrophobicContact CB-CD2 4.44Å; L345-Y444 HydrophobicContact CB-CG 4.33Å; L345-Y444 HydrophobicContact CD1-CD2 4.03Å; L345-Y444 HydrophobicContact CD1-CE1 4.09Å; L345-Y444 HydrophobicContact CD1-CE2 3.55Å; L345-Y444 HydrophobicContact CD1-CG 4.49Å; L345-Y444 HydrophobicContact CG-CD1 4.1Å; L345-Y444 HydrophobicContact CG-CD2 4.31Å; L345-Y444 HydrophobicContact CG-CE1 3.97Å; L345-Y444 HydrophobicContact CG-CE2 4.17Å; L345-Y444 HydrophobicContact CG-CG 4.28Å
346K85.8Confident89.8Confident35 Ų3529.5 Ų29.515%0.15215%0.145CC..Hα-helixtrans-73-40.7-175.8-65-71.5-176163.80112.3P280 F283 Q284 Y341 K348 K349 T350P280-K346 HydrophobicContact CB-CG 4Å; F283-K346 HydrophobicContact CB-CB 3.77Å; F283-K346 HydrophobicContact CD2-CB 4.35Å; F283-K346 HydrophobicContact CG-CB 4.33Å; Q284-K346 VanDerWaalsContact NE2-NZ 3.17Å; Y341-K346 VanDerWaalsContact CZ-CE 3.44Å; Y341-K346 WeakPolarHBondContact OH-CE 3.5Å; Y341-K346 PolarHBondContact OH-NZ 3.23Å; K346-K348 VanDerWaalsContact C-N 3.29Å; K346-K348 PolarHBondContact O-N 3.4Å; K346-K349 PolarHBondContact O-N 3.27Å; K346-T350 WeakPolarHBondContact O-CB 3.28Å; K346-T350 PolarHBondContact O-N 3.39Å; K346-T350 PolarHBondContact O-OG1 3Å; K346-T350 VanDerWaalsContact O-OG1 3.11Å
347S82.6Confident89.7Confident0 Ų029.5 Ų29.50%015%0.145CC..Hα-helixtrans-63.7-35.6175.568.30000112.3D343 I344 V351 G352 W353 T355D343-S347 WeakPolarHBondContact O-CB 3.49Å; D343-S347 PolarHBondContact O-OG 3.3Å; I344-S347 PolarHBondContact O-OG 3.42Å; S347-V351 WeakPolarHBondContact O-CG2 3.38Å; S347-V351 PolarHBondContact O-N 2.91Å; S347-G352 PolarHBondContact O-N 3.02Å; S347-W353 PolarHBondContact O-N 3.46Å; S347-T355 WeakPolarHBondContact OG-CG2 3.48Å
348K84.3Confident89.8Confident51 Ų5129.5 Ų29.522%0.22215%0.145CC..Hα-helixtrans-74-48177-175.9164.7-180161.90112.9I344 K346 G352 T355 Y444 D446I344-K348 VanDerWaalsContact O-CB 3.25Å; I344-K348 WeakPolarHBondContact O-CB 3.33Å; I344-K348 PolarHBondContact O-N 2.83Å; K346-K348 VanDerWaalsContact C-N 3.29Å; K346-K348 PolarHBondContact O-N 3.4Å; K348-G352 WeakPolarHBondContact O-CA 3.4Å; K348-G352 PolarHBondContact O-N 3.5Å; K348-T355 HydrophobicContact CB-CG2 4.17Å; K348-Y444 WeakPolarHBondContact CD-O 3.42Å; K348-Y444 WeakPolarHBondContact CE-O 3.46Å; K348-Y444 PolarHBondContact NZ-O 3.16Å; K348-D446 IonicContact NZ-OD1 3.08Å; K348-D446 PolarHBondContact NZ-OD1 3.33Å
349K83.3Confident89.9Confident131 Ų13129.3 Ų29.357%0.5714%0.144SC*.Hα-helixtrans-70.7-44.1-175.9-75.1-165.6179.2-168.80112.7L345 K346L345-K349 HydrophobicContact CD2-CD 3.89Å; L345-K349 HydrophobicContact CD2-CG 4.39Å; L345-K349 HydrophobicContact CG-CD 4.5Å; L345-K349 WeakPolarHBondContact O-CB 3.44Å; L345-K349 WeakPolarHBondContact O-CG 3.13Å; L345-K349 PolarHBondContact O-N 3.11Å; K346-K349 PolarHBondContact O-N 3.27Å
350T80.1Confident90Very high83 Ų8328.7 Ų28.751%0.50915%0.145SC..Hα-helixtrans-85-38.8-171.1-45.80000112.5F283 K346F283-T350 WeakPolarHBondContact O-CB 3.33Å; F283-T350 WeakPolarHBondContact O-CG2 3.48Å; F283-T350 PolarHBondContact O-OG1 2.68Å; K346-T350 WeakPolarHBondContact O-CB 3.28Å; K346-T350 PolarHBondContact O-N 3.39Å; K346-T350 PolarHBondContact O-OG1 3Å; K346-T350 VanDerWaalsContact O-OG1 3.11Å
351V82.8Confident90.3Very high39 Ų3930.5 Ų30.524%0.23615%0.153CC..Hα-helixtrans-122-6-170.3-60.80000114.3C319 G330 S347 W353C319-V351 HydrophobicContact CB-CG1 4.26Å; G330-V351 VanDerWaalsContact CA-O 3.23Å; G330-V351 WeakPolarHBondContact CA-O 3.42Å; S347-V351 WeakPolarHBondContact O-CG2 3.38Å; S347-V351 PolarHBondContact O-N 2.91Å; V351-W353 VanDerWaalsContact C-N 3.26Å; V351-W353 HydrophobicContact CG2-CB 4.25Å; V351-W353 HydrophobicContact CG2-CD2 3.92Å; V351-W353 HydrophobicContact CG2-CG 3.64Å; V351-W353 PolarHBondContact O-N 3.3Å
352G89.7Confident90.7Very high30 Ų3026 Ų2631%0.30914%0.136SC..  trans68.821.7176.500000114.5G330 K331 S347 K348G330-G352 CarbonylContact C-O 3.57Å; G330-G352 VanDerWaalsContact C-O 3.3Å; K331-G352 PolarHBondContact N-O 3.23Å; S347-G352 PolarHBondContact O-N 3.02Å; K348-G352 WeakPolarHBondContact O-CA 3.4Å; K348-G352 PolarHBondContact O-N 3.5Å
353W94.8Very high91.2Very high2 Ų228.2 Ų28.21%0.00815%0.154CC..  trans-61.8146.2172.6-72.76.9000110.5F236 L238 F283 C319 F322 G330 V333 Y335 S347 V351F236-W353 HydrophobicContact CE2-CH2 4.1Å; F236-W353 HydrophobicContact CE2-CZ3 4.18Å; F236-W353 AromaticContact CZ-CH2 3.7Å; F236-W353 HydrophobicContact CZ-CH2 3.7Å; F236-W353 AromaticContact CZ-CZ3 3.8Å; F236-W353 HydrophobicContact CZ-CZ3 3.8Å; L238-W353 HydrophobicContact CD2-CZ3 4.45Å; F283-W353 AromaticContact CE1-CE3 3.89Å; F283-W353 HydrophobicContact CE1-CE3 3.89Å; F283-W353 HydrophobicContact CE1-CH2 4.29Å; F283-W353 AromaticContact CE1-CZ3 3.66Å; F283-W353 HydrophobicContact CE1-CZ3 3.66Å; F283-W353 HydrophobicContact CZ-CZ3 4.25Å; C319-W353 WeakPolarHBondContact SG-CZ2 3.4Å; F322-W353 HydrophobicContact CD1-CH2 4.27Å; F322-W353 HydrophobicContact CD1-CZ2 4.49Å; F322-W353 HydrophobicContact CE1-CH2 4.41Å; G330-W353 WeakPolarHBondContact O-CA 3.24Å; V333-W353 HydrophobicContact CB-CB 4.33Å; V333-W353 HydrophobicContact CB-CD2 3.88Å; V333-W353 HydrophobicContact CB-CG 3.78Å; V333-W353 HydrophobicContact CG1-CD2 3.63Å; V333-W353 HydrophobicContact CG1-CE3 3.79Å; V333-W353 HydrophobicContact CG1-CG 4.01Å; V333-W353 HydrophobicContact CG1-CH2 4.4Å; V333-W353 HydrophobicContact CG1-CZ2 4.29Å; V333-W353 HydrophobicContact CG1-CZ3 4.17Å; V333-W353 HydrophobicContact CG2-CD2 4.25Å; V333-W353 HydrophobicContact CG2-CG 4.31Å; V333-W353 HydrophobicContact CG2-CZ2 4.27Å; Y335-W353 HydrophobicContact CD1-CE3 4.5Å; Y335-W353 HydrophobicContact CD2-CE3 4.37Å; Y335-W353 HydrophobicContact CD2-CZ3 4.02Å; Y335-W353 AromaticContact CG-CE3 3.95Å; Y335-W353 HydrophobicContact CG-CE3 3.95Å; Y335-W353 HydrophobicContact CG-CZ3 4.03Å; S347-W353 PolarHBondContact O-N 3.46Å; V351-W353 VanDerWaalsContact C-N 3.26Å; V351-W353 HydrophobicContact CG2-CB 4.25Å; V351-W353 HydrophobicContact CG2-CD2 3.92Å; V351-W353 HydrophobicContact CG2-CG 3.64Å; V351-W353 PolarHBondContact O-N 3.3Å
354R96.4Very high91.6Very high65 Ų6531.7 Ų31.725%0.24517%0.172CC..EExtended strand (participates in β ladder)trans-73.6147166.9-61.4-57.9-166.7-151.110.5109.3L32 I37 V333 L334 Y335 D446L32-R354 HydrophobicContact CD1-CB 3.49Å; L32-R354 VanDerWaalsContact CD1-CB 3.49Å; L32-R354 HydrophobicContact CD1-CG 3.57Å; I37-R354 HydrophobicContact CD1-CB 4.4Å; I37-R354 HydrophobicContact CD1-CG 4.08Å; V333-R354 WeakPolarHBondContact O-CA 3.29Å; V333-R354 VanDerWaalsContact O-CB 3.28Å; V333-R354 WeakPolarHBondContact O-CB 3.48Å; V333-R354 PolarHBondContact O-N 3.17Å; L334-R354 CarbonylContact C-O 3.54Å; L334-R354 WeakPolarHBondContact CA-O 3.49Å; L334-R354 HydrophobicContact CD1-CB 3.75Å; Y335-R354 PolarHBondContact N-O 3.11Å; R354-D446 VanDerWaalsContact CA-OD2 3.28Å; R354-D446 WeakPolarHBondContact CA-OD2 3.29Å
355T97.2Very high91.8Very high0 Ų032.6 Ų32.60%018%0.177CC..EExtended strand (participates in β ladder)trans-126.1138.4-170.351.70000113Y335 I344 S347 K348 Y444 D446 L447Y335-T355 WeakPolarHBondContact O-CA 3.35Å; I344-T355 HydrophobicContact CB-CG2 4.49Å; I344-T355 HydrophobicContact CD1-CG2 4.25Å; I344-T355 HydrophobicContact CG2-CG2 3.93Å; S347-T355 WeakPolarHBondContact OG-CG2 3.48Å; K348-T355 HydrophobicContact CB-CG2 4.17Å; T355-Y444 PolarHBondContact OG1-O 3.32Å; T355-D446 PolarHBondContact N-OD2 2.99Å; T355-D446 WeakPolarHBondContact O-CB 3.36Å; T355-D446 PolarHBondContact O-N 3.4Å; T355-D446 PolarHBondContact OG1-N 3.01Å; T355-D446 PolarHBondContact OG1-OD2 3.21Å; T355-L447 PolarHBondContact O-N 3.08Å
356Y98Very high92.2Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-130.7103.7175.3178.8-159.7000110.2I26 Y335 V336 G337 I358 L447 S449 S451 L455I26-Y356 HydrophobicContact CD1-CE1 4.13Å; I26-Y356 HydrophobicContact CD1-CE2 4.5Å; I26-Y356 WeakPolarHBondContact CD1-OH 3.28Å; I26-Y356 HydrophobicContact CG1-CE2 4.39Å; I26-Y356 WeakPolarHBondContact CG1-OH 3.46Å; I26-Y356 HydrophobicContact CG2-CD2 4.49Å; I26-Y356 HydrophobicContact CG2-CE2 3.97Å; Y335-Y356 PolarHBondContact O-N 3.02Å; V336-Y356 VanDerWaalsContact CA-O 3.27Å; V336-Y356 WeakPolarHBondContact CA-O 3.38Å; V336-Y356 HydrophobicContact CB-CD1 4.34Å; V336-Y356 HydrophobicContact CG1-CD1 3.7Å; V336-Y356 HydrophobicContact CG1-CE1 4.21Å; V336-Y356 HydrophobicContact CG1-CG 4.08Å; V336-Y356 WeakPolarHBondContact CG1-O 3.33Å; V336-Y356 HydrophobicContact CG2-CD1 3.75Å; V336-Y356 HydrophobicContact CG2-CG 4.36Å; G337-Y356 PolarHBondContact N-O 3.4Å; Y356-I358 HydrophobicContact CD2-CD1 4.36Å; Y356-I358 HydrophobicContact CE1-CD1 4.29Å; Y356-I358 HydrophobicContact CE2-CD1 3.99Å; Y356-L447 CarbonylContact C-O 3.59Å; Y356-L447 WeakPolarHBondContact CA-O 3.47Å; Y356-L447 HydrophobicContact CD2-CB 3.7Å; Y356-L447 HydrophobicContact CE2-CB 4.44Å; Y356-L447 HydrophobicContact CG-CB 4.07Å; Y356-S449 WeakPolarHBondContact CE2-OG 3.27Å; Y356-S449 VanDerWaalsContact CZ-OG 3.3Å; Y356-S449 WeakPolarHBondContact OH-CB 3.36Å; Y356-S449 PolarHBondContact OH-OG 2.99Å; Y356-S451 PolarHBondContact OH-O 3.49Å; Y356-L455 HydrophobicContact CD1-CD1 3.95Å; Y356-L455 HydrophobicContact CD1-CG 4.25Å; Y356-L455 HydrophobicContact CE1-CD1 3.68Å; Y356-L455 HydrophobicContact CE1-CD2 4.25Å; Y356-L455 HydrophobicContact CE1-CG 3.63Å
357L98.1Very high92.7Very high0 Ų037.8 Ų37.80%020%0.197CC..EExtended strand (participates in β ladder)trans-87.8131.2-174175.962.5000112.1G337 D338 V340 I344 I359 V441 A445 L447 Y448 S449G337-L357 CarbonylContact O-C 3.58Å; G337-L357 WeakPolarHBondContact O-CA 3.44Å; D338-L357 WeakPolarHBondContact O-CD1 3.43Å; V340-L357 HydrophobicContact CG2-CD1 4.09Å; V340-L357 HydrophobicContact CG2-CD2 3.78Å; I344-L357 HydrophobicContact CD1-CB 4.16Å; I344-L357 HydrophobicContact CD1-CD1 4.41Å; I344-L357 HydrophobicContact CG1-CB 4.13Å; I344-L357 HydrophobicContact CG1-CD1 3.84Å; I344-L357 HydrophobicContact CG1-CG 4.43Å; L357-I359 HydrophobicContact CD2-CD1 3.8Å; L357-I359 HydrophobicContact CD2-CG1 3.98Å; L357-I359 HydrophobicContact CG-CD1 4.09Å; L357-I359 HydrophobicContact CG-CG1 3.76Å; L357-V441 HydrophobicContact CD2-CB 4.36Å; L357-V441 HydrophobicContact CD2-CG1 4.19Å; L357-V441 HydrophobicContact CD2-CG2 3.76Å; L357-A445 HydrophobicContact CB-CB 3.74Å; L357-A445 HydrophobicContact CD2-CB 4.14Å; L357-L447 PolarHBondContact N-O 3.4Å; L357-Y448 WeakPolarHBondContact O-CA 3.44Å; L357-Y448 WeakPolarHBondContact O-CB 3.2Å; L357-S449 PolarHBondContact O-N 3.42Å; L357-S449 VanDerWaalsContact O-N 3.1Å
358I98Very high93.2Very high0 Ų038.2 Ų38.20%020%0.2CC..EExtended strand (participates in β ladder)trans-95.3124.3175.1-53.5-49.6000110.2T47 V336 G337 D338 Y356 P360 S449 C452T47-I358 HydrophobicContact CG2-CG1 4.29Å; V336-I358 HydrophobicContact CG1-CD1 3.71Å; V336-I358 HydrophobicContact CG1-CG1 3.76Å; G337-I358 PolarHBondContact O-N 2.9Å; D338-I358 HydrophobicContact CB-CB 4.47Å; Y356-I358 HydrophobicContact CD2-CD1 4.36Å; Y356-I358 HydrophobicContact CE1-CD1 4.29Å; Y356-I358 HydrophobicContact CE2-CD1 3.99Å; I358-P360 HydrophobicContact CG2-CG 4.39Å; I358-S449 CarbonylContact C-O 3.55Å; I358-S449 WeakPolarHBondContact CA-O 3.05Å; I358-C452 HydrophobicContact CD1-CB 3.92Å; I358-C452 HydrophobicContact CG1-CB 4.37Å
359I97.3Very high93.6Very high0 Ų042.5 Ų42.50%022%0.215CC..  trans-133.383.3-178.2-46.5174.5000108.3L357 E361 L362 F428 F437 V441 Y448 S449 F450L357-I359 HydrophobicContact CD2-CD1 3.8Å; L357-I359 HydrophobicContact CD2-CG1 3.98Å; L357-I359 HydrophobicContact CG-CD1 4.09Å; L357-I359 HydrophobicContact CG-CG1 3.76Å; I359-E361 HydrophobicContact CG2-CB 4.5Å; I359-E361 WeakPolarHBondContact CG2-OE2 3.44Å; I359-E361 PolarHBondContact O-N 3.41Å; I359-E361 VanDerWaalsContact O-N 3.11Å; I359-L362 HydrophobicContact CB-CB 4.27Å; I359-L362 HydrophobicContact CG2-CB 4.4Å; I359-L362 WeakPolarHBondContact O-CB 3.45Å; I359-L362 PolarHBondContact O-N 3.16Å; I359-F428 HydrophobicContact CD1-CE1 4.02Å; I359-F428 HydrophobicContact CD1-CZ 3.93Å; I359-F428 HydrophobicContact CG2-CZ 3.95Å; I359-F437 HydrophobicContact CD1-CE1 4.18Å; I359-F437 HydrophobicContact CD1-CZ 4.32Å; I359-F437 HydrophobicContact CG2-CE1 4.13Å; I359-F437 HydrophobicContact CG2-CZ 4.13Å; I359-V441 HydrophobicContact CD1-CG1 3.95Å; I359-V441 HydrophobicContact CD1-CG2 3.72Å; I359-Y448 HydrophobicContact CD1-CD2 4.13Å; I359-S449 PolarHBondContact N-O 3.37Å; I359-F450 VanDerWaalsContact O-CA 3.26Å; I359-F450 WeakPolarHBondContact O-CA 3.32Å
360P96.3Very high94Very high39 Ų3941.9 Ų41.925%0.25321%0.212SC..THydrogen-bonded Turntrans-52.2-35.5-176.4-28.637.4000113.7L146 I358 L362 A363L146-P360 HydrophobicContact CD1-CG 4.01Å; I358-P360 HydrophobicContact CG2-CG 4.39Å; P360-L362 PolarHBondContact O-N 2.68Å; P360-L362 VanDerWaalsContact O-N 3.11Å; P360-A363 WeakPolarHBondContact O-CB 3.4Å; P360-A363 PolarHBondContact O-N 2.92Å; P360-A363 VanDerWaalsContact O-N 3.08Å
