A0A5K4FCA8_SCHMA Loading...

protein O-GlcNAcase

AlphaFold DB , UniProt , Accession A0A5K4FCA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 827 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
1M33.2Very low37.5Very low228 Ų228134.2 Ų134.2100%1.12374%0.736SS**  039.10-61.1174.5171.100111.2
2A35.2Very low40.5Very low91 Ų91131.9 Ų131.975%0.75271%0.713SS**  trans-164.532.5177.100000110
3L35Very low44.3Very low153 Ų153133 Ų13380%0.80171%0.711SS**SBendtrans-140.28.8-169.3-99.9165.9000112.3
4E32.2Very low48Very low152 Ų152125.2 Ų125.271%0.7167%0.667SS**SBendtrans-117.2-24.1-174.8-70.6162.9132.600111.6S6E4-S6 VanDerWaalsContact C-N 3.32Å; E4-S6 PolarHBondContact O-N 3.47Å
5D34.3Very low51.3Low127 Ų127117.7 Ų117.768%0.67963%0.627SS**G310 helixtrans-78.2-9.2179.9-60-63.2000114.8Q7 T8D5-Q7 PolarHBondContact O-N 2.96Å; D5-Q7 VanDerWaalsContact O-N 3.09Å; D5-T8 PolarHBondContact O-N 3.4Å; D5-T8 PolarHBondContact O-OG1 3.09Å
6S35.6Very low54.2Low90 Ų90110.6 Ų110.663%0.62959%0.59SS**G310 helixtrans-73.64.1-175.756.70000114.9E4E4-S6 VanDerWaalsContact C-N 3.32Å; E4-S6 PolarHBondContact O-N 3.47Å
7Q32Very low56.8Low159 Ų159104.1 Ų104.174%0.74356%0.555SS**G310 helixtrans-88.60.7175.3-68.2-172.7-2600113.8D5 F9 V10D5-Q7 PolarHBondContact O-N 2.96Å; D5-Q7 VanDerWaalsContact O-N 3.09Å; Q7-F9 VanDerWaalsContact C-N 3.31Å; Q7-F9 PolarHBondContact O-N 3.14Å; Q7-V10 VanDerWaalsContact O-CG2 3.24Å; Q7-V10 WeakPolarHBondContact O-CG2 3.43Å
8T35.2Very low59.1Low118 Ų11898.3 Ų98.372%0.72452%0.524SS*.THydrogen-bonded Turntrans-73.8-9.8-171.441.60000115.9D5D5-T8 PolarHBondContact O-N 3.4Å; D5-T8 PolarHBondContact O-OG1 3.09Å
9F49.2Very low61.2Low74 Ų7493.2 Ų93.233%0.32550%0.497SS..THydrogen-bonded Turntrans-81.9-8.8177.9-68.1-66.2000115.1Q7 N11 P197 P228Q7-F9 VanDerWaalsContact C-N 3.31Å; Q7-F9 PolarHBondContact O-N 3.14Å; F9-N11 PolarHBondContact O-N 3.14Å; F9-P197 WeakPolarHBondContact CE1-O 3.33Å; F9-P228 HydrophobicContact CD1-CG 3.54Å; F9-P228 HydrophobicContact CE1-CG 3.55Å; F9-P228 HydrophobicContact CG-CG 4.16Å; F9-P228 HydrophobicContact CZ-CG 4.17Å
10V42.6Very low63Low120 Ų12088.5 Ų88.573%0.72747%0.472SS*.THydrogen-bonded Turntrans-70.1-6.7-161.8174.10000115.4Q7Q7-V10 VanDerWaalsContact O-CG2 3.24Å; Q7-V10 WeakPolarHBondContact O-CG2 3.43Å
11N48.2Very low64.6Low164 Ų16484.4 Ų84.488%0.87745%0.45SS*.THydrogen-bonded Turntrans-113.319.1-173.9-95.3-14.7000115.7F9F9-N11 PolarHBondContact O-N 3.14Å
12K73.6Confident67.3Low107 Ų10773.5 Ų73.547%0.46540%0.397SS..SBendtrans-99142.1170.8-71.9-169.7173.4-175.40111.5D164K12-D164 PolarHBondContact NZ-O 3.3Å; K12-D164 IonicContact NZ-OD1 2.62Å
13E89.5Confident69.8Low146 Ų14673 Ų7368%0.68238%0.376SS*.PPolyproline II helixtrans-64.5134.2179.3-167.2-178.516400110.9L15 N45E13-L15 PolarHBondContact O-N 3.46Å; E13-N45 PolarHBondContact OE1-ND2 3.19Å
14F95.8Very high72Confident24 Ų2469.8 Ų69.811%0.10536%0.356CS..PPolyproline II helixtrans-73.3117.8-178.9-176.8-83.6000110.4T16 N45 R258 L263 V266 W287F14-T16 WeakPolarHBondContact CD1-OG1 3.36Å; F14-T16 PolarHBondContact O-N 3.12Å; F14-N45 PolarHBondContact O-ND2 3.48Å; F14-N45 PolarHBondContact O-OD1 2.95Å; F14-R258 HydrophobicContact CD1-CG 4.44Å; F14-R258 HydrophobicContact CD2-CG 3.86Å; F14-R258 HydrophobicContact CE1-CG 4.23Å; F14-R258 HydrophobicContact CE2-CB 3.84Å; F14-R258 HydrophobicContact CE2-CG 3.58Å; F14-R258 HydrophobicContact CG-CG 4.27Å; F14-R258 VanDerWaalsContact CG-NE 3.33Å; F14-R258 HydrophobicContact CZ-CB 3.85Å; F14-R258 HydrophobicContact CZ-CG 3.79Å; F14-L263 WeakPolarHBondContact CD2-O 3.1Å; F14-L263 HydrophobicContact CE2-CB 3.75Å; F14-L263 VanDerWaalsContact CE2-O 3.27Å; F14-L263 WeakPolarHBondContact CE2-O 3.41Å; F14-L263 HydrophobicContact CZ-CB 4.18Å; F14-V266 HydrophobicContact CZ-CG2 4.18Å; F14-W287 HydrophobicContact CZ-CZ3 4.39Å
15L97.7Very high74.5Confident13 Ų1368.9 Ų68.97%0.06835%0.346CS..EExtended strand (participates in β ladder)trans-73.5108.8-177.1-54.3178.1000109.8E13 A46 L86 I88 V165 L167 V230 G264 G265 V266E13-L15 PolarHBondContact O-N 3.46Å; L15-A46 HydrophobicContact CB-CB 3.77Å; L15-A46 HydrophobicContact CD2-CB 3.98Å; L15-A46 HydrophobicContact CG-CB 4.39Å; L15-L86 HydrophobicContact CD2-CD2 4.06Å; L15-I88 HydrophobicContact CD1-CD1 4.19Å; L15-V165 HydrophobicContact CD1-CG1 3.9Å; L15-V165 HydrophobicContact CD2-CG2 4.37Å; L15-L167 HydrophobicContact CD1-CD2 4.5Å; L15-V230 HydrophobicContact CD1-CG2 4.34Å; L15-G264 PolarHBondContact N-O 2.71Å; L15-G265 CarbonylContact O-C 3.52Å; L15-G265 WeakPolarHBondContact O-CA 3.27Å; L15-V266 PolarHBondContact O-N 3.07Å
16T98.2Very high77Confident4 Ų464.5 Ų64.53%0.02532%0.324CS..EExtended strand (participates in β ladder)trans-114.8124.7170.3-49.60000109.1F14 M44 N45 A46 V266 L284 S288F14-T16 WeakPolarHBondContact CD1-OG1 3.36Å; F14-T16 PolarHBondContact O-N 3.12Å; T16-M44 HydrophobicContact CG2-CG 3.87Å; T16-M44 HydrophobicContact CG2-SD 4.16Å; T16-M44 CarbonylContact O-C 3.52Å; T16-M44 WeakPolarHBondContact O-CA 3.42Å; T16-M44 WeakPolarHBondContact O-CB 3.41Å; T16-N45 PolarHBondContact N-OD1 2.68Å; T16-N45 PolarHBondContact O-N 3.26Å; T16-N45 PolarHBondContact O-OD1 2.96Å; T16-N45 VanDerWaalsContact O-OD1 3.05Å; T16-A46 PolarHBondContact O-N 3.29Å; T16-V266 WeakPolarHBondContact CA-O 3.42Å; T16-L284 HydrophobicContact CG2-CD2 4.43Å; T16-L284 HydrophobicContact CG2-CG 4.14Å; T16-S288 PolarHBondContact OG1-OG 3.11Å
17G98.4Very high79.5Confident0 Ų060.6 Ų60.60%030%0.296CS..EExtended strand (participates in β ladder)trans167-13417300000114A46 V266 L267 T268G17-A46 VanDerWaalsContact CA-O 3.31Å; G17-A46 WeakPolarHBondContact CA-O 3.47Å; G17-V266 PolarHBondContact N-O 3.35Å; G17-L267 WeakPolarHBondContact O-CA 3.44Å; G17-T268 PolarHBondContact O-N 2.79Å
18V98.6Very high82.1Confident0 Ų055.3 Ų55.30%027%0.274CS..EExtended strand (participates in β ladder)trans-134.5136-159.9-176.60000110.4W27 L35 M39 A46 Y47 L48 T268 P270 F281V18-W27 HydrophobicContact CG1-CH2 3.91Å; V18-W27 HydrophobicContact CG1-CZ3 3.97Å; V18-L35 HydrophobicContact CB-CD2 4.47Å; V18-L35 HydrophobicContact CG1-CD2 4.3Å; V18-L35 HydrophobicContact CG2-CD1 4.18Å; V18-M39 HydrophobicContact CG2-SD 4.33Å; V18-A46 PolarHBondContact N-O 3.05Å; V18-A46 VanDerWaalsContact N-O 3.07Å; V18-Y47 WeakPolarHBondContact O-CA 3.24Å; V18-L48 PolarHBondContact O-N 2.69Å; V18-T268 WeakPolarHBondContact CA-O 3.39Å; V18-T268 HydrophobicContact CG2-CG2 4.18Å; V18-P270 HydrophobicContact CG1-CG 4.33Å; V18-F281 HydrophobicContact CB-CE1 4.26Å; V18-F281 HydrophobicContact CG1-CE1 3.82Å; V18-F281 HydrophobicContact CG1-CZ 4.2Å; V18-F281 HydrophobicContact CG2-CD1 3.6Å; V18-F281 HydrophobicContact CG2-CE1 3.36Å; V18-F281 HydrophobicContact CG2-CZ 4.12Å
19V98.4Very high84.7Confident0 Ų052.7 Ų52.70%025%0.252CS..EExtended strand (participates in β ladder)trans-104.6125.716356.10000108.4G21 L48 A50 W232 L267 T268 N269V19-G21 VanDerWaalsContact C-N 3.31Å; V19-G21 PolarHBondContact O-N 3.26Å; V19-L48 WeakPolarHBondContact CA-O 3.42Å; V19-L48 HydrophobicContact CB-CB 3.9Å; V19-L48 HydrophobicContact CB-CD2 4.06Å; V19-L48 HydrophobicContact CB-CG 4.25Å; V19-L48 HydrophobicContact CG2-CB 3.86Å; V19-L48 HydrophobicContact CG2-CD2 3.64Å; V19-L48 HydrophobicContact CG2-CG 3.73Å; V19-A50 HydrophobicContact CG2-CB 3.99Å; V19-W232 HydrophobicContact CG1-CD2 3.95Å; V19-W232 HydrophobicContact CG1-CE3 4.41Å; V19-W232 HydrophobicContact CG1-CG 4.24Å; V19-W232 HydrophobicContact CG1-CZ2 4.29Å; V19-W232 HydrophobicContact CG2-CD2 4.37Å; V19-W232 HydrophobicContact CG2-CE3 4.11Å; V19-W232 HydrophobicContact CG2-CH2 3.67Å; V19-W232 HydrophobicContact CG2-CZ2 3.94Å; V19-W232 HydrophobicContact CG2-CZ3 3.77Å; V19-L267 HydrophobicContact CB-CB 4.33Å; V19-L267 HydrophobicContact CG1-CB 4.34Å; V19-T268 PolarHBondContact N-O 3.47Å; V19-N269 HydrophobicContact CG1-CB 3.64Å; V19-N269 PolarHBondContact O-OD1 3.07Å
20E97.8Very high86.6Confident0 Ų052.7 Ų52.70%026%0.259CS..EExtended strand (participates in β ladder)trans-83.286163.5-168-174.6139.200105.9F22 P26 W27 R32 Y47 L48 A50 P51E20-F22 HydrophobicContact CG-CE1 3.75Å; E20-F22 HydrophobicContact CG-CE2 4.32Å; E20-F22 HydrophobicContact CG-CZ 3.55Å; E20-P26 WeakPolarHBondContact OE1-CA 3.35Å; E20-P26 VanDerWaalsContact OE1-CB 3.3Å; E20-P26 WeakPolarHBondContact OE1-CB 3.35Å; E20-W27 HydrophobicContact CB-CE3 4.04Å; E20-W27 HydrophobicContact CB-CZ3 4Å; E20-W27 HydrophobicContact CG-CD2 4.06Å; E20-W27 HydrophobicContact CG-CE3 3.69Å; E20-W27 HydrophobicContact CG-CZ3 4.04Å; E20-W27 PolarHBondContact OE1-N 3.34Å; E20-R32 IonicContact OE1-CZ 3.4Å; E20-R32 IonicContact OE1-NE 3.48Å; E20-R32 IonicContact OE1-NH2 3.49Å; E20-R32 PolarHBondContact OE1-NH2 3.45Å; E20-R32 IonicContact OE2-CZ 2.79Å; E20-R32 IonicContact OE2-NE 3.55Å; E20-R32 PolarHBondContact OE2-NE 3.02Å; E20-R32 IonicContact OE2-NH2 2.79Å; E20-R32 PolarHBondContact OE2-NH2 3.26Å; E20-Y47 HydrophobicContact CB-CE2 4.05Å; E20-Y47 WeakPolarHBondContact CB-OH 3.35Å; E20-Y47 PolarHBondContact OE2-OH 3.21Å; E20-L48 PolarHBondContact N-O 2.62Å; E20-A50 CarbonylContact O-C 3.48Å; E20-A50 VanDerWaalsContact O-CA 3.31Å; E20-A50 WeakPolarHBondContact O-CA 3.45Å; E20-A50 PolarHBondContact O-N 3.14Å; E20-P51 HydrophobicContact CG-CB 4.33Å; E20-P51 WeakPolarHBondContact O-CA 3.04Å; E20-P51 WeakPolarHBondContact O-CD 3.49Å
21G95.5Very high88.9Confident2 Ų249.4 Ų49.42%0.02124%0.236CC..  trans-131.56.8-165.400000115.7V19 K52 N269V19-G21 VanDerWaalsContact C-N 3.31Å; V19-G21 PolarHBondContact O-N 3.26Å; G21-K52 WeakPolarHBondContact O-CG 3.39Å; G21-K52 PolarHBondContact O-NZ 3.31Å; G21-N269 WeakPolarHBondContact CA-OD1 3.24Å; G21-N269 PolarHBondContact N-OD1 3.4Å; G21-N269 VanDerWaalsContact N-OD1 3.16Å
22F90Very high91.2Very high0 Ų042.2 Ų42.20%020%0.196CC..  trans-78.1167.9176.949.2-102.9000112.8E20 W27 K52 V237 D239 N269E20-F22 HydrophobicContact CG-CE1 3.75Å; E20-F22 HydrophobicContact CG-CE2 4.32Å; E20-F22 HydrophobicContact CG-CZ 3.55Å; F22-W27 HydrophobicContact CE1-CD2 4.3Å; F22-W27 AromaticContact CE1-CE2 3.67Å; F22-W27 AromaticContact CE1-CH2 3.96Å; F22-W27 HydrophobicContact CE1-CH2 3.96Å; F22-W27 AromaticContact CE1-CZ2 3.5Å; F22-W27 HydrophobicContact CE1-CZ2 3.5Å; F22-W27 AromaticContact CZ-CD1 3.92Å; F22-W27 AromaticContact CZ-CD2 3.97Å; F22-W27 HydrophobicContact CZ-CD2 3.97Å; F22-W27 AromaticContact CZ-CE2 3.56Å; F22-W27 HydrophobicContact CZ-CG 4.21Å; F22-W27 AromaticContact CZ-CZ2 3.92Å; F22-W27 HydrophobicContact CZ-CZ2 3.92Å; F22-W27 AromaticContact CZ-NE1 3.52Å; F22-K52 WeakPolarHBondContact O-CB 3.45Å; F22-K52 PolarHBondContact O-N 3.31Å; F22-V237 HydrophobicContact CB-CG2 4.11Å; F22-D239 VanDerWaalsContact CA-OD2 3.27Å; F22-D239 WeakPolarHBondContact CA-OD2 3.22Å; F22-D239 HydrophobicContact CB-CB 4.2Å; F22-D239 WeakPolarHBondContact CB-OD2 3.38Å; F22-N269 PolarHBondContact N-OD1 3.29Å; F22-N269 VanDerWaalsContact N-OD1 3.16Å
23Y87Confident92.2Very high80 Ų8040 Ų4031%0.31419%0.187SC..SBendtrans-85.5167.4166.7-70.2-91.8000112.1K52 R58 D129 D239Y23-K52 HydrophobicContact CD1-CB 3.7Å; Y23-K52 HydrophobicContact CD1-CG 4.26Å; Y23-K52 HydrophobicContact CD2-CB 4.4Å; Y23-K52 HydrophobicContact CD2-CG 4.12Å; Y23-K52 HydrophobicContact CE1-CB 3.82Å; Y23-K52 HydrophobicContact CE1-CG 4.18Å; Y23-K52 HydrophobicContact CE2-CB 4.47Å; Y23-K52 HydrophobicContact CE2-CG 3.99Å; Y23-K52 HydrophobicContact CG-CB 4.03Å; Y23-K52 HydrophobicContact CG-CG 4.26Å; Y23-R58 PolarHBondContact OH-NH1 2.7Å; Y23-D129 PolarHBondContact OH-OD2 2.82Å; Y23-D239 PolarHBondContact N-OD2 2.94Å
24F83.2Confident92.4Very high85 Ų8535.9 Ų35.937%0.37317%0.167SC..SBendtrans72.9-170.2-170-43.1-56.7000114.2P26 D53 D239 Q242F24-P26 WeakPolarHBondContact O-CD 3.42Å; F24-D53 WeakPolarHBondContact CA-OD2 3.27Å; F24-D53 PolarHBondContact N-OD2 2.97Å; F24-D239 HydrophobicContact CD2-CB 4.21Å; F24-D239 HydrophobicContact CE2-CB 4.19Å; F24-D239 WeakPolarHBondContact CE2-O 3.23Å; F24-Q242 HydrophobicContact CE2-CG 3.92Å; F24-Q242 HydrophobicContact CZ-CG 4.19Å
25R83.4Confident92.4Very high133 Ų13334.7 Ų34.750%0.50216%0.162SC..SBendtrans-55.4116.6-165.5-177.2172.7176.1-83.60.9112.3T28 H825R25-T28 VanDerWaalsContact NH2-CG2 3.25Å; R25-H825 PolarHBondContact NE-NE2 3.21Å; R25-H825 PolarHBondContact NH2-CD2 3.09Å; R25-H825 PolarHBondContact NH2-NE2 3.2Å
26P87Confident92.5Very high36 Ų3634.2 Ų34.223%0.23416%0.16CC..PPolyproline II helixtrans-58.4156.4175.1-24.334.7000112.9E20 F24 P51E20-P26 WeakPolarHBondContact OE1-CA 3.35Å; E20-P26 VanDerWaalsContact OE1-CB 3.3Å; E20-P26 WeakPolarHBondContact OE1-CB 3.35Å; F24-P26 WeakPolarHBondContact O-CD 3.42Å; P26-P51 HydrophobicContact CB-CB 3.93Å; P26-P51 HydrophobicContact CB-CG 4.42Å; P26-P51 HydrophobicContact CG-CB 3.95Å
27W88.1Confident92.4Very high8 Ų840 Ų403%0.0318%0.181CC..PPolyproline II helixtrans-68.4144.8177.5-66.8-29.5000111.9V18 E20 F22 Q31 R32 L35 P270 C272 F274 N277 F281V18-W27 HydrophobicContact CG1-CH2 3.91Å; V18-W27 HydrophobicContact CG1-CZ3 3.97Å; E20-W27 HydrophobicContact CB-CE3 4.04Å; E20-W27 HydrophobicContact CB-CZ3 4Å; E20-W27 HydrophobicContact CG-CD2 4.06Å; E20-W27 HydrophobicContact CG-CE3 3.69Å; E20-W27 HydrophobicContact CG-CZ3 4.04Å; E20-W27 PolarHBondContact OE1-N 3.34Å; F22-W27 HydrophobicContact CE1-CD2 4.3Å; F22-W27 AromaticContact CE1-CE2 3.67Å; F22-W27 AromaticContact CE1-CH2 3.96Å; F22-W27 HydrophobicContact CE1-CH2 3.96Å; F22-W27 AromaticContact CE1-CZ2 3.5Å; F22-W27 HydrophobicContact CE1-CZ2 3.5Å; F22-W27 AromaticContact CZ-CD1 3.92Å; F22-W27 AromaticContact CZ-CD2 3.97Å; F22-W27 HydrophobicContact CZ-CD2 3.97Å; F22-W27 AromaticContact CZ-CE2 3.56Å; F22-W27 HydrophobicContact CZ-CG 4.21Å; F22-W27 AromaticContact CZ-CZ2 3.92Å; F22-W27 HydrophobicContact CZ-CZ2 3.92Å; F22-W27 AromaticContact CZ-NE1 3.52Å; W27-Q31 HydrophobicContact CB-CB 4.16Å; W27-R32 HydrophobicContact CB-CG 4.01Å; W27-R32 PolarHBondContact O-NE 3.37Å; W27-R32 VanDerWaalsContact O-NE 3.13Å; W27-R32 PolarHBondContact O-NH1 3.25Å; W27-R32 PolarHBondContact O-NH2 3Å; W27-L35 HydrophobicContact CE3-CD2 4.05Å; W27-L35 HydrophobicContact CZ3-CD2 3.63Å; W27-P270 HydrophobicContact CH2-CG 3.64Å; W27-P270 HydrophobicContact CZ2-CG 3.87Å; W27-C272 PolarHBondContact NE1-O 3.42Å; W27-F274 HydrophobicContact CD2-CD2 4.04Å; W27-F274 AromaticContact CE2-CD2 4Å; W27-F274 HydrophobicContact CE3-CD2 4.44Å; W27-F274 HydrophobicContact CG-CD2 4.41Å; W27-F274 HydrophobicContact CZ2-CD2 4.36Å; W27-N277 WeakPolarHBondContact CZ2-ND2 3.42Å; W27-F281 HydrophobicContact CH2-CZ 4.15Å
28T87.8Confident92.2Very high47 Ų4740.9 Ų40.929%0.28818%0.184SC..PPolyproline II helixtrans-73.9159178.362.70000111.9R25 Q31 R32R25-T28 VanDerWaalsContact NH2-CG2 3.25Å; T28-Q31 WeakPolarHBondContact O-CB 3.42Å; T28-Q31 PolarHBondContact O-N 3.18Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.21Å; T28-Q31 PolarHBondContact OG1-OE1 3.21Å; T28-R32 PolarHBondContact O-N 3.01Å
29Y89.4Confident92.2Very high63 Ų6341 Ų4125%0.24719%0.185CC..Hα-helixtrans-51.7-45.2176.8179.5-84.1000113.6Q31 R32 K33 F75 L76 E79Y29-Q31 VanDerWaalsContact C-N 3.35Å; Y29-Q31 PolarHBondContact O-N 3.26Å; Y29-R32 PolarHBondContact O-N 3.45Å; Y29-K33 HydrophobicContact CE1-CD 4.38Å; Y29-K33 WeakPolarHBondContact O-CB 3.41Å; Y29-K33 PolarHBondContact O-N 2.83Å; Y29-F75 HydrophobicContact CE2-CB 3.93Å; Y29-L76 HydrophobicContact CD2-CD1 4.19Å; Y29-L76 HydrophobicContact CE2-CB 4.37Å; Y29-L76 HydrophobicContact CE2-CD1 4.37Å; Y29-E79 WeakPolarHBondContact OH-CG 3.39Å; Y29-E79 PolarHBondContact OH-OE1 3.07Å
30P89.5Confident92.1Very high74 Ų7445.3 Ų45.348%0.48121%0.208SC..Hα-helixtrans-61.5-37.7174.8-25.136.3000114K33 Q34P30-K33 PolarHBondContact O-N 3.38Å; P30-Q34 WeakPolarHBondContact O-CB 3.45Å; P30-Q34 PolarHBondContact O-N 3.04Å
31Q90.3Very high92Very high51 Ų5151.9 Ų51.924%0.23824%0.239CC..Hα-helixtrans-66.1-44.7176.3-71.3167.2-57.800110.9W27 T28 Y29 Q34 L35 F274W27-Q31 HydrophobicContact CB-CB 4.16Å; T28-Q31 WeakPolarHBondContact O-CB 3.42Å; T28-Q31 PolarHBondContact O-N 3.18Å; T28-Q31 WeakPolarHBondContact OG1-CG 3.21Å; T28-Q31 PolarHBondContact OG1-OE1 3.21Å; Y29-Q31 VanDerWaalsContact C-N 3.35Å; Y29-Q31 PolarHBondContact O-N 3.26Å; Q31-Q34 CarbonylContact O-C 3.6Å; Q31-Q34 PolarHBondContact O-N 3Å; Q31-Q34 VanDerWaalsContact O-N 3.15Å; Q31-L35 PolarHBondContact O-N 2.9Å; Q31-F274 HydrophobicContact CB-CD1 4Å; Q31-F274 HydrophobicContact CB-CD2 4.13Å; Q31-F274 HydrophobicContact CB-CE1 4.24Å; Q31-F274 HydrophobicContact CB-CE2 4.39Å; Q31-F274 HydrophobicContact CB-CG 3.93Å; Q31-F274 HydrophobicContact CB-CZ 4.44Å; Q31-F274 HydrophobicContact CG-CB 4.28Å; Q31-F274 HydrophobicContact CG-CD1 3.81Å; Q31-F274 HydrophobicContact CG-CE1 4.36Å; Q31-F274 HydrophobicContact CG-CG 3.99Å; Q31-F274 WeakPolarHBondContact O-CE2 3.42Å; Q31-F274 WeakPolarHBondContact O-CZ 3.18Å
32R96Very high92Very high13 Ų1352.5 Ų52.55%0.04924%0.241CC..Hα-helixtrans-64.7-39.5175.8-63172.3175.7156-1.7112.5E20 W27 T28 Y29 Q34 L35 F36 L76E20-R32 IonicContact OE1-CZ 3.4Å; E20-R32 IonicContact OE1-NE 3.48Å; E20-R32 IonicContact OE1-NH2 3.49Å; E20-R32 PolarHBondContact OE1-NH2 3.45Å; E20-R32 IonicContact OE2-CZ 2.79Å; E20-R32 IonicContact OE2-NE 3.55Å; E20-R32 PolarHBondContact OE2-NE 3.02Å; E20-R32 IonicContact OE2-NH2 2.79Å; E20-R32 PolarHBondContact OE2-NH2 3.26Å; W27-R32 HydrophobicContact CB-CG 4.01Å; W27-R32 PolarHBondContact O-NE 3.37Å; W27-R32 VanDerWaalsContact O-NE 3.13Å; W27-R32 PolarHBondContact O-NH1 3.25Å; W27-R32 PolarHBondContact O-NH2 3Å; T28-R32 PolarHBondContact O-N 3.01Å; Y29-R32 PolarHBondContact O-N 3.45Å; R32-Q34 VanDerWaalsContact C-N 3.31Å; R32-Q34 PolarHBondContact O-N 3.47Å; R32-L35 VanDerWaalsContact O-CB 3.26Å; R32-L35 WeakPolarHBondContact O-CB 3.47Å; R32-L35 PolarHBondContact O-N 3.48Å; R32-F36 HydrophobicContact CB-CZ 4.28Å; R32-F36 WeakPolarHBondContact O-CD1 3.21Å; R32-F36 WeakPolarHBondContact O-CD2 3.43Å; R32-F36 VanDerWaalsContact O-CG 3.28Å; R32-F36 WeakPolarHBondContact O-CG 3.5Å; R32-F36 PolarHBondContact O-N 3.21Å; R32-F36 VanDerWaalsContact O-N 3.11Å; R32-L76 HydrophobicContact CB-CD1 3.66Å; R32-L76 HydrophobicContact CG-CD1 4.42Å