361E95.7Very high94.7Very high44 Ų4444.1 Ų44.121%0.20621%0.214CC..THydrogen-bonded Turntrans-60.1-23.4178-54.696.4131.400113.2R89 L146 I359 A363 N364 E365R89-E361 IonicContact CZ-OE1 2.72Å; R89-E361 IonicContact CZ-OE2 2.74Å; R89-E361 IonicContact NE-OE1 2.83Å; R89-E361 PolarHBondContact NE-OE1 2.89Å; R89-E361 IonicContact NE-OE2 3.42Å; R89-E361 IonicContact NH2-OE1 3.15Å; R89-E361 PolarHBondContact NH2-OE1 3.42Å; R89-E361 IonicContact NH2-OE2 3.03Å; R89-E361 PolarHBondContact NH2-OE2 2.78Å; L146-E361 WeakPolarHBondContact CD2-OE1 3.2Å; I359-E361 HydrophobicContact CG2-CB 4.5Å; I359-E361 WeakPolarHBondContact CG2-OE2 3.44Å; I359-E361 PolarHBondContact O-N 3.41Å; I359-E361 VanDerWaalsContact O-N 3.11Å; E361-A363 PolarHBondContact O-N 2.84Å; E361-A363 VanDerWaalsContact O-N 3.14Å; E361-N364 PolarHBondContact O-N 3.3Å; E361-E365 WeakPolarHBondContact O-CG 3.46Å; E361-E365 PolarHBondContact O-N 3.3Å
362L96.6Very high95.3Very high11 Ų1145.7 Ų45.76%0.05822%0.218CC..Hα-helixtrans-57.6-28.7176.1-178.465.9000112F27 I359 P360 E365 I366 F428 Y448 F450F27-L362 HydrophobicContact CD2-CD2 3.77Å; F27-L362 HydrophobicContact CE2-CD2 3.76Å; F27-L362 HydrophobicContact CE2-CG 4.48Å; I359-L362 HydrophobicContact CB-CB 4.27Å; I359-L362 HydrophobicContact CG2-CB 4.4Å; I359-L362 WeakPolarHBondContact O-CB 3.45Å; I359-L362 PolarHBondContact O-N 3.16Å; P360-L362 PolarHBondContact O-N 2.68Å; P360-L362 VanDerWaalsContact O-N 3.11Å; L362-E365 PolarHBondContact O-N 2.84Å; L362-I366 HydrophobicContact CD1-CD1 4.02Å; L362-I366 HydrophobicContact CD1-CG1 4.12Å; L362-I366 HydrophobicContact CD2-CD1 4.28Å; L362-I366 HydrophobicContact CG-CD1 3.71Å; L362-I366 HydrophobicContact CG-CG1 4.27Å; L362-I366 WeakPolarHBondContact O-CB 3.32Å; L362-I366 WeakPolarHBondContact O-CD1 3.31Å; L362-I366 VanDerWaalsContact O-CG1 3.25Å; L362-I366 WeakPolarHBondContact O-CG1 3.44Å; L362-I366 PolarHBondContact O-N 3.07Å; L362-F428 HydrophobicContact CB-CE2 4.35Å; L362-F428 HydrophobicContact CB-CZ 4.39Å; L362-F428 HydrophobicContact CD1-CE2 3.67Å; L362-F428 HydrophobicContact CD1-CZ 3.86Å; L362-Y448 HydrophobicContact CD1-CE2 4.37Å; L362-Y448 HydrophobicContact CD2-CD2 3.84Å; L362-Y448 HydrophobicContact CD2-CE2 3.99Å; L362-F450 HydrophobicContact CB-CB 4.19Å
363A95Very high95.5Very high46 Ų4650.2 Ų50.238%0.3823%0.229SC..Hα-helixtrans-61.2-47.5175.100000111.6P360 E361 Y367 F450P360-A363 WeakPolarHBondContact O-CB 3.4Å; P360-A363 PolarHBondContact O-N 2.92Å; P360-A363 VanDerWaalsContact O-N 3.08Å; E361-A363 PolarHBondContact O-N 2.84Å; E361-A363 VanDerWaalsContact O-N 3.14Å; A363-Y367 WeakPolarHBondContact O-CB 3.46Å; A363-Y367 PolarHBondContact O-N 3.14Å; A363-Y367 VanDerWaalsContact O-N 3.08Å; A363-F450 HydrophobicContact CB-CB 4.06Å; A363-F450 HydrophobicContact CB-CD1 4.45Å; A363-F450 HydrophobicContact CB-CD2 4.4Å; A363-F450 HydrophobicContact CB-CG 4.05Å
364N94.3Very high95.5Very high75 Ų7554 Ų5440%0.40126%0.256SS..Hα-helixtrans-66.3-42.9176.5-174.948.4000111.1E361 I366 Y367 V368E361-N364 PolarHBondContact O-N 3.3Å; N364-I366 VanDerWaalsContact C-N 3.34Å; N364-I366 PolarHBondContact O-N 3.31Å; N364-Y367 WeakPolarHBondContact O-CB 3.41Å; N364-Y367 PolarHBondContact O-N 2.7Å; N364-Y367 VanDerWaalsContact O-N 3.08Å; N364-V368 WeakPolarHBondContact O-CG2 3.41Å; N364-V368 PolarHBondContact O-N 2.84Å
365E95.3Very high95.3Very high19 Ų1951.5 Ų51.59%0.08925%0.248CC..Hα-helixtrans-56.6-46.7178.5-72.8-83.2170.100112.2E361 L362 Y367 W369 Y421 S426 I427 F428E361-E365 WeakPolarHBondContact O-CG 3.46Å; E361-E365 PolarHBondContact O-N 3.3Å; L362-E365 PolarHBondContact O-N 2.84Å; E365-Y367 VanDerWaalsContact C-N 3.35Å; E365-Y367 PolarHBondContact O-N 2.79Å; E365-W369 VanDerWaalsContact O-CB 3.22Å; E365-W369 WeakPolarHBondContact O-CB 3.24Å; E365-W369 PolarHBondContact O-N 3.17Å; E365-Y421 HydrophobicContact CB-CE1 4.47Å; E365-Y421 HydrophobicContact CG-CD1 4.42Å; E365-Y421 WeakPolarHBondContact OE2-CD1 3.44Å; E365-Y421 WeakPolarHBondContact OE2-CE1 3.32Å; E365-S426 WeakPolarHBondContact OE1-CA 3.32Å; E365-S426 WeakPolarHBondContact OE1-CB 3.35Å; E365-S426 PolarHBondContact OE1-OG 2.96Å; E365-S426 PolarHBondContact OE2-OG 3.06Å; E365-I427 HydrophobicContact CG-CG2 4.06Å; E365-I427 WeakPolarHBondContact OE1-CG2 3.42Å; E365-I427 PolarHBondContact OE1-N 3.17Å; E365-F428 HydrophobicContact CB-CD2 4.21Å; E365-F428 HydrophobicContact CB-CE2 4.19Å; E365-F428 HydrophobicContact CG-CD2 3.69Å; E365-F428 HydrophobicContact CG-CE2 3.78Å
366I95.2Very high94.8Very high29 Ų2953.3 Ų53.315%0.14926%0.255CS..Hα-helixtrans-65.5-39.5176.4-71.6165.9000111.5T22 F27 L362 N364 K370T22-I366 HydrophobicContact CG2-CD1 4.07Å; T22-I366 HydrophobicContact CG2-CG1 4.45Å; T22-I366 HydrophobicContact CG2-CG2 3.42Å; T22-I366 VanDerWaalsContact CG2-CG2 3.42Å; F27-I366 HydrophobicContact CE2-CD1 3.64Å; F27-I366 HydrophobicContact CZ-CD1 3.56Å; F27-I366 HydrophobicContact CZ-CG1 4.37Å; L362-I366 HydrophobicContact CD1-CD1 4.02Å; L362-I366 HydrophobicContact CD1-CG1 4.12Å; L362-I366 HydrophobicContact CD2-CD1 4.28Å; L362-I366 HydrophobicContact CG-CD1 3.71Å; L362-I366 HydrophobicContact CG-CG1 4.27Å; L362-I366 WeakPolarHBondContact O-CB 3.32Å; L362-I366 WeakPolarHBondContact O-CD1 3.31Å; L362-I366 VanDerWaalsContact O-CG1 3.25Å; L362-I366 WeakPolarHBondContact O-CG1 3.44Å; L362-I366 PolarHBondContact O-N 3.07Å; N364-I366 VanDerWaalsContact C-N 3.34Å; N364-I366 PolarHBondContact O-N 3.31Å; I366-K370 WeakPolarHBondContact O-CG 3.48Å; I366-K370 PolarHBondContact O-N 2.76Å; I366-K370 VanDerWaalsContact O-N 3.12Å
367Y95Very high94.6Very high130 Ų13057 Ų5751%0.5128%0.275SS..Hα-helixtrans-63-50.1178.9172.4-100000110.9A363 N364 E365 K370 K371A363-Y367 WeakPolarHBondContact O-CB 3.46Å; A363-Y367 PolarHBondContact O-N 3.14Å; A363-Y367 VanDerWaalsContact O-N 3.08Å; N364-Y367 WeakPolarHBondContact O-CB 3.41Å; N364-Y367 PolarHBondContact O-N 2.7Å; N364-Y367 VanDerWaalsContact O-N 3.08Å; E365-Y367 VanDerWaalsContact C-N 3.35Å; E365-Y367 PolarHBondContact O-N 2.79Å; Y367-K370 PolarHBondContact O-N 3.4Å; Y367-K371 HydrophobicContact CE1-CD 3.64Å; Y367-K371 VanDerWaalsContact O-CB 3.28Å; Y367-K371 WeakPolarHBondContact O-CB 3.16Å; Y367-K371 PolarHBondContact O-N 3.4Å; Y367-K371 WeakPolarHBondContact OH-CD 3.41Å; Y367-K371 PolarHBondContact OH-NZ 3.12Å; Y367-K371 VanDerWaalsContact OH-NZ 3.11Å
368V94.2Very high94.4Very high8 Ų861.1 Ų61.15%0.04830%0.295CS..Hα-helixtrans-62.5-46.1177.6176.20000110.6N364 K370 K371 K372 S420 Y421N364-V368 WeakPolarHBondContact O-CG2 3.41Å; N364-V368 PolarHBondContact O-N 2.84Å; V368-K370 PolarHBondContact O-N 2.79Å; V368-K371 PolarHBondContact O-N 3.14Å; V368-K371 VanDerWaalsContact O-N 3.16Å; V368-K372 HydrophobicContact CG1-CG 3.98Å; V368-K372 WeakPolarHBondContact O-CB 3.09Å; V368-K372 PolarHBondContact O-N 3.49Å; V368-S420 WeakPolarHBondContact CG2-O 3.22Å; V368-Y421 HydrophobicContact CB-CD1 3.82Å; V368-Y421 HydrophobicContact CB-CE1 3.54Å; V368-Y421 HydrophobicContact CB-CG 4.5Å; V368-Y421 HydrophobicContact CG1-CD1 3.81Å; V368-Y421 HydrophobicContact CG1-CD2 4.05Å; V368-Y421 HydrophobicContact CG1-CE1 3.53Å; V368-Y421 HydrophobicContact CG1-CE2 3.78Å; V368-Y421 HydrophobicContact CG1-CG 4.05Å; V368-Y421 HydrophobicContact CG2-CD1 4.13Å; V368-Y421 HydrophobicContact CG2-CE1 4.35Å
369W92.1Very high94.1Very high142 Ų14262.6 Ų62.654%0.53830%0.302SS..Hα-helixtrans-51-44.3175.9178.2-85.9000112.4E365 F376E365-W369 VanDerWaalsContact O-CB 3.22Å; E365-W369 WeakPolarHBondContact O-CB 3.24Å; E365-W369 PolarHBondContact O-N 3.17Å; W369-F376 HydrophobicContact CD2-CE2 4.28Å; W369-F376 HydrophobicContact CD2-CZ 4.06Å; W369-F376 AromaticContact CE3-CE1 3.67Å; W369-F376 HydrophobicContact CE3-CE1 3.67Å; W369-F376 AromaticContact CE3-CE2 3.97Å; W369-F376 HydrophobicContact CE3-CE2 3.97Å; W369-F376 AromaticContact CE3-CZ 3.3Å; W369-F376 HydrophobicContact CE3-CZ 3.3Å; W369-F376 HydrophobicContact CH2-CD1 4.08Å; W369-F376 AromaticContact CH2-CE1 3.76Å; W369-F376 HydrophobicContact CH2-CE1 3.76Å; W369-F376 HydrophobicContact CH2-CZ 4.23Å; W369-F376 AromaticContact CZ3-CD1 3.99Å; W369-F376 HydrophobicContact CZ3-CD1 3.99Å; W369-F376 AromaticContact CZ3-CE1 3.21Å; W369-F376 HydrophobicContact CZ3-CE1 3.21Å; W369-F376 HydrophobicContact CZ3-CE2 4.33Å; W369-F376 AromaticContact CZ3-CZ 3.42Å; W369-F376 HydrophobicContact CZ3-CZ 3.42Å; W369-F376 VanDerWaalsContact CZ3-CZ 3.42Å
370K93Very high93.8Very high118 Ų11868.1 Ų68.151%0.51333%0.328SS..Hα-helixtrans-74.6-45.6177.7-73-178174.9-171.40112.9T22 I366 Y367 V368 K372 K373T22-K370 VanDerWaalsContact OG1-CE 3.29Å; T22-K370 WeakPolarHBondContact OG1-CE 3.25Å; T22-K370 PolarHBondContact OG1-NZ 3.05Å; I366-K370 WeakPolarHBondContact O-CG 3.48Å; I366-K370 PolarHBondContact O-N 2.76Å; I366-K370 VanDerWaalsContact O-N 3.12Å; Y367-K370 PolarHBondContact O-N 3.4Å; V368-K370 PolarHBondContact O-N 2.79Å; K370-K372 VanDerWaalsContact C-N 3.31Å; K370-K372 PolarHBondContact O-N 2.92Å; K370-K373 PolarHBondContact O-N 3.04Å
371K94.8Very high93.7Very high129 Ų12973 Ų7356%0.56135%0.345SS*.Hα-helixtrans-65.3-36.5-175.5-177.6177.4-173.9173.80111.9Y367 V368Y367-K371 HydrophobicContact CE1-CD 3.64Å; Y367-K371 VanDerWaalsContact O-CB 3.28Å; Y367-K371 WeakPolarHBondContact O-CB 3.16Å; Y367-K371 PolarHBondContact O-N 3.4Å; Y367-K371 WeakPolarHBondContact OH-CD 3.41Å; Y367-K371 PolarHBondContact OH-NZ 3.12Å; Y367-K371 VanDerWaalsContact OH-NZ 3.11Å; V368-K371 PolarHBondContact O-N 3.14Å; V368-K371 VanDerWaalsContact O-N 3.16Å
372K93.9Very high93.5Very high73 Ų7371.2 Ų71.232%0.31734%0.337SS..THydrogen-bonded Turntrans-10022.5-175.7-60.8-66.2-173.2159.60113V368 K370 S374 L375 F376 S420V368-K372 HydrophobicContact CG1-CG 3.98Å; V368-K372 WeakPolarHBondContact O-CB 3.09Å; V368-K372 PolarHBondContact O-N 3.49Å; K370-K372 VanDerWaalsContact C-N 3.31Å; K370-K372 PolarHBondContact O-N 2.92Å; K372-S374 PolarHBondContact O-N 2.89Å; K372-S374 VanDerWaalsContact O-N 3.07Å; K372-L375 HydrophobicContact CB-CD1 4.2Å; K372-L375 HydrophobicContact CD-CD1 4.19Å; K372-L375 WeakPolarHBondContact O-CB 3.29Å; K372-L375 PolarHBondContact O-N 3.45Å; K372-F376 WeakPolarHBondContact O-CD2 3.25Å; K372-S420 VanDerWaalsContact CE-OG 3.28Å; K372-S420 WeakPolarHBondContact CE-OG 3.4Å
373K93.5Very high93.2Very high125 Ų12573.8 Ų73.854%0.54335%0.351SS..Hα-helixtrans-47.3-40.4178.6-175.5-173.4171.7-173.70112.9K370 L375 F376 D377K370-K373 PolarHBondContact O-N 3.04Å; K373-L375 PolarHBondContact O-N 2.77Å; K373-F376 WeakPolarHBondContact O-CA 3.45Å; K373-F376 WeakPolarHBondContact O-CB 3.4Å; K373-F376 PolarHBondContact O-N 3.33Å; K373-D377 WeakPolarHBondContact CE-OD1 3.45Å; K373-D377 WeakPolarHBondContact CE-OD2 2.97Å; K373-D377 PolarHBondContact O-N 3.04Å
374S95.3Very high93Very high81 Ų8175 Ų7557%0.56635%0.351SS*.Hα-helixtrans-57.3-34.4179.758.30000113.8K372 E378K372-S374 PolarHBondContact O-N 2.89Å; K372-S374 VanDerWaalsContact O-N 3.07Å; S374-E378 WeakPolarHBondContact O-CB 3.32Å; S374-E378 PolarHBondContact O-N 2.81Å
375L92.3Very high92.9Very high13 Ų1374.8 Ų74.87%0.06835%0.35CS..Hα-helixtrans-69.2-35.9176.5-64.2-179.9000111.4K372 K373 L379 V413 Q416 M417K372-L375 HydrophobicContact CB-CD1 4.2Å; K372-L375 HydrophobicContact CD-CD1 4.19Å; K372-L375 WeakPolarHBondContact O-CB 3.29Å; K372-L375 PolarHBondContact O-N 3.45Å; K373-L375 PolarHBondContact O-N 2.77Å; L375-L379 WeakPolarHBondContact O-CB 3.34Å; L375-L379 PolarHBondContact O-N 3.38Å; L375-V413 HydrophobicContact CB-CG1 4.24Å; L375-V413 VanDerWaalsContact O-CG1 3.3Å; L375-V413 WeakPolarHBondContact O-CG1 3.37Å; L375-Q416 HydrophobicContact CD1-CB 4.19Å; L375-M417 HydrophobicContact CD1-CB 4.45Å
376F88.1Confident92.6Very high37 Ų3775.3 Ų75.316%0.16235%0.353CS..Hα-helixtrans-69.2-44.1174.9-67.8-83.3000111.7W369 K372 K373 E378 L379 Q380 M417W369-F376 HydrophobicContact CD2-CE2 4.28Å; W369-F376 HydrophobicContact CD2-CZ 4.06Å; W369-F376 AromaticContact CE3-CE1 3.67Å; W369-F376 HydrophobicContact CE3-CE1 3.67Å; W369-F376 AromaticContact CE3-CE2 3.97Å; W369-F376 HydrophobicContact CE3-CE2 3.97Å; W369-F376 AromaticContact CE3-CZ 3.3Å; W369-F376 HydrophobicContact CE3-CZ 3.3Å; W369-F376 HydrophobicContact CH2-CD1 4.08Å; W369-F376 AromaticContact CH2-CE1 3.76Å; W369-F376 HydrophobicContact CH2-CE1 3.76Å; W369-F376 HydrophobicContact CH2-CZ 4.23Å; W369-F376 AromaticContact CZ3-CD1 3.99Å; W369-F376 HydrophobicContact CZ3-CD1 3.99Å; W369-F376 AromaticContact CZ3-CE1 3.21Å; W369-F376 HydrophobicContact CZ3-CE1 3.21Å; W369-F376 HydrophobicContact CZ3-CE2 4.33Å; W369-F376 AromaticContact CZ3-CZ 3.42Å; W369-F376 HydrophobicContact CZ3-CZ 3.42Å; W369-F376 VanDerWaalsContact CZ3-CZ 3.42Å; K372-F376 WeakPolarHBondContact O-CD2 3.25Å; K373-F376 WeakPolarHBondContact O-CA 3.45Å; K373-F376 WeakPolarHBondContact O-CB 3.4Å; K373-F376 PolarHBondContact O-N 3.33Å; F376-E378 VanDerWaalsContact C-N 3.26Å; F376-E378 PolarHBondContact O-N 3.06Å; F376-L379 PolarHBondContact O-N 2.93Å; F376-Q380 WeakPolarHBondContact O-CB 3.4Å; F376-Q380 PolarHBondContact O-N 2.91Å; F376-M417 HydrophobicContact CD1-SD 3.78Å; F376-M417 HydrophobicContact CD2-SD 4.5Å; F376-M417 HydrophobicContact CE1-CE 4.27Å; F376-M417 HydrophobicContact CE1-SD 3.18Å; F376-M417 WeakPolarHBondContact CE1-SD 3.26Å; F376-M417 HydrophobicContact CE2-SD 4.01Å; F376-M417 HydrophobicContact CG-SD 4.41Å; F376-M417 HydrophobicContact CZ-CG 4.15Å; F376-M417 HydrophobicContact CZ-SD 3.32Å; F376-M417 WeakPolarHBondContact CZ-SD 3.33Å