33K95.1Very high92.3Very high60 Ų6055 Ų5526%0.26127%0.267SS..Hα-helixtrans-61.4-38.4171.2-179.9169.2-178.7142.50112.2Y29 P30 R37 E79Y29-K33 HydrophobicContact CE1-CD 4.38Å; Y29-K33 WeakPolarHBondContact O-CB 3.41Å; Y29-K33 PolarHBondContact O-N 2.83Å; P30-K33 PolarHBondContact O-N 3.38Å; K33-R37 WeakPolarHBondContact O-CG 3.47Å; K33-R37 PolarHBondContact O-N 3.32Å; K33-E79 WeakPolarHBondContact CD-OE1 3.36Å; K33-E79 VanDerWaalsContact CD-OE2 3.26Å; K33-E79 WeakPolarHBondContact CD-OE2 3.43Å; K33-E79 WeakPolarHBondContact CE-OE1 3.47Å; K33-E79 WeakPolarHBondContact CE-OE2 3.31Å; K33-E79 IonicContact NZ-OE1 2.75Å; K33-E79 PolarHBondContact NZ-OE1 3.14Å; K33-E79 IonicContact NZ-OE2 3.45Å; K33-E79 PolarHBondContact NZ-OE2 2.79Å
34Q93.2Very high92.8Very high60 Ų6051.4 Ų51.428%0.2825%0.253SS..Hα-helixtrans-73.5-29.6175.4-172.557.817.400112.8P30 Q31 R32 R38 F274P30-Q34 WeakPolarHBondContact O-CB 3.45Å; P30-Q34 PolarHBondContact O-N 3.04Å; Q31-Q34 CarbonylContact O-C 3.6Å; Q31-Q34 PolarHBondContact O-N 3Å; Q31-Q34 VanDerWaalsContact O-N 3.15Å; R32-Q34 VanDerWaalsContact C-N 3.31Å; R32-Q34 PolarHBondContact O-N 3.47Å; Q34-R38 WeakPolarHBondContact O-CG 3.38Å; Q34-R38 PolarHBondContact O-N 2.97Å; Q34-F274 HydrophobicContact CB-CE1 4.2Å; Q34-F274 HydrophobicContact CB-CZ 4.11Å; Q34-F274 HydrophobicContact CG-CE1 4.17Å; Q34-F274 HydrophobicContact CG-CZ 4.26Å
35L96.7Very high93.5Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-59.9-53.6172.1-177.461.7000110.6V18 W27 Q31 R32 R37 R38 M39 Y47 F274 F281V18-L35 HydrophobicContact CB-CD2 4.47Å; V18-L35 HydrophobicContact CG1-CD2 4.3Å; V18-L35 HydrophobicContact CG2-CD1 4.18Å; W27-L35 HydrophobicContact CE3-CD2 4.05Å; W27-L35 HydrophobicContact CZ3-CD2 3.63Å; Q31-L35 PolarHBondContact O-N 2.9Å; R32-L35 VanDerWaalsContact O-CB 3.26Å; R32-L35 WeakPolarHBondContact O-CB 3.47Å; R32-L35 PolarHBondContact O-N 3.48Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 3.22Å; L35-R38 PolarHBondContact O-N 3.29Å; L35-R38 VanDerWaalsContact O-N 3.08Å; L35-M39 HydrophobicContact CD1-CG 4.25Å; L35-M39 HydrophobicContact CD1-SD 4.18Å; L35-M39 HydrophobicContact CD2-SD 4.31Å; L35-M39 HydrophobicContact CG-CG 4.31Å; L35-M39 HydrophobicContact CG-SD 3.77Å; L35-M39 WeakPolarHBondContact O-CB 3.2Å; L35-M39 VanDerWaalsContact O-CG 3.32Å; L35-M39 WeakPolarHBondContact O-CG 3.32Å; L35-M39 PolarHBondContact O-N 3.44Å; L35-Y47 HydrophobicContact CD2-CD2 3.65Å; L35-Y47 HydrophobicContact CD2-CE2 3.57Å; L35-F274 HydrophobicContact CB-CE2 3.87Å; L35-F274 HydrophobicContact CB-CZ 4.25Å; L35-F274 HydrophobicContact CD1-CE2 4.15Å; L35-F281 HydrophobicContact CD1-CD2 4.17Å; L35-F281 HydrophobicContact CD1-CE1 4.27Å; L35-F281 HydrophobicContact CD1-CE2 3.48Å; L35-F281 VanDerWaalsContact CD1-CE2 3.48Å; L35-F281 HydrophobicContact CD1-CZ 3.54Å
36F98.3Very high94.2Very high2 Ų242.1 Ų42.11%0.00922%0.218CC..Hα-helixtrans-60.5-37.8-177.5-50.4-31.8000112.1R32 M39 N40 Y47 L76 E79 A83 V85R32-F36 HydrophobicContact CB-CZ 4.28Å; R32-F36 WeakPolarHBondContact O-CD1 3.21Å; R32-F36 WeakPolarHBondContact O-CD2 3.43Å; R32-F36 VanDerWaalsContact O-CG 3.28Å; R32-F36 WeakPolarHBondContact O-CG 3.5Å; R32-F36 PolarHBondContact O-N 3.21Å; R32-F36 VanDerWaalsContact O-N 3.11Å; F36-M39 HydrophobicContact CD1-SD 4.44Å; F36-M39 PolarHBondContact O-N 2.93Å; F36-N40 WeakPolarHBondContact O-CB 3.38Å; F36-N40 PolarHBondContact O-N 3.41Å; F36-Y47 HydrophobicContact CD1-CG 4.49Å; F36-Y47 AromaticContact CE1-CD1 3.73Å; F36-Y47 HydrophobicContact CE1-CD1 3.73Å; F36-Y47 HydrophobicContact CE1-CD2 4.01Å; F36-Y47 HydrophobicContact CE1-CE1 4.14Å; F36-Y47 HydrophobicContact CE1-CE2 4.38Å; F36-Y47 AromaticContact CE1-CG 3.65Å; F36-Y47 HydrophobicContact CE1-CG 3.65Å; F36-Y47 HydrophobicContact CZ-CD1 4.13Å; F36-Y47 HydrophobicContact CZ-CE1 4.27Å; F36-Y47 HydrophobicContact CZ-CG 4.49Å; F36-L76 HydrophobicContact CE2-CD1 3.71Å; F36-L76 HydrophobicContact CE2-CG 4.22Å; F36-L76 HydrophobicContact CZ-CD1 3.81Å; F36-L76 HydrophobicContact CZ-CG 4.14Å; F36-E79 HydrophobicContact CD2-CB 4.28Å; F36-E79 HydrophobicContact CE2-CB 4.47Å; F36-A83 HydrophobicContact CB-CB 3.7Å; F36-V85 HydrophobicContact CB-CG2 4.32Å; F36-V85 HydrophobicContact CD1-CG1 4.28Å
37R96.4Very high94.8Very high127 Ų12740.4 Ų40.448%0.47921%0.206SC..Hα-helixtrans-62.3-47.2172.8-70.6167170-178.3-7.2112.7K33 L35 N40 Q41K33-R37 WeakPolarHBondContact O-CG 3.47Å; K33-R37 PolarHBondContact O-N 3.32Å; L35-R37 VanDerWaalsContact C-N 3.27Å; L35-R37 PolarHBondContact O-N 3.22Å; R37-N40 PolarHBondContact O-N 3.08Å; R37-Q41 WeakPolarHBondContact O-CB 3.32Å; R37-Q41 VanDerWaalsContact O-CG 3.24Å; R37-Q41 WeakPolarHBondContact O-CG 3.31Å; R37-Q41 PolarHBondContact O-N 3.16Å
38R94.4Very high95.3Very high18 Ų1840 Ų407%0.06821%0.205CC..Hα-helixtrans-63.7-41.5176.4-76.4176.4169.8162.4-1.9111.3Q34 L35 Q41 M42 F274 E275Q34-R38 WeakPolarHBondContact O-CG 3.38Å; Q34-R38 PolarHBondContact O-N 2.97Å; L35-R38 PolarHBondContact O-N 3.29Å; L35-R38 VanDerWaalsContact O-N 3.08Å; R38-Q41 PolarHBondContact O-N 3.45Å; R38-M42 VanDerWaalsContact O-CB 3.32Å; R38-M42 WeakPolarHBondContact O-CB 3.44Å; R38-M42 WeakPolarHBondContact O-CG 3.49Å; R38-M42 PolarHBondContact O-N 3.12Å; R38-F274 VanDerWaalsContact NH1-CE1 3.34Å; R38-E275 IonicContact CZ-OE1 3.32Å; R38-E275 IonicContact CZ-OE2 3.44Å; R38-E275 VanDerWaalsContact NH1-CD 3.29Å; R38-E275 IonicContact NH1-OE1 2.79Å; R38-E275 PolarHBondContact NH1-OE1 3.34Å; R38-E275 VanDerWaalsContact NH1-OE1 3.16Å; R38-E275 IonicContact NH1-OE2 2.71Å; R38-E275 PolarHBondContact NH1-OE2 2.82Å; R38-E275 IonicContact NH2-OE1 2.8Å; R38-E275 IonicContact NH2-OE2 2.69Å; R38-E275 PolarHBondContact NH2-OE2 3.04Å
39M98Very high95.8Very high1 Ų138.3 Ų38.31%0.00519%0.193CC..Hα-helixtrans-59.1-51.3175.6-72.8173.965.700111.4V18 L35 F36 Q41 M42 G43 M44 A46 V85V18-M39 HydrophobicContact CG2-SD 4.33Å; L35-M39 HydrophobicContact CD1-CG 4.25Å; L35-M39 HydrophobicContact CD1-SD 4.18Å; L35-M39 HydrophobicContact CD2-SD 4.31Å; L35-M39 HydrophobicContact CG-CG 4.31Å; L35-M39 HydrophobicContact CG-SD 3.77Å; L35-M39 WeakPolarHBondContact O-CB 3.2Å; L35-M39 VanDerWaalsContact O-CG 3.32Å; L35-M39 WeakPolarHBondContact O-CG 3.32Å; L35-M39 PolarHBondContact O-N 3.44Å; F36-M39 HydrophobicContact CD1-SD 4.44Å; F36-M39 PolarHBondContact O-N 2.93Å; M39-Q41 PolarHBondContact O-N 3.45Å; M39-M42 CarbonylContact O-C 3.56Å; M39-M42 PolarHBondContact O-N 3.29Å; M39-M42 VanDerWaalsContact O-N 3.09Å; M39-G43 PolarHBondContact O-N 3Å; M39-M44 CarbonylContact C-O 3.56Å; M39-M44 HydrophobicContact CB-CB 3.95Å; M39-M44 HydrophobicContact CE-CB 4.28Å; M39-M44 HydrophobicContact CG-CB 4.17Å; M39-M44 HydrophobicContact CG-CE 4.05Å; M39-M44 PolarHBondContact O-N 3.15Å; M39-A46 WeakPolarHBondContact CE-O 3.45Å; M39-V85 HydrophobicContact CB-CG2 3.93Å; M39-V85 HydrophobicContact CE-CB 4.41Å; M39-V85 HydrophobicContact CE-CG1 3.46Å; M39-V85 VanDerWaalsContact CE-CG1 3.46Å; M39-V85 HydrophobicContact CE-CG2 4.01Å; M39-V85 HydrophobicContact SD-CG1 4.17Å; M39-V85 HydrophobicContact SD-CG2 4.41Å
40N97Very high96.1Very high92 Ų9235.3 Ų35.349%0.49218%0.181SC..Hα-helixtrans-55-51175.6-178.4-91.4000112.1F36 R37 M42 G43 A83F36-N40 WeakPolarHBondContact O-CB 3.38Å; F36-N40 PolarHBondContact O-N 3.41Å; R37-N40 PolarHBondContact O-N 3.08Å; N40-M42 PolarHBondContact O-N 3.28Å; N40-G43 PolarHBondContact O-N 3.36Å; N40-A83 WeakPolarHBondContact CB-O 3.4Å; N40-A83 PolarHBondContact ND2-O 3.06Å
41Q95.8Very high96.2Very high138 Ų13831.8 Ų31.865%0.64516%0.159SC*.Hα-helixtrans-59.9-28.5178-72.4170.4-13.500113.3R37 R38 M39R37-Q41 WeakPolarHBondContact O-CB 3.32Å; R37-Q41 VanDerWaalsContact O-CG 3.24Å; R37-Q41 WeakPolarHBondContact O-CG 3.31Å; R37-Q41 PolarHBondContact O-N 3.16Å; R38-Q41 PolarHBondContact O-N 3.45Å; M39-Q41 PolarHBondContact O-N 3.45Å
42M96.2Very high96.1Very high14 Ų1429.7 Ų29.77%0.06915%0.149CC..Hα-helixtrans-91.9-8.2177.9-68.1174.6-177.900113.3R38 M39 N40 M44 Y278 F281 H282 A285 R289R38-M42 VanDerWaalsContact O-CB 3.32Å; R38-M42 WeakPolarHBondContact O-CB 3.44Å; R38-M42 WeakPolarHBondContact O-CG 3.49Å; R38-M42 PolarHBondContact O-N 3.12Å; M39-M42 CarbonylContact O-C 3.56Å; M39-M42 PolarHBondContact O-N 3.29Å; M39-M42 VanDerWaalsContact O-N 3.09Å; N40-M42 PolarHBondContact O-N 3.28Å; M42-M44 HydrophobicContact CB-CE 4.28Å; M42-M44 HydrophobicContact SD-CE 3.99Å; M42-Y278 HydrophobicContact CE-CD2 3.98Å; M42-Y278 HydrophobicContact CE-CE1 4.3Å; M42-Y278 HydrophobicContact CE-CE2 3.44Å; M42-Y278 VanDerWaalsContact CE-CE2 3.44Å; M42-F281 HydrophobicContact CE-CB 4.45Å; M42-F281 HydrophobicContact SD-CB 3.79Å; M42-H282 HydrophobicContact CE-CB 3.78Å; M42-H282 HydrophobicContact SD-CB 4.14Å; M42-A285 HydrophobicContact CB-CB 3.77Å; M42-A285 WeakPolarHBondContact O-CB 3.2Å; M42-R289 PolarHBondContact O-NH1 3.27Å
43G95.9Very high95.6Very high53 Ų5332 Ų3255%0.54616%0.162SC..THydrogen-bonded Turntrans71.838.9-172.900000113.3M39 N40M39-G43 PolarHBondContact O-N 3Å; N40-G43 PolarHBondContact O-N 3.36Å
44M98Very high95.1Very high4 Ų430.2 Ų30.22%0.0216%0.156CC..  trans-106.1139.9168.9-66.2-164.9-71.800109.8T16 M39 M42 F281 L284 A285T16-M44 HydrophobicContact CG2-CG 3.87Å; T16-M44 HydrophobicContact CG2-SD 4.16Å; T16-M44 CarbonylContact O-C 3.52Å; T16-M44 WeakPolarHBondContact O-CA 3.42Å; T16-M44 WeakPolarHBondContact O-CB 3.41Å; M39-M44 CarbonylContact C-O 3.56Å; M39-M44 HydrophobicContact CB-CB 3.95Å; M39-M44 HydrophobicContact CE-CB 4.28Å; M39-M44 HydrophobicContact CG-CB 4.17Å; M39-M44 HydrophobicContact CG-CE 4.05Å; M39-M44 PolarHBondContact O-N 3.15Å; M42-M44 HydrophobicContact CB-CE 4.28Å; M42-M44 HydrophobicContact SD-CE 3.99Å; M44-F281 HydrophobicContact CE-CB 3.69Å; M44-F281 HydrophobicContact CE-CG 4.31Å; M44-L284 HydrophobicContact SD-CD2 4.21Å; M44-L284 HydrophobicContact SD-CG 4.42Å; M44-A285 HydrophobicContact CG-CB 3.84Å; M44-A285 HydrophobicContact SD-CB 4.11Å
45N97.9Very high94.8Very high24 Ų2430.2 Ų30.213%0.12816%0.157CC..  trans-125.6-4.5-16162.32.6000114.5E13 F14 T16 V85 L86E13-N45 PolarHBondContact OE1-ND2 3.19Å; F14-N45 PolarHBondContact O-ND2 3.48Å; F14-N45 PolarHBondContact O-OD1 2.95Å; T16-N45 PolarHBondContact N-OD1 2.68Å; T16-N45 PolarHBondContact O-N 3.26Å; T16-N45 PolarHBondContact O-OD1 2.96Å; T16-N45 VanDerWaalsContact O-OD1 3.05Å; N45-V85 CarbonylContact O-C 3.57Å; N45-V85 WeakPolarHBondContact O-CA 3.48Å; N45-L86 WeakPolarHBondContact O-CB 3.36Å; N45-L86 PolarHBondContact O-N 3.02Å
46A98.3Very high94.5Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-135.2126.2-171.800000113.7L15 T16 G17 V18 M39 L267L15-A46 HydrophobicContact CB-CB 3.77Å; L15-A46 HydrophobicContact CD2-CB 3.98Å; L15-A46 HydrophobicContact CG-CB 4.39Å; T16-A46 PolarHBondContact O-N 3.29Å; G17-A46 VanDerWaalsContact CA-O 3.31Å; G17-A46 WeakPolarHBondContact CA-O 3.47Å; V18-A46 PolarHBondContact N-O 3.05Å; V18-A46 VanDerWaalsContact N-O 3.07Å; M39-A46 WeakPolarHBondContact CE-O 3.45Å; A46-L267 HydrophobicContact CB-CD2 3.76Å
47Y98.6Very high94Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-123125176.8172.7-101.5000111.2V18 E20 L35 F36 Y49 L86 F87 I88V18-Y47 WeakPolarHBondContact O-CA 3.24Å; E20-Y47 HydrophobicContact CB-CE2 4.05Å; E20-Y47 WeakPolarHBondContact CB-OH 3.35Å; E20-Y47 PolarHBondContact OE2-OH 3.21Å; L35-Y47 HydrophobicContact CD2-CD2 3.65Å; L35-Y47 HydrophobicContact CD2-CE2 3.57Å; F36-Y47 HydrophobicContact CD1-CG 4.49Å; F36-Y47 AromaticContact CE1-CD1 3.73Å; F36-Y47 HydrophobicContact CE1-CD1 3.73Å; F36-Y47 HydrophobicContact CE1-CD2 4.01Å; F36-Y47 HydrophobicContact CE1-CE1 4.14Å; F36-Y47 HydrophobicContact CE1-CE2 4.38Å; F36-Y47 AromaticContact CE1-CG 3.65Å; F36-Y47 HydrophobicContact CE1-CG 3.65Å; F36-Y47 HydrophobicContact CZ-CD1 4.13Å; F36-Y47 HydrophobicContact CZ-CE1 4.27Å; F36-Y47 HydrophobicContact CZ-CG 4.49Å; Y47-Y49 HydrophobicContact CE1-CD2 4.15Å; Y47-L86 PolarHBondContact N-O 3.23Å; Y47-F87 AromaticContact CD1-CD2 3.8Å; Y47-F87 HydrophobicContact CD1-CD2 3.8Å; Y47-F87 AromaticContact CD1-CE2 3.81Å; Y47-F87 HydrophobicContact CD1-CE2 3.81Å; Y47-F87 HydrophobicContact CE1-CD2 4.15Å; Y47-F87 AromaticContact CE1-CE2 3.66Å; Y47-F87 HydrophobicContact CE1-CE2 3.66Å; Y47-F87 HydrophobicContact CE1-CZ 4.27Å; Y47-I88 PolarHBondContact O-N 2.72Å
48L98.5Very high93.5Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-106.9113.2179179.263.4000110.4V18 V19 E20 A50 I88 A90 A124 L167 I202 W232 L267V18-L48 PolarHBondContact O-N 2.69Å; V19-L48 WeakPolarHBondContact CA-O 3.42Å; V19-L48 HydrophobicContact CB-CB 3.9Å; V19-L48 HydrophobicContact CB-CD2 4.06Å; V19-L48 HydrophobicContact CB-CG 4.25Å; V19-L48 HydrophobicContact CG2-CB 3.86Å; V19-L48 HydrophobicContact CG2-CD2 3.64Å; V19-L48 HydrophobicContact CG2-CG 3.73Å; E20-L48 PolarHBondContact N-O 2.62Å; L48-A50 HydrophobicContact CG-CB 4.39Å; L48-A50 PolarHBondContact O-N 3.15Å; L48-I88 HydrophobicContact CB-CB 4.47Å; L48-I88 HydrophobicContact CD1-CB 3.74Å; L48-I88 HydrophobicContact CD1-CG2 3.56Å; L48-A90 HydrophobicContact CD1-CB 3.88Å; L48-A124 HydrophobicContact CD1-CB 3.79Å; L48-L167 HydrophobicContact CD1-CD1 4.36Å; L48-L167 HydrophobicContact CD2-CD1 4.23Å; L48-I202 HydrophobicContact CD2-CD1 4.47Å; L48-W232 HydrophobicContact CD2-CE3 4.1Å; L48-W232 HydrophobicContact CD2-CZ3 3.98Å; L48-L267 HydrophobicContact CB-CD1 3.93Å; L48-L267 HydrophobicContact CD2-CD1 3.86Å
49Y98Very high92.9Very high10 Ų1031.4 Ų31.44%0.03917%0.167CC..EExtended strand (participates in β ladder)trans-81.499.2175.8-172.7-83.4000109.4Y47 P51 D54 L76 F87 I88 F89 A90Y47-Y49 HydrophobicContact CE1-CD2 4.15Å; Y49-P51 HydrophobicContact CD1-CG 4.38Å; Y49-P51 HydrophobicContact CE1-CG 3.88Å; Y49-P51 HydrophobicContact CE2-CG 4.32Å; Y49-D54 VanDerWaalsContact CE1-OD2 3.28Å; Y49-D54 WeakPolarHBondContact CE1-OD2 3.33Å; Y49-D54 PolarHBondContact OH-OD2 3.42Å; Y49-L76 HydrophobicContact CD2-CD2 4.13Å; Y49-L76 HydrophobicContact CE2-CD2 4.12Å; Y49-F87 HydrophobicContact CD2-CE2 4.41Å; Y49-F87 AromaticContact CD2-CZ 3.83Å; Y49-F87 HydrophobicContact CD2-CZ 3.83Å; Y49-F87 HydrophobicContact CG-CE1 4.48Å; Y49-F87 AromaticContact CG-CZ 3.9Å; Y49-F87 HydrophobicContact CG-CZ 3.9Å; Y49-I88 PolarHBondContact N-O 3.32Å; Y49-F89 HydrophobicContact CD1-CD2 4.35Å; Y49-F89 HydrophobicContact CD1-CE2 4.35Å; Y49-A90 WeakPolarHBondContact O-CA 3.4Å; Y49-A90 WeakPolarHBondContact O-CB 3.3Å; Y49-A90 PolarHBondContact O-N 2.83Å
50A96.9Very high92.5Very high0 Ų033.2 Ų33.20%018%0.179CC..  trans-138.732.4179.600000115.8V19 E20 L48 K52 A90 L126 W232V19-A50 HydrophobicContact CG2-CB 3.99Å; E20-A50 CarbonylContact O-C 3.48Å; E20-A50 VanDerWaalsContact O-CA 3.31Å; E20-A50 WeakPolarHBondContact O-CA 3.45Å; E20-A50 PolarHBondContact O-N 3.14Å; L48-A50 HydrophobicContact CG-CB 4.39Å; L48-A50 PolarHBondContact O-N 3.15Å; A50-K52 PolarHBondContact O-N 3.12Å; A50-A90 HydrophobicContact CB-CB 3.79Å; A50-L126 HydrophobicContact CB-CD1 3.77Å; A50-W232 HydrophobicContact CB-CH2 3.97Å; A50-W232 HydrophobicContact CB-CZ3 4.33Å
51P91.9Very high92.1Very high0 Ų029.1 Ų29.10%016%0.158CC..  trans-64.6123.6-171.124.2-33000110.6E20 P26 Y49 D53 D54 H57E20-P51 HydrophobicContact CG-CB 4.33Å; E20-P51 WeakPolarHBondContact O-CA 3.04Å; E20-P51 WeakPolarHBondContact O-CD 3.49Å; P26-P51 HydrophobicContact CB-CB 3.93Å; P26-P51 HydrophobicContact CB-CG 4.42Å; P26-P51 HydrophobicContact CG-CB 3.95Å; Y49-P51 HydrophobicContact CD1-CG 4.38Å; Y49-P51 HydrophobicContact CE1-CG 3.88Å; Y49-P51 HydrophobicContact CE2-CG 4.32Å; P51-D53 PolarHBondContact O-N 3.15Å; P51-D54 HydrophobicContact CB-CB 4.49Å; P51-D54 HydrophobicContact CG-CB 3.86Å; P51-D54 PolarHBondContact O-N 3.15Å; P51-D54 VanDerWaalsContact O-N 3.11Å; P51-H57 PolarHBondContact O-CD2 3.37Å; P51-H57 VanDerWaalsContact O-CD2 3.27Å
52K88.1Confident91.8Very high7 Ų725.8 Ų25.83%0.0314%0.139CC..THydrogen-bonded Turntrans-66.1-26.8-165.6-66.3-54.4-148.5-73.30114.1G21 F22 Y23 A50 D128G21-K52 WeakPolarHBondContact O-CG 3.39Å; G21-K52 PolarHBondContact O-NZ 3.31Å; F22-K52 WeakPolarHBondContact O-CB 3.45Å; F22-K52 PolarHBondContact O-N 3.31Å; Y23-K52 HydrophobicContact CD1-CB 3.7Å; Y23-K52 HydrophobicContact CD1-CG 4.26Å; Y23-K52 HydrophobicContact CD2-CB 4.4Å; Y23-K52 HydrophobicContact CD2-CG 4.12Å; Y23-K52 HydrophobicContact CE1-CB 3.82Å; Y23-K52 HydrophobicContact CE1-CG 4.18Å; Y23-K52 HydrophobicContact CE2-CB 4.47Å; Y23-K52 HydrophobicContact CE2-CG 3.99Å; Y23-K52 HydrophobicContact CG-CB 4.03Å; Y23-K52 HydrophobicContact CG-CG 4.26Å; A50-K52 PolarHBondContact O-N 3.12Å; K52-D128 WeakPolarHBondContact CE-OD2 3.4Å; K52-D128 IonicContact NZ-OD2 3.8Å; K52-D128 PolarHBondContact NZ-OD2 2.89Å
53D83.8Confident91.7Very high63 Ų6329 Ų2934%0.33716%0.157SC..THydrogen-bonded Turntrans-98.26-179.4-64.5-18.2000113.5F24 P51 I55F24-D53 WeakPolarHBondContact CA-OD2 3.27Å; F24-D53 PolarHBondContact N-OD2 2.97Å; P51-D53 PolarHBondContact O-N 3.15Å; D53-I55 PolarHBondContact O-N 3.28Å; D53-I55 VanDerWaalsContact O-N 3.14Å
54D86.3Confident91.5Very high22 Ų2230 Ų3012%0.11816%0.156CC..  trans-70.1107.2159.6176-15000108.6Y49 P51 K56 H57 R58Y49-D54 VanDerWaalsContact CE1-OD2 3.28Å; Y49-D54 WeakPolarHBondContact CE1-OD2 3.33Å; Y49-D54 PolarHBondContact OH-OD2 3.42Å; P51-D54 HydrophobicContact CB-CB 4.49Å; P51-D54 HydrophobicContact CG-CB 3.86Å; P51-D54 PolarHBondContact O-N 3.15Å; P51-D54 VanDerWaalsContact O-N 3.11Å; D54-K56 PolarHBondContact O-N 3.36Å; D54-K56 WeakPolarHBondContact OD1-CA 3.4Å; D54-K56 PolarHBondContact OD1-N 3.24Å; D54-H57 HydrophobicContact CB-CB 3.81Å; D54-H57 WeakPolarHBondContact O-CB 3.4Å; D54-H57 PolarHBondContact O-N 3.09Å; D54-H57 PolarHBondContact OD1-N 3.21Å; D54-R58 PolarHBondContact O-N 2.9Å; D54-R58 VanDerWaalsContact O-N 3.15Å
55I86.1Confident91.2Very high59 Ų5930.7 Ų30.730%0.30316%0.158SC..THydrogen-bonded Turntrans-52.4-40.1-179.3-59.6176.5000110.8D53 Q59 S60 T382D53-I55 PolarHBondContact O-N 3.28Å; D53-I55 VanDerWaalsContact O-N 3.14Å; I55-Q59 HydrophobicContact CG2-CB 4.27Å; I55-Q59 PolarHBondContact O-N 2.98Å; I55-S60 CarbonylContact O-C 3.53Å; I55-S60 PolarHBondContact O-N 2.97Å; I55-T382 HydrophobicContact CD1-CG2 4.49Å
56K90.8Very high91Very high34 Ų3432.3 Ų32.315%0.14817%0.169CC..THydrogen-bonded Turntrans-86.4-4.3-177.7-70.8-171.2-179-179.90114.2D54 D63 S64 Y65 E69 K111D54-K56 PolarHBondContact O-N 3.36Å; D54-K56 WeakPolarHBondContact OD1-CA 3.4Å; D54-K56 PolarHBondContact OD1-N 3.24Å; K56-D63 HydrophobicContact CD-CB 4.45Å; K56-D63 HydrophobicContact CG-CB 4.43Å; K56-S64 PolarHBondContact NZ-O 3.09Å; K56-S64 VanDerWaalsContact NZ-O 3.08Å; K56-Y65 HydrophobicContact CB-CD1 4.45Å; K56-Y65 HydrophobicContact CB-CE1 3.79Å; K56-Y65 HydrophobicContact CD-CD1 3.98Å; K56-Y65 HydrophobicContact CD-CE1 4.17Å; K56-E69 IonicContact NZ-OE1 3.9Å; K56-E69 PolarHBondContact NZ-OE1 3.37Å; K56-E69 IonicContact NZ-OE2 3.57Å; K56-E69 PolarHBondContact NZ-OE2 3.25Å; K56-K111 WeakPolarHBondContact O-CE 3.42Å; K56-K111 PolarHBondContact O-NZ 3.41Å
57H87.2Confident90.8Very high0 Ų038.8 Ų38.80%020%0.199CC..THydrogen-bonded Turntrans-86.2-38.6165.5165.771.9000112.1P51 D54 A90 S92P51-H57 PolarHBondContact O-CD2 3.37Å; P51-H57 VanDerWaalsContact O-CD2 3.27Å; D54-H57 HydrophobicContact CB-CB 3.81Å; D54-H57 WeakPolarHBondContact O-CB 3.4Å; D54-H57 PolarHBondContact O-N 3.09Å; D54-H57 PolarHBondContact OD1-N 3.21Å; H57-A90 PolarHBondContact CE1-O 3.12Å; H57-A90 PolarHBondContact ND1-O 3.49Å; H57-S92 PolarHBondContact CE1-OG 3.07Å; H57-S92 PolarHBondContact NE2-OG 3.42Å; H57-S92 PolarHBondContact O-N 3.17Å
58R85.4Confident90.4Very high27 Ų2744.3 Ų44.310%0.10223%0.225CC..THydrogen-bonded Turntrans-123-63-172.6-165.5172.1-158.6176.99.6115.5Y23 D54 D128Y23-R58 PolarHBondContact OH-NH1 2.7Å; D54-R58 PolarHBondContact O-N 2.9Å; D54-R58 VanDerWaalsContact O-N 3.15Å; R58-D128 PolarHBondContact NH2-O 3.08Å
59Q83.1Confident90.1Very high111 Ų11146.6 Ų46.652%0.51924%0.236SC..THydrogen-bonded Turntrans-74.1-49.9-167-59.9-178.414.500112.9I55I55-Q59 HydrophobicContact CG2-CB 4.27Å; I55-Q59 PolarHBondContact O-N 2.98Å
60S87.9Confident89.9Confident39 Ų3949 Ų4927%0.27325%0.247SC..THydrogen-bonded Turntrans-107.348.2172.7-54.40000110.7I55 R62 D63I55-S60 CarbonylContact O-C 3.53Å; I55-S60 PolarHBondContact O-N 2.97Å; S60-R62 PolarHBondContact O-N 3.24Å; S60-D63 VanDerWaalsContact CB-OD2 3.31Å; S60-D63 WeakPolarHBondContact CB-OD2 3.5Å; S60-D63 PolarHBondContact O-N 3.32Å
61C88.4Confident89.8Confident6 Ų653.7 Ų53.74%0.04127%0.269CS..THydrogen-bonded Turntrans-59-17.9-178.872.40000113.8I91C61-I91 HydrophobicContact CB-CD1 4.02Å; C61-I91 HydrophobicContact CB-CG1 3.94Å
62R91.1Very high89.7Confident68 Ų6856.5 Ų56.526%0.25728%0.282SS..THydrogen-bonded Turntrans-74-23.9175.2-63.5-175-174.572.813.4113.9S60 D96 E104 I107S60-R62 PolarHBondContact O-N 3.24Å; R62-D96 IonicContact CZ-OD1 2.71Å; R62-D96 VanDerWaalsContact CZ-OD1 3.23Å; R62-D96 IonicContact CZ-OD2 3.87Å; R62-D96 IonicContact NH1-OD1 3.23Å; R62-D96 PolarHBondContact NH1-OD1 3.21Å; R62-D96 IonicContact NH1-OD2 3.24Å; R62-D96 PolarHBondContact NH1-OD2 3.49Å; R62-D96 VanDerWaalsContact NH2-CG 3.32Å; R62-D96 IonicContact NH2-OD1 3.37Å; R62-D96 PolarHBondContact NH2-OD1 3.26Å; R62-D96 IonicContact NH2-OD2 3.64Å; R62-E104 IonicContact CZ-OE2 2.78Å; R62-E104 IonicContact NE-OE1 3.24Å; R62-E104 IonicContact NE-OE2 2.67Å; R62-E104 PolarHBondContact NE-OE2 2.98Å; R62-E104 IonicContact NH2-OE2 3.43Å; R62-E104 PolarHBondContact NH2-OE2 3.38Å; R62-I107 HydrophobicContact CB-CG2 3.76Å; R62-I107 HydrophobicContact CG-CG2 3.92Å
63D92.4Very high90Very high81 Ų8156.8 Ų56.843%0.43328%0.284SS..SBendtrans-78129.1-172.9-70-9.5000110.4K56 S60 K111K56-D63 HydrophobicContact CD-CB 4.45Å; K56-D63 HydrophobicContact CG-CB 4.43Å; S60-D63 VanDerWaalsContact CB-OD2 3.31Å; S60-D63 WeakPolarHBondContact CB-OD2 3.5Å; S60-D63 PolarHBondContact O-N 3.32Å; D63-K111 PolarHBondContact O-NZ 3.31Å
64S92Very high90.6Very high75 Ų7557.6 Ų57.652%0.52429%0.286SS..PPolyproline II helixtrans-58.7150.6169.4-630000111K56K56-S64 PolarHBondContact NZ-O 3.09Å; K56-S64 VanDerWaalsContact NZ-O 3.08Å
65Y93.2Very high91.1Very high19 Ų1961.9 Ų61.98%0.07530%0.304CS..PPolyproline II helixtrans-66.7144.2164.5-66.2-69000110.5K56 E69 L73 F89 K111 Q114 V115K56-Y65 HydrophobicContact CB-CD1 4.45Å; K56-Y65 HydrophobicContact CB-CE1 3.79Å; K56-Y65 HydrophobicContact CD-CD1 3.98Å; K56-Y65 HydrophobicContact CD-CE1 4.17Å; Y65-E69 WeakPolarHBondContact CA-OE2 3.32Å; Y65-E69 HydrophobicContact CD1-CB 3.92Å; Y65-E69 WeakPolarHBondContact CD1-OE2 3.24Å; Y65-E69 HydrophobicContact CG-CB 4.37Å; Y65-L73 HydrophobicContact CD2-CD2 4.12Å; Y65-L73 HydrophobicContact CE2-CD2 3.79Å; Y65-F89 HydrophobicContact CE2-CE2 4.21Å; Y65-F89 HydrophobicContact CE2-CZ 4.08Å; Y65-F89 WeakPolarHBondContact OH-CE2 3.41Å; Y65-F89 WeakPolarHBondContact OH-CZ 3.35Å; Y65-K111 HydrophobicContact CD2-CD 4.48Å; Y65-K111 HydrophobicContact CE2-CD 4.26Å; Y65-K111 VanDerWaalsContact CZ-NZ 3.29Å; Y65-Q114 PolarHBondContact O-NE2 3.16Å; Y65-V115 HydrophobicContact CD2-CG2 4.26Å; Y65-V115 HydrophobicContact CE2-CG2 3.89Å
66T93.6Very high91.5Very high58 Ų5859.4 Ų59.436%0.35629%0.291SS..PPolyproline II helixtrans-74.3172.6170.1780000110.5E68 E69 E70T66-E68 WeakPolarHBondContact CB-OE2 3.36Å; T66-E68 PolarHBondContact O-N 3.07Å; T66-E68 PolarHBondContact OG1-N 2.84Å; T66-E68 PolarHBondContact OG1-OE2 3.12Å; T66-E69 PolarHBondContact N-OE2 3.05Å; T66-E69 PolarHBondContact O-N 3.3Å; T66-E69 PolarHBondContact OG1-N 3.15Å; T66-E70 WeakPolarHBondContact O-CB 3.48Å; T66-E70 WeakPolarHBondContact O-CG 3.28Å; T66-E70 PolarHBondContact O-N 3.22Å
67Q93.2Very high91.9Very high136 Ų13658 Ų5864%0.63629%0.285SS*.Hα-helixtrans-64.9-30.3179.8-67.1-174.2-2.900112.5Q71Q67-Q71 WeakPolarHBondContact O-CB 3.21Å; Q67-Q71 WeakPolarHBondContact O-CG 3.21Å; Q67-Q71 PolarHBondContact O-N 3.45Å; Q67-Q71 VanDerWaalsContact O-N 3.13Å; Q67-Q71 PolarHBondContact O-NE2 2.72Å
68E91.4Very high92.3Very high116 Ų11660.6 Ų60.654%0.54230%0.301SS..Hα-helixtrans-72.9-45.1176.7-54.872.9-160.100110.8T66 Q71 Q72T66-E68 WeakPolarHBondContact CB-OE2 3.36Å; T66-E68 PolarHBondContact O-N 3.07Å; T66-E68 PolarHBondContact OG1-N 2.84Å; T66-E68 PolarHBondContact OG1-OE2 3.12Å; E68-Q71 PolarHBondContact O-N 2.99Å; E68-Q72 WeakPolarHBondContact O-CG 3.38Å; E68-Q72 PolarHBondContact O-N 3.33Å
69E91.5Very high92.9Very high47 Ų4761.1 Ų61.122%0.2231%0.305CS..Hα-helixtrans-66.6-39.8175.3-65167.817300111.8K56 Y65 T66 Q71 Q72 L73K56-E69 IonicContact NZ-OE1 3.9Å; K56-E69 PolarHBondContact NZ-OE1 3.37Å; K56-E69 IonicContact NZ-OE2 3.57Å; K56-E69 PolarHBondContact NZ-OE2 3.25Å; Y65-E69 WeakPolarHBondContact CA-OE2 3.32Å; Y65-E69 HydrophobicContact CD1-CB 3.92Å; Y65-E69 WeakPolarHBondContact CD1-OE2 3.24Å; Y65-E69 HydrophobicContact CG-CB 4.37Å; T66-E69 PolarHBondContact N-OE2 3.05Å; T66-E69 PolarHBondContact O-N 3.3Å; T66-E69 PolarHBondContact OG1-N 3.15Å; E69-Q71 VanDerWaalsContact C-N 3.35Å; E69-Q71 PolarHBondContact O-N 3.49Å; E69-Q72 PolarHBondContact O-N 2.87Å; E69-L73 WeakPolarHBondContact O-CB 3.25Å; E69-L73 PolarHBondContact O-N 3.17Å
70E93.9Very high93.6Very high60 Ų6055.8 Ų55.828%0.2828%0.28SS..Hα-helixtrans-58.3-45.4172.7-81.4-174.214800111.2T66 Q74 Q114 L118T66-E70 WeakPolarHBondContact O-CB 3.48Å; T66-E70 WeakPolarHBondContact O-CG 3.28Å; T66-E70 PolarHBondContact O-N 3.22Å; E70-Q74 WeakPolarHBondContact O-CB 3.41Å; E70-Q74 PolarHBondContact O-N 3.41Å; E70-Q114 HydrophobicContact CG-CG 4.35Å; E70-Q114 WeakPolarHBondContact OE1-CG 3.41Å; E70-Q114 PolarHBondContact OE1-NE2 3.01Å; E70-L118 HydrophobicContact CB-CD1 4.45Å; E70-L118 HydrophobicContact CB-CD2 3.94Å; E70-L118 HydrophobicContact CG-CD1 4.48Å; E70-L118 HydrophobicContact CG-CD2 4.12Å
71Q94.2Very high94Very high100 Ų10058.4 Ų58.447%0.46729%0.294SS..Hα-helixtrans-63.4-47.2176.2-76166.253.700111.5Q67 E68 E69 L73 Q74 F75Q67-Q71 WeakPolarHBondContact O-CB 3.21Å; Q67-Q71 WeakPolarHBondContact O-CG 3.21Å; Q67-Q71 PolarHBondContact O-N 3.45Å; Q67-Q71 VanDerWaalsContact O-N 3.13Å; Q67-Q71 PolarHBondContact O-NE2 2.72Å; E68-Q71 PolarHBondContact O-N 2.99Å; E69-Q71 VanDerWaalsContact C-N 3.35Å; E69-Q71 PolarHBondContact O-N 3.49Å; Q71-L73 PolarHBondContact O-N 2.96Å; Q71-Q74 PolarHBondContact O-N 2.91Å; Q71-F75 HydrophobicContact CB-CE2 4.17Å; Q71-F75 WeakPolarHBondContact O-CD2 3.27Å; Q71-F75 WeakPolarHBondContact O-CG 3.38Å; Q71-F75 PolarHBondContact O-N 3.19Å
72Q90.7Very high94.4Very high58 Ų5865.3 Ų65.327%0.27133%0.326SS..Hα-helixtrans-60.5-43.5178-72.3-179.8800112.4E68 E69 L76 M380E68-Q72 WeakPolarHBondContact O-CG 3.38Å; E68-Q72 PolarHBondContact O-N 3.33Å; E69-Q72 PolarHBondContact O-N 2.87Å; Q72-L76 WeakPolarHBondContact O-CB 3.45Å; Q72-L76 PolarHBondContact O-N 2.91Å; Q72-M380 VanDerWaalsContact OE1-CG 3.28Å
73L94.2Very high94.6Very high13 Ų1362.8 Ų62.87%0.06832%0.32CS..Hα-helixtrans-70.5-36.8177.6-177.256.1000111.9Y65 E69 Q71 L76 I77 F87 F89 V115 L118Y65-L73 HydrophobicContact CD2-CD2 4.12Å; Y65-L73 HydrophobicContact CE2-CD2 3.79Å; E69-L73 WeakPolarHBondContact O-CB 3.25Å; E69-L73 PolarHBondContact O-N 3.17Å; Q71-L73 PolarHBondContact O-N 2.96Å; L73-L76 HydrophobicContact CD1-CD2 4.44Å; L73-L76 PolarHBondContact O-N 2.78Å; L73-I77 HydrophobicContact CD1-CD1 4.21Å; L73-I77 HydrophobicContact CD1-CG1 4.37Å; L73-I77 HydrophobicContact CG-CD1 3.96Å; L73-I77 WeakPolarHBondContact O-CB 3.39Å; L73-I77 WeakPolarHBondContact O-CD1 3.43Å; L73-I77 VanDerWaalsContact O-CG1 3.24Å; L73-I77 WeakPolarHBondContact O-CG1 3.3Å; L73-I77 PolarHBondContact O-N 3.44Å; L73-F87 HydrophobicContact CD1-CE1 4.16Å; L73-F87 HydrophobicContact CD1-CZ 3.8Å; L73-F89 HydrophobicContact CD2-CE2 4.35Å; L73-V115 HydrophobicContact CD2-CG1 4.4Å; L73-V115 HydrophobicContact CD2-CG2 4.03Å; L73-L118 HydrophobicContact CB-CD1 3.93Å; L73-L118 HydrophobicContact CD2-CD1 3.82Å; L73-L118 HydrophobicContact CG-CD1 3.85Å
74Q96.8Very high94.8Very high80 Ų8061.4 Ų61.437%0.37433%0.325SS..Hα-helixtrans-64.3-43.9173.4175.2158.872.500112.5E70 Q71 L76 I77 T78 L118E70-Q74 WeakPolarHBondContact O-CB 3.41Å; E70-Q74 PolarHBondContact O-N 3.41Å; Q71-Q74 PolarHBondContact O-N 2.91Å; Q74-L76 VanDerWaalsContact C-N 3.32Å; Q74-L76 PolarHBondContact O-N 3.18Å; Q74-I77 PolarHBondContact O-N 3.03Å; Q74-T78 WeakPolarHBondContact O-CB 3.37Å; Q74-T78 PolarHBondContact O-N 2.92Å; Q74-T78 PolarHBondContact O-OG1 3.45Å; Q74-L118 HydrophobicContact CB-CB 4.12Å; Q74-L118 HydrophobicContact CB-CD2 4.26Å; Q74-L118 PolarHBondContact NE2-O 2.92Å; Q74-L118 VanDerWaalsContact NE2-O 3.09Å
75F95.7Very high95.1Very high113 Ų11358 Ų5850%0.49630%0.301SS..Hα-helixtrans-60.1-45.3172.9-66.9-48.7000110.6Y29 Q71 I77 T78 E79Y29-F75 HydrophobicContact CE2-CB 3.93Å; Q71-F75 HydrophobicContact CB-CE2 4.17Å; Q71-F75 WeakPolarHBondContact O-CD2 3.27Å; Q71-F75 WeakPolarHBondContact O-CG 3.38Å; Q71-F75 PolarHBondContact O-N 3.19Å; F75-I77 PolarHBondContact O-N 2.87Å; F75-T78 WeakPolarHBondContact O-CB 3.48Å; F75-T78 PolarHBondContact O-N 2.91Å; F75-T78 VanDerWaalsContact O-N 3.17Å; F75-E79 WeakPolarHBondContact O-CB 3.3Å; F75-E79 WeakPolarHBondContact O-CG 3.48Å; F75-E79 PolarHBondContact O-N 3.42Å
76L95.9Very high95.3Very high6 Ų660 Ų603%0.03131%0.312CS..Hα-helixtrans-60.3-44.9179.1-169.171.2000112.7Y29 R32 F36 Y49 Q72 L73 Q74 T78 E79 S80 F87Y29-L76 HydrophobicContact CD2-CD1 4.19Å; Y29-L76 HydrophobicContact CE2-CB 4.37Å; Y29-L76 HydrophobicContact CE2-CD1 4.37Å; R32-L76 HydrophobicContact CB-CD1 3.66Å; R32-L76 HydrophobicContact CG-CD1 4.42Å; F36-L76 HydrophobicContact CE2-CD1 3.71Å; F36-L76 HydrophobicContact CE2-CG 4.22Å; F36-L76 HydrophobicContact CZ-CD1 3.81Å; F36-L76 HydrophobicContact CZ-CG 4.14Å; Y49-L76 HydrophobicContact CD2-CD2 4.13Å; Y49-L76 HydrophobicContact CE2-CD2 4.12Å; Q72-L76 WeakPolarHBondContact O-CB 3.45Å; Q72-L76 PolarHBondContact O-N 2.91Å; L73-L76 HydrophobicContact CD1-CD2 4.44Å; L73-L76 PolarHBondContact O-N 2.78Å; Q74-L76 VanDerWaalsContact C-N 3.32Å; Q74-L76 PolarHBondContact O-N 3.18Å; L76-T78 VanDerWaalsContact C-N 3.35Å; L76-E79 PolarHBondContact O-N 2.98Å; L76-S80 PolarHBondContact O-N 2.73Å; L76-S80 VanDerWaalsContact O-N 3.09Å; L76-S80 PolarHBondContact O-OG 2.8Å; L76-S80 VanDerWaalsContact O-OG 3.06Å; L76-F87 HydrophobicContact CD2-CE2 3.65Å; L76-F87 HydrophobicContact CD2-CZ 4Å; L76-F87 HydrophobicContact CG-CE2 3.82Å
77I97.7Very high95.6Very high4 Ų457.5 Ų57.52%0.02130%0.297CS..Hα-helixtrans-61.2-43.5174.7-71.2160.4000110.9L73 Q74 F75 S80 T81 F87 V115 L118 C120L73-I77 HydrophobicContact CD1-CD1 4.21Å; L73-I77 HydrophobicContact CD1-CG1 4.37Å; L73-I77 HydrophobicContact CG-CD1 3.96Å; L73-I77 WeakPolarHBondContact O-CB 3.39Å; L73-I77 WeakPolarHBondContact O-CD1 3.43Å; L73-I77 VanDerWaalsContact O-CG1 3.24Å; L73-I77 WeakPolarHBondContact O-CG1 3.3Å; L73-I77 PolarHBondContact O-N 3.44Å; Q74-I77 PolarHBondContact O-N 3.03Å; F75-I77 PolarHBondContact O-N 2.87Å; I77-S80 WeakPolarHBondContact CA-OG 3.17Å; I77-S80 PolarHBondContact O-OG 3.19Å; I77-T81 WeakPolarHBondContact O-CB 3.35Å; I77-T81 PolarHBondContact O-N 2.82Å; I77-T81 PolarHBondContact O-OG1 3.04Å; I77-F87 HydrophobicContact CG1-CD1 3.81Å; I77-F87 HydrophobicContact CG1-CD2 4.26Å; I77-F87 HydrophobicContact CG1-CE1 4.01Å; I77-F87 HydrophobicContact CG1-CE2 4.45Å; I77-F87 HydrophobicContact CG1-CG 3.93Å; I77-F87 HydrophobicContact CG1-CZ 4.33Å; I77-V115 HydrophobicContact CD1-CG1 4.31Å; I77-L118 HydrophobicContact CD1-CB 3.84Å; I77-C120 HydrophobicContact CD1-CB 3.87Å; I77-C120 HydrophobicContact CG1-CB 4.32Å
78T97.4Very high95.8Very high56 Ų5651 Ų5134%0.34427%0.266SS..Hα-helixtrans-63.1-49.8179.7-54.50000110.6Q74 F75 L76 S80 T81 E82Q74-T78 WeakPolarHBondContact O-CB 3.37Å; Q74-T78 PolarHBondContact O-N 2.92Å; Q74-T78 PolarHBondContact O-OG1 3.45Å; F75-T78 WeakPolarHBondContact O-CB 3.48Å; F75-T78 PolarHBondContact O-N 2.91Å; F75-T78 VanDerWaalsContact O-N 3.17Å; L76-T78 VanDerWaalsContact C-N 3.35Å; T78-S80 PolarHBondContact O-N 3.17Å; T78-T81 WeakPolarHBondContact O-CA 3.28Å; T78-T81 WeakPolarHBondContact O-CB 3.47Å; T78-T81 PolarHBondContact O-N 3.21Å; T78-E82 HydrophobicContact CG2-CG 4.37Å; T78-E82 WeakPolarHBondContact O-CG 3.2Å; T78-E82 PolarHBondContact O-N 3.24Å
79E96.9Very high96.1Very high37 Ų3745.5 Ų45.517%0.17324%0.241CC..Hα-helixtrans-63.7-36.9-178.6-63-113-151.500112.9Y29 K33 F36 F75 L76 A83Y29-E79 WeakPolarHBondContact OH-CG 3.39Å; Y29-E79 PolarHBondContact OH-OE1 3.07Å; K33-E79 WeakPolarHBondContact CD-OE1 3.36Å; K33-E79 VanDerWaalsContact CD-OE2 3.26Å; K33-E79 WeakPolarHBondContact CD-OE2 3.43Å; K33-E79 WeakPolarHBondContact CE-OE1 3.47Å; K33-E79 WeakPolarHBondContact CE-OE2 3.31Å; K33-E79 IonicContact NZ-OE1 2.75Å; K33-E79 PolarHBondContact NZ-OE1 3.14Å; K33-E79 IonicContact NZ-OE2 3.45Å; K33-E79 PolarHBondContact NZ-OE2 2.79Å; F36-E79 HydrophobicContact CD2-CB 4.28Å; F36-E79 HydrophobicContact CE2-CB 4.47Å; F75-E79 WeakPolarHBondContact O-CB 3.3Å; F75-E79 WeakPolarHBondContact O-CG 3.48Å; F75-E79 PolarHBondContact O-N 3.42Å; L76-E79 PolarHBondContact O-N 2.98Å; E79-A83 WeakPolarHBondContact O-CB 3.33Å; E79-A83 PolarHBondContact O-N 3Å; E79-A83 VanDerWaalsContact O-N 3.1Å
80S97.5Very high96.4Very high0 Ų043.3 Ų43.30%023%0.23CC..Hα-helixtrans-65.2-42.2170.948.60000111.8L76 I77 T78 A83 G84 V85 F87L76-S80 PolarHBondContact O-N 2.73Å; L76-S80 VanDerWaalsContact O-N 3.09Å; L76-S80 PolarHBondContact O-OG 2.8Å; L76-S80 VanDerWaalsContact O-OG 3.06Å; I77-S80 WeakPolarHBondContact CA-OG 3.17Å; I77-S80 PolarHBondContact O-OG 3.19Å; T78-S80 PolarHBondContact O-N 3.17Å; S80-A83 CarbonylContact O-C 3.55Å; S80-A83 PolarHBondContact O-N 3.32Å; S80-G84 PolarHBondContact O-N 3.03Å; S80-V85 CarbonylContact C-O 3.58Å; S80-V85 VanDerWaalsContact C-O 3.26Å; S80-V85 WeakPolarHBondContact CB-O 3.41Å; S80-V85 WeakPolarHBondContact O-CA 3.22Å; S80-V85 PolarHBondContact O-N 3.45Å; S80-V85 VanDerWaalsContact O-O 3.09Å; S80-F87 WeakPolarHBondContact OG-CB 3.37Å; S80-F87 WeakPolarHBondContact OG-CD2 3.3Å
81T96.2Very high96.6Very high93 Ų9340.5 Ų40.557%0.57122%0.217SC*.Hα-helixtrans-65.9-42.5-179.9-53.70000111.3I77 T78 A83 G84I77-T81 WeakPolarHBondContact O-CB 3.35Å; I77-T81 PolarHBondContact O-N 2.82Å; I77-T81 PolarHBondContact O-OG1 3.04Å; T78-T81 WeakPolarHBondContact O-CA 3.28Å; T78-T81 WeakPolarHBondContact O-CB 3.47Å; T78-T81 PolarHBondContact O-N 3.21Å; T81-A83 VanDerWaalsContact C-N 3.27Å; T81-A83 PolarHBondContact O-N 3.13Å; T81-G84 PolarHBondContact O-N 3.36Å
82E96.8Very high96.6Very high151 Ų15135.9 Ų35.971%0.70620%0.196SC*.Hα-helixtrans-63.8-30.8174.4-72.2-178.3176.600112.6T78 G84T78-E82 HydrophobicContact CG2-CG 4.37Å; T78-E82 WeakPolarHBondContact O-CG 3.2Å; T78-E82 PolarHBondContact O-N 3.24Å; E82-G84 VanDerWaalsContact C-N 3.28Å; E82-G84 PolarHBondContact O-N 3.01Å
83A96.4Very high96.7Very high15 Ų1533.3 Ų33.312%0.12418%0.184CC..THydrogen-bonded Turntrans-81.41.8172.200000114.1F36 N40 E79 S80 T81 V85F36-A83 HydrophobicContact CB-CB 3.7Å; N40-A83 WeakPolarHBondContact CB-O 3.4Å; N40-A83 PolarHBondContact ND2-O 3.06Å; E79-A83 WeakPolarHBondContact O-CB 3.33Å; E79-A83 PolarHBondContact O-N 3Å; E79-A83 VanDerWaalsContact O-N 3.1Å; S80-A83 CarbonylContact O-C 3.55Å; S80-A83 PolarHBondContact O-N 3.32Å; T81-A83 VanDerWaalsContact C-N 3.27Å; T81-A83 PolarHBondContact O-N 3.13Å; A83-V85 VanDerWaalsContact C-N 3.29Å; A83-V85 HydrophobicContact CB-CG2 4.37Å; A83-V85 PolarHBondContact O-N 3.25Å
84G96.5Very high96.5Very high53 Ų5333.4 Ų33.455%0.54619%0.188SC..THydrogen-bonded Turntrans68.326.4-176.400000113.9S80 T81 E82S80-G84 PolarHBondContact O-N 3.03Å; T81-G84 PolarHBondContact O-N 3.36Å; E82-G84 VanDerWaalsContact C-N 3.28Å; E82-G84 PolarHBondContact O-N 3.01Å