377D93.2Very high92.3Very high77 Ų7779.6 Ų79.641%0.41237%0.372SS..Hα-helixtrans-61.5-38.8176.4-63.5-19.8000110.4K373 K381K373-D377 WeakPolarHBondContact CE-OD1 3.45Å; K373-D377 WeakPolarHBondContact CE-OD2 2.97Å; K373-D377 PolarHBondContact O-N 3.04Å; D377-K381 WeakPolarHBondContact O-CB 3.4Å; D377-K381 PolarHBondContact O-N 3.18Å
378E94.1Very high92.1Very high88 Ų8876.9 Ų76.941%0.41137%0.369SS..Hα-helixtrans-65.6-45.2174.3-174.6175.2-172.200112.3S374 F376 Q380 K381 I382 V413S374-E378 WeakPolarHBondContact O-CB 3.32Å; S374-E378 PolarHBondContact O-N 2.81Å; F376-E378 VanDerWaalsContact C-N 3.26Å; F376-E378 PolarHBondContact O-N 3.06Å; E378-Q380 PolarHBondContact O-N 3.43Å; E378-K381 WeakPolarHBondContact O-CB 3.3Å; E378-K381 PolarHBondContact O-N 3.42Å; E378-I382 HydrophobicContact CG-CD1 4.02Å; E378-I382 WeakPolarHBondContact O-CD1 3.23Å; E378-I382 VanDerWaalsContact O-CG1 3.28Å; E378-I382 WeakPolarHBondContact O-CG1 3.18Å; E378-I382 PolarHBondContact O-N 2.76Å; E378-V413 HydrophobicContact CG-CG2 4.05Å
379L91.1Very high91.8Very high30 Ų3079.2 Ų79.216%0.15738%0.384CS..Hα-helixtrans-59.3-47.3176.9-175.362.4000111.2L375 F376 K381 I382 D383 I410 V413L375-L379 WeakPolarHBondContact O-CB 3.34Å; L375-L379 PolarHBondContact O-N 3.38Å; F376-L379 PolarHBondContact O-N 2.93Å; L379-K381 VanDerWaalsContact C-N 3.31Å; L379-K381 PolarHBondContact O-N 2.71Å; L379-I382 PolarHBondContact O-N 2.76Å; L379-I382 VanDerWaalsContact O-N 3.1Å; L379-D383 PolarHBondContact O-N 3.49Å; L379-I410 HydrophobicContact CD1-CB 4.41Å; L379-I410 HydrophobicContact CD1-CG1 4.21Å; L379-I410 HydrophobicContact CD1-CG2 4.03Å; L379-V413 HydrophobicContact CB-CG1 4.1Å
380Q90.2Very high91.6Very high116 Ų11677.7 Ų77.754%0.54238%0.379SS..Hα-helixtrans-61.3-39.7177.3-173.3176.57.800111.9F376 E378 I382 D383 N384F376-Q380 WeakPolarHBondContact O-CB 3.4Å; F376-Q380 PolarHBondContact O-N 2.91Å; E378-Q380 PolarHBondContact O-N 3.43Å; Q380-I382 VanDerWaalsContact C-N 3.31Å; Q380-I382 PolarHBondContact O-N 3.08Å; Q380-D383 PolarHBondContact O-N 3Å; Q380-N384 PolarHBondContact O-N 2.79Å; Q380-N384 PolarHBondContact O-OD1 3.01Å
381K94.4Very high91.3Very high141 Ų14179.7 Ų79.761%0.61338%0.383SS*.Hα-helixtrans-61.4-40.4174.8-177.5179.4179.3178.10111.8D377 E378 L379 N385D377-K381 WeakPolarHBondContact O-CB 3.4Å; D377-K381 PolarHBondContact O-N 3.18Å; E378-K381 WeakPolarHBondContact O-CB 3.3Å; E378-K381 PolarHBondContact O-N 3.42Å; L379-K381 VanDerWaalsContact C-N 3.31Å; L379-K381 PolarHBondContact O-N 2.71Å; K381-N385 PolarHBondContact O-N 2.93Å; K381-N385 VanDerWaalsContact O-N 3.16Å; K381-N385 PolarHBondContact O-ND2 2.97Å; K381-N385 PolarHBondContact O-OD1 3.36Å
382I92.6Very high90.9Very high8 Ų880.1 Ų80.14%0.04139%0.392CS..Hα-helixtrans-69.8-40.2178.9-60.8158.5000110.9E378 L379 Q380 N385 L386 L406 K409 I410 V413E378-I382 HydrophobicContact CG-CD1 4.02Å; E378-I382 WeakPolarHBondContact O-CD1 3.23Å; E378-I382 VanDerWaalsContact O-CG1 3.28Å; E378-I382 WeakPolarHBondContact O-CG1 3.18Å; E378-I382 PolarHBondContact O-N 2.76Å; L379-I382 PolarHBondContact O-N 2.76Å; L379-I382 VanDerWaalsContact O-N 3.1Å; Q380-I382 VanDerWaalsContact C-N 3.31Å; Q380-I382 PolarHBondContact O-N 3.08Å; I382-N385 WeakPolarHBondContact O-CB 3.46Å; I382-N385 PolarHBondContact O-N 2.72Å; I382-L386 PolarHBondContact O-N 2.84Å; I382-L406 HydrophobicContact CG2-CB 4.17Å; I382-L406 HydrophobicContact CG2-CD2 4.05Å; I382-K409 HydrophobicContact CD1-CB 3.77Å; I382-I410 HydrophobicContact CB-CG1 4.24Å; I382-I410 HydrophobicContact CG2-CD1 3.94Å; I382-I410 HydrophobicContact CG2-CG1 3.51Å; I382-V413 HydrophobicContact CD1-CG2 4.12Å
383D88.9Confident90.6Very high64 Ų6479.3 Ų79.334%0.34239%0.39SS..Hα-helixtrans-62.3-46176.1-72.9-24.4000111.4L379 Q380 N385 L386 E387L379-D383 PolarHBondContact O-N 3.49Å; Q380-D383 PolarHBondContact O-N 3Å; D383-N385 PolarHBondContact O-N 3.15Å; D383-L386 WeakPolarHBondContact O-CB 3.45Å; D383-L386 PolarHBondContact O-N 2.98Å; D383-E387 WeakPolarHBondContact O-CG 3.35Å; D383-E387 PolarHBondContact O-N 3.32Å
384N91.6Very high90.4Very high73 Ų7378.4 Ų78.439%0.3939%0.391SS..Hα-helixtrans-60.4-34.2175-68.1-8.5000112.8Q380 T388Q380-N384 PolarHBondContact O-N 2.79Å; Q380-N384 PolarHBondContact O-OD1 3.01Å; N384-T388 WeakPolarHBondContact O-CB 3.28Å; N384-T388 PolarHBondContact O-N 2.79Å; N384-T388 PolarHBondContact O-OG1 3.16Å
385N92.2Very high90.1Very high70 Ų7082.9 Ų82.937%0.37441%0.407SS..Hα-helixtrans-68.1-41.2175-69.8-16.4000111.2K381 I382 D383 T388 V389 L406K381-N385 PolarHBondContact O-N 2.93Å; K381-N385 VanDerWaalsContact O-N 3.16Å; K381-N385 PolarHBondContact O-ND2 2.97Å; K381-N385 PolarHBondContact O-OD1 3.36Å; I382-N385 WeakPolarHBondContact O-CB 3.46Å; I382-N385 PolarHBondContact O-N 2.72Å; D383-N385 PolarHBondContact O-N 3.15Å; N385-T388 PolarHBondContact O-N 2.92Å; N385-V389 WeakPolarHBondContact O-CG2 3.2Å; N385-V389 PolarHBondContact O-N 2.9Å; N385-V389 VanDerWaalsContact O-N 3.09Å; N385-L406 HydrophobicContact CB-CD1 4.45Å; N385-L406 HydrophobicContact CB-CD2 4.29Å
386L90Very high89.9Confident30 Ų3086.9 Ų86.916%0.15744%0.436CS..Hα-helixtrans-60.7-46.6173.6-77.9176.1000111I382 D383 T388 V389 Y390 V403 L406 I410I382-L386 PolarHBondContact O-N 2.84Å; D383-L386 WeakPolarHBondContact O-CB 3.45Å; D383-L386 PolarHBondContact O-N 2.98Å; L386-T388 VanDerWaalsContact C-N 3.29Å; L386-T388 PolarHBondContact O-N 2.87Å; L386-V389 PolarHBondContact O-N 2.9Å; L386-Y390 HydrophobicContact CD2-CE2 4.34Å; L386-Y390 VanDerWaalsContact O-CD2 3.23Å; L386-Y390 WeakPolarHBondContact O-CD2 3.48Å; L386-Y390 PolarHBondContact O-N 3Å; L386-Y390 VanDerWaalsContact O-N 3.16Å; L386-V403 HydrophobicContact CD2-CB 3.73Å; L386-V403 HydrophobicContact CD2-CG1 3.71Å; L386-V403 HydrophobicContact CD2-CG2 4.49Å; L386-L406 HydrophobicContact CD2-CB 3.76Å; L386-L406 HydrophobicContact CD2-CD1 3.57Å; L386-L406 HydrophobicContact CD2-CG 4.32Å; L386-L406 HydrophobicContact CG-CB 4.12Å; L386-L406 HydrophobicContact CG-CD1 4.02Å; L386-I410 HydrophobicContact CD1-CD1 3.4Å
387E88.3Confident89.9Confident118 Ų11887 Ų8755%0.55144%0.442SS*.Hα-helixtrans-57.9-42.6177-71178.1-178.900111.8D383 V389 Y390 R391D383-E387 WeakPolarHBondContact O-CG 3.35Å; D383-E387 PolarHBondContact O-N 3.32Å; E387-V389 VanDerWaalsContact C-N 3.32Å; E387-V389 PolarHBondContact O-N 3.23Å; E387-Y390 PolarHBondContact O-N 3.33Å; E387-R391 WeakPolarHBondContact O-CB 3.28Å; E387-R391 PolarHBondContact O-N 3.05Å
388T89.9Confident89.5Confident73 Ų7391.1 Ų91.145%0.44846%0.464SS..Hα-helixtrans-64-37.3178.7-58.40000112.3N384 N385 L386 Y390 R391N384-T388 WeakPolarHBondContact O-CB 3.28Å; N384-T388 PolarHBondContact O-N 2.79Å; N384-T388 PolarHBondContact O-OG1 3.16Å; N385-T388 PolarHBondContact O-N 2.92Å; L386-T388 VanDerWaalsContact C-N 3.29Å; L386-T388 PolarHBondContact O-N 2.87Å; T388-Y390 VanDerWaalsContact C-N 3.32Å; T388-Y390 PolarHBondContact O-N 3.04Å; T388-R391 PolarHBondContact OG1-NH2 3.09Å
389V88.4Confident89.1Confident58 Ų5892.8 Ų92.835%0.35247%0.474SS..Hα-helixtrans-66.9-34.5177.3168.80000111.9N385 L386 E387 P401 V403N385-V389 WeakPolarHBondContact O-CG2 3.2Å; N385-V389 PolarHBondContact O-N 2.9Å; N385-V389 VanDerWaalsContact O-N 3.09Å; L386-V389 PolarHBondContact O-N 2.9Å; E387-V389 VanDerWaalsContact C-N 3.32Å; E387-V389 PolarHBondContact O-N 3.23Å; V389-P401 HydrophobicContact CG1-CB 3.19Å; V389-P401 HydrophobicContact CG1-CG 3.54Å; V389-V403 HydrophobicContact CG1-CG1 4.07Å
390Y88.5Confident88.8Confident109 Ų109102.8 Ų102.843%0.42751%0.51SS..Hα-helixtrans-95-15.1-177.1-73.1-68.4000114.9L386 E387 T388 D392 L393 P401 V403L386-Y390 HydrophobicContact CD2-CE2 4.34Å; L386-Y390 VanDerWaalsContact O-CD2 3.23Å; L386-Y390 WeakPolarHBondContact O-CD2 3.48Å; L386-Y390 PolarHBondContact O-N 3Å; L386-Y390 VanDerWaalsContact O-N 3.16Å; E387-Y390 PolarHBondContact O-N 3.33Å; T388-Y390 VanDerWaalsContact C-N 3.32Å; T388-Y390 PolarHBondContact O-N 3.04Å; Y390-D392 VanDerWaalsContact C-N 3.33Å; Y390-D392 PolarHBondContact O-N 3.26Å; Y390-D392 VanDerWaalsContact O-N 3.17Å; Y390-L393 HydrophobicContact CD1-CD1 3.97Å; Y390-L393 PolarHBondContact O-N 3.46Å; Y390-P401 HydrophobicContact CE1-CG 4.4Å; Y390-V403 HydrophobicContact CE2-CG1 3.82Å; Y390-V403 WeakPolarHBondContact OH-CG2 3.19Å
391R86.9Confident88.6Confident161 Ų16199 Ų9961%0.60850%0.496SS*.THydrogen-bonded Turntrans-48.9-46.9-169.1-173.6179.8-64.8143.35114.6E387 T388E387-R391 WeakPolarHBondContact O-CB 3.28Å; E387-R391 PolarHBondContact O-N 3.05Å; T388-R391 PolarHBondContact OG1-NH2 3.09Å
392D85.9Confident88.3Confident138 Ų13899 Ų9974%0.73850%0.502SS*.THydrogen-bonded Turntrans-99.47.8-173-55.7-41.2000113Y390Y390-D392 VanDerWaalsContact C-N 3.33Å; Y390-D392 PolarHBondContact O-N 3.26Å; Y390-D392 VanDerWaalsContact O-N 3.17Å
393L88Confident88.2Confident55 Ų5599.1 Ų99.129%0.28850%0.503SS..  trans-90.4136.1178.9-58.7-180000110.6Y390 S397 I399 P401Y390-L393 HydrophobicContact CD1-CD1 3.97Å; Y390-L393 PolarHBondContact O-N 3.46Å; L393-S397 WeakPolarHBondContact CA-OG 3.32Å; L393-I399 HydrophobicContact CD2-CB 4.36Å; L393-P401 HydrophobicContact CD1-CG 3.35Å
394N88.5Confident88.3Confident106 Ų10696.9 Ų96.957%0.56750%0.495SS*.  trans-132.3-178.2173.665.445.2000110.1S396 S397N394-S396 PolarHBondContact O-N 2.96Å; N394-S396 VanDerWaalsContact O-N 3.08Å; N394-S396 WeakPolarHBondContact OD1-CA 3.21Å; N394-S396 VanDerWaalsContact OD1-CB 3.3Å; N394-S396 WeakPolarHBondContact OD1-CB 3.26Å; N394-S396 PolarHBondContact OD1-N 3.3Å; N394-S397 PolarHBondContact N-OG 3.44Å; N394-S397 VanDerWaalsContact O-CB 3.24Å; N394-S397 WeakPolarHBondContact O-CB 3.43Å; N394-S397 PolarHBondContact O-N 3.21Å; N394-S397 PolarHBondContact O-OG 2.91Å; N394-S397 PolarHBondContact OD1-N 3.38Å
395I88.5Confident88.3Confident176 Ų17697.7 Ų97.790%0.90350%0.499SS*.THydrogen-bonded Turntrans-56.6-26.5-178.5-81.8169000113.3
396S89.1Confident88.3Confident97 Ų9795.7 Ų95.768%0.67849%0.489SS*.THydrogen-bonded Turntrans-86.1-9.3179.4-48.60000113N394 N398N394-S396 PolarHBondContact O-N 2.96Å; N394-S396 VanDerWaalsContact O-N 3.08Å; N394-S396 WeakPolarHBondContact OD1-CA 3.21Å; N394-S396 VanDerWaalsContact OD1-CB 3.3Å; N394-S396 WeakPolarHBondContact OD1-CB 3.26Å; N394-S396 PolarHBondContact OD1-N 3.3Å; S396-N398 PolarHBondContact O-N 3.49Å
397S87.3Confident88.3Confident40 Ų4098.5 Ų98.528%0.2850%0.501SS..  trans-71.5114.3178.2-57.50000110.2L393 N394 I399L393-S397 WeakPolarHBondContact CA-OG 3.32Å; N394-S397 PolarHBondContact N-OG 3.44Å; N394-S397 VanDerWaalsContact O-CB 3.24Å; N394-S397 WeakPolarHBondContact O-CB 3.43Å; N394-S397 PolarHBondContact O-N 3.21Å; N394-S397 PolarHBondContact O-OG 2.91Å; N394-S397 PolarHBondContact OD1-N 3.38Å; S397-I399 PolarHBondContact O-N 2.96Å
398N85.2Confident88.6Confident163 Ų16399.4 Ų99.487%0.87250%0.499SS*.  trans-77.5-6.1174.6-67.6-36.3000113.3S396S396-N398 PolarHBondContact O-N 3.49Å
399I85Confident88.7Confident123 Ų123101.5 Ų101.563%0.63150%0.502SS*.  trans-80.4124.6-179.1-57.1172.8000108.6L393 S397 P401L393-I399 HydrophobicContact CD2-CB 4.36Å; S397-I399 PolarHBondContact O-N 2.96Å; I399-P401 WeakPolarHBondContact O-CD 3.47Å
400R84.7Confident88.9Confident240 Ų240100.6 Ų100.691%0.90650%0.495SS*.  trans-107.6100.4168.7-69-176.5179.6179.40.5108.6D402R400-D402 PolarHBondContact O-N 3.29Å
401P87.1Confident88.9Confident37 Ų37102.3 Ų102.324%0.2450%0.5CS..  trans-61.9138.1176.5-19.330.9000111V389 Y390 L393 I399 V403V389-P401 HydrophobicContact CG1-CB 3.19Å; V389-P401 HydrophobicContact CG1-CG 3.54Å; Y390-P401 HydrophobicContact CE1-CG 4.4Å; L393-P401 HydrophobicContact CD1-CG 3.35Å; I399-P401 WeakPolarHBondContact O-CD 3.47Å; P401-V403 HydrophobicContact CB-CG1 4.36Å; P401-V403 PolarHBondContact O-N 2.86Å
402D88.2Confident89.2Confident139 Ų13996.7 Ų96.774%0.74349%0.489SS*.  trans-79.2107.7169.1-175.14000109.6R400 G404R400-D402 PolarHBondContact O-N 3.29Å; D402-G404 PolarHBondContact OD1-N 3.16Å
403V89.2Confident89.5Confident12 Ų1290.3 Ų90.37%0.07346%0.455CS..  trans-106.310.7176.8-62.30000112.7L386 V389 Y390 P401 D405 L406 Q407L386-V403 HydrophobicContact CD2-CB 3.73Å; L386-V403 HydrophobicContact CD2-CG1 3.71Å; L386-V403 HydrophobicContact CD2-CG2 4.49Å; V389-V403 HydrophobicContact CG1-CG1 4.07Å; Y390-V403 HydrophobicContact CE2-CG1 3.82Å; Y390-V403 WeakPolarHBondContact OH-CG2 3.19Å; P401-V403 HydrophobicContact CB-CG1 4.36Å; P401-V403 PolarHBondContact O-N 2.86Å; V403-D405 VanDerWaalsContact C-N 3.28Å; V403-D405 PolarHBondContact O-N 3.43Å; V403-L406 PolarHBondContact O-N 3.17Å; V403-L406 VanDerWaalsContact O-N 3.15Å; V403-Q407 HydrophobicContact CG2-CG 4.26Å; V403-Q407 WeakPolarHBondContact O-CG 3.11Å; V403-Q407 PolarHBondContact O-N 2.92Å
404G91.8Very high89.5Confident16 Ų1688.9 Ų88.917%0.16545%0.45CS..Hα-helixtrans-58-38.9-175.600000113.1D402 R408D402-G404 PolarHBondContact OD1-N 3.16Å; G404-R408 WeakPolarHBondContact O-CG 3.43Å; G404-R408 PolarHBondContact O-N 2.97Å