85V97.9Very high96Very high2 Ų236.9 Ų36.91%0.01220%0.202CC..  trans-108.2119.2177.2177.10000109.5F36 M39 N45 S80 A83 F87F36-V85 HydrophobicContact CB-CG2 4.32Å; F36-V85 HydrophobicContact CD1-CG1 4.28Å; M39-V85 HydrophobicContact CB-CG2 3.93Å; M39-V85 HydrophobicContact CE-CB 4.41Å; M39-V85 HydrophobicContact CE-CG1 3.46Å; M39-V85 VanDerWaalsContact CE-CG1 3.46Å; M39-V85 HydrophobicContact CE-CG2 4.01Å; M39-V85 HydrophobicContact SD-CG1 4.17Å; M39-V85 HydrophobicContact SD-CG2 4.41Å; N45-V85 CarbonylContact O-C 3.57Å; N45-V85 WeakPolarHBondContact O-CA 3.48Å; S80-V85 CarbonylContact C-O 3.58Å; S80-V85 VanDerWaalsContact C-O 3.26Å; S80-V85 WeakPolarHBondContact CB-O 3.41Å; S80-V85 WeakPolarHBondContact O-CA 3.22Å; S80-V85 PolarHBondContact O-N 3.45Å; S80-V85 VanDerWaalsContact O-O 3.09Å; A83-V85 VanDerWaalsContact C-N 3.29Å; A83-V85 HydrophobicContact CB-CG2 4.37Å; A83-V85 PolarHBondContact O-N 3.25Å; V85-F87 PolarHBondContact O-N 2.84Å
86L98Very high95.7Very high62 Ų6235.5 Ų35.533%0.32520%0.2SC..EExtended strand (participates in β ladder)trans-65.7114.6173.9-179.265.4000110.4L15 N45 Y47 I88 A122 V165L15-L86 HydrophobicContact CD2-CD2 4.06Å; N45-L86 WeakPolarHBondContact O-CB 3.36Å; N45-L86 PolarHBondContact O-N 3.02Å; Y47-L86 PolarHBondContact N-O 3.23Å; L86-I88 HydrophobicContact CD2-CG1 4.31Å; L86-I88 HydrophobicContact CG-CG1 4.23Å; L86-I88 PolarHBondContact O-N 2.93Å; L86-A122 HydrophobicContact CD1-CB 3.95Å; L86-A122 HydrophobicContact CD2-CB 4Å; L86-A122 HydrophobicContact CG-CB 3.99Å; L86-V165 HydrophobicContact CD2-CB 4.12Å; L86-V165 HydrophobicContact CD2-CG1 4.29Å; L86-V165 HydrophobicContact CD2-CG2 3.79Å
87F98.3Very high95.4Very high5 Ų535.9 Ų35.92%0.02220%0.203CC..EExtended strand (participates in β ladder)trans-79.8112.6172.5-163.7-81.9000110.8Y47 Y49 L73 L76 I77 S80 V85 F89 C120Y47-F87 AromaticContact CD1-CD2 3.8Å; Y47-F87 HydrophobicContact CD1-CD2 3.8Å; Y47-F87 AromaticContact CD1-CE2 3.81Å; Y47-F87 HydrophobicContact CD1-CE2 3.81Å; Y47-F87 HydrophobicContact CE1-CD2 4.15Å; Y47-F87 AromaticContact CE1-CE2 3.66Å; Y47-F87 HydrophobicContact CE1-CE2 3.66Å; Y47-F87 HydrophobicContact CE1-CZ 4.27Å; Y49-F87 HydrophobicContact CD2-CE2 4.41Å; Y49-F87 AromaticContact CD2-CZ 3.83Å; Y49-F87 HydrophobicContact CD2-CZ 3.83Å; Y49-F87 HydrophobicContact CG-CE1 4.48Å; Y49-F87 AromaticContact CG-CZ 3.9Å; Y49-F87 HydrophobicContact CG-CZ 3.9Å; L73-F87 HydrophobicContact CD1-CE1 4.16Å; L73-F87 HydrophobicContact CD1-CZ 3.8Å; L76-F87 HydrophobicContact CD2-CE2 3.65Å; L76-F87 HydrophobicContact CD2-CZ 4Å; L76-F87 HydrophobicContact CG-CE2 3.82Å; I77-F87 HydrophobicContact CG1-CD1 3.81Å; I77-F87 HydrophobicContact CG1-CD2 4.26Å; I77-F87 HydrophobicContact CG1-CE1 4.01Å; I77-F87 HydrophobicContact CG1-CE2 4.45Å; I77-F87 HydrophobicContact CG1-CG 3.93Å; I77-F87 HydrophobicContact CG1-CZ 4.33Å; S80-F87 WeakPolarHBondContact OG-CB 3.37Å; S80-F87 WeakPolarHBondContact OG-CD2 3.3Å; V85-F87 PolarHBondContact O-N 2.84Å; F87-F89 HydrophobicContact CD1-CB 4.47Å; F87-F89 HydrophobicContact CE1-CB 4.17Å; F87-F89 HydrophobicContact CE1-CD2 4.39Å; F87-C120 PolarHBondContact O-SG 2.78Å
88I98.6Very high95.3Very high0 Ų037.8 Ų37.80%021%0.214CC..EExtended strand (participates in β ladder)trans-101.5113.3174.6-43.7177.2000108.2L15 Y47 L48 Y49 L86 A122 A124 V165 L167L15-I88 HydrophobicContact CD1-CD1 4.19Å; Y47-I88 PolarHBondContact O-N 2.72Å; L48-I88 HydrophobicContact CB-CB 4.47Å; L48-I88 HydrophobicContact CD1-CB 3.74Å; L48-I88 HydrophobicContact CD1-CG2 3.56Å; Y49-I88 PolarHBondContact N-O 3.32Å; L86-I88 HydrophobicContact CD2-CG1 4.31Å; L86-I88 HydrophobicContact CG-CG1 4.23Å; L86-I88 PolarHBondContact O-N 2.93Å; I88-A122 WeakPolarHBondContact CA-O 3.45Å; I88-A122 HydrophobicContact CB-CB 4.19Å; I88-A122 HydrophobicContact CG1-CB 3.87Å; I88-A122 HydrophobicContact CG2-CB 4.1Å; I88-A124 HydrophobicContact CG2-CB 4.33Å; I88-V165 HydrophobicContact CD1-CG1 3.94Å; I88-V165 HydrophobicContact CG1-CG1 4.38Å; I88-L167 HydrophobicContact CD1-CD1 4.1Å; I88-L167 HydrophobicContact CG2-CD1 4.23Å; I88-L167 HydrophobicContact CG2-CG 4.44Å
89F98.2Very high95.2Very high1 Ų135.7 Ų35.70%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-86.4115.4178.1178.4-99.6000111Y49 Y65 L73 F87 I91 V115 A122 F123 A124Y49-F89 HydrophobicContact CD1-CD2 4.35Å; Y49-F89 HydrophobicContact CD1-CE2 4.35Å; Y65-F89 HydrophobicContact CE2-CE2 4.21Å; Y65-F89 HydrophobicContact CE2-CZ 4.08Å; Y65-F89 WeakPolarHBondContact OH-CE2 3.41Å; Y65-F89 WeakPolarHBondContact OH-CZ 3.35Å; L73-F89 HydrophobicContact CD2-CE2 4.35Å; F87-F89 HydrophobicContact CD1-CB 4.47Å; F87-F89 HydrophobicContact CE1-CB 4.17Å; F87-F89 HydrophobicContact CE1-CD2 4.39Å; F89-I91 HydrophobicContact CE1-CB 4.05Å; F89-I91 HydrophobicContact CE1-CD1 4.41Å; F89-V115 HydrophobicContact CB-CG1 3.93Å; F89-V115 HydrophobicContact CD1-CB 4.36Å; F89-V115 HydrophobicContact CD1-CG1 4.13Å; F89-V115 HydrophobicContact CD1-CG2 4.2Å; F89-V115 HydrophobicContact CD2-CG1 3.96Å; F89-V115 HydrophobicContact CD2-CG2 4.29Å; F89-V115 HydrophobicContact CE1-CG2 3.98Å; F89-V115 HydrophobicContact CE2-CG2 4.07Å; F89-V115 HydrophobicContact CG-CB 4.43Å; F89-V115 HydrophobicContact CG-CG1 3.73Å; F89-V115 HydrophobicContact CG-CG2 4.35Å; F89-V115 HydrophobicContact CZ-CG2 3.91Å; F89-A122 PolarHBondContact N-O 2.98Å; F89-F123 HydrophobicContact CB-CD1 4.24Å; F89-F123 HydrophobicContact CD1-CD1 4.22Å; F89-F123 HydrophobicContact CD1-CE1 4.5Å; F89-F123 CarbonylContact O-C 3.09Å; F89-F123 WeakPolarHBondContact O-CA 3.39Å; F89-A124 PolarHBondContact O-N 2.7Å
90A98Very high95.1Very high0 Ų035.9 Ų35.90%021%0.206CC..EExtended strand (participates in β ladder)trans-94150.9173.800000112.5L48 Y49 A50 H57 A124 L126L48-A90 HydrophobicContact CD1-CB 3.88Å; Y49-A90 WeakPolarHBondContact O-CA 3.4Å; Y49-A90 WeakPolarHBondContact O-CB 3.3Å; Y49-A90 PolarHBondContact O-N 2.83Å; A50-A90 HydrophobicContact CB-CB 3.79Å; H57-A90 PolarHBondContact CE1-O 3.12Å; H57-A90 PolarHBondContact ND1-O 3.49Å; A90-A124 WeakPolarHBondContact CA-O 3.22Å; A90-A124 HydrophobicContact CB-CB 3.84Å; A90-L126 HydrophobicContact CB-CD1 3.86Å; A90-L126 HydrophobicContact CB-CD2 4.45Å; A90-L126 HydrophobicContact CB-CG 4.07Å
91I96.6Very high95Very high2 Ų237.5 Ų37.51%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-142.5142.1169.7-172.6154.6000110.3C61 F89 P93 L108 K111 A124 L125 L126C61-I91 HydrophobicContact CB-CD1 4.02Å; C61-I91 HydrophobicContact CB-CG1 3.94Å; F89-I91 HydrophobicContact CE1-CB 4.05Å; F89-I91 HydrophobicContact CE1-CD1 4.41Å; I91-P93 WeakPolarHBondContact O-CD 3.22Å; I91-L108 HydrophobicContact CD1-CD1 3.58Å; I91-L108 HydrophobicContact CG1-CD1 4.1Å; I91-L108 HydrophobicContact CG2-CD1 4.01Å; I91-K111 HydrophobicContact CD1-CD 4.41Å; I91-K111 HydrophobicContact CD1-CG 3.55Å; I91-A124 PolarHBondContact N-O 3.37Å; I91-L125 HydrophobicContact CG2-CD2 3.55Å; I91-L126 PolarHBondContact O-N 2.9Å
92S95Very high95Very high3 Ų336.5 Ų36.52%0.02122%0.219CC..  trans-119.263.8-165.8-63.40000112.2H57 G94H57-S92 PolarHBondContact CE1-OG 3.07Å; H57-S92 PolarHBondContact NE2-OG 3.42Å; H57-S92 PolarHBondContact O-N 3.17Å; S92-G94 VanDerWaalsContact C-N 3.27Å; S92-G94 PolarHBondContact O-N 2.8Å
93P93.5Very high94.9Very high4 Ų436.1 Ų36.13%0.02622%0.215CC..G310 helixtrans-74.2-10.2-169.132.1-37.9000114.7I91 F95 V97 L108 F127 F152I91-P93 WeakPolarHBondContact O-CD 3.22Å; P93-F95 PolarHBondContact O-N 3.32Å; P93-V97 VanDerWaalsContact O-CB 3.3Å; P93-V97 WeakPolarHBondContact O-CB 3.47Å; P93-V97 WeakPolarHBondContact O-CG1 3.49Å; P93-L108 HydrophobicContact CG-CD2 4.25Å; P93-F127 HydrophobicContact CG-CE1 4.1Å; P93-F127 HydrophobicContact CG-CZ 4.29Å; P93-F152 HydrophobicContact CG-CE1 4.01Å
94G89.5Confident94.8Very high14 Ų1436.6 Ų36.614%0.14421%0.214CC..G310 helixtrans-671-169.200000117S92 I130S92-G94 VanDerWaalsContact C-N 3.27Å; S92-G94 PolarHBondContact O-N 2.8Å; G94-I130 WeakPolarHBondContact O-CG2 3.43Å
95F85.4Confident94.7Very high154 Ų15434.9 Ų34.968%0.67519%0.193SC*.G310 helixtrans-71.7-43.9-176.3-171.7-108.9000112.9P93P93-F95 PolarHBondContact O-N 3.32Å
96D88.7Confident94.6Very high84 Ų8438.6 Ų38.645%0.44921%0.213SC..THydrogen-bonded Turntrans-145.73.1-174.571.1-13.9000114.6R62R62-D96 IonicContact CZ-OD1 2.71Å; R62-D96 VanDerWaalsContact CZ-OD1 3.23Å; R62-D96 IonicContact CZ-OD2 3.87Å; R62-D96 IonicContact NH1-OD1 3.23Å; R62-D96 PolarHBondContact NH1-OD1 3.21Å; R62-D96 IonicContact NH1-OD2 3.24Å; R62-D96 PolarHBondContact NH1-OD2 3.49Å; R62-D96 VanDerWaalsContact NH2-CG 3.32Å; R62-D96 IonicContact NH2-OD1 3.37Å; R62-D96 PolarHBondContact NH2-OD1 3.26Å; R62-D96 IonicContact NH2-OD2 3.64Å
97V91.5Very high94.4Very high14 Ų1437.5 Ų37.59%0.08521%0.207CC..  trans-59.7138.6-178.767.20000112.5P93 F99 E104 F152P93-V97 VanDerWaalsContact O-CB 3.3Å; P93-V97 WeakPolarHBondContact O-CB 3.47Å; P93-V97 WeakPolarHBondContact O-CG1 3.49Å; V97-F99 HydrophobicContact CG1-CD1 4.06Å; V97-F99 HydrophobicContact CG1-CD2 4.2Å; V97-F99 HydrophobicContact CG1-CE1 3.62Å; V97-F99 HydrophobicContact CG1-CE2 3.75Å; V97-F99 HydrophobicContact CG1-CG 4.34Å; V97-F99 HydrophobicContact CG1-CZ 3.44Å; V97-F99 VanDerWaalsContact CG1-CZ 3.44Å; V97-E104 HydrophobicContact CG2-CB 4.06Å; V97-E104 HydrophobicContact CG2-CG 4.48Å; V97-F152 HydrophobicContact CG2-CE2 4.08Å; V97-F152 HydrophobicContact CG2-CZ 4.03Å
98T94.7Very high94.3Very high43 Ų4337.6 Ų37.626%0.26421%0.208SC..  trans-97.5101.2167-66.70000108.4S100 S101 A137 D138T98-S100 PolarHBondContact O-N 3.47Å; T98-S101 VanDerWaalsContact O-CB 3.32Å; T98-S101 WeakPolarHBondContact O-CB 3.4Å; T98-S101 PolarHBondContact O-N 2.86Å; T98-A137 HydrophobicContact CG2-CB 4.42Å; T98-D138 WeakPolarHBondContact CA-OD2 3.35Å; T98-D138 WeakPolarHBondContact CG2-OD1 3.4Å
99F95Very high94.2Very high13 Ų1339 Ų396%0.05721%0.214CC..THydrogen-bonded Turntrans-62.1-27.9-169.1-67.3-82.6000114V97 S101 F127 L134 D138 F142 A148 H149 F152V97-F99 HydrophobicContact CG1-CD1 4.06Å; V97-F99 HydrophobicContact CG1-CD2 4.2Å; V97-F99 HydrophobicContact CG1-CE1 3.62Å; V97-F99 HydrophobicContact CG1-CE2 3.75Å; V97-F99 HydrophobicContact CG1-CG 4.34Å; V97-F99 HydrophobicContact CG1-CZ 3.44Å; V97-F99 VanDerWaalsContact CG1-CZ 3.44Å; F99-S101 VanDerWaalsContact C-N 3.34Å; F99-F127 HydrophobicContact CE1-CD1 4.45Å; F99-F127 AromaticContact CE1-CE1 3.61Å; F99-F127 HydrophobicContact CE1-CE1 3.61Å; F99-F127 HydrophobicContact CE1-CZ 4.13Å; F99-F127 HydrophobicContact CZ-CD1 4.3Å; F99-F127 AromaticContact CZ-CE1 3.86Å; F99-F127 HydrophobicContact CZ-CE1 3.86Å; F99-L134 HydrophobicContact CD2-CD2 4.15Å; F99-D138 VanDerWaalsContact N-CG 3.34Å; F99-D138 PolarHBondContact N-OD1 3.22Å; F99-D138 PolarHBondContact N-OD2 2.95Å; F99-F142 HydrophobicContact CB-CD2 4.34Å; F99-F142 HydrophobicContact CB-CE2 3.71Å; F99-F142 HydrophobicContact CB-CZ 4.44Å; F99-A148 HydrophobicContact CB-CB 3.86Å; F99-A148 HydrophobicContact CD1-CB 4.37Å; F99-A148 HydrophobicContact CD2-CB 3.97Å; F99-A148 HydrophobicContact CG-CB 3.82Å; F99-H149 AromaticContact CE1-CD2 3.69Å; F99-H149 AromaticContact CE2-CD2 3.63Å; F99-H149 AromaticContact CE2-NE2 3.82Å; F99-H149 AromaticContact CZ-CD2 3.19Å; F99-H149 WeakPolarHBondContact CZ-CD2 3.29Å; F99-H149 AromaticContact CZ-NE2 3.6Å; F99-F152 HydrophobicContact CD1-CB 3.8Å; F99-F152 HydrophobicContact CD1-CD1 4.28Å; F99-F152 AromaticContact CD1-CD2 3.91Å; F99-F152 HydrophobicContact CD1-CD2 3.91Å; F99-F152 AromaticContact CD1-CG 3.77Å; F99-F152 HydrophobicContact CD1-CG 3.77Å; F99-F152 HydrophobicContact CE1-CB 4.39Å; F99-F152 HydrophobicContact CE1-CD1 4.35Å; F99-F152 HydrophobicContact CE1-CG 4.28Å
100S95.3Very high94.1Very high40 Ų4045.1 Ų45.128%0.2824%0.24SC..THydrogen-bonded Turntrans-83.4-9.5179.559.60000113.5T98 A102 D138T98-S100 PolarHBondContact O-N 3.47Å; S100-A102 PolarHBondContact O-N 3.47Å; S100-D138 WeakPolarHBondContact CB-OD1 3.38Å; S100-D138 PolarHBondContact N-OD1 2.8Å; S100-D138 PolarHBondContact OG-OD1 3.49Å
101S95.8Very high94Very high35 Ų3545.2 Ų45.225%0.24524%0.241CC..  trans-80.8109.7-179.5178.70000110.9T98 F99 K103 E104 V105T98-S101 VanDerWaalsContact O-CB 3.32Å; T98-S101 WeakPolarHBondContact O-CB 3.4Å; T98-S101 PolarHBondContact O-N 2.86Å; F99-S101 VanDerWaalsContact C-N 3.34Å; S101-K103 PolarHBondContact O-N 3.46Å; S101-K103 VanDerWaalsContact O-N 3.1Å; S101-K103 PolarHBondContact OG-N 3.06Å; S101-E104 WeakPolarHBondContact O-CB 3.44Å; S101-E104 PolarHBondContact O-N 3.11Å; S101-E104 PolarHBondContact OG-N 3.33Å; S101-V105 PolarHBondContact O-N 3.15Å; S101-V105 VanDerWaalsContact O-N 3.13Å
102A94.7Very high94Very high72 Ų7245.3 Ų45.360%0.59524%0.241SC*.Hα-helixtrans-53.7-31172.300000112.6S100 V105 D106S100-A102 PolarHBondContact O-N 3.47Å; A102-V105 PolarHBondContact O-N 3.13Å; A102-D106 WeakPolarHBondContact O-CB 3.31Å; A102-D106 PolarHBondContact O-N 3.02Å
103K95.4Very high94.1Very high143 Ų14347.1 Ų47.162%0.62225%0.251SS*.Hα-helixtrans-64.9-40.3174.8-174.3-161.4171.9-152.10112.2S101 D106 I107S101-K103 PolarHBondContact O-N 3.46Å; S101-K103 VanDerWaalsContact O-N 3.1Å; S101-K103 PolarHBondContact OG-N 3.06Å; K103-D106 PolarHBondContact O-N 3.39Å; K103-I107 HydrophobicContact CG-CD1 4.17Å; K103-I107 WeakPolarHBondContact O-CD1 3.43Å; K103-I107 VanDerWaalsContact O-CG1 3.24Å; K103-I107 WeakPolarHBondContact O-CG1 3.37Å; K103-I107 PolarHBondContact O-N 3.24Å
104E93.8Very high94.3Very high25 Ų2547.7 Ų47.712%0.11725%0.253CS..Hα-helixtrans-69.4-41.6178.5-65.1-67.3107.800110.7R62 V97 S101 I107 L108R62-E104 IonicContact CZ-OE2 2.78Å; R62-E104 IonicContact NE-OE1 3.24Å; R62-E104 IonicContact NE-OE2 2.67Å; R62-E104 PolarHBondContact NE-OE2 2.98Å; R62-E104 IonicContact NH2-OE2 3.43Å; R62-E104 PolarHBondContact NH2-OE2 3.38Å; V97-E104 HydrophobicContact CG2-CB 4.06Å; V97-E104 HydrophobicContact CG2-CG 4.48Å; S101-E104 WeakPolarHBondContact O-CB 3.44Å; S101-E104 PolarHBondContact O-N 3.11Å; S101-E104 PolarHBondContact OG-N 3.33Å; E104-I107 PolarHBondContact O-N 2.99Å; E104-L108 PolarHBondContact O-N 2.98Å
105V94.2Very high94.6Very high17 Ų1747 Ų4710%0.10325%0.246CC..Hα-helixtrans-58.3-48.3171.9175.60000110.8S101 A102 I107 L108 K109 F152 E155S101-V105 PolarHBondContact O-N 3.15Å; S101-V105 VanDerWaalsContact O-N 3.13Å; A102-V105 PolarHBondContact O-N 3.13Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 3.05Å; V105-L108 PolarHBondContact O-N 3.08Å; V105-K109 HydrophobicContact CG1-CD 3.97Å; V105-K109 HydrophobicContact CG1-CG 4.39Å; V105-K109 WeakPolarHBondContact O-CB 3.26Å; V105-K109 VanDerWaalsContact O-CG 3.29Å; V105-K109 WeakPolarHBondContact O-CG 3.46Å; V105-K109 PolarHBondContact O-N 3.44Å; V105-F152 HydrophobicContact CG2-CD2 3.88Å; V105-F152 HydrophobicContact CG2-CE2 3.8Å; V105-E155 HydrophobicContact CG1-CG 3.86Å
106D96Very high95.2Very high79 Ų7942.3 Ų42.342%0.42223%0.228SC..Hα-helixtrans-65.4-29.4178.4-80.3-8.5000113.8A102 K103 K110A102-D106 WeakPolarHBondContact O-CB 3.31Å; A102-D106 PolarHBondContact O-N 3.02Å; K103-D106 PolarHBondContact O-N 3.39Å; D106-K110 VanDerWaalsContact O-CD 3.28Å; D106-K110 WeakPolarHBondContact O-CD 3.28Å; D106-K110 VanDerWaalsContact O-CG 3.25Å; D106-K110 WeakPolarHBondContact O-CG 3.34Å; D106-K110 PolarHBondContact O-N 2.92Å
107I95.2Very high95.6Very high39 Ų3945.8 Ų45.820%0.224%0.239CC..Hα-helixtrans-68.6-49.2172.5-74.4163.5000109.7R62 K103 E104 V105 K109 K110 K111R62-I107 HydrophobicContact CB-CG2 3.76Å; R62-I107 HydrophobicContact CG-CG2 3.92Å; K103-I107 HydrophobicContact CG-CD1 4.17Å; K103-I107 WeakPolarHBondContact O-CD1 3.43Å; K103-I107 VanDerWaalsContact O-CG1 3.24Å; K103-I107 WeakPolarHBondContact O-CG1 3.37Å; K103-I107 PolarHBondContact O-N 3.24Å; E104-I107 PolarHBondContact O-N 2.99Å; V105-I107 VanDerWaalsContact C-N 3.31Å; V105-I107 PolarHBondContact O-N 3.05Å; I107-K109 PolarHBondContact O-N 2.99Å; I107-K110 PolarHBondContact O-N 3.2Å; I107-K111 PolarHBondContact O-N 3.36Å
108L94.9Very high95.8Very high8 Ų845.8 Ų45.84%0.04224%0.238CC..Hα-helixtrans-66.5-38-179.7-171.562.5000112.2I91 P93 E104 V105 K110 K111 V112 L125 F152 I156I91-L108 HydrophobicContact CD1-CD1 3.58Å; I91-L108 HydrophobicContact CG1-CD1 4.1Å; I91-L108 HydrophobicContact CG2-CD1 4.01Å; P93-L108 HydrophobicContact CG-CD2 4.25Å; E104-L108 PolarHBondContact O-N 2.98Å; V105-L108 PolarHBondContact O-N 3.08Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 2.92Å; L108-K111 HydrophobicContact CD1-CB 4.46Å; L108-K111 WeakPolarHBondContact O-CB 3.29Å; L108-K111 PolarHBondContact O-N 3.49Å; L108-K111 VanDerWaalsContact O-N 3.15Å; L108-V112 PolarHBondContact O-N 3.16Å; L108-L125 HydrophobicContact CD2-CD2 4.09Å; L108-F152 HydrophobicContact CB-CZ 4.38Å; L108-F152 HydrophobicContact CD2-CD1 4.42Å; L108-F152 HydrophobicContact CD2-CE1 3.27Å; L108-F152 HydrophobicContact CD2-CZ 3.42Å; L108-F152 VanDerWaalsContact CD2-CZ 3.42Å; L108-I156 HydrophobicContact CB-CD1 4.16Å; L108-I156 HydrophobicContact CD2-CD1 3.97Å; L108-I156 HydrophobicContact CD2-CG1 3.98Å; L108-I156 HydrophobicContact CG-CD1 4Å; L108-I156 HydrophobicContact CG-CG1 4.5Å
109K97.1Very high95.9Very high30 Ų3045.1 Ų45.113%0.1324%0.24CC..Hα-helixtrans-53.7-49170.7-76.5175.6173.5-178.70111.6V105 I107 K111 V112 D113 E155 I156 H159V105-K109 HydrophobicContact CG1-CD 3.97Å; V105-K109 HydrophobicContact CG1-CG 4.39Å; V105-K109 WeakPolarHBondContact O-CB 3.26Å; V105-K109 VanDerWaalsContact O-CG 3.29Å; V105-K109 WeakPolarHBondContact O-CG 3.46Å; V105-K109 PolarHBondContact O-N 3.44Å; I107-K109 PolarHBondContact O-N 2.99Å; K109-K111 VanDerWaalsContact C-N 3.33Å; K109-K111 PolarHBondContact O-N 3.41Å; K109-V112 VanDerWaalsContact O-CG2 3.29Å; K109-V112 WeakPolarHBondContact O-CG2 3.18Å; K109-V112 PolarHBondContact O-N 3.21Å; K109-D113 VanDerWaalsContact O-CB 3.31Å; K109-D113 WeakPolarHBondContact O-CB 3.48Å; K109-D113 PolarHBondContact O-N 2.89Å; K109-E155 WeakPolarHBondContact CE-OE1 3.28Å; K109-E155 IonicContact NZ-OE1 3.42Å; K109-E155 PolarHBondContact NZ-OE1 2.95Å; K109-I156 HydrophobicContact CG-CD1 3.8Å; K109-H159 HydrophobicContact CD-CB 4.42Å; K109-H159 WeakPolarHBondContact CD-ND1 3.48Å; K109-H159 HydrophobicContact CG-CB 4.3Å
110K96.5Very high96Very high129 Ų12944.6 Ų44.656%0.56124%0.238SC*.Hα-helixtrans-62.3-36.8176.6-71.7162.1-169.5158.50113.1D106 I107 L108 Q114D106-K110 VanDerWaalsContact O-CD 3.28Å; D106-K110 WeakPolarHBondContact O-CD 3.28Å; D106-K110 VanDerWaalsContact O-CG 3.25Å; D106-K110 WeakPolarHBondContact O-CG 3.34Å; D106-K110 PolarHBondContact O-N 2.92Å; I107-K110 PolarHBondContact O-N 3.2Å; L108-K110 VanDerWaalsContact C-N 3.34Å; L108-K110 PolarHBondContact O-N 2.92Å; K110-Q114 WeakPolarHBondContact O-CB 3.11Å; K110-Q114 PolarHBondContact O-N 3.03Å
111K95.6Very high96.1Very high2 Ų249.7 Ų49.71%0.00925%0.251CS..Hα-helixtrans-67.3-43.4177.2-179.769.1166.5-1730111.8K56 D63 Y65 I91 I107 L108 K109 Q114 V115K56-K111 WeakPolarHBondContact O-CE 3.42Å; K56-K111 PolarHBondContact O-NZ 3.41Å; D63-K111 PolarHBondContact O-NZ 3.31Å; Y65-K111 HydrophobicContact CD2-CD 4.48Å; Y65-K111 HydrophobicContact CE2-CD 4.26Å; Y65-K111 VanDerWaalsContact CZ-NZ 3.29Å; I91-K111 HydrophobicContact CD1-CD 4.41Å; I91-K111 HydrophobicContact CD1-CG 3.55Å; I107-K111 PolarHBondContact O-N 3.36Å; L108-K111 HydrophobicContact CD1-CB 4.46Å; L108-K111 WeakPolarHBondContact O-CB 3.29Å; L108-K111 PolarHBondContact O-N 3.49Å; L108-K111 VanDerWaalsContact O-N 3.15Å; K109-K111 VanDerWaalsContact C-N 3.33Å; K109-K111 PolarHBondContact O-N 3.41Å; K111-Q114 WeakPolarHBondContact O-CB 3.28Å; K111-Q114 PolarHBondContact O-N 2.9Å; K111-V115 PolarHBondContact O-N 3.26Å
112V96.5Very high96.2Very high3 Ų348 Ų482%0.01824%0.24CC..Hα-helixtrans-73-34.6174.6-57.90000112.1L108 K109 Q114 V115 L116 F123 I156 L160L108-V112 PolarHBondContact O-N 3.16Å; K109-V112 VanDerWaalsContact O-CG2 3.29Å; K109-V112 WeakPolarHBondContact O-CG2 3.18Å; K109-V112 PolarHBondContact O-N 3.21Å; V112-Q114 PolarHBondContact O-N 3.43Å; V112-V115 PolarHBondContact O-N 2.68Å; V112-L116 VanDerWaalsContact O-CB 3.28Å; V112-L116 WeakPolarHBondContact O-CB 3.34Å; V112-L116 PolarHBondContact O-N 3.05Å; V112-F123 HydrophobicContact CB-CD1 4.48Å; V112-F123 HydrophobicContact CB-CE1 4.24Å; V112-F123 HydrophobicContact CG1-CD1 4.49Å; V112-I156 HydrophobicContact CG1-CG2 4.45Å; V112-I156 HydrophobicContact CG2-CG2 4.38Å; V112-L160 HydrophobicContact CB-CD1 4.2Å; V112-L160 HydrophobicContact CB-CD2 4.05Å; V112-L160 HydrophobicContact CB-CG 4.46Å; V112-L160 HydrophobicContact CG2-CD1 4.05Å; V112-L160 HydrophobicContact CG2-CD2 3.8Å; V112-L160 HydrophobicContact CG2-CG 3.95Å
113D97.4Very high96.3Very high41 Ų4144.8 Ų44.822%0.21921%0.212CC..Hα-helixtrans-61.6-30.3171.1-73.2-21.3000112.6K109 K117 H159K109-D113 VanDerWaalsContact O-CB 3.31Å; K109-D113 WeakPolarHBondContact O-CB 3.48Å; K109-D113 PolarHBondContact O-N 2.89Å; D113-K117 WeakPolarHBondContact O-CD 3.42Å; D113-K117 VanDerWaalsContact O-CE 3.25Å; D113-K117 WeakPolarHBondContact O-CE 3.47Å; D113-K117 VanDerWaalsContact O-CG 3.22Å; D113-K117 WeakPolarHBondContact O-CG 3.35Å; D113-K117 PolarHBondContact O-N 3.45Å; D113-K117 PolarHBondContact O-NZ 2.92Å; D113-H159 VanDerWaalsContact CG-NE2 3.35Å; D113-H159 IonicContact OD1-CD2 3.7Å; D113-H159 IonicContact OD1-CE1 3.98Å; D113-H159 IonicContact OD1-NE2 3.9Å; D113-H159 PolarHBondContact OD1-NE2 2.87Å; D113-H159 IonicContact OD2-CE1 2.82Å; D113-H159 IonicContact OD2-NE2 2.7Å; D113-H159 PolarHBondContact OD2-NE2 2.81Å
114Q96.7Very high96.5Very high16 Ų1638 Ų388%0.07518%0.183CC..Hα-helixtrans-64.5-55.9173.5-166.8175.827.700109.3Y65 E70 K110 K111 V112 L116 K117 L118Y65-Q114 PolarHBondContact O-NE2 3.16Å; E70-Q114 HydrophobicContact CG-CG 4.35Å; E70-Q114 WeakPolarHBondContact OE1-CG 3.41Å; E70-Q114 PolarHBondContact OE1-NE2 3.01Å; K110-Q114 WeakPolarHBondContact O-CB 3.11Å; K110-Q114 PolarHBondContact O-N 3.03Å; K111-Q114 WeakPolarHBondContact O-CB 3.28Å; K111-Q114 PolarHBondContact O-N 2.9Å; V112-Q114 PolarHBondContact O-N 3.43Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 2.84Å; Q114-K117 WeakPolarHBondContact O-CB 2.97Å; Q114-K117 PolarHBondContact O-N 2.92Å; Q114-K117 VanDerWaalsContact O-N 3.09Å; Q114-L118 PolarHBondContact O-N 3.37Å
115V96.6Very high96.7Very high0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-67.3-31.7-177.4-177.50000112.7Y65 L73 I77 F89 K111 V112 K117 L118 G119 C120 F123Y65-V115 HydrophobicContact CD2-CG2 4.26Å; Y65-V115 HydrophobicContact CE2-CG2 3.89Å; L73-V115 HydrophobicContact CD2-CG1 4.4Å; L73-V115 HydrophobicContact CD2-CG2 4.03Å; I77-V115 HydrophobicContact CD1-CG1 4.31Å; F89-V115 HydrophobicContact CB-CG1 3.93Å; F89-V115 HydrophobicContact CD1-CB 4.36Å; F89-V115 HydrophobicContact CD1-CG1 4.13Å; F89-V115 HydrophobicContact CD1-CG2 4.2Å; F89-V115 HydrophobicContact CD2-CG1 3.96Å; F89-V115 HydrophobicContact CD2-CG2 4.29Å; F89-V115 HydrophobicContact CE1-CG2 3.98Å; F89-V115 HydrophobicContact CE2-CG2 4.07Å; F89-V115 HydrophobicContact CG-CB 4.43Å; F89-V115 HydrophobicContact CG-CG1 3.73Å; F89-V115 HydrophobicContact CG-CG2 4.35Å; F89-V115 HydrophobicContact CZ-CG2 3.91Å; K111-V115 PolarHBondContact O-N 3.26Å; V112-V115 PolarHBondContact O-N 2.68Å; V115-K117 VanDerWaalsContact C-N 3.31Å; V115-K117 PolarHBondContact O-N 3.28Å; V115-L118 PolarHBondContact O-N 2.86Å; V115-G119 PolarHBondContact O-N 2.89Å; V115-C120 HydrophobicContact CG1-CB 3.74Å; V115-C120 PolarHBondContact O-N 3Å; V115-F123 HydrophobicContact CB-CE1 4.46Å; V115-F123 HydrophobicContact CG1-CE1 4.43Å
116L96.9Very high96.9Very high55 Ų5536.2 Ų36.229%0.28817%0.173SC..Hα-helixtrans-60.1-38.2171.4-174.471.3000112V112 Q114 G119 R121 F123 L160V112-L116 VanDerWaalsContact O-CB 3.28Å; V112-L116 WeakPolarHBondContact O-CB 3.34Å; V112-L116 PolarHBondContact O-N 3.05Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-L116 PolarHBondContact O-N 2.84Å; L116-G119 PolarHBondContact O-N 3.03Å; L116-R121 PolarHBondContact O-NH1 3.36Å; L116-F123 HydrophobicContact CB-CZ 4.21Å; L116-F123 HydrophobicContact CD1-CE2 4.15Å; L116-F123 HydrophobicContact CD1-CZ 4.07Å; L116-L160 HydrophobicContact CD1-CD2 4.4Å; L116-L160 HydrophobicContact CD2-CD2 4.24Å
117K97.3Very high96.9Very high157 Ų15732.5 Ų32.568%0.68315%0.153SC*.Hα-helixtrans-71-30.9176.5-67.9157.6-165.8152.40112.6D113 Q114 V115 G119D113-K117 WeakPolarHBondContact O-CD 3.42Å; D113-K117 VanDerWaalsContact O-CE 3.25Å; D113-K117 WeakPolarHBondContact O-CE 3.47Å; D113-K117 VanDerWaalsContact O-CG 3.22Å; D113-K117 WeakPolarHBondContact O-CG 3.35Å; D113-K117 PolarHBondContact O-N 3.45Å; D113-K117 PolarHBondContact O-NZ 2.92Å; Q114-K117 WeakPolarHBondContact O-CB 2.97Å; Q114-K117 PolarHBondContact O-N 2.92Å; Q114-K117 VanDerWaalsContact O-N 3.09Å; V115-K117 VanDerWaalsContact C-N 3.31Å; V115-K117 PolarHBondContact O-N 3.28Å; K117-G119 PolarHBondContact O-N 3.41Å
118L97.1Very high96.9Very high15 Ų1531 Ų318%0.07915%0.146CC..Hα-helixtrans-67.8-25.6177.5-55.3-176.2000112.6E70 L73 Q74 I77 Q114 V115E70-L118 HydrophobicContact CB-CD1 4.45Å; E70-L118 HydrophobicContact CB-CD2 3.94Å; E70-L118 HydrophobicContact CG-CD1 4.48Å; E70-L118 HydrophobicContact CG-CD2 4.12Å; L73-L118 HydrophobicContact CB-CD1 3.93Å; L73-L118 HydrophobicContact CD2-CD1 3.82Å; L73-L118 HydrophobicContact CG-CD1 3.85Å; Q74-L118 HydrophobicContact CB-CB 4.12Å; Q74-L118 HydrophobicContact CB-CD2 4.26Å; Q74-L118 PolarHBondContact NE2-O 2.92Å; Q74-L118 VanDerWaalsContact NE2-O 3.09Å; I77-L118 HydrophobicContact CD1-CB 3.84Å; Q114-L118 PolarHBondContact O-N 3.37Å; V115-L118 PolarHBondContact O-N 2.86Å
119G96.3Very high96.6Very high28 Ų2834.2 Ų34.229%0.28916%0.163SC..THydrogen-bonded Turntrans137.3-14.1171.600000115V115 L116 K117 R121V115-G119 PolarHBondContact O-N 2.89Å; L116-G119 PolarHBondContact O-N 3.03Å; K117-G119 PolarHBondContact O-N 3.41Å; G119-R121 PolarHBondContact O-NH1 3.48Å
120C97.3Very high96.3Very high3 Ų334.1 Ų34.12%0.0216%0.163CC..  trans-63.9145.3-176.1-178.20000112.3I77 F87 V115 A122I77-C120 HydrophobicContact CD1-CB 3.87Å; I77-C120 HydrophobicContact CG1-CB 4.32Å; F87-C120 PolarHBondContact O-SG 2.78Å; V115-C120 HydrophobicContact CG1-CB 3.74Å; V115-C120 PolarHBondContact O-N 3Å; C120-A122 PolarHBondContact SG-O 3.21Å
121R95.9Very high95.8Very high146 Ų14635.5 Ų35.555%0.55117%0.17SC*.  trans-129-5.6-177.7-59.6-64.8172.7-105.42.2114.4L116 G119 P163L116-R121 PolarHBondContact O-NH1 3.36Å; G119-R121 PolarHBondContact O-NH1 3.48Å; R121-P163 WeakPolarHBondContact O-CB 3.31Å
122A98Very high95.2Very high1 Ų139 Ų391%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-125.5139.7-179.700000110L86 I88 F89 C120 V165L86-A122 HydrophobicContact CD1-CB 3.95Å; L86-A122 HydrophobicContact CD2-CB 4Å; L86-A122 HydrophobicContact CG-CB 3.99Å; I88-A122 WeakPolarHBondContact CA-O 3.45Å; I88-A122 HydrophobicContact CB-CB 4.19Å; I88-A122 HydrophobicContact CG1-CB 3.87Å; I88-A122 HydrophobicContact CG2-CB 4.1Å; F89-A122 PolarHBondContact N-O 2.98Å; C120-A122 PolarHBondContact SG-O 3.21Å; A122-V165 VanDerWaalsContact CA-O 3.28Å; A122-V165 WeakPolarHBondContact CA-O 3.16Å; A122-V165 HydrophobicContact CB-CB 3.77Å; A122-V165 HydrophobicContact CB-CG1 3.96Å
123F98.4Very high94.6Very high4 Ų448 Ų482%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-137.1158-168.8-64.3-91.5000111.9F89 V112 V115 L116 L160 P163 V165 F166 L167F89-F123 HydrophobicContact CB-CD1 4.24Å; F89-F123 HydrophobicContact CD1-CD1 4.22Å; F89-F123 HydrophobicContact CD1-CE1 4.5Å; F89-F123 CarbonylContact O-C 3.09Å; F89-F123 WeakPolarHBondContact O-CA 3.39Å; V112-F123 HydrophobicContact CB-CD1 4.48Å; V112-F123 HydrophobicContact CB-CE1 4.24Å; V112-F123 HydrophobicContact CG1-CD1 4.49Å; V115-F123 HydrophobicContact CB-CE1 4.46Å; V115-F123 HydrophobicContact CG1-CE1 4.43Å; L116-F123 HydrophobicContact CB-CZ 4.21Å; L116-F123 HydrophobicContact CD1-CE2 4.15Å; L116-F123 HydrophobicContact CD1-CZ 4.07Å; F123-L160 HydrophobicContact CB-CD1 4.2Å; F123-L160 HydrophobicContact CD1-CD1 4.12Å; F123-L160 HydrophobicContact CD2-CD1 3.77Å; F123-L160 HydrophobicContact CD2-CD2 4.35Å; F123-L160 HydrophobicContact CE1-CD1 4.47Å; F123-L160 HydrophobicContact CE1-CD2 4.33Å; F123-L160 HydrophobicContact CE2-CD1 4.15Å; F123-L160 HydrophobicContact CE2-CD2 3.87Å; F123-L160 HydrophobicContact CG-CD1 3.76Å; F123-L160 HydrophobicContact CZ-CD1 4.48Å; F123-L160 HydrophobicContact CZ-CD2 3.86Å; F123-P163 HydrophobicContact CD2-CG 4.39Å; F123-V165 PolarHBondContact N-O 2.78Å; F123-V165 VanDerWaalsContact N-O 3.08Å; F123-F166 HydrophobicContact CB-CD2 3.77Å; F123-F166 HydrophobicContact CB-CE2 3.84Å; F123-F166 CarbonylContact O-C 3.32Å; F123-F166 VanDerWaalsContact O-CA 3.29Å; F123-F166 WeakPolarHBondContact O-CA 3.35Å; F123-L167 PolarHBondContact O-N 3.12Å
124A98.5Very high94.4Very high1 Ų146.9 Ų46.91%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-139.6141172.500000112.1L48 I88 F89 A90 I91 L126 L167L48-A124 HydrophobicContact CD1-CB 3.79Å; I88-A124 HydrophobicContact CG2-CB 4.33Å; F89-A124 PolarHBondContact O-N 2.7Å; A90-A124 WeakPolarHBondContact CA-O 3.22Å; A90-A124 HydrophobicContact CB-CB 3.84Å; I91-A124 PolarHBondContact N-O 3.37Å; A124-L126 HydrophobicContact CB-CD2 4.13Å; A124-L167 CarbonylContact C-O 3.21Å; A124-L167 VanDerWaalsContact CA-O 3.26Å; A124-L167 WeakPolarHBondContact CA-O 3.47Å; A124-L167 HydrophobicContact CB-CB 3.81Å; A124-L167 HydrophobicContact CB-CG 4.41Å
125L97.9Very high94.2Very high3 Ų347.9 Ų47.92%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-111.2122168.1-67.5178.1000109.4I91 L108 F127 A153 I156 F166 L167 C169I91-L125 HydrophobicContact CG2-CD2 3.55Å; L108-L125 HydrophobicContact CD2-CD2 4.09Å; L125-F127 HydrophobicContact CB-CE2 3.96Å; L125-F127 HydrophobicContact CB-CZ 4.49Å; L125-A153 HydrophobicContact CD1-CB 3.81Å; L125-I156 HydrophobicContact CD1-CB 4.13Å; L125-I156 HydrophobicContact CD1-CG1 4.39Å; L125-I156 HydrophobicContact CD1-CG2 4.32Å; L125-F166 HydrophobicContact CD1-CE1 4.04Å; L125-F166 HydrophobicContact CD1-CZ 3.69Å; L125-F166 HydrophobicContact CG-CE1 4.14Å; L125-F166 HydrophobicContact CG-CZ 3.75Å; L125-L167 PolarHBondContact N-O 3.24Å; L125-C169 PolarHBondContact O-N 2.72Å
126L97.7Very high94.1Very high1 Ų152.5 Ų52.51%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-108.1127.9-177.4-43.9-177.7000110.9A50 A90 I91 A124 D128 C169 I202 W232A50-L126 HydrophobicContact CB-CD1 3.77Å; A90-L126 HydrophobicContact CB-CD1 3.86Å; A90-L126 HydrophobicContact CB-CD2 4.45Å; A90-L126 HydrophobicContact CB-CG 4.07Å; I91-L126 PolarHBondContact O-N 2.9Å; A124-L126 HydrophobicContact CB-CD2 4.13Å; L126-D128 WeakPolarHBondContact CB-OD1 3.5Å; L126-C169 HydrophobicContact CB-CB 4.21Å; L126-C169 HydrophobicContact CD2-CB 3.64Å; L126-I202 HydrophobicContact CD2-CD1 3.94Å; L126-W232 HydrophobicContact CD1-CH2 4.22Å; L126-W232 HydrophobicContact CD1-CZ3 4.03Å; L126-W232 HydrophobicContact CD2-CZ3 4.32Å
127F96.9Very high94Very high0 Ų052 Ų520%026%0.262CS..  trans-120.531.6173.6-60.7-76.1000110.9P93 F99 L125 I130 H149 F152 F168 C169 T171P93-F127 HydrophobicContact CG-CE1 4.1Å; P93-F127 HydrophobicContact CG-CZ 4.29Å; F99-F127 HydrophobicContact CE1-CD1 4.45Å; F99-F127 AromaticContact CE1-CE1 3.61Å; F99-F127 HydrophobicContact CE1-CE1 3.61Å; F99-F127 HydrophobicContact CE1-CZ 4.13Å; F99-F127 HydrophobicContact CZ-CD1 4.3Å; F99-F127 AromaticContact CZ-CE1 3.86Å; F99-F127 HydrophobicContact CZ-CE1 3.86Å; L125-F127 HydrophobicContact CB-CE2 3.96Å; L125-F127 HydrophobicContact CB-CZ 4.49Å; F127-I130 HydrophobicContact CB-CD1 3.88Å; F127-I130 HydrophobicContact CD1-CD1 4.02Å; F127-I130 HydrophobicContact CG-CD1 4.48Å; F127-I130 WeakPolarHBondContact O-CG1 3.48Å; F127-H149 AromaticContact CD1-ND1 3.93Å; F127-H149 HydrophobicContact CD2-CB 4.2Å; F127-H149 HydrophobicContact CE2-CB 4.21Å; F127-H149 HydrophobicContact CG-CB 4.34Å; F127-H149 AromaticContact CG-ND1 3.75Å; F127-H149 HydrophobicContact CZ-CB 4.39Å; F127-F152 HydrophobicContact CZ-CD1 4.12Å; F127-F168 HydrophobicContact CD2-CD2 4.11Å; F127-F168 AromaticContact CD2-CE2 3.56Å; F127-F168 HydrophobicContact CD2-CE2 3.56Å; F127-F168 HydrophobicContact CD2-CZ 4.12Å; F127-F168 HydrophobicContact CE2-CD2 4.04Å; F127-F168 AromaticContact CE2-CE2 3.58Å; F127-F168 HydrophobicContact CE2-CE2 3.58Å; F127-C169 WeakPolarHBondContact CB-O 3.19Å; F127-C169 PolarHBondContact N-O 3.47Å; F127-T171 WeakPolarHBondContact O-CA 3.22Å; F127-T171 VanDerWaalsContact O-CB 3.31Å; F127-T171 WeakPolarHBondContact O-CB 3.34Å; F127-T171 PolarHBondContact O-OG1 2.68Å
128D94.8Very high94Very high7 Ų744.6 Ų44.64%0.03723%0.23CC..THydrogen-bonded Turntrans-78.3149176.160.4-29.9000112.6K52 R58 L126 I130 Y173K52-D128 WeakPolarHBondContact CE-OD2 3.4Å; K52-D128 IonicContact NZ-OD2 3.8Å; K52-D128 PolarHBondContact NZ-OD2 2.89Å; R58-D128 PolarHBondContact NH2-O 3.08Å; L126-D128 WeakPolarHBondContact CB-OD1 3.5Å; D128-I130 PolarHBondContact O-N 2.77Å; D128-Y173 HydrophobicContact CB-CD1 3.78Å; D128-Y173 HydrophobicContact CB-CE1 3.65Å
129D90.2Very high93.9Very high77 Ų7752 Ų5241%0.41226%0.257SS..THydrogen-bonded Turntrans52.526.7176.7-47-32.4000116.1Y23 Y173Y23-D129 PolarHBondContact OH-OD2 2.82Å; D129-Y173 WeakPolarHBondContact OD1-CE1 3.31Å; D129-Y173 PolarHBondContact OD1-OH 2.87Å
130I90Very high93.9Very high27 Ų2758.9 Ų58.914%0.13828%0.282CS..SBendtrans-103.1157.5170.268.7-177.6000111.1G94 F127 D128 T171G94-I130 WeakPolarHBondContact O-CG2 3.43Å; F127-I130 HydrophobicContact CB-CD1 3.88Å; F127-I130 HydrophobicContact CD1-CD1 4.02Å; F127-I130 HydrophobicContact CG-CD1 4.48Å; F127-I130 WeakPolarHBondContact O-CG1 3.48Å; D128-I130 PolarHBondContact O-N 2.77Å; I130-T171 HydrophobicContact CG1-CG2 3.87Å; I130-T171 WeakPolarHBondContact O-CG2 3.13Å
131K84.9Confident93.8Very high159 Ų15963.4 Ų63.469%0.69131%0.309SS*.  trans-84.1128.1171-71.1167.1-175.7162.30108R133K131-R133 HydrophobicContact CB-CG 4.2Å; K131-R133 PolarHBondContact O-N 2.78Å
132P82.9Confident93.8Very high74 Ų7457.9 Ų57.948%0.48129%0.289SS..  trans-73.968.2-175.330.3-36.6000111.9S145 T171P132-S145 PolarHBondContact O-OG 3.18Å; P132-T171 HydrophobicContact CB-CG2 4.38Å
133R85.8Confident93.6Very high194 Ų19464.8 Ų64.873%0.73233%0.326SS*.  trans-123.9127.6-172.7-68.5179.8172.9-166.5-3.4110.1K131K131-R133 HydrophobicContact CB-CG 4.2Å; K131-R133 PolarHBondContact O-N 2.78Å
134L92.1Very high93.5Very high16 Ų1666.2 Ų66.28%0.08434%0.336CS..  trans-84.9143.7172.1-67.2-173.5000111.7F99 D138 R139 F142 A148F99-L134 HydrophobicContact CD2-CD2 4.15Å; L134-D138 HydrophobicContact CB-CB 3.85Å; L134-D138 HydrophobicContact CD1-CB 4.22Å; L134-D138 HydrophobicContact CD2-CB 3.9Å; L134-D138 HydrophobicContact CG-CB 4.19Å; L134-R139 HydrophobicContact CB-CG 3.66Å; L134-R139 HydrophobicContact CD1-CG 4.35Å; L134-R139 VanDerWaalsContact O-CZ 3.3Å; L134-R139 PolarHBondContact O-NE 3.32Å; L134-R139 PolarHBondContact O-NH2 3.03Å; L134-F142 HydrophobicContact CD1-CB 3.9Å; L134-A148 HydrophobicContact CD2-CB 3.75Å
135C92.6Very high93.3Very high37 Ų3767 Ų6725%0.2534%0.342CS..  trans-66.6170.3166.587.70000110.4A137 D138 R139C135-A137 PolarHBondContact O-N 3.23Å; C135-D138 PolarHBondContact O-N 3.46Å; C135-D138 VanDerWaalsContact SG-CG 3.54Å; C135-D138 PolarHBondContact SG-N 2.96Å; C135-D138 VanDerWaalsContact SG-N 3.44Å; C135-D138 PolarHBondContact SG-OD2 3.05Å; C135-R139 WeakPolarHBondContact O-CG 3.35Å; C135-R139 PolarHBondContact O-N 2.73Å
136P94.6Very high93.2Very high98 Ų9867 Ų6764%0.63634%0.342SS*.Hα-helixtrans-56.2-48.9-179.8-26.636.2000113.7D138 R139P136-D138 VanDerWaalsContact C-N 3.33Å; P136-D138 PolarHBondContact O-N 2.9Å; P136-R139 PolarHBondContact O-N 3.42Å
137A95.3Very high93.2Very high45 Ų4571 Ų7137%0.37236%0.357SS..Hα-helixtrans-62.5-38.8-179.900000112.4T98 C135 R139 E140T98-A137 HydrophobicContact CG2-CB 4.42Å; C135-A137 PolarHBondContact O-N 3.23Å; A137-R139 VanDerWaalsContact C-N 3.26Å; A137-R139 PolarHBondContact O-N 2.82Å; A137-E140 WeakPolarHBondContact O-CB 3.37Å; A137-E140 PolarHBondContact O-N 3.43Å; A137-E140 VanDerWaalsContact O-N 3.12Å