405D91.8Very high89.6Confident91 Ų9189.3 Ų89.349%0.48745%0.449SS..Hα-helixtrans-66-45.2175.2-81.8-34.8000113.1V403 Q407 R408 K409V403-D405 VanDerWaalsContact C-N 3.28Å; V403-D405 PolarHBondContact O-N 3.43Å; D405-Q407 VanDerWaalsContact C-N 3.34Å; D405-Q407 PolarHBondContact O-N 2.83Å; D405-R408 PolarHBondContact O-N 2.94Å; D405-R408 IonicContact OD1-CZ 2.89Å; D405-R408 IonicContact OD1-NE 2.72Å; D405-R408 PolarHBondContact OD1-NE 2.92Å; D405-R408 IonicContact OD1-NH2 3.17Å; D405-R408 PolarHBondContact OD1-NH2 3.09Å; D405-K409 WeakPolarHBondContact O-CG 3.32Å; D405-K409 PolarHBondContact O-N 3.22Å
406L91.8Very high89.7Confident28 Ų2885.6 Ų85.615%0.14743%0.428CS..Hα-helixtrans-63.5-43.5178.6-64.7173.3000110.3I382 N385 L386 V403 R408 K409 I410I382-L406 HydrophobicContact CG2-CB 4.17Å; I382-L406 HydrophobicContact CG2-CD2 4.05Å; N385-L406 HydrophobicContact CB-CD1 4.45Å; N385-L406 HydrophobicContact CB-CD2 4.29Å; L386-L406 HydrophobicContact CD2-CB 3.76Å; L386-L406 HydrophobicContact CD2-CD1 3.57Å; L386-L406 HydrophobicContact CD2-CG 4.32Å; L386-L406 HydrophobicContact CG-CB 4.12Å; L386-L406 HydrophobicContact CG-CD1 4.02Å; V403-L406 PolarHBondContact O-N 3.17Å; V403-L406 VanDerWaalsContact O-N 3.15Å; L406-R408 PolarHBondContact O-N 3.49Å; L406-K409 PolarHBondContact O-N 3.38Å; L406-I410 WeakPolarHBondContact O-CG1 3.36Å; L406-I410 PolarHBondContact O-N 2.63Å
407Q90.3Very high89.8Confident88 Ų8881.5 Ų81.541%0.41140%0.398SS..Hα-helixtrans-63-38.1175.4-70.3-179-6.600113V403 D405 R411V403-Q407 HydrophobicContact CG2-CG 4.26Å; V403-Q407 WeakPolarHBondContact O-CG 3.11Å; V403-Q407 PolarHBondContact O-N 2.92Å; D405-Q407 VanDerWaalsContact C-N 3.34Å; D405-Q407 PolarHBondContact O-N 2.83Å; Q407-R411 WeakPolarHBondContact O-CG 3.27Å; Q407-R411 PolarHBondContact O-N 2.84Å
408R93.5Very high89.9Confident138 Ų13880.7 Ų80.752%0.52139%0.39SS..Hα-helixtrans-62.7-44173.1-81.5-171.8-72.3-1016111.2G404 D405 L406 R411 A412G404-R408 WeakPolarHBondContact O-CG 3.43Å; G404-R408 PolarHBondContact O-N 2.97Å; D405-R408 PolarHBondContact O-N 2.94Å; D405-R408 IonicContact OD1-CZ 2.89Å; D405-R408 IonicContact OD1-NE 2.72Å; D405-R408 PolarHBondContact OD1-NE 2.92Å; D405-R408 IonicContact OD1-NH2 3.17Å; D405-R408 PolarHBondContact OD1-NH2 3.09Å; L406-R408 PolarHBondContact O-N 3.49Å; R408-R411 PolarHBondContact O-N 3.46Å; R408-A412 PolarHBondContact O-N 2.91Å
409K94Very high90.2Very high116 Ų11678.6 Ų78.650%0.50438%0.375SS..Hα-helixtrans-63.1-45.5177.7-71176.6180179.10112.2I382 D405 L406 R411 A412 V413I382-K409 HydrophobicContact CD1-CB 3.77Å; D405-K409 WeakPolarHBondContact O-CG 3.32Å; D405-K409 PolarHBondContact O-N 3.22Å; L406-K409 PolarHBondContact O-N 3.38Å; K409-R411 VanDerWaalsContact C-N 3.29Å; K409-R411 PolarHBondContact O-N 2.87Å; K409-A412 PolarHBondContact O-N 3.12Å; K409-A412 VanDerWaalsContact O-N 3.17Å; K409-V413 WeakPolarHBondContact O-CG2 3.09Å; K409-V413 PolarHBondContact O-N 3.22Å
410I91.1Very high90.6Very high39 Ų3974.1 Ų74.120%0.236%0.355CS..Hα-helixtrans-54.3-48174.8-71.1173.3000110.7L379 I382 L386 L406 A412 V413 A414L379-I410 HydrophobicContact CD1-CB 4.41Å; L379-I410 HydrophobicContact CD1-CG1 4.21Å; L379-I410 HydrophobicContact CD1-CG2 4.03Å; I382-I410 HydrophobicContact CB-CG1 4.24Å; I382-I410 HydrophobicContact CG2-CD1 3.94Å; I382-I410 HydrophobicContact CG2-CG1 3.51Å; L386-I410 HydrophobicContact CD1-CD1 3.4Å; L406-I410 WeakPolarHBondContact O-CG1 3.36Å; L406-I410 PolarHBondContact O-N 2.63Å; I410-A412 PolarHBondContact O-N 3.07Å; I410-V413 PolarHBondContact O-N 3.35Å; I410-A414 WeakPolarHBondContact O-CB 3.41Å; I410-A414 PolarHBondContact O-N 3.47Å
411R89.7Confident91Very high145 Ų14564 Ų6455%0.54732%0.317SS..Hα-helixtrans-62.6-43.3179.2-72.4-171.5-66-96.33112.3Q407 R408 K409 Q415Q407-R411 WeakPolarHBondContact O-CG 3.27Å; Q407-R411 PolarHBondContact O-N 2.84Å; R408-R411 PolarHBondContact O-N 3.46Å; K409-R411 VanDerWaalsContact C-N 3.29Å; K409-R411 PolarHBondContact O-N 2.87Å; R411-Q415 WeakPolarHBondContact O-CB 3.12Å; R411-Q415 PolarHBondContact O-N 2.87Å
412A92.1Very high91.2Very high44 Ų4463.3 Ų63.336%0.36432%0.316SS..Hα-helixtrans-64.3-46.3179.200000112.1R408 K409 I410 Q415 Q416R408-A412 PolarHBondContact O-N 2.91Å; K409-A412 PolarHBondContact O-N 3.12Å; K409-A412 VanDerWaalsContact O-N 3.17Å; I410-A412 PolarHBondContact O-N 3.07Å; A412-Q415 PolarHBondContact O-N 3.15Å; A412-Q416 WeakPolarHBondContact O-CG 3.37Å; A412-Q416 PolarHBondContact O-N 2.72Å
413V92.1Very high91.3Very high4 Ų459.2 Ų59.22%0.02430%0.301CS..Hα-helixtrans-65.1-44.2177.8175.60000110.7L375 E378 L379 I382 K409 I410 Q415 Q416 M417L375-V413 HydrophobicContact CB-CG1 4.24Å; L375-V413 VanDerWaalsContact O-CG1 3.3Å; L375-V413 WeakPolarHBondContact O-CG1 3.37Å; E378-V413 HydrophobicContact CG-CG2 4.05Å; L379-V413 HydrophobicContact CB-CG1 4.1Å; I382-V413 HydrophobicContact CD1-CG2 4.12Å; K409-V413 WeakPolarHBondContact O-CG2 3.09Å; K409-V413 PolarHBondContact O-N 3.22Å; I410-V413 PolarHBondContact O-N 3.35Å; V413-Q415 VanDerWaalsContact C-N 3.31Å; V413-Q415 PolarHBondContact O-N 2.86Å; V413-Q416 PolarHBondContact O-N 3.17Å; V413-M417 WeakPolarHBondContact O-CB 3.26Å; V413-M417 PolarHBondContact O-N 3.16Å
414A88.6Confident91.4Very high24 Ų2459.1 Ų59.120%0.19830%0.301CS..Hα-helixtrans-60.7-40.5176.400000112I410 M417 E418I410-A414 WeakPolarHBondContact O-CB 3.41Å; I410-A414 PolarHBondContact O-N 3.47Å; A414-M417 WeakPolarHBondContact O-CB 3.3Å; A414-M417 PolarHBondContact O-N 3.28Å; A414-E418 WeakPolarHBondContact O-CG 3.1Å; A414-E418 PolarHBondContact O-N 3.02Å
415Q89.6Confident91.5Very high116 Ų11658.6 Ų58.654%0.54230%0.295SS..Hα-helixtrans-64.4-48.8176-179.7177.8-8.700112R411 A412 V413 M417 E418 E419R411-Q415 WeakPolarHBondContact O-CB 3.12Å; R411-Q415 PolarHBondContact O-N 2.87Å; A412-Q415 PolarHBondContact O-N 3.15Å; V413-Q415 VanDerWaalsContact C-N 3.31Å; V413-Q415 PolarHBondContact O-N 2.86Å; Q415-M417 PolarHBondContact O-N 2.87Å; Q415-E418 PolarHBondContact O-N 3.29Å; Q415-E418 VanDerWaalsContact O-N 3.15Å; Q415-E419 HydrophobicContact CG-CG 4.43Å; Q415-E419 VanDerWaalsContact CG-OE1 3.29Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.38Å; Q415-E419 PolarHBondContact NE2-OE1 3.48Å; Q415-E419 WeakPolarHBondContact O-CG 3.48Å; Q415-E419 PolarHBondContact O-N 3.08Å
416Q92.2Very high91.7Very high98 Ų9854.5 Ų54.546%0.45827%0.273SS..Hα-helixtrans-59.9-33.9176.6-71.2179.326.100112.4L375 A412 V413 S420L375-Q416 HydrophobicContact CD1-CB 4.19Å; A412-Q416 WeakPolarHBondContact O-CG 3.37Å; A412-Q416 PolarHBondContact O-N 2.72Å; V413-Q416 PolarHBondContact O-N 3.17Å; Q416-S420 PolarHBondContact O-N 3.21Å; Q416-S420 PolarHBondContact O-OG 3.42Å
417M89.6Confident91.9Very high10 Ų1053.2 Ų53.25%0.04927%0.267CS..Hα-helixtrans-67-48.1175-175.1170.971.500111.2L375 F376 V413 A414 Q415 S420 Y421L375-M417 HydrophobicContact CD1-CB 4.45Å; F376-M417 HydrophobicContact CD1-SD 3.78Å; F376-M417 HydrophobicContact CD2-SD 4.5Å; F376-M417 HydrophobicContact CE1-CE 4.27Å; F376-M417 HydrophobicContact CE1-SD 3.18Å; F376-M417 WeakPolarHBondContact CE1-SD 3.26Å; F376-M417 HydrophobicContact CE2-SD 4.01Å; F376-M417 HydrophobicContact CG-SD 4.41Å; F376-M417 HydrophobicContact CZ-CG 4.15Å; F376-M417 HydrophobicContact CZ-SD 3.32Å; F376-M417 WeakPolarHBondContact CZ-SD 3.33Å; V413-M417 WeakPolarHBondContact O-CB 3.26Å; V413-M417 PolarHBondContact O-N 3.16Å; A414-M417 WeakPolarHBondContact O-CB 3.3Å; A414-M417 PolarHBondContact O-N 3.28Å; Q415-M417 PolarHBondContact O-N 2.87Å; M417-S420 WeakPolarHBondContact O-CB 3.46Å; M417-S420 PolarHBondContact O-N 3.12Å; M417-Y421 HydrophobicContact CG-CE2 4.08Å; M417-Y421 WeakPolarHBondContact O-CD2 3.28Å; M417-Y421 WeakPolarHBondContact O-CE2 3.43Å
418E90.6Very high92.2Very high23 Ų2350.2 Ų50.211%0.10725%0.253CS..Hα-helixtrans-59.8-49.3175.9-68.9-66.711200111.2K102 A414 Q415 S420 Y421 G425 N430K102-E418 IonicContact NZ-OE2 3.48Å; K102-E418 PolarHBondContact NZ-OE2 3.46Å; K102-E418 VanDerWaalsContact NZ-OE2 3.15Å; A414-E418 WeakPolarHBondContact O-CG 3.1Å; A414-E418 PolarHBondContact O-N 3.02Å; Q415-E418 PolarHBondContact O-N 3.29Å; Q415-E418 VanDerWaalsContact O-N 3.15Å; E418-S420 PolarHBondContact O-N 2.84Å; E418-Y421 PolarHBondContact O-N 3.42Å; E418-G425 VanDerWaalsContact O-CA 3.26Å; E418-G425 WeakPolarHBondContact O-CA 3.18Å; E418-N430 WeakPolarHBondContact OE1-CA 3.5Å; E418-N430 PolarHBondContact OE2-ND2 2.98Å
419E91.6Very high92.2Very high119 Ų11948.2 Ų48.256%0.55625%0.245SC*.Hα-helixtrans-57.7-22.4179.2-71.2170-176.500113.2Q415 Y421Q415-E419 HydrophobicContact CG-CG 4.43Å; Q415-E419 VanDerWaalsContact CG-OE1 3.29Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.38Å; Q415-E419 PolarHBondContact NE2-OE1 3.48Å; Q415-E419 WeakPolarHBondContact O-CG 3.48Å; Q415-E419 PolarHBondContact O-N 3.08Å; E419-Y421 VanDerWaalsContact C-N 3.28Å; E419-Y421 PolarHBondContact O-N 3.24Å
420S92.7Very high92.1Very high30 Ų3045 Ų4521%0.2123%0.233CC..THydrogen-bonded Turntrans-73.1-15.9177.4-630000114.1V368 K372 Q416 M417 E418V368-S420 WeakPolarHBondContact CG2-O 3.22Å; K372-S420 VanDerWaalsContact CE-OG 3.28Å; K372-S420 WeakPolarHBondContact CE-OG 3.4Å; Q416-S420 PolarHBondContact O-N 3.21Å; Q416-S420 PolarHBondContact O-OG 3.42Å; M417-S420 WeakPolarHBondContact O-CB 3.46Å; M417-S420 PolarHBondContact O-N 3.12Å; E418-S420 PolarHBondContact O-N 2.84Å
421Y92.5Very high91.8Very high28 Ų2844 Ų4411%0.1123%0.233CC..THydrogen-bonded Turntrans-97-25.5179.7-66.6-87.5000113.6E365 V368 M417 E418 E419E365-Y421 HydrophobicContact CB-CE1 4.47Å; E365-Y421 HydrophobicContact CG-CD1 4.42Å; E365-Y421 WeakPolarHBondContact OE2-CD1 3.44Å; E365-Y421 WeakPolarHBondContact OE2-CE1 3.32Å; V368-Y421 HydrophobicContact CB-CD1 3.82Å; V368-Y421 HydrophobicContact CB-CE1 3.54Å; V368-Y421 HydrophobicContact CB-CG 4.5Å; V368-Y421 HydrophobicContact CG1-CD1 3.81Å; V368-Y421 HydrophobicContact CG1-CD2 4.05Å; V368-Y421 HydrophobicContact CG1-CE1 3.53Å; V368-Y421 HydrophobicContact CG1-CE2 3.78Å; V368-Y421 HydrophobicContact CG1-CG 4.05Å; V368-Y421 HydrophobicContact CG2-CD1 4.13Å; V368-Y421 HydrophobicContact CG2-CE1 4.35Å; M417-Y421 HydrophobicContact CG-CE2 4.08Å; M417-Y421 WeakPolarHBondContact O-CD2 3.28Å; M417-Y421 WeakPolarHBondContact O-CE2 3.43Å; E418-Y421 PolarHBondContact O-N 3.42Å; E419-Y421 VanDerWaalsContact C-N 3.28Å; E419-Y421 PolarHBondContact O-N 3.24Å
422G91.5Very high91.6Very high22 Ų2242.3 Ų42.323%0.22724%0.243CC..  trans149.1-177.9-174.200000111.4L424 G425G422-L424 PolarHBondContact O-N 2.87Å; G422-G425 PolarHBondContact O-N 2.93Å; G422-G425 VanDerWaalsContact O-N 3.12Å
423A90.8Very high91.6Very high52 Ų5245 Ų4543%0.4324%0.244SC..THydrogen-bonded Turntrans-62.6-30.4-174.400000113.4S85 F86S85-A423 PolarHBondContact O-N 2.93Å; F86-A423 HydrophobicContact CB-CB 4.5Å; F86-A423 HydrophobicContact CD2-CB 4.14Å
424L92.6Very high91.8Very high11 Ų1147 Ų476%0.05825%0.253CS..THydrogen-bonded Turntrans-105.68.5178.9-63.4178.7000113.5F86 L88 L91 K102 L113 F118 G422F86-L424 HydrophobicContact CZ-CD1 4.45Å; F86-L424 WeakPolarHBondContact O-CD1 3.45Å; L88-L424 HydrophobicContact CB-CB 4.5Å; L88-L424 HydrophobicContact CB-CD1 4.34Å; L88-L424 HydrophobicContact CD2-CB 4.24Å; L91-L424 HydrophobicContact CD1-CD1 3.46Å; L91-L424 VanDerWaalsContact CD1-CD1 3.46Å; L91-L424 HydrophobicContact CD2-CD1 4.1Å; L91-L424 HydrophobicContact CG-CD1 4.38Å; K102-L424 PolarHBondContact NZ-O 3.29Å; L113-L424 HydrophobicContact CD1-CD2 3.49Å; L113-L424 VanDerWaalsContact CD1-CD2 3.49Å; L113-L424 HydrophobicContact CD2-CD2 3.78Å; L113-L424 HydrophobicContact CG-CD2 4.31Å; F118-L424 HydrophobicContact CE1-CD2 4.44Å; F118-L424 HydrophobicContact CZ-CD2 4.23Å; G422-L424 PolarHBondContact O-N 2.87Å
425G93.9Very high92.2Very high5 Ų546 Ų465%0.05225%0.245CC..  trans72.3-161.2-179.800000115E418 G422E418-G425 VanDerWaalsContact O-CA 3.26Å; E418-G425 WeakPolarHBondContact O-CA 3.18Å; G422-G425 PolarHBondContact O-N 2.93Å; G422-G425 VanDerWaalsContact O-N 3.12Å
426S95.4Very high92.5Very high4 Ų442 Ų423%0.02823%0.225CC..  trans-64.2140.3-174.2170.10000111.6K102 E365 F428 R429K102-S426 VanDerWaalsContact CE-O 3.31Å; K102-S426 WeakPolarHBondContact CE-O 3.32Å; K102-S426 PolarHBondContact NZ-O 3.08Å; E365-S426 WeakPolarHBondContact OE1-CA 3.32Å; E365-S426 WeakPolarHBondContact OE1-CB 3.35Å; E365-S426 PolarHBondContact OE1-OG 2.96Å; E365-S426 PolarHBondContact OE2-OG 3.06Å; S426-F428 PolarHBondContact O-N 2.81Å; S426-F428 PolarHBondContact OG-N 2.87Å; S426-R429 WeakPolarHBondContact CB-O 3.39Å; S426-R429 VanDerWaalsContact O-O 3.11Å; S426-R429 PolarHBondContact OG-N 3.44Å
427I96Very high92.7Very high1 Ų137.4 Ų37.41%0.00520%0.204CC..SBendtrans-66-28.7170.8-165.7178.4000111.1L88 R89 E365 T435 F437L88-I427 HydrophobicContact CD1-CB 3.7Å; L88-I427 HydrophobicContact CD1-CG1 4.08Å; L88-I427 HydrophobicContact CG-CB 4.22Å; L88-I427 HydrophobicContact CG-CG1 4.13Å; R89-I427 HydrophobicContact CB-CD1 3.76Å; E365-I427 HydrophobicContact CG-CG2 4.06Å; E365-I427 WeakPolarHBondContact OE1-CG2 3.42Å; E365-I427 PolarHBondContact OE1-N 3.17Å; I427-T435 WeakPolarHBondContact O-CB 3.43Å; I427-T435 WeakPolarHBondContact O-CG2 3.43Å; I427-T435 PolarHBondContact O-OG1 2.78Å; I427-F437 HydrophobicContact CD1-CD1 3.62Å; I427-F437 HydrophobicContact CD1-CD2 4.27Å; I427-F437 HydrophobicContact CD1-CE1 3.5Å; I427-F437 VanDerWaalsContact CD1-CE1 3.5Å; I427-F437 HydrophobicContact CD1-CE2 4.17Å; I427-F437 HydrophobicContact CD1-CG 4.01Å; I427-F437 HydrophobicContact CD1-CZ 3.79Å; I427-F437 HydrophobicContact CG1-CB 4.37Å; I427-F437 HydrophobicContact CG1-CD1 3.6Å; I427-F437 HydrophobicContact CG1-CE1 3.99Å; I427-F437 HydrophobicContact CG1-CG 3.96Å
428F96.5Very high93Very high26 Ų2637.1 Ų37.111%0.11420%0.203CC..SBendtrans-94.6-30.6-173.5-66-78.4000113.8I359 L362 E365 S426 T435 F437 S438 V441I359-F428 HydrophobicContact CD1-CE1 4.02Å; I359-F428 HydrophobicContact CD1-CZ 3.93Å; I359-F428 HydrophobicContact CG2-CZ 3.95Å; L362-F428 HydrophobicContact CB-CE2 4.35Å; L362-F428 HydrophobicContact CB-CZ 4.39Å; L362-F428 HydrophobicContact CD1-CE2 3.67Å; L362-F428 HydrophobicContact CD1-CZ 3.86Å; E365-F428 HydrophobicContact CB-CD2 4.21Å; E365-F428 HydrophobicContact CB-CE2 4.19Å; E365-F428 HydrophobicContact CG-CD2 3.69Å; E365-F428 HydrophobicContact CG-CE2 3.78Å; S426-F428 PolarHBondContact O-N 2.81Å; S426-F428 PolarHBondContact OG-N 2.87Å; F428-T435 PolarHBondContact O-N 2.9Å; F428-T435 VanDerWaalsContact O-N 3.1Å; F428-T435 PolarHBondContact O-OG1 3.08Å; F428-F437 HydrophobicContact CD1-CD1 4.45Å; F428-F437 HydrophobicContact CE1-CD1 4.33Å; F428-F437 HydrophobicContact CE1-CE1 4Å; F428-F437 HydrophobicContact CZ-CE1 4.37Å; F428-S438 VanDerWaalsContact O-CB 3.24Å; F428-S438 WeakPolarHBondContact O-CB 3.45Å; F428-S438 PolarHBondContact O-OG 2.93Å; F428-V441 HydrophobicContact CE1-CG2 4.41Å
429R93.3Very high93.3Very high95 Ų9536.9 Ų36.936%0.35820%0.204SC..EExtended strand (participates in β ladder)trans-139.5161.3-172.3-71.3-175.6172.4-89.75.9112.8K102 S426 S432 R433 H434K102-R429 PolarHBondContact NZ-O 3.07Å; S426-R429 WeakPolarHBondContact CB-O 3.39Å; S426-R429 VanDerWaalsContact O-O 3.11Å; S426-R429 PolarHBondContact OG-N 3.44Å; R429-S432 PolarHBondContact NH1-O 2.89Å; R429-R433 WeakPolarHBondContact CA-O 3.33Å; R429-H434 PolarHBondContact NH2-NE2 2.73Å
430N91.4Very high93.4Very high48 Ų4832.6 Ų32.626%0.25718%0.184SC..EExtended strand (participates in β ladder)trans-137.3103.7159.8-174-83.3000107.3L110 E418 S432 R433L110-N430 HydrophobicContact CB-CB 4.45Å; L110-N430 HydrophobicContact CD1-CB 3.75Å; L110-N430 HydrophobicContact CD2-CB 4.15Å; L110-N430 HydrophobicContact CG-CB 4.34Å; E418-N430 WeakPolarHBondContact OE1-CA 3.5Å; E418-N430 PolarHBondContact OE2-ND2 2.98Å; N430-S432 PolarHBondContact O-N 3.21Å; N430-R433 PolarHBondContact N-O 2.91Å; N430-R433 PolarHBondContact O-N 3.07Å; N430-R433 VanDerWaalsContact O-N 3.15Å
431G86Confident93.6Very high20 Ų2031.3 Ų31.321%0.20617%0.174CC..THydrogen-bonded Turntrans56-126.6-166.200000112R433G431-R433 VanDerWaalsContact C-N 3.33Å
432S84.9Confident93.7Very high108 Ų10833 Ų3376%0.75519%0.185SC*.THydrogen-bonded Turntrans-77.5-15.4179.859.50000114.2R429 N430R429-S432 PolarHBondContact NH1-O 2.89Å; N430-S432 PolarHBondContact O-N 3.21Å
433R91.4Very high93.7Very high102 Ų10239.5 Ų39.539%0.38520%0.203SC..EExtended strand (participates in β ladder)trans-89.5142.3-172.4-55.1179.292.8-170.29.1111.3D104 N108 L110 R429 N430 G431D104-R433 IonicContact OD2-CZ 3.85Å; D104-R433 IonicContact OD2-NE 2.68Å; D104-R433 PolarHBondContact OD2-NE 3.02Å; D104-R433 IonicContact OD2-NH1 2.71Å; D104-R433 PolarHBondContact OD2-NH1 3.1Å; D104-R433 IonicContact OD2-NH2 3.44Å; D104-R433 PolarHBondContact OD2-NH2 3.35Å; N108-R433 PolarHBondContact ND2-NH2 3.12Å; L110-R433 HydrophobicContact CD2-CB 4.42Å; R429-R433 WeakPolarHBondContact CA-O 3.33Å; N430-R433 PolarHBondContact N-O 2.91Å; N430-R433 PolarHBondContact O-N 3.07Å; N430-R433 VanDerWaalsContact O-N 3.15Å; G431-R433 VanDerWaalsContact C-N 3.33Å
434H95.9Very high93.8Very high44 Ų4438 Ų3820%0.20419%0.186CC..EExtended strand (participates in β ladder)trans-75138.5168.2-67.3134000110.5D104 Q105 R429 S438D104-H434 VanDerWaalsContact CA-O 3.32Å; D104-H434 WeakPolarHBondContact CA-O 3.28Å; D104-H434 WeakPolarHBondContact CB-O 3.34Å; Q105-H434 HydrophobicContact CB-CB 4.47Å; Q105-H434 PolarHBondContact N-O 2.84Å; R429-H434 PolarHBondContact NH2-NE2 2.73Å; H434-S438 WeakPolarHBondContact CB-OG 3.37Å
435T97.3Very high94Very high5 Ų537.4 Ų37.43%0.03118%0.183CC..BIsolated β-bridgetrans-69.7162.1166.859.90000110.7M103 L110 I427 F428 F437 S438 S439M103-T435 CarbonylContact O-C 3.01Å; M103-T435 WeakPolarHBondContact O-CA 3.43Å; L110-T435 HydrophobicContact CD1-CG2 4.26Å; I427-T435 WeakPolarHBondContact O-CB 3.43Å; I427-T435 WeakPolarHBondContact O-CG2 3.43Å; I427-T435 PolarHBondContact O-OG1 2.78Å; F428-T435 PolarHBondContact O-N 2.9Å; F428-T435 VanDerWaalsContact O-N 3.1Å; F428-T435 PolarHBondContact O-OG1 3.08Å; T435-F437 VanDerWaalsContact C-N 3.26Å; T435-F437 PolarHBondContact O-N 3.4Å; T435-S438 PolarHBondContact N-OG 3.48Å; T435-S438 PolarHBondContact O-N 3.05Å; T435-S438 PolarHBondContact O-OG 3.12Å; T435-S438 VanDerWaalsContact O-OG 3.08Å; T435-S438 PolarHBondContact OG1-N 2.9Å; T435-S438 VanDerWaalsContact OG1-N 3.16Å; T435-S438 PolarHBondContact OG1-OG 2.81Å; T435-S439 PolarHBondContact O-N 3.43Å
436F96.4Very high94.1Very high30 Ų3037.3 Ų37.313%0.13218%0.181CC..Hα-helixtrans-53.2-47.1169.4176.6-103.1000110.8W92 M103 I142 S438 S439 Q440W92-F436 HydrophobicContact CZ2-CD2 4.09Å; W92-F436 HydrophobicContact CZ2-CE1 4.42Å; W92-F436 AromaticContact CZ2-CE2 3.98Å; W92-F436 HydrophobicContact CZ2-CE2 3.98Å; W92-F436 HydrophobicContact CZ2-CG 4.35Å; W92-F436 HydrophobicContact CZ2-CZ 4.15Å; W92-F436 AromaticContact NE1-CD1 3.45Å; W92-F436 AromaticContact NE1-CE1 3.68Å; W92-F436 AromaticContact NE1-CG 3.85Å; M103-F436 HydrophobicContact CB-CB 4.02Å; M103-F436 PolarHBondContact O-N 3.29Å; I142-F436 HydrophobicContact CD1-CE1 3.99Å; I142-F436 HydrophobicContact CD1-CZ 4.15Å; I142-F436 HydrophobicContact CG2-CE1 4.21Å; F436-S438 PolarHBondContact O-N 3.33Å; F436-S439 WeakPolarHBondContact O-CB 3.42Å; F436-S439 PolarHBondContact O-N 3.11Å; F436-S439 PolarHBondContact O-OG 2.77Å; F436-Q440 HydrophobicContact CD1-CG 4.25Å; F436-Q440 HydrophobicContact CD2-CG 4.49Å; F436-Q440 HydrophobicContact CE1-CG 3.87Å; F436-Q440 HydrophobicContact CE2-CG 4.14Å; F436-Q440 HydrophobicContact CZ-CG 3.82Å; F436-Q440 VanDerWaalsContact O-CG 3.28Å; F436-Q440 WeakPolarHBondContact O-CG 2.93Å; F436-Q440 PolarHBondContact O-N 3.19Å; F436-Q440 VanDerWaalsContact O-N 3.1Å
437F96.5Very high94.2Very high3 Ų337.1 Ų37.11%0.01318%0.18CC..Hα-helixtrans-54.8-51.9178.4-177.8-95.2000112.8R89 V340 I359 I427 F428 T435 S439 Q440 V441R89-F437 HydrophobicContact CB-CD2 4.41Å; R89-F437 HydrophobicContact CB-CE2 4.26Å; V340-F437 HydrophobicContact CG2-CE2 4.1Å; I359-F437 HydrophobicContact CD1-CE1 4.18Å; I359-F437 HydrophobicContact CD1-CZ 4.32Å; I359-F437 HydrophobicContact CG2-CE1 4.13Å; I359-F437 HydrophobicContact CG2-CZ 4.13Å; I427-F437 HydrophobicContact CD1-CD1 3.62Å; I427-F437 HydrophobicContact CD1-CD2 4.27Å; I427-F437 HydrophobicContact CD1-CE1 3.5Å; I427-F437 VanDerWaalsContact CD1-CE1 3.5Å; I427-F437 HydrophobicContact CD1-CE2 4.17Å; I427-F437 HydrophobicContact CD1-CG 4.01Å; I427-F437 HydrophobicContact CD1-CZ 3.79Å; I427-F437 HydrophobicContact CG1-CB 4.37Å; I427-F437 HydrophobicContact CG1-CD1 3.6Å; I427-F437 HydrophobicContact CG1-CE1 3.99Å; I427-F437 HydrophobicContact CG1-CG 3.96Å; F428-F437 HydrophobicContact CD1-CD1 4.45Å; F428-F437 HydrophobicContact CE1-CD1 4.33Å; F428-F437 HydrophobicContact CE1-CE1 4Å; F428-F437 HydrophobicContact CZ-CE1 4.37Å; T435-F437 VanDerWaalsContact C-N 3.26Å; T435-F437 PolarHBondContact O-N 3.4Å; F437-S439 VanDerWaalsContact C-N 3.29Å; F437-S439 PolarHBondContact O-N 3.49Å; F437-Q440 WeakPolarHBondContact O-CB 3.15Å; F437-Q440 PolarHBondContact O-N 3.42Å; F437-Q440 VanDerWaalsContact O-N 3.09Å; F437-V441 HydrophobicContact CD1-CG2 4.03Å; F437-V441 HydrophobicContact CE1-CG2 3.67Å; F437-V441 HydrophobicContact CZ-CG2 4.04Å; F437-V441 WeakPolarHBondContact O-CG2 3.24Å; F437-V441 PolarHBondContact O-N 3.26Å
438S96.3Very high94.3Very high4 Ų438.9 Ų38.93%0.02819%0.187CC..Hα-helixtrans-65.7-33-179.460.80000113.1F428 H434 T435 F436 Q440 V441 L442F428-S438 VanDerWaalsContact O-CB 3.24Å; F428-S438 WeakPolarHBondContact O-CB 3.45Å; F428-S438 PolarHBondContact O-OG 2.93Å; H434-S438 WeakPolarHBondContact CB-OG 3.37Å; T435-S438 PolarHBondContact N-OG 3.48Å; T435-S438 PolarHBondContact O-N 3.05Å; T435-S438 PolarHBondContact O-OG 3.12Å; T435-S438 VanDerWaalsContact O-OG 3.08Å; T435-S438 PolarHBondContact OG1-N 2.9Å; T435-S438 VanDerWaalsContact OG1-N 3.16Å; T435-S438 PolarHBondContact OG1-OG 2.81Å; F436-S438 PolarHBondContact O-N 3.33Å; S438-Q440 VanDerWaalsContact C-N 3.28Å; S438-Q440 PolarHBondContact O-N 3.21Å; S438-V441 PolarHBondContact O-N 3.03Å; S438-L442 VanDerWaalsContact O-CB 3.3Å; S438-L442 WeakPolarHBondContact O-CB 3.3Å; S438-L442 VanDerWaalsContact O-CG 3.29Å; S438-L442 WeakPolarHBondContact O-CG 3.42Å; S438-L442 PolarHBondContact O-N 3.46Å
439S95.6Very high94.4Very high17 Ų1737.7 Ų37.712%0.11918%0.182CC..Hα-helixtrans-61.7-37.8173.680.30000111.9Q105 T435 F436 F437 L442 R443Q105-S439 VanDerWaalsContact CB-CB 3.42Å; T435-S439 PolarHBondContact O-N 3.43Å; F436-S439 WeakPolarHBondContact O-CB 3.42Å; F436-S439 PolarHBondContact O-N 3.11Å; F436-S439 PolarHBondContact O-OG 2.77Å; F437-S439 VanDerWaalsContact C-N 3.29Å; F437-S439 PolarHBondContact O-N 3.49Å; S439-L442 PolarHBondContact O-N 2.85Å; S439-R443 WeakPolarHBondContact O-CB 3.44Å; S439-R443 PolarHBondContact O-N 2.71Å
440Q94.6Very high94.6Very high30 Ų3035.4 Ų35.414%0.1418%0.175CC..Hα-helixtrans-69.9-41.5176.9-58.2-74.183.800111.1V340 F436 F437 S438 R443 Y444V340-Q440 HydrophobicContact CG1-CB 3.89Å; F436-Q440 HydrophobicContact CD1-CG 4.25Å; F436-Q440 HydrophobicContact CD2-CG 4.49Å; F436-Q440 HydrophobicContact CE1-CG 3.87Å; F436-Q440 HydrophobicContact CE2-CG 4.14Å; F436-Q440 HydrophobicContact CZ-CG 3.82Å; F436-Q440 VanDerWaalsContact O-CG 3.28Å; F436-Q440 WeakPolarHBondContact O-CG 2.93Å; F436-Q440 PolarHBondContact O-N 3.19Å; F436-Q440 VanDerWaalsContact O-N 3.1Å; F437-Q440 WeakPolarHBondContact O-CB 3.15Å; F437-Q440 PolarHBondContact O-N 3.42Å; F437-Q440 VanDerWaalsContact O-N 3.09Å; S438-Q440 VanDerWaalsContact C-N 3.28Å; S438-Q440 PolarHBondContact O-N 3.21Å; Q440-R443 PolarHBondContact O-N 3.43Å; Q440-Y444 HydrophobicContact CB-CD2 4.22Å; Q440-Y444 HydrophobicContact CB-CE2 4.38Å; Q440-Y444 VanDerWaalsContact O-CD2 3.23Å; Q440-Y444 WeakPolarHBondContact O-CD2 3.4Å; Q440-Y444 PolarHBondContact O-N 3.44Å
441V96.1Very high94.9Very high2 Ų233.9 Ų33.91%0.01217%0.168CC..Hα-helixtrans-58.6-51172.4176.60000110.3N29 L357 I359 F428 F437 S438 R443 A445 Y448N29-V441 PolarHBondContact ND2-O 3.18Å; N29-V441 VanDerWaalsContact ND2-O 3.1Å; L357-V441 HydrophobicContact CD2-CB 4.36Å; L357-V441 HydrophobicContact CD2-CG1 4.19Å; L357-V441 HydrophobicContact CD2-CG2 3.76Å; I359-V441 HydrophobicContact CD1-CG1 3.95Å; I359-V441 HydrophobicContact CD1-CG2 3.72Å; F428-V441 HydrophobicContact CE1-CG2 4.41Å; F437-V441 HydrophobicContact CD1-CG2 4.03Å; F437-V441 HydrophobicContact CE1-CG2 3.67Å; F437-V441 HydrophobicContact CZ-CG2 4.04Å; F437-V441 WeakPolarHBondContact O-CG2 3.24Å; F437-V441 PolarHBondContact O-N 3.26Å; S438-V441 PolarHBondContact O-N 3.03Å; V441-R443 VanDerWaalsContact C-N 3.25Å; V441-R443 PolarHBondContact O-N 3.36Å; V441-A445 HydrophobicContact CG1-CB 4.49Å; V441-A445 WeakPolarHBondContact O-CB 3.37Å; V441-A445 PolarHBondContact O-N 3.15Å; V441-A445 VanDerWaalsContact O-N 3.12Å; V441-Y448 HydrophobicContact CG1-CD1 4.11Å; V441-Y448 HydrophobicContact CG1-CD2 4.34Å; V441-Y448 HydrophobicContact CG1-CE1 4.46Å; V441-Y448 HydrophobicContact CG1-CG 4.05Å
442L94.8Very high95.4Very high65 Ų6533 Ų3334%0.3416%0.158SC..Hα-helixtrans-64.3-26.2179-76.1174.3000112.7R30 S438 S439R30-L442 PolarHBondContact NH1-O 3.4Å; R30-L442 PolarHBondContact NH2-O 3.08Å; S438-L442 VanDerWaalsContact O-CB 3.3Å; S438-L442 WeakPolarHBondContact O-CB 3.3Å; S438-L442 VanDerWaalsContact O-CG 3.29Å; S438-L442 WeakPolarHBondContact O-CG 3.42Å; S438-L442 PolarHBondContact O-N 3.46Å; S439-L442 PolarHBondContact O-N 2.85Å
443R92.6Very high96Very high157 Ų15728.4 Ų28.459%0.59213%0.125SC*.Hα-helixtrans-86.3-45.8179.4-172.6170.5-176.8170.22.6112.4R30 S439 Q440 V441R30-R443 PolarHBondContact NH1-O 2.88Å; R30-R443 PolarHBondContact NH2-O 2.68Å; S439-R443 WeakPolarHBondContact O-CB 3.44Å; S439-R443 PolarHBondContact O-N 2.71Å; Q440-R443 PolarHBondContact O-N 3.43Å; V441-R443 VanDerWaalsContact C-N 3.25Å; V441-R443 PolarHBondContact O-N 3.36Å