138D96.6Very high93.2Very high1 Ų171 Ų711%0.00536%0.357CS..Hα-helixtrans-66-28.2178.7-71.4-19000113T98 F99 S100 L134 C135 P136 E140 V141 F142T98-D138 WeakPolarHBondContact CA-OD2 3.35Å; T98-D138 WeakPolarHBondContact CG2-OD1 3.4Å; F99-D138 VanDerWaalsContact N-CG 3.34Å; F99-D138 PolarHBondContact N-OD1 3.22Å; F99-D138 PolarHBondContact N-OD2 2.95Å; S100-D138 WeakPolarHBondContact CB-OD1 3.38Å; S100-D138 PolarHBondContact N-OD1 2.8Å; S100-D138 PolarHBondContact OG-OD1 3.49Å; L134-D138 HydrophobicContact CB-CB 3.85Å; L134-D138 HydrophobicContact CD1-CB 4.22Å; L134-D138 HydrophobicContact CD2-CB 3.9Å; L134-D138 HydrophobicContact CG-CB 4.19Å; C135-D138 PolarHBondContact O-N 3.46Å; C135-D138 VanDerWaalsContact SG-CG 3.54Å; C135-D138 PolarHBondContact SG-N 2.96Å; C135-D138 VanDerWaalsContact SG-N 3.44Å; C135-D138 PolarHBondContact SG-OD2 3.05Å; P136-D138 VanDerWaalsContact C-N 3.33Å; P136-D138 PolarHBondContact O-N 2.9Å; D138-E140 VanDerWaalsContact C-N 3.29Å; D138-E140 PolarHBondContact O-N 2.93Å; D138-V141 PolarHBondContact O-N 3.49Å; D138-F142 HydrophobicContact CB-CD2 4.32Å; D138-F142 WeakPolarHBondContact O-CB 3.5Å; D138-F142 PolarHBondContact O-N 3.12Å
139R95.1Very high93.3Very high170 Ų17070.8 Ų70.864%0.64236%0.356SS*.Hα-helixtrans-74-19.3175.6-63.9173.7-150.5179.27.6113.4L134 C135 P136 A137 V141L134-R139 HydrophobicContact CB-CG 3.66Å; L134-R139 HydrophobicContact CD1-CG 4.35Å; L134-R139 VanDerWaalsContact O-CZ 3.3Å; L134-R139 PolarHBondContact O-NE 3.32Å; L134-R139 PolarHBondContact O-NH2 3.03Å; C135-R139 WeakPolarHBondContact O-CG 3.35Å; C135-R139 PolarHBondContact O-N 2.73Å; P136-R139 PolarHBondContact O-N 3.42Å; A137-R139 VanDerWaalsContact C-N 3.26Å; A137-R139 PolarHBondContact O-N 2.82Å; R139-V141 VanDerWaalsContact C-N 3.3Å
140E95.8Very high93.6Very high173 Ų17367.1 Ų67.181%0.80834%0.336SS*.Hα-helixtrans-78-19.8174.5-63.3-179.7-177.400111.6A137 D138A137-E140 WeakPolarHBondContact O-CB 3.37Å; A137-E140 PolarHBondContact O-N 3.43Å; A137-E140 VanDerWaalsContact O-N 3.12Å; D138-E140 VanDerWaalsContact C-N 3.29Å; D138-E140 PolarHBondContact O-N 2.93Å
141V96.4Very high94Very high97 Ų9769.1 Ų69.159%0.58835%0.345SS*.Hα-helixtrans-111.3-36.1-176.2-179.80000113D138 R139D138-V141 PolarHBondContact O-N 3.49Å; R139-V141 VanDerWaalsContact C-N 3.3Å
142F96.1Very high94.5Very high30 Ų3061.8 Ų61.813%0.13231%0.314CS..  trans-119.4131.3-176-54.3-70.2000112F99 L134 D138 S144 R147 A148 M151F99-F142 HydrophobicContact CB-CD2 4.34Å; F99-F142 HydrophobicContact CB-CE2 3.71Å; F99-F142 HydrophobicContact CB-CZ 4.44Å; L134-F142 HydrophobicContact CD1-CB 3.9Å; D138-F142 HydrophobicContact CB-CD2 4.32Å; D138-F142 WeakPolarHBondContact O-CB 3.5Å; D138-F142 PolarHBondContact O-N 3.12Å; F142-S144 VanDerWaalsContact C-N 3.28Å; F142-S144 PolarHBondContact O-N 3.18Å; F142-R147 HydrophobicContact CD1-CG 4.17Å; F142-A148 HydrophobicContact CB-CB 4.01Å; F142-A148 HydrophobicContact CD1-CB 4.19Å; F142-A148 HydrophobicContact CD2-CB 3.49Å; F142-A148 VanDerWaalsContact CD2-CB 3.49Å; F142-A148 HydrophobicContact CE2-CB 3.91Å; F142-A148 HydrophobicContact CG-CB 3.64Å; F142-A148 HydrophobicContact CZ-CB 4.42Å; F142-M151 HydrophobicContact CE1-CB 4.01Å; F142-M151 HydrophobicContact CE1-CG 4.22Å
143N93.6Very high95.2Very high147 Ų14758.3 Ų58.379%0.78629%0.291SS*.SBendtrans-72.3-18176.264.8-20.1000113.8R147N143-R147 WeakPolarHBondContact OD1-CB 3.38Å
144S95Very high95.8Very high34 Ų3449.8 Ų49.824%0.23826%0.26CS..SBendtrans-154.3155.8-179.169.60000111.6F142 A146 R147 A148F142-S144 VanDerWaalsContact C-N 3.28Å; F142-S144 PolarHBondContact O-N 3.18Å; S144-A146 VanDerWaalsContact C-N 3.3Å; S144-A146 PolarHBondContact O-N 3.42Å; S144-R147 PolarHBondContact O-N 3.29Å; S144-R147 WeakPolarHBondContact OG-CB 3.29Å; S144-R147 PolarHBondContact OG-N 3.4Å; S144-R147 VanDerWaalsContact OG-N 3.07Å; S144-A148 PolarHBondContact O-N 2.77Å; S144-A148 VanDerWaalsContact O-N 3.15Å
145S95.2Very high96.1Very high18 Ų1852.9 Ų52.913%0.12627%0.274CS..Hα-helixtrans-58.7-41.917141.90000111.8P132 R147 A148 H149P132-S145 PolarHBondContact O-OG 3.18Å; S145-R147 VanDerWaalsContact C-N 3.32Å; S145-R147 PolarHBondContact O-N 3.5Å; S145-A148 WeakPolarHBondContact O-CB 3.42Å; S145-A148 PolarHBondContact O-N 2.61Å; S145-A148 VanDerWaalsContact O-N 3.11Å; S145-H149 PolarHBondContact O-CD2 2.72Å; S145-H149 VanDerWaalsContact O-CG 3.22Å; S145-H149 PolarHBondContact O-N 3.44Å
146A96.2Very high96.3Very high1 Ų151.2 Ų51.21%0.00826%0.262CS..Hα-helixtrans-55.6-44.8174.800000112.4S144 A148 H149 V150 Y187 T190S144-A146 VanDerWaalsContact C-N 3.3Å; S144-A146 PolarHBondContact O-N 3.42Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 3.35Å; A146-H149 PolarHBondContact O-N 3.4Å; A146-V150 VanDerWaalsContact O-CB 3.28Å; A146-V150 WeakPolarHBondContact O-CB 3.44Å; A146-V150 WeakPolarHBondContact O-CG2 3.42Å; A146-V150 PolarHBondContact O-N 3.3Å; A146-Y187 HydrophobicContact CB-CD1 4.24Å; A146-Y187 HydrophobicContact CB-CD2 3.55Å; A146-Y187 HydrophobicContact CB-CE2 3.89Å; A146-Y187 HydrophobicContact CB-CG 3.72Å; A146-T190 HydrophobicContact CB-CG2 3.83Å
147R97.1Very high96.5Very high86 Ų8647.2 Ų47.233%0.32524%0.235SC..Hα-helixtrans-64.9-38.1177.9-175.863.2179.5160.38.4111.8F142 N143 S144 S145 M151 T190 C194F142-R147 HydrophobicContact CD1-CG 4.17Å; N143-R147 WeakPolarHBondContact OD1-CB 3.38Å; S144-R147 PolarHBondContact O-N 3.29Å; S144-R147 WeakPolarHBondContact OG-CB 3.29Å; S144-R147 PolarHBondContact OG-N 3.4Å; S144-R147 VanDerWaalsContact OG-N 3.07Å; S145-R147 VanDerWaalsContact C-N 3.32Å; S145-R147 PolarHBondContact O-N 3.5Å; R147-M151 PolarHBondContact NH2-SD 3.04Å; R147-M151 VanDerWaalsContact O-CB 3.31Å; R147-M151 WeakPolarHBondContact O-CB 3.48Å; R147-M151 VanDerWaalsContact O-CG 3.24Å; R147-M151 WeakPolarHBondContact O-CG 3.38Å; R147-M151 PolarHBondContact O-N 2.97Å; R147-T190 HydrophobicContact CB-CG2 4.11Å; R147-C194 PolarHBondContact NH1-SG 3.48Å
148A97.2Very high96.6Very high0 Ų049 Ų490%024%0.238CC..Hα-helixtrans-65.3-52.4175.300000112F99 L134 F142 S144 S145 A146 V150 M151 F152F99-A148 HydrophobicContact CB-CB 3.86Å; F99-A148 HydrophobicContact CD1-CB 4.37Å; F99-A148 HydrophobicContact CD2-CB 3.97Å; F99-A148 HydrophobicContact CG-CB 3.82Å; L134-A148 HydrophobicContact CD2-CB 3.75Å; F142-A148 HydrophobicContact CB-CB 4.01Å; F142-A148 HydrophobicContact CD1-CB 4.19Å; F142-A148 HydrophobicContact CD2-CB 3.49Å; F142-A148 VanDerWaalsContact CD2-CB 3.49Å; F142-A148 HydrophobicContact CE2-CB 3.91Å; F142-A148 HydrophobicContact CG-CB 3.64Å; F142-A148 HydrophobicContact CZ-CB 4.42Å; S144-A148 PolarHBondContact O-N 2.77Å; S144-A148 VanDerWaalsContact O-N 3.15Å; S145-A148 WeakPolarHBondContact O-CB 3.42Å; S145-A148 PolarHBondContact O-N 2.61Å; S145-A148 VanDerWaalsContact O-N 3.11Å; A146-A148 VanDerWaalsContact C-N 3.34Å; A146-A148 PolarHBondContact O-N 3.35Å; A148-V150 VanDerWaalsContact C-N 3.32Å; A148-V150 PolarHBondContact O-N 3.1Å; A148-M151 PolarHBondContact O-N 2.8Å; A148-F152 VanDerWaalsContact O-CB 3.22Å; A148-F152 WeakPolarHBondContact O-CB 3.36Å; A148-F152 PolarHBondContact O-N 3.23Å
149H97Very high96.6Very high3 Ų352.3 Ų52.31%0.01425%0.253CS..Hα-helixtrans-58.9-43.5-179.1-61.3-172.9000111.2F99 F127 S145 A146 A153 F168 T171 Y187F99-H149 AromaticContact CE1-CD2 3.69Å; F99-H149 AromaticContact CE2-CD2 3.63Å; F99-H149 AromaticContact CE2-NE2 3.82Å; F99-H149 AromaticContact CZ-CD2 3.19Å; F99-H149 WeakPolarHBondContact CZ-CD2 3.29Å; F99-H149 AromaticContact CZ-NE2 3.6Å; F127-H149 AromaticContact CD1-ND1 3.93Å; F127-H149 HydrophobicContact CD2-CB 4.2Å; F127-H149 HydrophobicContact CE2-CB 4.21Å; F127-H149 HydrophobicContact CG-CB 4.34Å; F127-H149 AromaticContact CG-ND1 3.75Å; F127-H149 HydrophobicContact CZ-CB 4.39Å; S145-H149 PolarHBondContact O-CD2 2.72Å; S145-H149 VanDerWaalsContact O-CG 3.22Å; S145-H149 PolarHBondContact O-N 3.44Å; A146-H149 PolarHBondContact O-N 3.4Å; H149-A153 WeakPolarHBondContact O-CB 3.36Å; H149-A153 PolarHBondContact O-N 2.93Å; H149-F168 HydrophobicContact CB-CE2 4.25Å; H149-F168 HydrophobicContact CB-CZ 4.14Å; H149-T171 PolarHBondContact CE1-OG1 3.13Å; H149-Y187 AromaticContact ND1-CE2 3.88Å; H149-Y187 AromaticContact ND1-CZ 3.82Å; H149-Y187 PolarHBondContact ND1-OH 3.25Å
150V97.4Very high96.7Very high0 Ų045.1 Ų45.10%023%0.227CC..Hα-helixtrans-71.2-44.3-178.6171.10000112.2A146 A148 F152 A153 N154 F168 V191 C194 L195A146-V150 VanDerWaalsContact O-CB 3.28Å; A146-V150 WeakPolarHBondContact O-CB 3.44Å; A146-V150 WeakPolarHBondContact O-CG2 3.42Å; A146-V150 PolarHBondContact O-N 3.3Å; A148-V150 VanDerWaalsContact C-N 3.32Å; A148-V150 PolarHBondContact O-N 3.1Å; V150-F152 VanDerWaalsContact C-N 3.31Å; V150-F152 PolarHBondContact O-N 2.76Å; V150-A153 PolarHBondContact O-N 3.06Å; V150-N154 WeakPolarHBondContact O-CB 3.43Å; V150-N154 PolarHBondContact O-N 3.33Å; V150-N154 PolarHBondContact O-OD1 3.2Å; V150-F168 HydrophobicContact CG2-CZ 4.02Å; V150-V191 HydrophobicContact CG2-CB 4.39Å; V150-V191 HydrophobicContact CG2-CG2 3.91Å; V150-C194 HydrophobicContact CG1-CB 3.68Å; V150-C194 WeakPolarHBondContact CG1-O 2.97Å; V150-L195 HydrophobicContact CG1-CB 3.95Å; V150-L195 HydrophobicContact CG1-CD1 4.15Å
151M96.8Very high96.8Very high68 Ų6839.8 Ų39.834%0.33522%0.219SC..Hα-helixtrans-62.8-40.4176.3-75.9-59.6-54.600111.7F142 R147 A148 N154 E155F142-M151 HydrophobicContact CE1-CB 4.01Å; F142-M151 HydrophobicContact CE1-CG 4.22Å; R147-M151 PolarHBondContact NH2-SD 3.04Å; R147-M151 VanDerWaalsContact O-CB 3.31Å; R147-M151 WeakPolarHBondContact O-CB 3.48Å; R147-M151 VanDerWaalsContact O-CG 3.24Å; R147-M151 WeakPolarHBondContact O-CG 3.38Å; R147-M151 PolarHBondContact O-N 2.97Å; A148-M151 PolarHBondContact O-N 2.8Å; M151-N154 PolarHBondContact O-N 3.34Å; M151-E155 WeakPolarHBondContact O-CB 3.23Å; M151-E155 PolarHBondContact O-N 3.3Å
152F96.6Very high96.8Very high6 Ų638.1 Ų38.13%0.02621%0.211CC..Hα-helixtrans-64.9-40.6175.2-172.6-93000111.9P93 V97 F99 V105 L108 F127 A148 V150 E155 I156P93-F152 HydrophobicContact CG-CE1 4.01Å; V97-F152 HydrophobicContact CG2-CE2 4.08Å; V97-F152 HydrophobicContact CG2-CZ 4.03Å; F99-F152 HydrophobicContact CD1-CB 3.8Å; F99-F152 HydrophobicContact CD1-CD1 4.28Å; F99-F152 AromaticContact CD1-CD2 3.91Å; F99-F152 HydrophobicContact CD1-CD2 3.91Å; F99-F152 AromaticContact CD1-CG 3.77Å; F99-F152 HydrophobicContact CD1-CG 3.77Å; F99-F152 HydrophobicContact CE1-CB 4.39Å; F99-F152 HydrophobicContact CE1-CD1 4.35Å; F99-F152 HydrophobicContact CE1-CG 4.28Å; V105-F152 HydrophobicContact CG2-CD2 3.88Å; V105-F152 HydrophobicContact CG2-CE2 3.8Å; L108-F152 HydrophobicContact CB-CZ 4.38Å; L108-F152 HydrophobicContact CD2-CD1 4.42Å; L108-F152 HydrophobicContact CD2-CE1 3.27Å; L108-F152 HydrophobicContact CD2-CZ 3.42Å; L108-F152 VanDerWaalsContact CD2-CZ 3.42Å; F127-F152 HydrophobicContact CZ-CD1 4.12Å; A148-F152 VanDerWaalsContact O-CB 3.22Å; A148-F152 WeakPolarHBondContact O-CB 3.36Å; A148-F152 PolarHBondContact O-N 3.23Å; V150-F152 VanDerWaalsContact C-N 3.31Å; V150-F152 PolarHBondContact O-N 2.76Å; F152-E155 PolarHBondContact O-N 3.48Å; F152-I156 WeakPolarHBondContact O-CG1 3.44Å; F152-I156 PolarHBondContact O-N 3.47Å; F152-I156 VanDerWaalsContact O-N 3.16Å
153A97.6Very high96.7Very high0 Ų037.6 Ų37.60%021%0.21CC..Hα-helixtrans-65.9-43.6175.600000113.1L125 H149 V150 E155 I156 Y157 F168 L195L125-A153 HydrophobicContact CD1-CB 3.81Å; H149-A153 WeakPolarHBondContact O-CB 3.36Å; H149-A153 PolarHBondContact O-N 2.93Å; V150-A153 PolarHBondContact O-N 3.06Å; A153-E155 VanDerWaalsContact C-N 3.32Å; A153-E155 PolarHBondContact O-N 2.87Å; A153-I156 PolarHBondContact O-N 2.88Å; A153-Y157 WeakPolarHBondContact O-CB 3.44Å; A153-Y157 PolarHBondContact O-N 3.46Å; A153-F168 HydrophobicContact CB-CD2 3.67Å; A153-F168 HydrophobicContact CB-CE2 3.87Å; A153-L195 HydrophobicContact CB-CD1 4.23Å
154N98Very high96.7Very high16 Ų1636.4 Ų36.49%0.08620%0.204CC..Hα-helixtrans-61.2-40.8175.5-67.7-9.8000111.7V150 M151 Y157 N158 C194 T196V150-N154 WeakPolarHBondContact O-CB 3.43Å; V150-N154 PolarHBondContact O-N 3.33Å; V150-N154 PolarHBondContact O-OD1 3.2Å; M151-N154 PolarHBondContact O-N 3.34Å; N154-Y157 PolarHBondContact O-N 3Å; N154-N158 WeakPolarHBondContact O-CB 3.32Å; N154-N158 PolarHBondContact O-N 2.71Å; N154-N158 PolarHBondContact O-ND2 3.04Å; N154-C194 PolarHBondContact ND2-O 3.22Å; N154-T196 VanDerWaalsContact CG-OG1 3.29Å; N154-T196 PolarHBondContact OD1-N 3.27Å; N154-T196 PolarHBondContact OD1-OG1 2.89Å
155E97.4Very high96.8Very high81 Ų8136.1 Ų36.138%0.37920%0.201SC..Hα-helixtrans-63-42.7178.5-178.263-166.300112.1V105 K109 M151 F152 A153 H159V105-E155 HydrophobicContact CG1-CG 3.86Å; K109-E155 WeakPolarHBondContact CE-OE1 3.28Å; K109-E155 IonicContact NZ-OE1 3.42Å; K109-E155 PolarHBondContact NZ-OE1 2.95Å; M151-E155 WeakPolarHBondContact O-CB 3.23Å; M151-E155 PolarHBondContact O-N 3.3Å; F152-E155 PolarHBondContact O-N 3.48Å; A153-E155 VanDerWaalsContact C-N 3.32Å; A153-E155 PolarHBondContact O-N 2.87Å; E155-H159 VanDerWaalsContact O-CB 3.3Å; E155-H159 WeakPolarHBondContact O-CB 3.37Å; E155-H159 PolarHBondContact O-N 3.03Å
156I97.6Very high97Very high1 Ų135.3 Ų35.31%0.00520%0.195CC..Hα-helixtrans-70.7-40.1176.2-62.8-64000111.7L108 K109 V112 L125 F152 A153 H159 L160 F166L108-I156 HydrophobicContact CB-CD1 4.16Å; L108-I156 HydrophobicContact CD2-CD1 3.97Å; L108-I156 HydrophobicContact CD2-CG1 3.98Å; L108-I156 HydrophobicContact CG-CD1 4Å; L108-I156 HydrophobicContact CG-CG1 4.5Å; K109-I156 HydrophobicContact CG-CD1 3.8Å; V112-I156 HydrophobicContact CG1-CG2 4.45Å; V112-I156 HydrophobicContact CG2-CG2 4.38Å; L125-I156 HydrophobicContact CD1-CB 4.13Å; L125-I156 HydrophobicContact CD1-CG1 4.39Å; L125-I156 HydrophobicContact CD1-CG2 4.32Å; F152-I156 WeakPolarHBondContact O-CG1 3.44Å; F152-I156 PolarHBondContact O-N 3.47Å; F152-I156 VanDerWaalsContact O-N 3.16Å; A153-I156 PolarHBondContact O-N 2.88Å; I156-H159 PolarHBondContact O-N 3.38Å; I156-L160 HydrophobicContact CG2-CD1 3.93Å; I156-L160 WeakPolarHBondContact O-CB 3.44Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 2.76Å; I156-F166 HydrophobicContact CB-CZ 4.5Å; I156-F166 HydrophobicContact CG2-CE2 4.19Å; I156-F166 HydrophobicContact CG2-CZ 4.1Å
157Y98Very high97.1Very high15 Ų1535.4 Ų35.46%0.05920%0.195CC..Hα-helixtrans-60.1-45.8174.9176.8-103.3000112.3A153 N154 L160 G161 C162 P163 F166 T196 I199A153-Y157 WeakPolarHBondContact O-CB 3.44Å; A153-Y157 PolarHBondContact O-N 3.46Å; N154-Y157 PolarHBondContact O-N 3Å; Y157-L160 PolarHBondContact O-N 3Å; Y157-G161 PolarHBondContact O-N 3.04Å; Y157-C162 HydrophobicContact CD1-CB 4.33Å; Y157-C162 HydrophobicContact CE1-CB 3.59Å; Y157-C162 VanDerWaalsContact CE1-SG 3.52Å; Y157-C162 HydrophobicContact CE2-CB 4.43Å; Y157-C162 PolarHBondContact O-N 2.87Å; Y157-P163 HydrophobicContact CD2-CG 4.32Å; Y157-P163 HydrophobicContact CE2-CG 4.35Å; Y157-P163 WeakPolarHBondContact CE2-O 3.41Å; Y157-F166 HydrophobicContact CD2-CB 3.47Å; Y157-F166 VanDerWaalsContact CD2-CB 3.47Å; Y157-F166 HydrophobicContact CD2-CD1 4.06Å; Y157-F166 AromaticContact CD2-CD2 3.83Å; Y157-F166 HydrophobicContact CD2-CD2 3.83Å; Y157-F166 AromaticContact CD2-CG 3.53Å; Y157-F166 HydrophobicContact CD2-CG 3.53Å; Y157-F166 HydrophobicContact CE2-CB 3.68Å; Y157-F166 HydrophobicContact CE2-CG 4.27Å; Y157-F166 HydrophobicContact CG-CG 4.45Å; Y157-T196 HydrophobicContact CD1-CG2 3.89Å; Y157-T196 HydrophobicContact CE1-CG2 3.59Å; Y157-I199 HydrophobicContact CD1-CD1 4.28Å; Y157-I199 HydrophobicContact CD1-CG1 4.22Å; Y157-I199 HydrophobicContact CD2-CD1 4.24Å; Y157-I199 HydrophobicContact CD2-CG1 3.71Å; Y157-I199 HydrophobicContact CE1-CG1 4.49Å; Y157-I199 HydrophobicContact CE2-CG1 3.99Å; Y157-I199 HydrophobicContact CG-CD1 3.87Å; Y157-I199 HydrophobicContact CG-CG1 3.81Å
158N97.6Very high97.2Very high82 Ų8231.3 Ų31.344%0.43918%0.18SC..Hα-helixtrans-65.8-42177.1-68.2-20.2000111.5N154 L160 G161N154-N158 WeakPolarHBondContact O-CB 3.32Å; N154-N158 PolarHBondContact O-N 2.71Å; N154-N158 PolarHBondContact O-ND2 3.04Å; N158-L160 VanDerWaalsContact C-N 3.32Å; N158-L160 PolarHBondContact O-N 3.46Å; N158-G161 PolarHBondContact O-N 3.25Å
159H97.5Very high97.2Very high71 Ų7131.4 Ų31.433%0.32918%0.181SC..Hα-helixtrans-60.8-39.4176.5176.990.9000112.5K109 D113 E155 I156 G161K109-H159 HydrophobicContact CD-CB 4.42Å; K109-H159 WeakPolarHBondContact CD-ND1 3.48Å; K109-H159 HydrophobicContact CG-CB 4.3Å; D113-H159 VanDerWaalsContact CG-NE2 3.35Å; D113-H159 IonicContact OD1-CD2 3.7Å; D113-H159 IonicContact OD1-CE1 3.98Å; D113-H159 IonicContact OD1-NE2 3.9Å; D113-H159 PolarHBondContact OD1-NE2 2.87Å; D113-H159 IonicContact OD2-CE1 2.82Å; D113-H159 IonicContact OD2-NE2 2.7Å; D113-H159 PolarHBondContact OD2-NE2 2.81Å; E155-H159 VanDerWaalsContact O-CB 3.3Å; E155-H159 WeakPolarHBondContact O-CB 3.37Å; E155-H159 PolarHBondContact O-N 3.03Å; I156-H159 PolarHBondContact O-N 3.38Å; H159-G161 PolarHBondContact O-N 3.03Å
160L97Very high97.3Very high18 Ų1831.3 Ų31.39%0.09418%0.18CC..THydrogen-bonded Turntrans-74.33.8175.2-74.7165.7000114.2V112 L116 F123 I156 Y157 N158 P163 F166V112-L160 HydrophobicContact CB-CD1 4.2Å; V112-L160 HydrophobicContact CB-CD2 4.05Å; V112-L160 HydrophobicContact CB-CG 4.46Å; V112-L160 HydrophobicContact CG2-CD1 4.05Å; V112-L160 HydrophobicContact CG2-CD2 3.8Å; V112-L160 HydrophobicContact CG2-CG 3.95Å; L116-L160 HydrophobicContact CD1-CD2 4.4Å; L116-L160 HydrophobicContact CD2-CD2 4.24Å; F123-L160 HydrophobicContact CB-CD1 4.2Å; F123-L160 HydrophobicContact CD1-CD1 4.12Å; F123-L160 HydrophobicContact CD2-CD1 3.77Å; F123-L160 HydrophobicContact CD2-CD2 4.35Å; F123-L160 HydrophobicContact CE1-CD1 4.47Å; F123-L160 HydrophobicContact CE1-CD2 4.33Å; F123-L160 HydrophobicContact CE2-CD1 4.15Å; F123-L160 HydrophobicContact CE2-CD2 3.87Å; F123-L160 HydrophobicContact CG-CD1 3.76Å; F123-L160 HydrophobicContact CZ-CD1 4.48Å; F123-L160 HydrophobicContact CZ-CD2 3.86Å; I156-L160 HydrophobicContact CG2-CD1 3.93Å; I156-L160 WeakPolarHBondContact O-CB 3.44Å; I156-L160 WeakPolarHBondContact O-CG 3.28Å; I156-L160 PolarHBondContact O-N 2.76Å; Y157-L160 PolarHBondContact O-N 3Å; N158-L160 VanDerWaalsContact C-N 3.32Å; N158-L160 PolarHBondContact O-N 3.46Å; L160-P163 HydrophobicContact CB-CG 4.17Å; L160-F166 HydrophobicContact CD1-CD2 4.44Å; L160-F166 HydrophobicContact CD1-CE2 3.89Å
161G96.7Very high97.2Very high61 Ų6132.2 Ų32.263%0.62919%0.186SC*.THydrogen-bonded Turntrans79.126.4177.600000114.4Y157 N158 H159Y157-G161 PolarHBondContact O-N 3.04Å; N158-G161 PolarHBondContact O-N 3.25Å; H159-G161 PolarHBondContact O-N 3.03Å
162C96.2Very high97Very high63 Ų6329.3 Ų29.343%0.42617%0.174SC..  trans58.558.5-179.9-58.20000113.9Y157Y157-C162 HydrophobicContact CD1-CB 4.33Å; Y157-C162 HydrophobicContact CE1-CB 3.59Å; Y157-C162 VanDerWaalsContact CE1-SG 3.52Å; Y157-C162 HydrophobicContact CE2-CB 4.43Å; Y157-C162 PolarHBondContact O-N 2.87Å
163P95.7Very high97Very high18 Ų1830 Ų3012%0.11718%0.176CC..  trans-62149.5-175.426.3-35.4000113.3R121 F123 Y157 L160 V165 F166R121-P163 WeakPolarHBondContact O-CB 3.31Å; F123-P163 HydrophobicContact CD2-CG 4.39Å; Y157-P163 HydrophobicContact CD2-CG 4.32Å; Y157-P163 HydrophobicContact CE2-CG 4.35Å; Y157-P163 WeakPolarHBondContact CE2-O 3.41Å; L160-P163 HydrophobicContact CB-CG 4.17Å; P163-V165 PolarHBondContact O-N 2.86Å; P163-V165 VanDerWaalsContact O-N 3.17Å; P163-F166 HydrophobicContact CG-CB 4.41Å; P163-F166 HydrophobicContact CG-CD2 4.09Å
164D93.7Very high97Very high122 Ų12230 Ų3065%0.65218%0.176SC*.SBendtrans-60.3-29.2-175.1-79.8-59.8000114.8K12K12-D164 PolarHBondContact NZ-O 3.3Å; K12-D164 IonicContact NZ-OD1 2.62Å
165V97.2Very high96.9Very high28 Ų2833.3 Ų33.317%0.1719%0.191CC..  trans-123.8104.5174.4177.40000109L15 L86 I88 A122 F123 P163 L167L15-V165 HydrophobicContact CD1-CG1 3.9Å; L15-V165 HydrophobicContact CD2-CG2 4.37Å; L86-V165 HydrophobicContact CD2-CB 4.12Å; L86-V165 HydrophobicContact CD2-CG1 4.29Å; L86-V165 HydrophobicContact CD2-CG2 3.79Å; I88-V165 HydrophobicContact CD1-CG1 3.94Å; I88-V165 HydrophobicContact CG1-CG1 4.38Å; A122-V165 VanDerWaalsContact CA-O 3.28Å; A122-V165 WeakPolarHBondContact CA-O 3.16Å; A122-V165 HydrophobicContact CB-CB 3.77Å; A122-V165 HydrophobicContact CB-CG1 3.96Å; F123-V165 PolarHBondContact N-O 2.78Å; F123-V165 VanDerWaalsContact N-O 3.08Å; P163-V165 PolarHBondContact O-N 2.86Å; P163-V165 VanDerWaalsContact O-N 3.17Å; V165-L167 HydrophobicContact CG1-CD2 4.05Å; V165-L167 HydrophobicContact CG1-CG 4.39Å
166F98.3Very high96.8Very high2 Ų232.7 Ų32.71%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-128.1126.1168.2-162.7-86.8000109.2F123 L125 I156 Y157 L160 P163 I199 A200F123-F166 HydrophobicContact CB-CD2 3.77Å; F123-F166 HydrophobicContact CB-CE2 3.84Å; F123-F166 CarbonylContact O-C 3.32Å; F123-F166 VanDerWaalsContact O-CA 3.29Å; F123-F166 WeakPolarHBondContact O-CA 3.35Å; L125-F166 HydrophobicContact CD1-CE1 4.04Å; L125-F166 HydrophobicContact CD1-CZ 3.69Å; L125-F166 HydrophobicContact CG-CE1 4.14Å; L125-F166 HydrophobicContact CG-CZ 3.75Å; I156-F166 HydrophobicContact CB-CZ 4.5Å; I156-F166 HydrophobicContact CG2-CE2 4.19Å; I156-F166 HydrophobicContact CG2-CZ 4.1Å; Y157-F166 HydrophobicContact CD2-CB 3.47Å; Y157-F166 VanDerWaalsContact CD2-CB 3.47Å; Y157-F166 HydrophobicContact CD2-CD1 4.06Å; Y157-F166 AromaticContact CD2-CD2 3.83Å; Y157-F166 HydrophobicContact CD2-CD2 3.83Å; Y157-F166 AromaticContact CD2-CG 3.53Å; Y157-F166 HydrophobicContact CD2-CG 3.53Å; Y157-F166 HydrophobicContact CE2-CB 3.68Å; Y157-F166 HydrophobicContact CE2-CG 4.27Å; Y157-F166 HydrophobicContact CG-CG 4.45Å; L160-F166 HydrophobicContact CD1-CD2 4.44Å; L160-F166 HydrophobicContact CD1-CE2 3.89Å; P163-F166 HydrophobicContact CG-CB 4.41Å; P163-F166 HydrophobicContact CG-CD2 4.09Å; F166-I199 HydrophobicContact CB-CG1 4.36Å; F166-I199 HydrophobicContact CD1-CB 4.42Å; F166-I199 HydrophobicContact CD1-CD1 4.08Å; F166-I199 HydrophobicContact CD1-CG1 3.84Å; F166-I199 HydrophobicContact CD1-CG2 3.87Å; F166-I199 HydrophobicContact CE1-CD1 4.34Å; F166-I199 HydrophobicContact CG-CG1 4.42Å; F166-A200 PolarHBondContact O-N 2.95Å
167L98.5Very high96.7Very high2 Ų235.8 Ų35.81%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-110.5142.4-177.3-46.3-176.9000111.3L15 L48 I88 F123 A124 L125 V165 A200 I202 V230 L267L15-L167 HydrophobicContact CD1-CD2 4.5Å; L48-L167 HydrophobicContact CD1-CD1 4.36Å; L48-L167 HydrophobicContact CD2-CD1 4.23Å; I88-L167 HydrophobicContact CD1-CD1 4.1Å; I88-L167 HydrophobicContact CG2-CD1 4.23Å; I88-L167 HydrophobicContact CG2-CG 4.44Å; F123-L167 PolarHBondContact O-N 3.12Å; A124-L167 CarbonylContact C-O 3.21Å; A124-L167 VanDerWaalsContact CA-O 3.26Å; A124-L167 WeakPolarHBondContact CA-O 3.47Å; A124-L167 HydrophobicContact CB-CB 3.81Å; A124-L167 HydrophobicContact CB-CG 4.41Å; L125-L167 PolarHBondContact N-O 3.24Å; V165-L167 HydrophobicContact CG1-CD2 4.05Å; V165-L167 HydrophobicContact CG1-CG 4.39Å; L167-A200 CarbonylContact C-O 3.56Å; L167-A200 WeakPolarHBondContact CA-O 3.25Å; L167-A200 HydrophobicContact CD2-CB 3.87Å; L167-I202 HydrophobicContact CB-CD1 3.73Å; L167-I202 HydrophobicContact CB-CG1 4.06Å; L167-I202 HydrophobicContact CD1-CD1 4.1Å; L167-I202 HydrophobicContact CD1-CG1 4.39Å; L167-V230 HydrophobicContact CD2-CG2 3.96Å; L167-L267 HydrophobicContact CD1-CD1 4.23Å
168F98.6Very high96.5Very high0 Ų035.4 Ų35.40%021%0.212CC..EExtended strand (participates in β ladder)trans-124.2117.5175176.3-95.4000109.8F127 H149 V150 A153 P170 V191 L195 I199 A200 I202F127-F168 HydrophobicContact CD2-CD2 4.11Å; F127-F168 AromaticContact CD2-CE2 3.56Å; F127-F168 HydrophobicContact CD2-CE2 3.56Å; F127-F168 HydrophobicContact CD2-CZ 4.12Å; F127-F168 HydrophobicContact CE2-CD2 4.04Å; F127-F168 AromaticContact CE2-CE2 3.58Å; F127-F168 HydrophobicContact CE2-CE2 3.58Å; H149-F168 HydrophobicContact CB-CE2 4.25Å; H149-F168 HydrophobicContact CB-CZ 4.14Å; V150-F168 HydrophobicContact CG2-CZ 4.02Å; A153-F168 HydrophobicContact CB-CD2 3.67Å; A153-F168 HydrophobicContact CB-CE2 3.87Å; F168-P170 HydrophobicContact CD1-CB 4.45Å; F168-P170 HydrophobicContact CE1-CB 3.95Å; F168-P170 WeakPolarHBondContact O-CD 3.34Å; F168-V191 HydrophobicContact CD1-CG1 4.29Å; F168-V191 HydrophobicContact CE1-CG1 4.02Å; F168-V191 HydrophobicContact CE1-CG2 3.83Å; F168-V191 HydrophobicContact CZ-CG2 4.38Å; F168-L195 HydrophobicContact CB-CD1 4.47Å; F168-L195 HydrophobicContact CB-CD2 4.2Å; F168-L195 HydrophobicContact CD1-CD2 4.14Å; F168-L195 HydrophobicContact CD2-CD1 4.22Å; F168-L195 HydrophobicContact CG-CD1 4.19Å; F168-L195 HydrophobicContact CG-CD2 4.25Å; F168-I199 HydrophobicContact CB-CG2 3.75Å; F168-A200 PolarHBondContact N-O 3.03Å; F168-I202 PolarHBondContact O-N 2.7Å
169C98.4Very high96.2Very high3 Ų336.8 Ų36.82%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-92.9111.9171.6-162.90000110.1L125 L126 F127 I202L125-C169 PolarHBondContact O-N 2.72Å; L126-C169 HydrophobicContact CB-CB 4.21Å; L126-C169 HydrophobicContact CD2-CB 3.64Å; F127-C169 WeakPolarHBondContact CB-O 3.19Å; F127-C169 PolarHBondContact N-O 3.47Å; C169-I202 HydrophobicContact CB-CB 4.07Å; C169-I202 HydrophobicContact CB-CD1 4.01Å; C169-I202 HydrophobicContact CB-CG2 4.35Å
170P97.5Very high96Very high0 Ų037.8 Ų37.80%024%0.236CC..  trans-73.6153.817830.8-33.3000111.2F168 G172 Y173 Y187 L188 V201 I202F168-P170 HydrophobicContact CD1-CB 4.45Å; F168-P170 HydrophobicContact CE1-CB 3.95Å; F168-P170 WeakPolarHBondContact O-CD 3.34Å; P170-G172 PolarHBondContact O-N 3.18Å; P170-Y173 WeakPolarHBondContact O-CB 3.37Å; P170-Y173 WeakPolarHBondContact O-CD1 3.48Å; P170-Y173 PolarHBondContact O-N 3.38Å; P170-Y187 HydrophobicContact CB-CD1 4.5Å; P170-Y187 HydrophobicContact CB-CE1 3.63Å; P170-L188 HydrophobicContact CB-CD2 4.11Å; P170-L188 HydrophobicContact CG-CD2 4.28Å; P170-V201 HydrophobicContact CG-CG1 4.12Å; P170-I202 VanDerWaalsContact CD-O 3.3Å; P170-I202 WeakPolarHBondContact CD-O 3.24Å
171T95.5Very high95.8Very high19 Ų1939.8 Ų39.812%0.11725%0.247CC..SBendtrans-64-25.3176.4-50.70000113.5F127 I130 P132 H149 Y187F127-T171 WeakPolarHBondContact O-CA 3.22Å; F127-T171 VanDerWaalsContact O-CB 3.31Å; F127-T171 WeakPolarHBondContact O-CB 3.34Å; F127-T171 PolarHBondContact O-OG1 2.68Å; I130-T171 HydrophobicContact CG1-CG2 3.87Å; I130-T171 WeakPolarHBondContact O-CG2 3.13Å; P132-T171 HydrophobicContact CB-CG2 4.38Å; H149-T171 PolarHBondContact CE1-OG1 3.13Å; T171-Y187 PolarHBondContact N-OH 3.09Å; T171-Y187 PolarHBondContact OG1-OH 3.4Å
172G93.8Very high95.4Very high8 Ų837.4 Ų37.48%0.08222%0.22CC..SBendtrans-100.480.9162.300000110.4P170 W203P170-G172 PolarHBondContact O-N 3.18Å; G172-W203 WeakPolarHBondContact O-CZ3 3.26Å
173Y97Very high95.1Very high20 Ų2038.3 Ų38.38%0.07822%0.22CC..  trans-88.82.3-176.754.5-103.2000114.8D128 D129 P170 L177 W203 T204 V208D128-Y173 HydrophobicContact CB-CD1 3.78Å; D128-Y173 HydrophobicContact CB-CE1 3.65Å; D129-Y173 WeakPolarHBondContact OD1-CE1 3.31Å; D129-Y173 PolarHBondContact OD1-OH 2.87Å; P170-Y173 WeakPolarHBondContact O-CB 3.37Å; P170-Y173 WeakPolarHBondContact O-CD1 3.48Å; P170-Y173 PolarHBondContact O-N 3.38Å; Y173-L177 HydrophobicContact CD1-CD1 4.06Å; Y173-L177 HydrophobicContact CD2-CD1 3.92Å; Y173-L177 HydrophobicContact CE1-CD1 3.69Å; Y173-L177 HydrophobicContact CE2-CD1 3.55Å; Y173-L177 HydrophobicContact CG-CD1 4.18Å; Y173-L177 VanDerWaalsContact CZ-CD1 3.43Å; Y173-W203 CarbonylContact O-C 3.51Å; Y173-W203 WeakPolarHBondContact O-CA 3.44Å; Y173-T204 HydrophobicContact CD2-CG2 3.6Å; Y173-T204 HydrophobicContact CE2-CG2 4.11Å; Y173-T204 PolarHBondContact O-N 2.86Å; Y173-T204 PolarHBondContact O-OG1 3.2Å; Y173-V208 HydrophobicContact CE2-CB 4.39Å; Y173-V208 HydrophobicContact CE2-CG1 4.12Å; Y173-V208 HydrophobicContact CE2-CG2 3.91Å
174S97Very high95Very high0 Ų044.7 Ų44.70%025%0.246CC..SBendtrans-139163.3172.9750000110.2S176 L177 A178 W203 T204 G205S174-S176 VanDerWaalsContact C-N 3.28Å; S174-S176 PolarHBondContact O-N 2.88Å; S174-S176 PolarHBondContact OG-OG 2.76Å; S174-L177 CarbonylContact O-C 3.49Å; S174-L177 PolarHBondContact O-N 2.83Å; S174-L177 WeakPolarHBondContact OG-CG 3.44Å; S174-L177 PolarHBondContact OG-N 2.9Å; S174-A178 PolarHBondContact O-N 2.91Å; S174-A178 VanDerWaalsContact O-N 3.08Å; S174-W203 VanDerWaalsContact C-CH2 3.48Å; S174-T204 WeakPolarHBondContact CB-OG1 3.44Å; S174-G205 WeakPolarHBondContact CA-O 3.1Å; S174-G205 WeakPolarHBondContact CB-O 3.49Å
175E96.1Very high95.1Very high85 Ų8539.2 Ų39.240%0.39722%0.217SC..G310 helixtrans-60.6-40176.1-179.8168.7-167.600111.6L177 A178 W203 G205E175-L177 PolarHBondContact O-N 3.12Å; E175-L177 VanDerWaalsContact O-N 3.13Å; E175-A178 WeakPolarHBondContact O-CB 3.47Å; E175-A178 PolarHBondContact O-N 2.94Å; E175-W203 HydrophobicContact CB-CZ2 4.25Å; E175-G205 PolarHBondContact N-O 3.43Å
176S95.4Very high95Very high69 Ų6945.7 Ų45.748%0.48325%0.246SC..G310 helixtrans-62-16.7174.766.10000115S174 P206S174-S176 VanDerWaalsContact C-N 3.28Å; S174-S176 PolarHBondContact O-N 2.88Å; S174-S176 PolarHBondContact OG-OG 2.76Å; S176-P206 WeakPolarHBondContact CB-O 3.43Å; S176-P206 PolarHBondContact N-O 3.29Å
177L95.3Very high94.9Very high66 Ų6647 Ų4735%0.34625%0.251SS..G310 helixtrans-104.9-7.7175.8-63.1174.4000112.7Y173 S174 E175 V179 V208Y173-L177 HydrophobicContact CD1-CD1 4.06Å; Y173-L177 HydrophobicContact CD2-CD1 3.92Å; Y173-L177 HydrophobicContact CE1-CD1 3.69Å; Y173-L177 HydrophobicContact CE2-CD1 3.55Å; Y173-L177 HydrophobicContact CG-CD1 4.18Å; Y173-L177 VanDerWaalsContact CZ-CD1 3.43Å; S174-L177 CarbonylContact O-C 3.49Å; S174-L177 PolarHBondContact O-N 2.83Å; S174-L177 WeakPolarHBondContact OG-CG 3.44Å; S174-L177 PolarHBondContact OG-N 2.9Å; E175-L177 PolarHBondContact O-N 3.12Å; E175-L177 VanDerWaalsContact O-N 3.13Å; L177-V179 PolarHBondContact O-N 3.01Å; L177-V208 HydrophobicContact CD1-CG2 4.16Å
178A93.8Very high94.8Very high6 Ų647 Ų475%0.0525%0.251CS..SBendtrans-79.2102.8175.200000110.2S174 E175 P180 N181 L188S174-A178 PolarHBondContact O-N 2.91Å; S174-A178 VanDerWaalsContact O-N 3.08Å; E175-A178 WeakPolarHBondContact O-CB 3.47Å; E175-A178 PolarHBondContact O-N 2.94Å; A178-P180 CarbonylContact O-C 3.58Å; A178-N181 CarbonylContact O-C 3.19Å; A178-N181 WeakPolarHBondContact O-CA 3.44Å; A178-N181 PolarHBondContact O-N 3.07Å; A178-L188 HydrophobicContact CB-CD1 3.67Å
179V91.4Very high94.7Very high112 Ų11248.9 Ų48.968%0.67927%0.267SS*.SBendtrans-89.2127.9-178.7-177.80000110.6L177 S185L177-V179 PolarHBondContact O-N 3.01Å; V179-S185 VanDerWaalsContact O-CA 3.27Å; V179-S185 WeakPolarHBondContact O-CA 3.46Å; V179-S185 WeakPolarHBondContact O-CB 3.32Å; V179-S185 PolarHBondContact O-OG 2.93Å
180P92.9Very high94.7Very high91 Ų9150 Ų5059%0.59127%0.274SS*.SBendcis-86.4-8-4.936.6-36000114.2A178 K184A178-P180 CarbonylContact O-C 3.58Å; P180-K184 WeakPolarHBondContact CD-O 3.47Å; P180-K184 HydrophobicContact CG-CB 3.99Å
181N92Very high94.7Very high61 Ų6150 Ų5033%0.32627%0.274SS..  trans-171.5164.9166.93988.2000107.5A178 N183 K184 S185A178-N181 CarbonylContact O-C 3.19Å; A178-N181 WeakPolarHBondContact O-CA 3.44Å; A178-N181 PolarHBondContact O-N 3.07Å; N181-N183 PolarHBondContact O-N 3.45Å; N181-K184 CarbonylContact O-C 3.6Å; N181-K184 PolarHBondContact O-N 2.82Å; N181-K184 VanDerWaalsContact O-N 3.09Å; N181-K184 WeakPolarHBondContact OD1-CB 3.43Å; N181-K184 WeakPolarHBondContact OD1-CG 3.41Å; N181-S185 WeakPolarHBondContact O-CB 3.37Å; N181-S185 PolarHBondContact O-N 3.23Å
182T90.3Very high94.8Very high11 Ų1150.4 Ų50.47%0.06728%0.278CS..G310 helixtrans-40.9-61.9-179.8-56.20000113.2K184 S185 L188 L221 F224T182-K184 PolarHBondContact O-N 3.27Å; T182-S185 PolarHBondContact O-N 2.76Å; T182-L188 HydrophobicContact CG2-CD1 4.47Å; T182-L221 HydrophobicContact CG2-CD1 3.42Å; T182-L221 VanDerWaalsContact CG2-CD1 3.42Å; T182-F224 HydrophobicContact CG2-CD1 4.5Å
183N89.3Confident94.9Very high81 Ų8154.3 Ų54.343%0.43330%0.304SS..G310 helixtrans-75.41.1-170.9-61.1-12.9000114.2N181N181-N183 PolarHBondContact O-N 3.45Å
184K93.3Very high94.9Very high153 Ų15355 Ų5567%0.66531%0.312SS*.G310 helixtrans-1296.4176.9-65.4-178.7-178.4175.20113P180 N181 T182 E186P180-K184 WeakPolarHBondContact CD-O 3.47Å; P180-K184 HydrophobicContact CG-CB 3.99Å; N181-K184 CarbonylContact O-C 3.6Å; N181-K184 PolarHBondContact O-N 2.82Å; N181-K184 VanDerWaalsContact O-N 3.09Å; N181-K184 WeakPolarHBondContact OD1-CB 3.43Å; N181-K184 WeakPolarHBondContact OD1-CG 3.41Å; T182-K184 PolarHBondContact O-N 3.27Å; K184-E186 PolarHBondContact O-N 3.22Å
185S95.4Very high95Very high6 Ų655.4 Ų55.44%0.04231%0.314CS..  trans-77.2113.6-178.3-175.70000110.8V179 N181 T182 Y187 L188 A189V179-S185 VanDerWaalsContact O-CA 3.27Å; V179-S185 WeakPolarHBondContact O-CA 3.46Å; V179-S185 WeakPolarHBondContact O-CB 3.32Å; V179-S185 PolarHBondContact O-OG 2.93Å; N181-S185 WeakPolarHBondContact O-CB 3.37Å; N181-S185 PolarHBondContact O-N 3.23Å; T182-S185 PolarHBondContact O-N 2.76Å; S185-Y187 PolarHBondContact O-N 2.97Å; S185-L188 PolarHBondContact O-N 3.44Å; S185-L188 VanDerWaalsContact O-N 3.15Å; S185-L188 PolarHBondContact OG-N 3.06Å; S185-A189 WeakPolarHBondContact O-CB 3.2Å; S185-A189 PolarHBondContact O-N 3.23Å
186E95.3Very high95Very high165 Ų16553 Ų5377%0.77131%0.306SS*.Hα-helixtrans-57.7-31.9174.5-62.7-176.316500111.8K184 T190K184-E186 PolarHBondContact O-N 3.22Å; E186-T190 WeakPolarHBondContact O-CB 3.32Å; E186-T190 PolarHBondContact O-N 3.31Å; E186-T190 PolarHBondContact O-OG1 3.2Å
187Y96.2Very high95Very high29 Ų2953.7 Ų53.711%0.11431%0.308CS..Hα-helixtrans-63.4-55.6173.8-174.9-70.7000110.5A146 H149 P170 T171 S185 A189 T190 V191A146-Y187 HydrophobicContact CB-CD1 4.24Å; A146-Y187 HydrophobicContact CB-CD2 3.55Å; A146-Y187 HydrophobicContact CB-CE2 3.89Å; A146-Y187 HydrophobicContact CB-CG 3.72Å; H149-Y187 AromaticContact ND1-CE2 3.88Å; H149-Y187 AromaticContact ND1-CZ 3.82Å; H149-Y187 PolarHBondContact ND1-OH 3.25Å; P170-Y187 HydrophobicContact CB-CD1 4.5Å; P170-Y187 HydrophobicContact CB-CE1 3.63Å; T171-Y187 PolarHBondContact N-OH 3.09Å; T171-Y187 PolarHBondContact OG1-OH 3.4Å; S185-Y187 PolarHBondContact O-N 2.97Å; Y187-A189 PolarHBondContact O-N 2.86Å; Y187-T190 WeakPolarHBondContact O-CB 3.44Å; Y187-T190 PolarHBondContact O-N 3.47Å; Y187-T190 VanDerWaalsContact O-N 3.12Å; Y187-V191 HydrophobicContact CD1-CG2 3.96Å; Y187-V191 HydrophobicContact CE1-CG2 3.65Å; Y187-V191 WeakPolarHBondContact O-CG2 3.5Å; Y187-V191 PolarHBondContact O-N 3.34Å
188L96.8Very high94.8Very high1 Ų151.7 Ų51.71%0.00530%0.304CS..Hα-helixtrans-71.1-31.4-176.7-62.2173.8000112.6P170 A178 T182 S185 T190 V191 A192 W203 F224P170-L188 HydrophobicContact CB-CD2 4.11Å; P170-L188 HydrophobicContact CG-CD2 4.28Å; A178-L188 HydrophobicContact CB-CD1 3.67Å; T182-L188 HydrophobicContact CG2-CD1 4.47Å; S185-L188 PolarHBondContact O-N 3.44Å; S185-L188 VanDerWaalsContact O-N 3.15Å; S185-L188 PolarHBondContact OG-N 3.06Å; L188-T190 VanDerWaalsContact C-N 3.29Å; L188-T190 PolarHBondContact O-N 2.84Å; L188-V191 WeakPolarHBondContact O-CB 3.44Å; L188-V191 PolarHBondContact O-N 2.88Å; L188-A192 WeakPolarHBondContact O-CB 3.3Å; L188-A192 PolarHBondContact O-N 3.05Å; L188-W203 HydrophobicContact CD1-CH2 3.85Å; L188-W203 HydrophobicContact CD1-CZ3 3.96Å; L188-W203 HydrophobicContact CD2-CZ3 4.25Å; L188-F224 HydrophobicContact CB-CE1 3.82Å
189A96.9Very high95Very high40 Ų4051.4 Ų51.433%0.33130%0.301SS..Hα-helixtrans-62.9-35.4169.700000112S185 Y187 S193 F224S185-A189 WeakPolarHBondContact O-CB 3.2Å; S185-A189 PolarHBondContact O-N 3.23Å; Y187-A189 PolarHBondContact O-N 2.86Å; A189-S193 WeakPolarHBondContact O-CB 3.24Å; A189-S193 PolarHBondContact O-N 2.73Å; A189-S193 VanDerWaalsContact O-N 3.09Å; A189-S193 PolarHBondContact O-OG 2.99Å; A189-F224 HydrophobicContact CB-CZ 4.08Å