444Y92.6Very high96.3Very high20 Ų2023.7 Ų23.78%0.07811%0.108CC..Hα-helixtrans-101.2-44.6-166.9-57.1-61.4000113.8V340 L345 K348 T355 Q440 D446V340-Y444 HydrophobicContact CG1-CD2 4.45Å; L345-Y444 HydrophobicContact CB-CD2 4.44Å; L345-Y444 HydrophobicContact CB-CG 4.33Å; L345-Y444 HydrophobicContact CD1-CD2 4.03Å; L345-Y444 HydrophobicContact CD1-CE1 4.09Å; L345-Y444 HydrophobicContact CD1-CE2 3.55Å; L345-Y444 HydrophobicContact CD1-CG 4.49Å; L345-Y444 HydrophobicContact CG-CD1 4.1Å; L345-Y444 HydrophobicContact CG-CD2 4.31Å; L345-Y444 HydrophobicContact CG-CE1 3.97Å; L345-Y444 HydrophobicContact CG-CE2 4.17Å; L345-Y444 HydrophobicContact CG-CG 4.28Å; K348-Y444 WeakPolarHBondContact CD-O 3.42Å; K348-Y444 WeakPolarHBondContact CE-O 3.46Å; K348-Y444 PolarHBondContact NZ-O 3.16Å; T355-Y444 PolarHBondContact OG1-O 3.32Å; Q440-Y444 HydrophobicContact CB-CD2 4.22Å; Q440-Y444 HydrophobicContact CB-CE2 4.38Å; Q440-Y444 VanDerWaalsContact O-CD2 3.23Å; Q440-Y444 WeakPolarHBondContact O-CD2 3.4Å; Q440-Y444 PolarHBondContact O-N 3.44Å; Y444-D446 PolarHBondContact O-N 3.21Å
445A95.9Very high96.3Very high0 Ų021.9 Ų21.90%010%0.099CC..  trans-70.4133.9-176.600000111.4N29 R30 I344 L357 V441N29-A445 VanDerWaalsContact CB-O 3.32Å; N29-A445 WeakPolarHBondContact CB-O 3.23Å; N29-A445 PolarHBondContact ND2-O 3.26Å; R30-A445 PolarHBondContact NH1-O 2.93Å; I344-A445 HydrophobicContact CG2-CB 4.29Å; L357-A445 HydrophobicContact CB-CB 3.74Å; L357-A445 HydrophobicContact CD2-CB 4.14Å; V441-A445 HydrophobicContact CG1-CB 4.49Å; V441-A445 WeakPolarHBondContact O-CB 3.37Å; V441-A445 PolarHBondContact O-N 3.15Å; V441-A445 VanDerWaalsContact O-N 3.12Å
446D96.8Very high96.2Very high2 Ų223.2 Ų23.21%0.01111%0.106CC..SBendtrans-78.2-46169.6-58.9-46.6000110.6N29 R30 K348 R354 T355 Y444N29-D446 PolarHBondContact N-O 3.41Å; R30-D446 HydrophobicContact CB-CB 4.03Å; R30-D446 WeakPolarHBondContact CB-OD1 3.45Å; R30-D446 WeakPolarHBondContact CD-OD1 3.22Å; R30-D446 PolarHBondContact N-O 2.96Å; R30-D446 VanDerWaalsContact N-O 3.09Å; K348-D446 IonicContact NZ-OD1 3.08Å; K348-D446 PolarHBondContact NZ-OD1 3.33Å; R354-D446 VanDerWaalsContact CA-OD2 3.28Å; R354-D446 WeakPolarHBondContact CA-OD2 3.29Å; T355-D446 PolarHBondContact N-OD2 2.99Å; T355-D446 WeakPolarHBondContact O-CB 3.36Å; T355-D446 PolarHBondContact O-N 3.4Å; T355-D446 PolarHBondContact OG1-N 3.01Å; T355-D446 PolarHBondContact OG1-OD2 3.21Å; Y444-D446 PolarHBondContact O-N 3.21Å
447L98Very high96.2Very high0 Ų024.8 Ų24.80%011%0.111CC..EExtended strand (participates in β ladder)trans-122.4153.2175.7-56.1179.5000110.2I26 F27 V28 L32 L334 T355 Y356 L357 F464I26-L447 HydrophobicContact CG2-CB 3.81Å; I26-L447 HydrophobicContact CG2-CD1 4.27Å; I26-L447 HydrophobicContact CG2-CD2 4.21Å; I26-L447 HydrophobicContact CG2-CG 4.32Å; F27-L447 CarbonylContact O-C 3.48Å; F27-L447 VanDerWaalsContact O-CA 3.3Å; F27-L447 WeakPolarHBondContact O-CA 3.27Å; V28-L447 HydrophobicContact CB-CD2 4.19Å; V28-L447 HydrophobicContact CG1-CD2 3.91Å; V28-L447 HydrophobicContact CG2-CD2 3.89Å; L32-L447 HydrophobicContact CD1-CD1 4.39Å; L32-L447 HydrophobicContact CD2-CD1 4.44Å; L334-L447 HydrophobicContact CD1-CD1 4.47Å; T355-L447 PolarHBondContact O-N 3.08Å; Y356-L447 CarbonylContact C-O 3.59Å; Y356-L447 WeakPolarHBondContact CA-O 3.47Å; Y356-L447 HydrophobicContact CD2-CB 3.7Å; Y356-L447 HydrophobicContact CE2-CB 4.44Å; Y356-L447 HydrophobicContact CG-CB 4.07Å; L357-L447 PolarHBondContact N-O 3.4Å; L447-F464 HydrophobicContact CD1-CD2 3.84Å; L447-F464 HydrophobicContact CD1-CE2 3.83Å; L447-F464 HydrophobicContact CD1-CG 4.41Å; L447-F464 HydrophobicContact CD1-CZ 4.43Å; L447-F464 HydrophobicContact CD2-CB 3.97Å; L447-F464 HydrophobicContact CD2-CD1 4.13Å; L447-F464 HydrophobicContact CD2-CD2 4.03Å; L447-F464 HydrophobicContact CD2-CG 3.78Å
448Y98.1Very high96.1Very high39 Ų3925.6 Ų25.615%0.15311%0.114CC..EExtended strand (participates in β ladder)trans-151.7152.6168.867-79.1000112.7F27 N29 L357 I359 L362 V441F27-Y448 HydrophobicContact CB-CD1 3.84Å; F27-Y448 HydrophobicContact CB-CD2 4.05Å; F27-Y448 HydrophobicContact CB-CE1 3.4Å; F27-Y448 HydrophobicContact CB-CE2 3.62Å; F27-Y448 HydrophobicContact CB-CG 4.15Å; F27-Y448 HydrophobicContact CD2-CD2 4.42Å; F27-Y448 HydrophobicContact CD2-CE2 4.09Å; F27-Y448 HydrophobicContact CG-CE1 4.49Å; F27-Y448 AromaticContact CG-CE2 3.94Å; F27-Y448 HydrophobicContact CG-CE2 3.94Å; F27-Y448 AromaticContact CG-CZ 3.92Å; F27-Y448 PolarHBondContact N-O 2.8Å; F27-Y448 PolarHBondContact O-N 3.27Å; N29-Y448 WeakPolarHBondContact OD1-CE1 3.29Å; L357-Y448 WeakPolarHBondContact O-CA 3.44Å; L357-Y448 WeakPolarHBondContact O-CB 3.2Å; I359-Y448 HydrophobicContact CD1-CD2 4.13Å; L362-Y448 HydrophobicContact CD1-CE2 4.37Å; L362-Y448 HydrophobicContact CD2-CD2 3.84Å; L362-Y448 HydrophobicContact CD2-CE2 3.99Å; V441-Y448 HydrophobicContact CG1-CD1 4.11Å; V441-Y448 HydrophobicContact CG1-CD2 4.34Å; V441-Y448 HydrophobicContact CG1-CE1 4.46Å; V441-Y448 HydrophobicContact CG1-CG 4.05Å
449S98Very high96Very high0 Ų028.5 Ų28.50%013%0.133CC..EExtended strand (participates in β ladder)trans-159.6-179.2173.671.40000109.9Y356 L357 I358 I359 S451Y356-S449 WeakPolarHBondContact CE2-OG 3.27Å; Y356-S449 VanDerWaalsContact CZ-OG 3.3Å; Y356-S449 WeakPolarHBondContact OH-CB 3.36Å; Y356-S449 PolarHBondContact OH-OG 2.99Å; L357-S449 PolarHBondContact O-N 3.42Å; L357-S449 VanDerWaalsContact O-N 3.1Å; I358-S449 CarbonylContact C-O 3.55Å; I358-S449 WeakPolarHBondContact CA-O 3.05Å; I359-S449 PolarHBondContact N-O 3.37Å; S449-S451 PolarHBondContact OG-N 2.93Å; S449-S451 PolarHBondContact OG-O 3.11Å
450F96.7Very high95.8Very high48 Ų4829.4 Ų29.421%0.21114%0.137CC..SBendtrans-83.1-13.9174.363.9-95.2000114.4K23 I359 L362 A363 N454K23-F450 WeakPolarHBondContact O-CE1 3.39Å; K23-F450 WeakPolarHBondContact O-CZ 3.35Å; I359-F450 VanDerWaalsContact O-CA 3.26Å; I359-F450 WeakPolarHBondContact O-CA 3.32Å; L362-F450 HydrophobicContact CB-CB 4.19Å; A363-F450 HydrophobicContact CB-CB 4.06Å; A363-F450 HydrophobicContact CB-CD1 4.45Å; A363-F450 HydrophobicContact CB-CD2 4.4Å; A363-F450 HydrophobicContact CB-CG 4.05Å; F450-N454 WeakPolarHBondContact CE1-ND2 3.33Å
451S97.4Very high95.8Very high16 Ų1632.4 Ų32.411%0.11216%0.16CC..  trans-155143.1178.7176.20000111.2Y356 S449 I453 N454Y356-S451 PolarHBondContact OH-O 3.49Å; S449-S451 PolarHBondContact OG-N 2.93Å; S449-S451 PolarHBondContact OG-O 3.11Å; S451-I453 PolarHBondContact O-N 3.37Å; S451-I453 WeakPolarHBondContact OG-CB 3.49Å; S451-I453 PolarHBondContact OG-N 3.35Å; S451-N454 WeakPolarHBondContact O-CB 3.28Å; S451-N454 PolarHBondContact O-N 2.93Å; S451-N454 PolarHBondContact O-OD1 3.34Å
452C97.6Very high95.8Very high1 Ų136 Ų361%0.00717%0.174CC..G310 helixtrans-64.6-24.2175.768.70000112.3F42 T47 V336 I358 N454 L455F42-C452 HydrophobicContact CE1-CB 4.2Å; T47-C452 PolarHBondContact O-SG 2.98Å; V336-C452 HydrophobicContact CG1-CB 3.86Å; I358-C452 HydrophobicContact CD1-CB 3.92Å; I358-C452 HydrophobicContact CG1-CB 4.37Å; C452-N454 PolarHBondContact O-N 3.41Å; C452-N454 VanDerWaalsContact O-N 3.08Å; C452-L455 WeakPolarHBondContact O-CB 3.35Å; C452-L455 PolarHBondContact O-N 3.33Å; C452-L455 VanDerWaalsContact O-N 3.11Å
453I97.2Very high95.8Very high11 Ų1136.3 Ų36.36%0.05617%0.174CC..G310 helixtrans-59.1-24.3178.2-62.5179.1000111.3D218 R220 L221 S451 L455 I456D218-I453 HydrophobicContact CB-CD1 3.57Å; D218-I453 WeakPolarHBondContact OD2-CD1 3.48Å; R220-I453 HydrophobicContact CB-CG2 3.86Å; L221-I453 HydrophobicContact CD1-CG1 4.4Å; S451-I453 PolarHBondContact O-N 3.37Å; S451-I453 WeakPolarHBondContact OG-CB 3.49Å; S451-I453 PolarHBondContact OG-N 3.35Å; I453-L455 PolarHBondContact O-N 3.18Å; I453-I456 HydrophobicContact CG2-CG2 4.29Å; I453-I456 WeakPolarHBondContact O-CB 3.44Å; I453-I456 WeakPolarHBondContact O-CG2 3.18Å; I453-I456 PolarHBondContact O-N 3.48Å
454N97.4Very high96Very high4 Ų429 Ų292%0.02115%0.147CC..G310 helixtrans-56.5-22.3177.8-69.837.1000112.8K23 R25 I26 F450 S451 C452 I456 Y457 Y458K23-N454 PolarHBondContact O-ND2 3.34Å; R25-N454 PolarHBondContact O-ND2 2.88Å; I26-N454 HydrophobicContact CD1-CB 4.24Å; I26-N454 HydrophobicContact CG1-CB 3.73Å; F450-N454 WeakPolarHBondContact CE1-ND2 3.33Å; S451-N454 WeakPolarHBondContact O-CB 3.28Å; S451-N454 PolarHBondContact O-N 2.93Å; S451-N454 PolarHBondContact O-OD1 3.34Å; C452-N454 PolarHBondContact O-N 3.41Å; C452-N454 VanDerWaalsContact O-N 3.08Å; N454-I456 PolarHBondContact O-N 3.49Å; N454-Y457 WeakPolarHBondContact O-CD2 3.3Å; N454-Y457 PolarHBondContact O-N 3Å; N454-Y458 VanDerWaalsContact O-CD2 3.27Å; N454-Y458 WeakPolarHBondContact O-CD2 3.43Å
455L96.9Very high96.1Very high5 Ų536.8 Ų36.83%0.02618%0.176CC..G310 helixtrans-57.7-29.5172.6-79.7167.6000113.2I26 L224 Y356 C452 I453 Y457 Y458I26-L455 HydrophobicContact CD1-CD2 3.7Å; I26-L455 HydrophobicContact CD1-CG 3.92Å; L224-L455 HydrophobicContact CD1-CB 3.7Å; Y356-L455 HydrophobicContact CD1-CD1 3.95Å; Y356-L455 HydrophobicContact CD1-CG 4.25Å; Y356-L455 HydrophobicContact CE1-CD1 3.68Å; Y356-L455 HydrophobicContact CE1-CD2 4.25Å; Y356-L455 HydrophobicContact CE1-CG 3.63Å; C452-L455 WeakPolarHBondContact O-CB 3.35Å; C452-L455 PolarHBondContact O-N 3.33Å; C452-L455 VanDerWaalsContact O-N 3.11Å; I453-L455 PolarHBondContact O-N 3.18Å; L455-Y457 PolarHBondContact O-N 2.94Å; L455-Y458 PolarHBondContact O-N 3.07Å
456I95.5Very high96Very high33 Ų3338.1 Ų38.117%0.16919%0.187CC..G310 helixtrans-61.1-21.7-179-157.6173.4000113R220 T223 I453 N454 Y458R220-I456 HydrophobicContact CB-CD1 4.3Å; T223-I456 HydrophobicContact CG2-CD1 3.8Å; I453-I456 HydrophobicContact CG2-CG2 4.29Å; I453-I456 WeakPolarHBondContact O-CB 3.44Å; I453-I456 WeakPolarHBondContact O-CG2 3.18Å; I453-I456 PolarHBondContact O-N 3.48Å; N454-I456 PolarHBondContact O-N 3.49Å; I456-Y458 VanDerWaalsContact C-N 3.29Å
457Y95.4Very high95.6Very high64 Ų6442.8 Ų42.825%0.25122%0.217SC..G310 helixtrans-88.56.3-178.7-54.7-67.3000113.5R20 H24 R220 N454 L455R20-Y457 PolarHBondContact NE-O 3.23Å; R20-Y457 PolarHBondContact NH2-O 2.95Å; R20-Y457 VanDerWaalsContact NH2-O 3.15Å; H24-Y457 HydrophobicContact CB-CD1 4.25Å; H24-Y457 HydrophobicContact CB-CD2 3.63Å; H24-Y457 HydrophobicContact CB-CE2 4.11Å; H24-Y457 HydrophobicContact CB-CG 3.72Å; H24-Y457 AromaticContact CD2-CD2 3.78Å; H24-Y457 AromaticContact CD2-CE1 3.59Å; H24-Y457 AromaticContact CD2-CE2 3.32Å; H24-Y457 WeakPolarHBondContact CD2-CE2 3.5Å; H24-Y457 AromaticContact CD2-CZ 3.2Å; H24-Y457 AromaticContact CE1-CE1 3.93Å; H24-Y457 AromaticContact CG-CD1 3.89Å; H24-Y457 AromaticContact CG-CD2 3.82Å; H24-Y457 AromaticContact CG-CE1 3.91Å; H24-Y457 AromaticContact CG-CE2 3.86Å; H24-Y457 AromaticContact CG-CG 3.85Å; H24-Y457 AromaticContact CG-CZ 3.9Å; H24-Y457 AromaticContact NE2-CE1 3.63Å; H24-Y457 AromaticContact NE2-CZ 3.5Å; H24-Y457 PolarHBondContact NE2-OH 2.95Å; R220-Y457 PolarHBondContact NH1-OH 2.95Å; N454-Y457 WeakPolarHBondContact O-CD2 3.3Å; N454-Y457 PolarHBondContact O-N 3Å; L455-Y457 PolarHBondContact O-N 2.94Å
458Y95.3Very high95.2Very high19 Ų1946.7 Ų46.78%0.07525%0.25CS..SBendtrans-125.1133.4-179.1-64.8-95.7000110.5R20 H24 R25 I26 N454 L455 I456 Y462 F464R20-Y458 VanDerWaalsContact NH1-CE1 3.33Å; H24-Y458 WeakPolarHBondContact O-CE2 3.45Å; R25-Y458 WeakPolarHBondContact CA-OH 3.35Å; I26-Y458 HydrophobicContact CB-CE2 4.13Å; I26-Y458 HydrophobicContact CD1-CD2 3.92Å; I26-Y458 HydrophobicContact CD1-CE2 3.83Å; I26-Y458 HydrophobicContact CG1-CD2 4.36Å; I26-Y458 HydrophobicContact CG1-CE2 3.75Å; I26-Y458 PolarHBondContact N-OH 2.88Å; N454-Y458 VanDerWaalsContact O-CD2 3.27Å; N454-Y458 WeakPolarHBondContact O-CD2 3.43Å; L455-Y458 PolarHBondContact O-N 3.07Å; I456-Y458 VanDerWaalsContact C-N 3.29Å; Y458-Y462 AromaticContact CD1-CD1 3.45Å; Y458-Y462 HydrophobicContact CD1-CD1 3.45Å; Y458-Y462 VanDerWaalsContact CD1-CD1 3.45Å; Y458-Y462 HydrophobicContact CD1-CD2 4.01Å; Y458-Y462 AromaticContact CD1-CE1 3.53Å; Y458-Y462 HydrophobicContact CD1-CE1 3.53Å; Y458-Y462 HydrophobicContact CD1-CE2 4.11Å; Y458-Y462 AromaticContact CD1-CG 3.69Å; Y458-Y462 HydrophobicContact CD1-CG 3.69Å; Y458-Y462 AromaticContact CD1-CZ 3.87Å; Y458-Y462 AromaticContact CE1-CD1 3.96Å; Y458-Y462 HydrophobicContact CE1-CD1 3.96Å; Y458-Y462 AromaticContact CE1-CE1 3.54Å; Y458-Y462 HydrophobicContact CE1-CE1 3.54Å; Y458-Y462 HydrophobicContact CE1-CE2 4.39Å; Y458-Y462 AromaticContact CE1-CZ 3.79Å; Y458-Y462 HydrophobicContact CG-CD1 4.49Å; Y458-F464 AromaticContact CD1-CE1 3.76Å; Y458-F464 HydrophobicContact CD1-CE1 3.76Å; Y458-F464 AromaticContact CD1-CZ 3.71Å; Y458-F464 HydrophobicContact CD1-CZ 3.71Å; Y458-F464 HydrophobicContact CD2-CZ 4.32Å; Y458-F464 HydrophobicContact CE1-CD1 4.42Å; Y458-F464 AromaticContact CE1-CE1 3.43Å; Y458-F464 HydrophobicContact CE1-CE1 3.43Å; Y458-F464 VanDerWaalsContact CE1-CE1 3.43Å; Y458-F464 AromaticContact CE1-CZ 3.85Å; Y458-F464 HydrophobicContact CE1-CZ 3.85Å; Y458-F464 HydrophobicContact CE2-CE1 4.48Å; Y458-F464 HydrophobicContact CE2-CZ 4.49Å; Y458-F464 HydrophobicContact CG-CE1 4.38Å; Y458-F464 AromaticContact CG-CZ 3.94Å; Y458-F464 HydrophobicContact CG-CZ 3.94Å; Y458-F464 AromaticContact CZ-CE1 3.84Å
459P93.7Very high94.8Very high66 Ų6652.6 Ų52.643%0.42928%0.281SS..  trans-67.9150.9168.930.1-33.9000109.8C461 Y462P459-C461 PolarHBondContact O-N 2.94Å; P459-C461 VanDerWaalsContact O-N 3.12Å; P459-Y462 HydrophobicContact CG-CD2 4.36Å; P459-Y462 WeakPolarHBondContact O-CB 3.49Å; P459-Y462 PolarHBondContact O-N 3.1Å
460L92.1Very high94.4Very high35 Ų3557.5 Ų57.518%0.18331%0.307CS..THydrogen-bonded Turntrans-69.9-6.5178.3-64-166.4000114L34 D35 F40 L228 N231 Y462L34-L460 CarbonylContact C-O 3.5Å; L34-L460 WeakPolarHBondContact CB-O 3.39Å; L34-L460 HydrophobicContact CD1-CD2 4.34Å; D35-L460 WeakPolarHBondContact CA-O 3.42Å; D35-L460 PolarHBondContact N-O 3.48Å; F40-L460 HydrophobicContact CZ-CD2 4.2Å; L228-L460 HydrophobicContact CD2-CD1 4.2Å; L228-L460 HydrophobicContact CD2-CD2 3.86Å; N231-L460 HydrophobicContact CB-CD1 3.45Å; N231-L460 VanDerWaalsContact CB-CD1 3.45Å; N231-L460 HydrophobicContact CB-CG 4.38Å; L460-Y462 VanDerWaalsContact C-N 3.31Å
461C93.4Very high94.2Very high94 Ų9460.5 Ų60.564%0.63532%0.323SS*.THydrogen-bonded Turntrans-91.110.6166.9680000113.1P459P459-C461 PolarHBondContact O-N 2.94Å; P459-C461 VanDerWaalsContact O-N 3.12Å
462Y95.6Very high93.8Very high76 Ų7664.1 Ų64.130%0.29835%0.346SS..  trans-71.3134.5-177.9-165.4-99.9000111.6R20 L34 Y458 P459 L460 F464R20-Y462 PolarHBondContact NH1-OH 2.91Å; L34-Y462 PolarHBondContact N-O 2.92Å; Y458-Y462 AromaticContact CD1-CD1 3.45Å; Y458-Y462 HydrophobicContact CD1-CD1 3.45Å; Y458-Y462 VanDerWaalsContact CD1-CD1 3.45Å; Y458-Y462 HydrophobicContact CD1-CD2 4.01Å; Y458-Y462 AromaticContact CD1-CE1 3.53Å; Y458-Y462 HydrophobicContact CD1-CE1 3.53Å; Y458-Y462 HydrophobicContact CD1-CE2 4.11Å; Y458-Y462 AromaticContact CD1-CG 3.69Å; Y458-Y462 HydrophobicContact CD1-CG 3.69Å; Y458-Y462 AromaticContact CD1-CZ 3.87Å; Y458-Y462 AromaticContact CE1-CD1 3.96Å; Y458-Y462 HydrophobicContact CE1-CD1 3.96Å; Y458-Y462 AromaticContact CE1-CE1 3.54Å; Y458-Y462 HydrophobicContact CE1-CE1 3.54Å; Y458-Y462 HydrophobicContact CE1-CE2 4.39Å; Y458-Y462 AromaticContact CE1-CZ 3.79Å; Y458-Y462 HydrophobicContact CG-CD1 4.49Å; P459-Y462 HydrophobicContact CG-CD2 4.36Å; P459-Y462 WeakPolarHBondContact O-CB 3.49Å; P459-Y462 PolarHBondContact O-N 3.1Å; L460-Y462 VanDerWaalsContact C-N 3.31Å; Y462-F464 AromaticContact CD1-CD1 3.84Å; Y462-F464 HydrophobicContact CD1-CD1 3.84Å; Y462-F464 HydrophobicContact CD1-CD2 4.09Å; Y462-F464 AromaticContact CD1-CE1 3.82Å; Y462-F464 HydrophobicContact CD1-CE1 3.82Å; Y462-F464 HydrophobicContact CD1-CE2 4.07Å; Y462-F464 AromaticContact CD1-CG 3.98Å; Y462-F464 HydrophobicContact CD1-CG 3.98Å; Y462-F464 AromaticContact CD1-CZ 3.93Å; Y462-F464 HydrophobicContact CD1-CZ 3.93Å; Y462-F464 AromaticContact CE1-CD1 3.59Å; Y462-F464 HydrophobicContact CE1-CD1 3.59Å; Y462-F464 AromaticContact CE1-CE1 3.71Å; Y462-F464 HydrophobicContact CE1-CE1 3.71Å; Y462-F464 HydrophobicContact CE1-CG 4.09Å; Y462-F464 HydrophobicContact CE1-CZ 4.29Å
463M95.6Very high93.5Very high72 Ų7269.7 Ų69.736%0.35537%0.372SS..EExtended strand (participates in β ladder)trans-100.6104.6171.7179.5176.6-170.900109.5L32 Q33 R465L32-M463 CarbonylContact O-C 3.3Å; Q33-M463 HydrophobicContact CG-CB 4.37Å; Q33-M463 HydrophobicContact CG-CE 4.46Å; Q33-M463 HydrophobicContact CG-CG 3.94Å; Q33-M463 HydrophobicContact CG-SD 4.4Å; M463-R465 HydrophobicContact CE-CG 4.26Å; M463-R465 HydrophobicContact CG-CG 4.01Å; M463-R465 PolarHBondContact O-N 3.39Å; M463-R465 HydrophobicContact SD-CG 4.33Å; M463-R465 PolarHBondContact SD-NE 2.94Å; M463-R465 VanDerWaalsContact SD-NE 3.43Å
464F96.3Very high93.1Very high4 Ų473.9 Ų73.92%0.01839%0.391CS..EExtended strand (participates in β ladder)trans-67.1126.5165.3-69-73.5000109.2I26 V28 S31 L32 L34 L447 Y458 Y462I26-F464 HydrophobicContact CB-CE1 3.84Å; I26-F464 HydrophobicContact CB-CZ 4.13Å; I26-F464 HydrophobicContact CD1-CE1 4.49Å; I26-F464 HydrophobicContact CD1-CZ 3.93Å; I26-F464 HydrophobicContact CG2-CE1 4.02Å; I26-F464 HydrophobicContact CG2-CZ 4.21Å; V28-F464 HydrophobicContact CG1-CB 3.92Å; V28-F464 HydrophobicContact CG2-CB 3.84Å; V28-F464 HydrophobicContact CG2-CD1 3.46Å; V28-F464 VanDerWaalsContact CG2-CD1 3.46Å; V28-F464 HydrophobicContact CG2-CE1 4.4Å; V28-F464 HydrophobicContact CG2-CG 4.02Å; S31-F464 CarbonylContact C-O 3.59Å; S31-F464 WeakPolarHBondContact CA-O 3.46Å; S31-F464 WeakPolarHBondContact CB-O 3.4Å; L32-F464 HydrophobicContact CB-CB 4.41Å; L32-F464 HydrophobicContact CD2-CD2 4.13Å; L32-F464 PolarHBondContact N-O 2.9Å; L32-F464 WeakPolarHBondContact O-CB 3.28Å; L32-F464 PolarHBondContact O-N 3.25Å; L34-F464 HydrophobicContact CD1-CE2 3.81Å; L34-F464 HydrophobicContact CD2-CE2 4.05Å; L34-F464 HydrophobicContact CG-CD2 4.23Å; L34-F464 HydrophobicContact CG-CE2 3.8Å; L447-F464 HydrophobicContact CD1-CD2 3.84Å; L447-F464 HydrophobicContact CD1-CE2 3.83Å; L447-F464 HydrophobicContact CD1-CG 4.41Å; L447-F464 HydrophobicContact CD1-CZ 4.43Å; L447-F464 HydrophobicContact CD2-CB 3.97Å; L447-F464 HydrophobicContact CD2-CD1 4.13Å; L447-F464 HydrophobicContact CD2-CD2 4.03Å; L447-F464 HydrophobicContact CD2-CG 3.78Å; Y458-F464 AromaticContact CD1-CE1 3.76Å; Y458-F464 HydrophobicContact CD1-CE1 3.76Å; Y458-F464 AromaticContact CD1-CZ 3.71Å; Y458-F464 HydrophobicContact CD1-CZ 3.71Å; Y458-F464 HydrophobicContact CD2-CZ 4.32Å; Y458-F464 HydrophobicContact CE1-CD1 4.42Å; Y458-F464 AromaticContact CE1-CE1 3.43Å; Y458-F464 HydrophobicContact CE1-CE1 3.43Å; Y458-F464 VanDerWaalsContact CE1-CE1 3.43Å; Y458-F464 AromaticContact CE1-CZ 3.85Å; Y458-F464 HydrophobicContact CE1-CZ 3.85Å; Y458-F464 HydrophobicContact CE2-CE1 4.48Å; Y458-F464 HydrophobicContact CE2-CZ 4.49Å; Y458-F464 HydrophobicContact CG-CE1 4.38Å; Y458-F464 AromaticContact CG-CZ 3.94Å; Y458-F464 HydrophobicContact CG-CZ 3.94Å; Y458-F464 AromaticContact CZ-CE1 3.84Å; Y462-F464 AromaticContact CD1-CD1 3.84Å; Y462-F464 HydrophobicContact CD1-CD1 3.84Å; Y462-F464 HydrophobicContact CD1-CD2 4.09Å; Y462-F464 AromaticContact CD1-CE1 3.82Å; Y462-F464 HydrophobicContact CD1-CE1 3.82Å; Y462-F464 HydrophobicContact CD1-CE2 4.07Å; Y462-F464 AromaticContact CD1-CG 3.98Å; Y462-F464 HydrophobicContact CD1-CG 3.98Å; Y462-F464 AromaticContact CD1-CZ 3.93Å; Y462-F464 HydrophobicContact CD1-CZ 3.93Å; Y462-F464 AromaticContact CE1-CD1 3.59Å; Y462-F464 HydrophobicContact CE1-CD1 3.59Å; Y462-F464 AromaticContact CE1-CE1 3.71Å; Y462-F464 HydrophobicContact CE1-CE1 3.71Å; Y462-F464 HydrophobicContact CE1-CG 4.09Å; Y462-F464 HydrophobicContact CE1-CZ 4.29Å
465R94.3Very high92.6Very high184 Ų18477.3 Ų77.369%0.69442%0.415SS*.  trans-115116.7176.4-66.7-173.2176.4149.7-0.1108.8M463M463-R465 HydrophobicContact CE-CG 4.26Å; M463-R465 HydrophobicContact CG-CG 4.01Å; M463-R465 PolarHBondContact O-N 3.39Å; M463-R465 HydrophobicContact SD-CG 4.33Å; M463-R465 PolarHBondContact SD-NE 2.94Å; M463-R465 VanDerWaalsContact SD-NE 3.43Å
466A93.9Very high92Very high28 Ų2882.3 Ų82.323%0.23145%0.446CS..PPolyproline II helixtrans-66.8142169.700000109.2V28 N29 S31V28-A466 HydrophobicContact CG1-CB 4.09Å; N29-A466 WeakPolarHBondContact O-CB 3.33Å; S31-A466 PolarHBondContact OG-N 3.36Å
467P89.5Confident91.4Very high99 Ų9985.3 Ų85.364%0.64347%0.466SS*.PPolyproline II helixtrans-62.9153.5168.729.4-33.7000110.1M469P467-M469 PolarHBondContact O-N 3.24Å
468A89.6Confident90.7Very high83 Ų8385.4 Ų85.469%0.68648%0.476SS*.PPolyproline II helixtrans-59.9130.9169.700000109.4L470A468-L470 HydrophobicContact CB-CD2 4.22Å; A468-L470 PolarHBondContact O-N 3.01Å
469M88.5Confident89.9Confident163 Ų16394.1 Ų94.180%0.80352%0.517SS*.  trans-81.593.7172.9-70.8-176.862.900108.1P467 M471P467-M469 PolarHBondContact O-N 3.24Å; M469-M471 PolarHBondContact O-N 3.42Å
470L89.9Confident89Confident103 Ų10394.1 Ų94.154%0.53953%0.529SS..  trans-70.1128.9179.2-59.5-176.8000110.3A468 E474A468-L470 HydrophobicContact CB-CD2 4.22Å; A468-L470 PolarHBondContact O-N 3.01Å; L470-E474 VanDerWaalsContact CA-OE2 3.3Å; L470-E474 WeakPolarHBondContact CA-OE2 3.23Å; L470-E474 HydrophobicContact CB-CB 4.04Å; L470-E474 HydrophobicContact CD2-CB 4Å; L470-E474 HydrophobicContact CG-CB 4.47Å
471M92.6Very high88Confident111 Ų11197.1 Ų97.155%0.54755%0.545SS..  trans-65.8158.5163.7-67.1-63-75.100109.6M469 H473 E474 S475M469-M471 PolarHBondContact O-N 3.42Å; M471-H473 VanDerWaalsContact C-N 3.27Å; M471-H473 VanDerWaalsContact CB-CE1 3.47Å; M471-H473 WeakPolarHBondContact CB-CE1 3.38Å; M471-H473 PolarHBondContact O-N 3.16Å; M471-H473 VanDerWaalsContact O-N 3.15Å; M471-E474 HydrophobicContact CB-CG 4.27Å; M471-E474 PolarHBondContact N-OE2 3.45Å; M471-E474 PolarHBondContact O-N 3.01Å; M471-S475 PolarHBondContact O-N 3.06Å
472P90.5Very high86.8Confident92 Ų9294.7 Ų94.760%0.59753%0.529SS*.Hα-helixtrans-50.5-45-177.4-31.136.7000113.6E474 S475 T476P472-E474 VanDerWaalsContact C-N 3.34Å; P472-E474 PolarHBondContact O-N 3.01Å; P472-S475 PolarHBondContact O-N 2.92Å; P472-S475 VanDerWaalsContact O-N 3.13Å; P472-S475 PolarHBondContact O-OG 3.26Å; P472-T476 WeakPolarHBondContact O-CG2 3.5Å; P472-T476 PolarHBondContact O-N 3.37Å; P472-T476 PolarHBondContact O-OG1 3.22Å; P472-T476 VanDerWaalsContact O-OG1 3.07Å
473H90.5Very high85.4Confident118 Ų11895.8 Ų95.855%0.54655%0.545SS..Hα-helixtrans-64.4-34.1178.765.2-88.2000113.5M471 S475 V477M471-H473 VanDerWaalsContact C-N 3.27Å; M471-H473 VanDerWaalsContact CB-CE1 3.47Å; M471-H473 WeakPolarHBondContact CB-CE1 3.38Å; M471-H473 PolarHBondContact O-N 3.16Å; M471-H473 VanDerWaalsContact O-N 3.15Å; H473-S475 VanDerWaalsContact C-N 3.31Å; H473-V477 VanDerWaalsContact O-CB 3.24Å; H473-V477 WeakPolarHBondContact O-CB 3.42Å; H473-V477 WeakPolarHBondContact O-CG2 3.49Å; H473-V477 PolarHBondContact O-N 2.97Å; H473-V477 VanDerWaalsContact O-N 3.08Å
474E88.1Confident83.8Confident98 Ų9899.3 Ų99.346%0.45856%0.559SS.*Hα-helixtrans-73.4-26.9176.2-55.9175.1130.700111.7L470 M471 P472L470-E474 VanDerWaalsContact CA-OE2 3.3Å; L470-E474 WeakPolarHBondContact CA-OE2 3.23Å; L470-E474 HydrophobicContact CB-CB 4.04Å; L470-E474 HydrophobicContact CD2-CB 4Å; L470-E474 HydrophobicContact CG-CB 4.47Å; M471-E474 HydrophobicContact CB-CG 4.27Å; M471-E474 PolarHBondContact N-OE2 3.45Å; M471-E474 PolarHBondContact O-N 3.01Å; P472-E474 VanDerWaalsContact C-N 3.34Å; P472-E474 PolarHBondContact O-N 3.01Å
475S87.1Confident82.3Confident76 Ų76105.6 Ų105.653%0.53159%0.593SS.*Hα-helixtrans-83.5-24.5178.770.60000114M471 P472 H473M471-S475 PolarHBondContact O-N 3.06Å; P472-S475 PolarHBondContact O-N 2.92Å; P472-S475 VanDerWaalsContact O-N 3.13Å; P472-S475 PolarHBondContact O-OG 3.26Å; H473-S475 VanDerWaalsContact C-N 3.31Å
476T84.5Confident81Confident111 Ų111100.7 Ų100.768%0.68159%0.586SS**Hα-helixtrans-105.6-20.3-175.759.50000114P472P472-T476 WeakPolarHBondContact O-CG2 3.5Å; P472-T476 PolarHBondContact O-N 3.37Å; P472-T476 PolarHBondContact O-OG1 3.22Å; P472-T476 VanDerWaalsContact O-OG1 3.07Å
477V83.2Confident80.1Confident95 Ų95104.9 Ų104.958%0.57660%0.6SS**SBendtrans-92.5119.8178.6179.20000109.5H473H473-V477 VanDerWaalsContact O-CB 3.24Å; H473-V477 WeakPolarHBondContact O-CB 3.42Å; H473-V477 WeakPolarHBondContact O-CG2 3.49Å; H473-V477 PolarHBondContact O-N 2.97Å; H473-V477 VanDerWaalsContact O-N 3.08Å
478S80.7Confident79.1Confident66 Ų66103 Ų10346%0.46259%0.589SS.*  trans-78.3138.6178.7-179.30000111.1G480 D481S478-G480 PolarHBondContact O-N 3.35Å; S478-G480 PolarHBondContact OG-N 3.5Å; S478-D481 PolarHBondContact O-N 3.39Å
479H78.3Confident78.2Confident203 Ų203105.3 Ų105.394%0.9459%0.589SS**THydrogen-bonded Turntrans-68.4-11.6167.9-74.8-65000113.5D481H479-D481 VanDerWaalsContact C-N 3.31Å
480G75.2Confident77.3Confident66 Ų66100.9 Ų100.968%0.6857%0.569SS**THydrogen-bonded Turntrans-75.9-1917500000113.6S478 S482S478-G480 PolarHBondContact O-N 3.35Å; S478-G480 PolarHBondContact OG-N 3.5Å; G480-S482 PolarHBondContact O-N 3.16Å
481D69.8Low76.1Confident98 Ų9899 Ų9952%0.52456%0.559SS.*SBendtrans-76125.4179.9-59.8-26.6000109.2S478 H479 P483S478-D481 PolarHBondContact O-N 3.39Å; H479-D481 VanDerWaalsContact C-N 3.31Å; D481-P483 WeakPolarHBondContact O-CD 3.34Å
482S69.5Low75Confident43 Ų4397.7 Ų97.730%0.30157%0.566SS.*  trans-58.4126.5177.6170.10000109.6G480 K484 D485G480-S482 PolarHBondContact O-N 3.16Å; S482-K484 PolarHBondContact O-N 3.18Å; S482-K484 VanDerWaalsContact O-N 3.09Å; S482-K484 PolarHBondContact OG-N 3.36Å; S482-D485 WeakPolarHBondContact CB-OD2 3.32Å; S482-D485 PolarHBondContact O-N 3.09Å; S482-D485 VanDerWaalsContact O-N 3.12Å
483P66.3Low73.9Confident98 Ų9897.6 Ų97.664%0.63656%0.56SS**Hα-helixtrans-55.2-31.9173.9-2331.2000112D481 F487D481-P483 WeakPolarHBondContact O-CD 3.34Å; P483-F487 PolarHBondContact O-N 3Å
484K61.2Low72.6Confident147 Ų14797.6 Ų97.664%0.63957%0.57SS**Hα-helixtrans-70.7-32-176.4-63.3-177.2175.9-179.90112.2S482 S488S482-K484 PolarHBondContact O-N 3.18Å; S482-K484 VanDerWaalsContact O-N 3.09Å; S482-K484 PolarHBondContact OG-N 3.36Å; K484-S488 WeakPolarHBondContact O-CB 3.29Å; K484-S488 PolarHBondContact O-N 3.38Å; K484-S488 VanDerWaalsContact O-N 3.1Å; K484-S488 PolarHBondContact O-OG 3.35Å
485D65.6Low71.5Confident136 Ų13697.3 Ų97.373%0.72758%0.578SS**Hα-helixtrans-77.3-31.9-173-62.9-8.9000111.2S482S482-D485 WeakPolarHBondContact CB-OD2 3.32Å; S482-D485 PolarHBondContact O-N 3.09Å; S482-D485 VanDerWaalsContact O-N 3.12Å
486S67.1Low70.3Confident81 Ų8194.4 Ų94.457%0.56656%0.561SS**Hα-helixtrans-91.5-28.1179.4-62.80000114.4
487F74.7Confident69.1Low116 Ų11693.3 Ų93.351%0.50955%0.55SS.*Hα-helixtrans-136.114.2-169.1-59.3-70.3000115.3P483 D489 L490 D491P483-F487 PolarHBondContact O-N 3Å; F487-D489 PolarHBondContact O-N 2.83Å; F487-L490 HydrophobicContact CB-CD1 4.46Å; F487-L490 HydrophobicContact CD1-CD1 3.59Å; F487-L490 HydrophobicContact CD1-CG 4.44Å; F487-L490 HydrophobicContact CE1-CD1 4.29Å; F487-L490 HydrophobicContact CG-CD1 4.43Å; F487-L490 WeakPolarHBondContact O-CB 3.38Å; F487-L490 PolarHBondContact O-N 3.37Å; F487-D491 PolarHBondContact O-N 3.06Å
488S68.8Low67.9Low60 Ų6097.4 Ų97.442%0.4256%0.555SS.*Hα-helixtrans-52.7-38.5177.538.90000113.5K484 L490 D491 A492K484-S488 WeakPolarHBondContact O-CB 3.29Å; K484-S488 PolarHBondContact O-N 3.38Å; K484-S488 VanDerWaalsContact O-N 3.1Å; K484-S488 PolarHBondContact O-OG 3.35Å; S488-L490 VanDerWaalsContact C-N 3.3Å; S488-L490 PolarHBondContact O-N 3.26Å; S488-D491 PolarHBondContact O-N 3.12Å; S488-A492 PolarHBondContact O-N 3.01Å; S488-A492 VanDerWaalsContact O-N 3.16Å
489D70.6Confident66.9Low130 Ų130103.8 Ų103.870%0.69557%0.569SS**Hα-helixtrans-62.9-35.7177.1-64.6-24.4000112.5F487 A492 L493F487-D489 PolarHBondContact O-N 2.83Å; D489-A492 PolarHBondContact O-N 2.71Å; D489-L493 WeakPolarHBondContact O-CG 3.37Å; D489-L493 PolarHBondContact O-N 3.41Å
490L68.1Low66.4Low71 Ų71105.7 Ų105.737%0.37257%0.568SS.*Hα-helixtrans-73.6-31.5177.6-65.9-176.3000112.4F487 S488 A492 L493 G496 L497F487-L490 HydrophobicContact CB-CD1 4.46Å; F487-L490 HydrophobicContact CD1-CD1 3.59Å; F487-L490 HydrophobicContact CD1-CG 4.44Å; F487-L490 HydrophobicContact CE1-CD1 4.29Å; F487-L490 HydrophobicContact CG-CD1 4.43Å; F487-L490 WeakPolarHBondContact O-CB 3.38Å; F487-L490 PolarHBondContact O-N 3.37Å; S488-L490 VanDerWaalsContact C-N 3.3Å; S488-L490 PolarHBondContact O-N 3.26Å; L490-A492 VanDerWaalsContact C-N 3.29Å; L490-L493 HydrophobicContact CD2-CD1 4.37Å; L490-G496 WeakPolarHBondContact O-CA 3.38Å; L490-L497 HydrophobicContact CB-CD1 4.31Å; L490-L497 HydrophobicContact CD1-CD1 4.43Å
491D66.5Low66Low62 Ų62105.4 Ų105.433%0.33255%0.553SS.*Hα-helixtrans-70.5-26.9174.1-90.7-15.3000112.4F487 S488F487-D491 PolarHBondContact O-N 3.06Å; S488-D491 PolarHBondContact O-N 3.12Å
492A69.2Low65.8Low84 Ų84112.9 Ų112.969%0.69457%0.574SS**Hα-helixtrans-80.6-21.6178.600000113.7S488 D489 L490S488-A492 PolarHBondContact O-N 3.01Å; S488-A492 VanDerWaalsContact O-N 3.16Å; D489-A492 PolarHBondContact O-N 2.71Å; L490-A492 VanDerWaalsContact C-N 3.29Å
493L66.2Low65.2Low91 Ų91116.7 Ų116.748%0.47659%0.591SS.*SBendtrans-79.2133-177-73.8166.4000112.3D489 L490 C495 G496D489-L493 WeakPolarHBondContact O-CG 3.37Å; D489-L493 PolarHBondContact O-N 3.41Å; L490-L493 HydrophobicContact CD2-CD1 4.37Å; L493-C495 PolarHBondContact O-N 3.02Å; L493-C495 VanDerWaalsContact O-N 3.08Å; L493-G496 PolarHBondContact O-N 2.93Å
494P63.7Low64.7Low117 Ų117120.4 Ų120.476%0.7660%0.6SS**THydrogen-bonded Turntrans-66.1-13.3-178.323.6-32000114.6R499P494-R499 PolarHBondContact O-NE 3.29Å
495C66.1Low63.9Low92 Ų92120.8 Ų120.862%0.62261%0.607SS**THydrogen-bonded Turntrans-107.913.3172.361.20000113.5L493L493-C495 PolarHBondContact O-N 3.02Å; L493-C495 VanDerWaalsContact O-N 3.08Å
496G60Low63Low16 Ų16119.8 Ų119.817%0.16561%0.607CS.*SBendtrans-79.4-165.3-174.600000115.5L490 L493 R498 R499L490-G496 WeakPolarHBondContact O-CA 3.38Å; L493-G496 PolarHBondContact O-N 2.93Å; G496-R498 PolarHBondContact O-N 3.15Å; G496-R499 PolarHBondContact O-N 3.07Å; G496-R499 VanDerWaalsContact O-N 3.14Å
497L60.2Low61.7Low88 Ų88120.9 Ų120.946%0.46161%0.611SS.*G310 helixtrans-49.2-30.1-173.6-72.3168.8000113.9L490 R499 R500 T501L490-L497 HydrophobicContact CB-CD1 4.31Å; L490-L497 HydrophobicContact CD1-CD1 4.43Å; L497-R499 PolarHBondContact O-N 3.39Å; L497-R499 VanDerWaalsContact O-N 3.07Å; L497-R500 PolarHBondContact O-N 3.25Å; L497-R500 VanDerWaalsContact O-N 3.15Å; L497-T501 PolarHBondContact O-N 2.83Å; L497-T501 PolarHBondContact O-OG1 2.9Å; L497-T501 VanDerWaalsContact O-OG1 3.09Å
498R58Low59.9Low180 Ų180123.7 Ų123.768%0.67963%0.631SS**G310 helixtrans-53.3-26.7178.4-69.2-170.7179.4-157.90.1115.2G496 R500G496-R498 PolarHBondContact O-N 3.15Å; R498-R500 VanDerWaalsContact C-N 3.33Å; R498-R500 PolarHBondContact O-N 3.29Å
499R60.6Low58.5Low200 Ų200125.7 Ų125.776%0.75565%0.645SS**G310 helixtrans-73.2-21.3-178.9-77.2-170.7-177.1-165.4-0.7114.2P494 G496 L497P494-R499 PolarHBondContact O-NE 3.29Å; G496-R499 PolarHBondContact O-N 3.07Å; G496-R499 VanDerWaalsContact O-N 3.14Å; L497-R499 PolarHBondContact O-N 3.39Å; L497-R499 VanDerWaalsContact O-N 3.07Å
500R68Low57.4Low244 Ų244125.3 Ų125.392%0.92165%0.649SS**THydrogen-bonded Turntrans-110.8-7.9-178-68.3-173.7177177.9-0.5113.5L497 R498L497-R500 PolarHBondContact O-N 3.25Å; L497-R500 VanDerWaalsContact O-N 3.15Å; R498-R500 VanDerWaalsContact C-N 3.33Å; R498-R500 PolarHBondContact O-N 3.29Å
501T66Low55.9Low60 Ų60129.6 Ų129.637%0.36867%0.673SS.*  trans-113.6127.5-179.152.10000111.1L497 N503L497-T501 PolarHBondContact O-N 2.83Å; L497-T501 PolarHBondContact O-OG1 2.9Å; L497-T501 VanDerWaalsContact O-OG1 3.09Å; T501-N503 PolarHBondContact O-N 3Å
502R65.1Low54.3Low255 Ų255135.6 Ų135.696%0.96270%0.696SS**  trans-75.878.6164.1-79-176170.7170.7-2108.5
503N57.1Low52.6Low123 Ų123139.4 Ų139.466%0.65871%0.705SS**  trans-91.62.3176.7-78.90.9000113.7T501 I505T501-N503 PolarHBondContact O-N 3Å; N503-I505 PolarHBondContact O-N 3.17Å
504E55.3Low50.9Low175 Ų175138.8 Ų138.882%0.81872%0.72SS**  trans-84.493.1174.2-67-172.1-176.200110.7T506E504-T506 VanDerWaalsContact C-N 3.31Å; E504-T506 PolarHBondContact O-N 3Å; E504-T506 VanDerWaalsContact O-N 3.11Å
505I45.8Very low49.3Very low155 Ų155141.7 Ų141.780%0.79573%0.728SS**  trans-69.897.1154.4-59.1170.7000105N503 P507N503-I505 PolarHBondContact O-N 3.17Å; I505-P507 WeakPolarHBondContact O-CD 3.46Å; I505-P507 VanDerWaalsContact O-N 3.11Å
506T45Very low47.6Very low116 Ų116146.5 Ų146.571%0.71274%0.739SS**  trans-58.8116.4164.3-40.30000106.4E504 L508E504-T506 VanDerWaalsContact C-N 3.31Å; E504-T506 PolarHBondContact O-N 3Å; E504-T506 VanDerWaalsContact O-N 3.11Å; T506-L508 PolarHBondContact O-N 3.26Å; T506-L508 VanDerWaalsContact O-N 3.16Å
507P40.9Very low46.1Very low103 Ų103150.7 Ų150.767%0.66977%0.765SS**  trans-62.1124175-14.128.1000106.9I505 S509I505-P507 WeakPolarHBondContact O-CD 3.46Å; I505-P507 VanDerWaalsContact O-N 3.11Å; P507-S509 PolarHBondContact O-N 2.99Å
508L36.3Very low44.6Very low176 Ų176152.8 Ų152.892%0.92178%0.782SS**  trans-62.388.5164.7-79.7156.9000107.1T506 P510T506-L508 PolarHBondContact O-N 3.26Å; T506-L508 VanDerWaalsContact O-N 3.16Å; L508-P510 WeakPolarHBondContact O-CD 3.41Å
509S40.5Very low43.1Very low102 Ų102152.8 Ų152.871%0.71379%0.794SS**  trans-74121.9166.849.60000107.8P507 D511P507-S509 PolarHBondContact O-N 2.99Å; S509-D511 PolarHBondContact O-N 3.44Å
510P46.3Very low41.6Very low121 Ų121151.5 Ų151.579%0.78680%0.797SS**  trans-87.290.4176.633.1-26.3000107.3L508L508-P510 WeakPolarHBondContact O-CD 3.41Å
511D37.1Very low39.6Very low162 Ų162145 Ų14587%0.86679%0.789SS**  trans-135.4127.2162-100.5-33.2000113.4S509S509-D511 PolarHBondContact O-N 3.44Å
512K33.8Very low37.8Very low187 Ų187147.7 Ų147.781%0.81381%0.81SS**  trans-72.5148.3-177-70170.8172.6173.50110.2
513N33Very low35.9Very low165 Ų165143.8 Ų143.888%0.88280%0.803SS**  trans67.691.7156-62.1-12.1000117.5
514G30.5Very low34.6Very low77 Ų77149 Ų14979%0.79482%0.815SS**  trans-163.137.4167.600000114.4K516G514-K516 PolarHBondContact O-N 3.49Å; G514-K516 VanDerWaalsContact O-N 3.16Å
515L28.9Very low33.2Very low178 Ų178146.1 Ų146.193%0.93281%0.814SS**  trans-71.998166.4-95.1147.4000108.9
516K31.5Very low32.2Very low193 Ų193143.3 Ų143.384%0.83981%0.808SS**  trans-165.3104152.1-108.1169-171.2-173.40112.4G514G514-K516 PolarHBondContact O-N 3.49Å; G514-K516 VanDerWaalsContact O-N 3.16Å
517S29Very low31.3Very low104 Ų104145.8 Ų145.873%0.72782%0.817SS**  trans39.5107.4140.765.80000119.9
518T29.1Very low30.6Very low133 Ų133147.9 Ų147.982%0.81682%0.822SS**  -144.889.7128.6-16.20000108.5E520T518-E520 PolarHBondContact O-N 2.94Å
519L26.4Very low30.2Very low179 Ų179147.3 Ų147.394%0.93782%0.82SS**  trans-84.195.5161.9-93.4152.1000105.9
520E28.5Very low29.4Very low173 Ų173148.1 Ų148.181%0.80883%0.826SS**  trans-107.5114.2158.1-81.8-170.4167.400108.9T518 S522T518-E520 PolarHBondContact O-N 2.94Å; E520-S522 PolarHBondContact O-N 3.15Å
521S25.9Very low28.7Very low107 Ų107146.5 Ų146.575%0.74882%0.823SS**  trans-36.5122.3169.347.30000114.3
522S28.9Very low28.2Very low117 Ų117146 Ų14682%0.81882%0.818SS**  trans-131.8123.4143.554.70000109.1E520 Y524E520-S522 PolarHBondContact O-N 3.15Å; S522-Y524 PolarHBondContact O-N 2.97Å
523H24.8Very low27.7Very low173 Ų173143.6 Ų143.680%0.80182%0.824SS**  trans-62.1118.2-175.2-73.4-91.5000111.6
524Y28.2Very low27.4Very low234 Ų234143.9 Ų143.992%0.91882%0.82SS**  trans-137.7115.3141.1-93.2-80.1000109.1S522S522-Y524 PolarHBondContact O-N 2.97Å
525S27.1Very low27.4Very low113 Ų113145.2 Ų145.279%0.7982%0.817SS**  trans-58.1141.6-176.831.10000113.1
526S24.2Very low27.4Very low97 Ų97144.7 Ų144.768%0.67882%0.815SS**  trans-47.213017156.20000113.5
527N27.6Very low27.4Very low168 Ų168144.1 Ų144.190%0.89882%0.816SS**  trans-127.299.3137.1-101.9-13.4000107.4N529N527-N529 PolarHBondContact O-N 2.92Å
528N25.1Very low27.6Very low146 Ų146148.3 Ų148.378%0.78182%0.824SS**  trans-65.4120.4161.9-81.9-24.8000107.6
529N28Very low27.6Very low164 Ų164150.7 Ų150.788%0.87783%0.826SS**  trans-149.3100.1144.2-98-17.3000108.5N527N527-N529 PolarHBondContact O-N 2.92Å
530S24.6Very low27.7Very low120 Ų120149.6 Ų149.684%0.83982%0.821SS**  trans-71.6115.3160.348.70000109.6
531A30.1Very low27.9Very low87 Ų87148.3 Ų148.372%0.71982%0.819SS**  trans-157.190.315700000105.6
532I26.8Very low28.2Very low150 Ų150147.5 Ų147.577%0.76981%0.814SS**  53.8100.4105.7-58.6176.5000110.7E534I532-E534 HydrophobicContact CG2-CG 4.48Å; I532-E534 PolarHBondContact O-N 3.19Å; I532-E534 VanDerWaalsContact O-N 3.12Å
533C23.7Very low28.7Very low137 Ų137151.2 Ų151.293%0.92682%0.816SS**  trans-63.9101.1166.3-56.50000108.9
534E26.5Very low29.4Very low171 Ų171150 Ų15080%0.79982%0.815SS**  trans-90.5137.1156.9-83.3-178.1165.400109I532I532-E534 HydrophobicContact CG2-CG 4.48Å; I532-E534 PolarHBondContact O-N 3.19Å; I532-E534 VanDerWaalsContact O-N 3.12Å
535S29.6Very low29.6Very low106 Ų106143.6 Ų143.674%0.74180%0.804SS**  trans-55.9128.9-178.343.50000112.6E537S535-E537 PolarHBondContact O-N 2.91Å; S535-E537 VanDerWaalsContact O-N 3.09Å
536D30.8Very low30.4Very low166 Ų166149.7 Ų149.789%0.88883%0.828SS**  trans-60.5108.2165-67.4-45.8000109.3
537E30.3Very low30.7Very low182 Ų182152.3 Ų152.385%0.8584%0.835SS**PPolyproline II helixtrans-66.5127.5162.1-72.5-175153.400108.5S535 Q539S535-E537 PolarHBondContact O-N 2.91Å; S535-E537 VanDerWaalsContact O-N 3.09Å; E537-Q539 PolarHBondContact O-N 3.3Å
538E32.4Very low30.8Very low191 Ų191151.5 Ų151.589%0.89383%0.832SS**PPolyproline II helixtrans-56.2117.3176.8-68.9178.7156.200109.8D540E538-D540 PolarHBondContact O-N 3.49Å
539Q29.4Very low31.2Very low184 Ų184151.8 Ų151.886%0.8684%0.835SS**PPolyproline II helixtrans-63.4123.3172.5-79.8179.2-14.900110.4E537 D541E537-Q539 PolarHBondContact O-N 3.3Å; Q539-D541 PolarHBondContact O-N 3.23Å
540D29.9Very low31.3Very low156 Ų156151.1 Ų151.183%0.83483%0.832SS**  trans-62.6108.5168.3-89.6-42.7000110.6E538 S542E538-D540 PolarHBondContact O-N 3.49Å; D540-S542 VanDerWaalsContact C-N 3.32Å; D540-S542 PolarHBondContact O-N 3.08Å
541D32.9Very low31.8Very low146 Ų146153 Ų15378%0.78183%0.832SS**  trans-75.782.8164.3-80.7-29.2000109.7Q539 F543Q539-D541 PolarHBondContact O-N 3.23Å; D541-F543 PolarHBondContact O-N 2.63Å
542S32.3Very low31.9Very low90 Ų90157.4 Ų157.463%0.62984%0.839SS**  trans-79.1105.1162.556.50000109.5D540 D544D540-S542 VanDerWaalsContact C-N 3.32Å; D540-S542 PolarHBondContact O-N 3.08Å; S542-D544 VanDerWaalsContact C-N 3.32Å; S542-D544 PolarHBondContact O-N 3.48Å
543F38Very low32.2Very low195 Ų195157.9 Ų157.986%0.85584%0.844SS**  trans-70.590.7163.3-81-89.4000108.7D541 S545D541-F543 PolarHBondContact O-N 2.63Å; F543-S545 PolarHBondContact O-N 3.27Å
544D40Very low32.9Very low148 Ų148159.5 Ų159.579%0.79184%0.838SS**  trans-67.9124.5165.6-87.6-28.9000109.7S542S542-D544 VanDerWaalsContact C-N 3.32Å; S542-D544 PolarHBondContact O-N 3.48Å
545S31.8Very low33.4Very low98 Ų98158.6 Ų158.669%0.68584%0.841SS**  trans-84.511616750.40000109.1F543F543-S545 PolarHBondContact O-N 3.27Å
546D43.7Very low33.8Very low241 Ų241163.4 Ų163.4100%1.28985%0.851SS**  trans-99.40149.1-79.6-27.8000109.7

Retrieved 546 of 546 residues in 357.7 ms (Link to these results)

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