190T97.3Very high95.3Very high28 Ų2846.7 Ų46.717%0.17227%0.274CS..Hα-helixtrans-70.4-35.9172.6-55.50000111.5A146 R147 E186 Y187 L188 C194A146-T190 HydrophobicContact CB-CG2 3.83Å; R147-T190 HydrophobicContact CB-CG2 4.11Å; E186-T190 WeakPolarHBondContact O-CB 3.32Å; E186-T190 PolarHBondContact O-N 3.31Å; E186-T190 PolarHBondContact O-OG1 3.2Å; Y187-T190 WeakPolarHBondContact O-CB 3.44Å; Y187-T190 PolarHBondContact O-N 3.47Å; Y187-T190 VanDerWaalsContact O-N 3.12Å; L188-T190 VanDerWaalsContact C-N 3.29Å; L188-T190 PolarHBondContact O-N 2.84Å; T190-C194 WeakPolarHBondContact O-CB 3.49Å; T190-C194 PolarHBondContact O-N 3.43Å
191V97.5Very high95.6Very high0 Ų042.3 Ų42.30%025%0.245CC..Hα-helixtrans-61.6-57.7172.5176.90000109.9V150 F168 Y187 L188 S193 C194 L195 V201V150-V191 HydrophobicContact CG2-CB 4.39Å; V150-V191 HydrophobicContact CG2-CG2 3.91Å; F168-V191 HydrophobicContact CD1-CG1 4.29Å; F168-V191 HydrophobicContact CE1-CG1 4.02Å; F168-V191 HydrophobicContact CE1-CG2 3.83Å; F168-V191 HydrophobicContact CZ-CG2 4.38Å; Y187-V191 HydrophobicContact CD1-CG2 3.96Å; Y187-V191 HydrophobicContact CE1-CG2 3.65Å; Y187-V191 WeakPolarHBondContact O-CG2 3.5Å; Y187-V191 PolarHBondContact O-N 3.34Å; L188-V191 WeakPolarHBondContact O-CB 3.44Å; L188-V191 PolarHBondContact O-N 2.88Å; V191-S193 VanDerWaalsContact C-N 3.28Å; V191-S193 PolarHBondContact O-N 3.26Å; V191-C194 PolarHBondContact O-N 2.89Å; V191-L195 HydrophobicContact CG1-CB 4.31Å; V191-L195 HydrophobicContact CG1-CD2 3.91Å; V191-L195 WeakPolarHBondContact O-CB 3.2Å; V191-L195 PolarHBondContact O-N 2.76Å; V191-V201 HydrophobicContact CG1-CG2 4.17Å
192A97.2Very high95.9Very high26 Ų2639.5 Ų39.522%0.21523%0.23CC..Hα-helixtrans-57.1-32.4-178.600000114.9L188 F224 L225L188-A192 WeakPolarHBondContact O-CB 3.3Å; L188-A192 PolarHBondContact O-N 3.05Å; A192-F224 WeakPolarHBondContact CB-O 3.46Å; A192-L225 HydrophobicContact CB-CD2 4.28Å
193S96.8Very high96.3Very high90 Ų9039.5 Ų39.563%0.62923%0.229SC*.Hα-helixtrans-95.2-10-177.960.70000115.3A189 V191A189-S193 WeakPolarHBondContact O-CB 3.24Å; A189-S193 PolarHBondContact O-N 2.73Å; A189-S193 VanDerWaalsContact O-N 3.09Å; A189-S193 PolarHBondContact O-OG 2.99Å; V191-S193 VanDerWaalsContact C-N 3.28Å; V191-S193 PolarHBondContact O-N 3.26Å
194C97.7Very high96.7Very high35 Ų3535.8 Ų35.824%0.23621%0.209CC..Hα-helixtrans-132.2-16-172.1-61.80000115.6R147 V150 N154 T190 V191R147-C194 PolarHBondContact NH1-SG 3.48Å; V150-C194 HydrophobicContact CG1-CB 3.68Å; V150-C194 WeakPolarHBondContact CG1-O 2.97Å; N154-C194 PolarHBondContact ND2-O 3.22Å; T190-C194 WeakPolarHBondContact O-CB 3.49Å; T190-C194 PolarHBondContact O-N 3.43Å; V191-C194 PolarHBondContact O-N 2.89Å
195L98.2Very high96.9Very high8 Ų828.5 Ų28.54%0.04218%0.178CC..SBendtrans-75.7141.3179.3-173.273.4000109.7V150 A153 F168 V191 P197 I199 V201 H227V150-L195 HydrophobicContact CG1-CB 3.95Å; V150-L195 HydrophobicContact CG1-CD1 4.15Å; A153-L195 HydrophobicContact CB-CD1 4.23Å; F168-L195 HydrophobicContact CB-CD1 4.47Å; F168-L195 HydrophobicContact CB-CD2 4.2Å; F168-L195 HydrophobicContact CD1-CD2 4.14Å; F168-L195 HydrophobicContact CD2-CD1 4.22Å; F168-L195 HydrophobicContact CG-CD1 4.19Å; F168-L195 HydrophobicContact CG-CD2 4.25Å; V191-L195 HydrophobicContact CG1-CB 4.31Å; V191-L195 HydrophobicContact CG1-CD2 3.91Å; V191-L195 WeakPolarHBondContact O-CB 3.2Å; V191-L195 PolarHBondContact O-N 2.76Å; L195-P197 WeakPolarHBondContact O-CD 3.14Å; L195-I199 HydrophobicContact CD1-CB 4.42Å; L195-I199 HydrophobicContact CD1-CD1 3.7Å; L195-I199 HydrophobicContact CD1-CG2 4.17Å; L195-I199 HydrophobicContact CD2-CB 4.15Å; L195-I199 HydrophobicContact CD2-CG2 3.8Å; L195-I199 HydrophobicContact CG-CB 4.08Å; L195-I199 HydrophobicContact CG-CD1 4.08Å; L195-I199 HydrophobicContact CG-CG2 4.11Å; L195-V201 HydrophobicContact CD2-CG2 3.8Å; L195-H227 PolarHBondContact O-CE1 3.29Å; L195-H227 PolarHBondContact O-NE2 3.36Å
196T97.3Very high96.9Very high36 Ų3629.7 Ų29.722%0.22119%0.186CC..  trans-63.7126-178.7-61.90000110.1N154 Y157 G198 I199 H227N154-T196 VanDerWaalsContact CG-OG1 3.29Å; N154-T196 PolarHBondContact OD1-N 3.27Å; N154-T196 PolarHBondContact OD1-OG1 2.89Å; Y157-T196 HydrophobicContact CD1-CG2 3.89Å; Y157-T196 HydrophobicContact CE1-CG2 3.59Å; T196-G198 PolarHBondContact O-N 2.71Å; T196-I199 WeakPolarHBondContact O-CB 3.28Å; T196-I199 PolarHBondContact O-N 2.84Å; T196-H227 PolarHBondContact O-CE1 3.37Å
197P94.3Very high97Very high83 Ų8325.7 Ų25.754%0.53917%0.169SC..THydrogen-bonded Turntrans-56.3-20.3-170.7-31.737000117.1F9 L195 I199F9-P197 WeakPolarHBondContact CE1-O 3.33Å; L195-P197 WeakPolarHBondContact O-CD 3.14Å; P197-I199 VanDerWaalsContact C-N 3.26Å; P197-I199 PolarHBondContact O-N 2.91Å
198G92.3Very high97Very high24 Ų2426.9 Ų26.925%0.24718%0.179CC..THydrogen-bonded Turntrans-73.1-13.3174.300000115T196T196-G198 PolarHBondContact O-N 2.71Å
199I97.7Very high97Very high0 Ų028 Ų280%019%0.186CC..SBendtrans-84135.4177.6-60171.4000109.7Y157 F166 F168 L195 T196 P197 H227Y157-I199 HydrophobicContact CD1-CD1 4.28Å; Y157-I199 HydrophobicContact CD1-CG1 4.22Å; Y157-I199 HydrophobicContact CD2-CD1 4.24Å; Y157-I199 HydrophobicContact CD2-CG1 3.71Å; Y157-I199 HydrophobicContact CE1-CG1 4.49Å; Y157-I199 HydrophobicContact CE2-CG1 3.99Å; Y157-I199 HydrophobicContact CG-CD1 3.87Å; Y157-I199 HydrophobicContact CG-CG1 3.81Å; F166-I199 HydrophobicContact CB-CG1 4.36Å; F166-I199 HydrophobicContact CD1-CB 4.42Å; F166-I199 HydrophobicContact CD1-CD1 4.08Å; F166-I199 HydrophobicContact CD1-CG1 3.84Å; F166-I199 HydrophobicContact CD1-CG2 3.87Å; F166-I199 HydrophobicContact CE1-CD1 4.34Å; F166-I199 HydrophobicContact CG-CG1 4.42Å; F168-I199 HydrophobicContact CB-CG2 3.75Å; L195-I199 HydrophobicContact CD1-CB 4.42Å; L195-I199 HydrophobicContact CD1-CD1 3.7Å; L195-I199 HydrophobicContact CD1-CG2 4.17Å; L195-I199 HydrophobicContact CD2-CB 4.15Å; L195-I199 HydrophobicContact CD2-CG2 3.8Å; L195-I199 HydrophobicContact CG-CB 4.08Å; L195-I199 HydrophobicContact CG-CD1 4.08Å; L195-I199 HydrophobicContact CG-CG2 4.11Å; T196-I199 WeakPolarHBondContact O-CB 3.28Å; T196-I199 PolarHBondContact O-N 2.84Å; P197-I199 VanDerWaalsContact C-N 3.26Å; P197-I199 PolarHBondContact O-N 2.91Å; I199-H227 PolarHBondContact O-ND1 2.93Å
200A97.9Very high96.9Very high12 Ų1226.1 Ų26.110%0.09917%0.171CC..EExtended strand (participates in β ladder)trans-92.6146.7172.300000111.6F166 L167 F168 P228 V230F166-A200 PolarHBondContact O-N 2.95Å; L167-A200 CarbonylContact C-O 3.56Å; L167-A200 WeakPolarHBondContact CA-O 3.25Å; L167-A200 HydrophobicContact CD2-CB 3.87Å; F168-A200 PolarHBondContact N-O 3.03Å; A200-P228 CarbonylContact C-O 3.54Å; A200-P228 VanDerWaalsContact CA-O 3.25Å; A200-P228 WeakPolarHBondContact CA-O 3.45Å; A200-P228 HydrophobicContact CB-CB 4.05Å; A200-P228 WeakPolarHBondContact CB-O 3.41Å; A200-V230 HydrophobicContact CB-CG2 4.15Å
201V98.4Very high96.7Very high0 Ų029.6 Ų29.60%018%0.183CC..EExtended strand (participates in β ladder)trans-98.9130.8179.5178.70000109.9P170 V191 L195 L225 H227 P228 I229 V230P170-V201 HydrophobicContact CG-CG1 4.12Å; V191-V201 HydrophobicContact CG1-CG2 4.17Å; L195-V201 HydrophobicContact CD2-CG2 3.8Å; V201-L225 HydrophobicContact CB-CD1 4.17Å; V201-L225 HydrophobicContact CG1-CD1 3.95Å; V201-L225 HydrophobicContact CG2-CD1 4.46Å; V201-H227 HydrophobicContact CG2-CB 3.79Å; V201-P228 PolarHBondContact N-O 3.39Å; V201-I229 WeakPolarHBondContact O-CA 3.33Å; V201-V230 PolarHBondContact O-N 3.09Å
202I98.6Very high96.6Very high2 Ų234.7 Ų34.71%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-81.3139.3173.6-68.9165.3000110L48 L126 L167 F168 C169 P170 V230 W232L48-I202 HydrophobicContact CD2-CD1 4.47Å; L126-I202 HydrophobicContact CD2-CD1 3.94Å; L167-I202 HydrophobicContact CB-CD1 3.73Å; L167-I202 HydrophobicContact CB-CG1 4.06Å; L167-I202 HydrophobicContact CD1-CD1 4.1Å; L167-I202 HydrophobicContact CD1-CG1 4.39Å; F168-I202 PolarHBondContact O-N 2.7Å; C169-I202 HydrophobicContact CB-CB 4.07Å; C169-I202 HydrophobicContact CB-CD1 4.01Å; C169-I202 HydrophobicContact CB-CG2 4.35Å; P170-I202 VanDerWaalsContact CD-O 3.3Å; P170-I202 WeakPolarHBondContact CD-O 3.24Å; I202-V230 WeakPolarHBondContact CA-O 3.44Å; I202-W232 HydrophobicContact CD1-CE3 4.4Å; I202-W232 HydrophobicContact CG2-CB 3.53Å; I202-W232 HydrophobicContact CG2-CD2 4.49Å; I202-W232 HydrophobicContact CG2-CE3 4.09Å; I202-W232 HydrophobicContact CG2-CG 4.36Å
203W98.5Very high96.5Very high10 Ų1033.6 Ų33.64%0.03819%0.193CC..EExtended strand (participates in β ladder)trans-143.4149.1177.4-162.6-109.8000111.3G172 Y173 S174 E175 L188 G205 L221 I229 V230 L231 W232G172-W203 WeakPolarHBondContact O-CZ3 3.26Å; Y173-W203 CarbonylContact O-C 3.51Å; Y173-W203 WeakPolarHBondContact O-CA 3.44Å; S174-W203 VanDerWaalsContact C-CH2 3.48Å; E175-W203 HydrophobicContact CB-CZ2 4.25Å; L188-W203 HydrophobicContact CD1-CH2 3.85Å; L188-W203 HydrophobicContact CD1-CZ3 3.96Å; L188-W203 HydrophobicContact CD2-CZ3 4.25Å; W203-G205 PolarHBondContact NE1-O 2.8Å; W203-G205 VanDerWaalsContact NE1-O 3.16Å; W203-L221 HydrophobicContact CB-CD2 4.46Å; W203-L221 HydrophobicContact CD2-CD2 3.54Å; W203-L221 HydrophobicContact CE3-CD2 4.19Å; W203-L221 HydrophobicContact CG-CD2 3.65Å; W203-L221 HydrophobicContact CH2-CD1 4.17Å; W203-L221 HydrophobicContact CZ2-CD1 4.17Å; W203-L221 HydrophobicContact CZ2-CD2 3.94Å; W203-L221 HydrophobicContact CZ3-CD1 4.4Å; W203-I229 HydrophobicContact CB-CG2 3.8Å; W203-V230 PolarHBondContact N-O 3.15Å; W203-L231 CarbonylContact O-C 3.51Å; W203-L231 VanDerWaalsContact O-CA 3.31Å; W203-L231 WeakPolarHBondContact O-CA 3.41Å; W203-W232 PolarHBondContact O-N 2.97Å
204T98.2Very high96.3Very high3 Ų332.4 Ų32.42%0.01818%0.179CC..  trans-109.22.517868.60000114.2Y173 S174 L207 S210 W232Y173-T204 HydrophobicContact CD2-CG2 3.6Å; Y173-T204 HydrophobicContact CE2-CG2 4.11Å; Y173-T204 PolarHBondContact O-N 2.86Å; Y173-T204 PolarHBondContact O-OG1 3.2Å; S174-T204 WeakPolarHBondContact CB-OG1 3.44Å; T204-L207 CarbonylContact C-O 3.6Å; T204-L207 PolarHBondContact OG1-O 3.02Å; T204-S210 WeakPolarHBondContact O-CB 3.5Å; T204-S210 PolarHBondContact O-OG 3.45Å; T204-W232 WeakPolarHBondContact CA-O 3.48Å; T204-W232 HydrophobicContact CG2-CB 4.21Å; T204-W232 HydrophobicContact CG2-CG 4.36Å; T204-W232 WeakPolarHBondContact CG2-O 3.49Å
205G96.9Very high96.1Very high1 Ų131.2 Ų31.21%0.0117%0.172CC..  trans96.7-155.8-177.100000112.7S174 E175 W203 L207 S210S174-G205 WeakPolarHBondContact CA-O 3.1Å; S174-G205 WeakPolarHBondContact CB-O 3.49Å; E175-G205 PolarHBondContact N-O 3.43Å; W203-G205 PolarHBondContact NE1-O 2.8Å; W203-G205 VanDerWaalsContact NE1-O 3.16Å; G205-L207 PolarHBondContact O-N 3.45Å; G205-S210 WeakPolarHBondContact CA-OG 3.25Å
206P95.7Very high95.9Very high31 Ų3136.8 Ų36.820%0.20120%0.196CC..SBendtrans-59.8-31.7179-28.136.9000114.1S176 S210S176-P206 WeakPolarHBondContact CB-O 3.43Å; S176-P206 PolarHBondContact N-O 3.29Å; P206-S210 WeakPolarHBondContact CD-OG 3.36Å
207L96.6Very high95.7Very high80 Ų8038.7 Ų38.742%0.41920%0.202SC..SBendtrans-127.1171.8-178-59.2178.4000111T204 G205 V209 S210T204-L207 CarbonylContact C-O 3.6Å; T204-L207 PolarHBondContact OG1-O 3.02Å; G205-L207 PolarHBondContact O-N 3.45Å; L207-V209 VanDerWaalsContact C-N 3.33Å; L207-V209 WeakPolarHBondContact CB-O 3.47Å; L207-S210 PolarHBondContact N-OG 2.82Å; L207-S210 PolarHBondContact O-OG 3.2Å
208V96.2Very high95.7Very high54 Ų5435 Ų3533%0.32718%0.178SC..SBendtrans-58.5-48167.6-178.60000110.2Y173 L177 N234Y173-V208 HydrophobicContact CE2-CB 4.39Å; Y173-V208 HydrophobicContact CE2-CG1 4.12Å; Y173-V208 HydrophobicContact CE2-CG2 3.91Å; L177-V208 HydrophobicContact CD1-CG2 4.16Å; V208-N234 WeakPolarHBondContact O-CB 3.31Å; V208-N234 PolarHBondContact O-ND2 3.49Å
209V96.5Very high95.9Very high25 Ų2539.9 Ų39.915%0.15219%0.192CC..SBendtrans-111.8102.6169.5-174.40000107.3L207 N234 V237 Y240 P440 F441L207-V209 VanDerWaalsContact C-N 3.33Å; L207-V209 WeakPolarHBondContact CB-O 3.47Å; V209-N234 HydrophobicContact CG2-CB 4.06Å; V209-V237 HydrophobicContact CG2-CG1 4.25Å; V209-Y240 HydrophobicContact CG2-CD1 4.48Å; V209-Y240 HydrophobicContact CG2-CE1 4.1Å; V209-P440 HydrophobicContact CG1-CB 4.3Å; V209-P440 HydrophobicContact CG1-CG 4.25Å; V209-F441 HydrophobicContact CB-CZ 4.19Å; V209-F441 HydrophobicContact CG1-CE2 3.82Å; V209-F441 HydrophobicContact CG1-CZ 3.71Å; V209-F441 VanDerWaalsContact O-CZ 3.24Å; V209-F441 WeakPolarHBondContact O-CZ 3.45Å
210S95.5Very high95.8Very high1 Ų144.1 Ų44.11%0.00721%0.212CC..  trans-89.6126.4-173.3-66.90000112.5T204 G205 P206 L207 R253T204-S210 WeakPolarHBondContact O-CB 3.5Å; T204-S210 PolarHBondContact O-OG 3.45Å; G205-S210 WeakPolarHBondContact CA-OG 3.25Å; P206-S210 WeakPolarHBondContact CD-OG 3.36Å; L207-S210 PolarHBondContact N-OG 2.82Å; L207-S210 PolarHBondContact O-OG 3.2Å; S210-R253 VanDerWaalsContact O-CZ 3.3Å; S210-R253 PolarHBondContact O-NH1 3.4Å; S210-R253 PolarHBondContact O-NH2 2.81Å
211K93.1Very high95.6Very high100 Ų10043.9 Ų43.944%0.43521%0.209SC..SBendtrans-67.7-42.2174-175.4173-176.4153.70111.9R253 F441K211-R253 PolarHBondContact O-NH1 2.9Å; K211-F441 HydrophobicContact CB-CB 4.35Å; K211-F441 HydrophobicContact CB-CD1 4.33Å; K211-F441 HydrophobicContact CB-CD2 3.54Å; K211-F441 HydrophobicContact CB-CE2 3.85Å; K211-F441 HydrophobicContact CB-CG 3.81Å; K211-F441 HydrophobicContact CB-CZ 4.38Å; K211-F441 HydrophobicContact CD-CB 3.59Å; K211-F441 HydrophobicContact CD-CD2 4.42Å; K211-F441 HydrophobicContact CD-CG 3.97Å; K211-F441 HydrophobicContact CG-CB 3.8Å; K211-F441 HydrophobicContact CG-CD2 3.76Å; K211-F441 HydrophobicContact CG-CG 3.82Å; K211-F441 PolarHBondContact NZ-O 3.46Å
212R94.5Very high95.5Very high107 Ų10746.8 Ų46.840%0.40422%0.222SC..  trans-141157.1173.7-62.2-174.8177.3178.3-3.1109L214 G252 D313R212-L214 HydrophobicContact CB-CD2 4.42Å; R212-G252 VanDerWaalsContact CA-O 3.22Å; R212-G252 WeakPolarHBondContact CA-O 3.37Å; R212-G252 WeakPolarHBondContact CB-O 3.36Å; R212-D313 IonicContact CZ-OD2 2.72Å; R212-D313 IonicContact NE-OD2 2.68Å; R212-D313 IonicContact NH2-OD2 3.79Å; R212-D313 PolarHBondContact NH2-OD2 3.5Å
213T94.8Very high95.3Very high3 Ų350.9 Ų50.92%0.01825%0.247CC..  trans-134.6108.3173.1-57.30000106.9G252 P254 L257T213-G252 PolarHBondContact N-O 3.06Å; T213-P254 VanDerWaalsContact O-CD 3.3Å; T213-P254 WeakPolarHBondContact O-CD 3.29Å; T213-L257 HydrophobicContact CG2-CD1 4.14Å
214L93.6Very high95.2Very high65 Ų6553.1 Ų53.134%0.3426%0.257SS..  trans-86.2147.5-171.6-53.3-177.5000112R212 K216 E217 L218R212-L214 HydrophobicContact CB-CD2 4.42Å; L214-K216 VanDerWaalsContact C-N 3.26Å; L214-K216 PolarHBondContact O-N 2.63Å; L214-E217 HydrophobicContact CB-CB 4.46Å; L214-E217 HydrophobicContact CB-CG 4.05Å; L214-E217 VanDerWaalsContact CB-OE2 3.28Å; L214-E217 WeakPolarHBondContact CB-OE2 3.14Å; L214-E217 WeakPolarHBondContact CG-OE2 3.45Å; L214-E217 PolarHBondContact N-OE2 2.79Å; L214-E217 PolarHBondContact O-N 2.95Å; L214-L218 PolarHBondContact O-N 2.75Å
215A94.2Very high95Very high10 Ų1053 Ų538%0.08326%0.257CS..Hα-helixtrans-64.1-32.5-179.800000112.5K219 P254 A256 L257 L262A215-K219 WeakPolarHBondContact O-CB 3.44Å; A215-K219 PolarHBondContact O-N 3.02Å; A215-P254 HydrophobicContact CB-CG 4.39Å; A215-A256 HydrophobicContact CB-CB 3.8Å; A215-L257 VanDerWaalsContact CA-CD2 3.5Å; A215-L257 HydrophobicContact CB-CD2 3.91Å; A215-L262 HydrophobicContact CB-CD1 4.05Å; A215-L262 VanDerWaalsContact O-CD1 3.32Å; A215-L262 WeakPolarHBondContact O-CD1 3.26Å
216K94.2Very high94.9Very high126 Ų12659.7 Ų59.755%0.54829%0.287SS..Hα-helixtrans-62.5-53.4173.1-174.6-167.2170.8-1500112L214 L218 K219 E220L214-K216 VanDerWaalsContact C-N 3.26Å; L214-K216 PolarHBondContact O-N 2.63Å; K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L218 PolarHBondContact O-N 2.98Å; K216-K219 WeakPolarHBondContact O-CB 3.47Å; K216-K219 PolarHBondContact O-N 3.28Å; K216-K219 VanDerWaalsContact O-N 3.16Å; K216-E220 WeakPolarHBondContact CE-OE1 3.15Å; K216-E220 IonicContact NZ-OE1 2.69Å; K216-E220 PolarHBondContact O-N 2.99Å
217E92.7Very high94.9Very high76 Ų7658.4 Ų58.436%0.35528%0.279SS..Hα-helixtrans-58.9-46.6-179.3-63.1162167.800110.8L214 K219 E220 L221L214-E217 HydrophobicContact CB-CB 4.46Å; L214-E217 HydrophobicContact CB-CG 4.05Å; L214-E217 VanDerWaalsContact CB-OE2 3.28Å; L214-E217 WeakPolarHBondContact CB-OE2 3.14Å; L214-E217 WeakPolarHBondContact CG-OE2 3.45Å; L214-E217 PolarHBondContact N-OE2 2.79Å; L214-E217 PolarHBondContact O-N 2.95Å; E217-K219 VanDerWaalsContact C-N 3.33Å; E217-K219 PolarHBondContact O-N 3.25Å; E217-E220 PolarHBondContact O-N 2.76Å; E217-L221 PolarHBondContact O-N 2.81Å
218L94.6Very high94.8Very high4 Ų455.8 Ų55.82%0.02127%0.267CS..Hα-helixtrans-65.8-35.1177.9-169.572.7000112.3L214 K216 L221 F222 I229 L257 L262 L263L214-L218 PolarHBondContact O-N 2.75Å; K216-L218 VanDerWaalsContact C-N 3.34Å; K216-L218 PolarHBondContact O-N 2.98Å; L218-L221 HydrophobicContact CD1-CD2 4.26Å; L218-L221 PolarHBondContact O-N 3.08Å; L218-F222 VanDerWaalsContact O-CB 3.31Å; L218-F222 WeakPolarHBondContact O-CB 3.43Å; L218-F222 PolarHBondContact O-N 3.05Å; L218-I229 HydrophobicContact CD1-CD1 3.96Å; L218-I229 HydrophobicContact CD1-CG2 4.22Å; L218-L257 HydrophobicContact CB-CD2 4.32Å; L218-L257 HydrophobicContact CD2-CB 4.29Å; L218-L257 HydrophobicContact CD2-CD2 3.85Å; L218-L257 HydrophobicContact CD2-CG 4.46Å; L218-L262 HydrophobicContact CD2-CB 3.66Å; L218-L262 HydrophobicContact CG-CB 4.22Å; L218-L263 HydrophobicContact CD1-CD2 4.17Å; L218-L263 HydrophobicContact CD2-CD1 4.39Å; L218-L263 HydrophobicContact CD2-CD2 3.55Å; L218-L263 HydrophobicContact CD2-CG 3.6Å; L218-L263 HydrophobicContact CG-CD2 4.46Å
219K95.5Very high94.9Very high127 Ų12753.2 Ų53.255%0.55225%0.251SS*.Hα-helixtrans-67-37.3174.8-177.1175179.7175.70112.3A215 K216 E217 T223 L262A215-K219 WeakPolarHBondContact O-CB 3.44Å; A215-K219 PolarHBondContact O-N 3.02Å; K216-K219 WeakPolarHBondContact O-CB 3.47Å; K216-K219 PolarHBondContact O-N 3.28Å; K216-K219 VanDerWaalsContact O-N 3.16Å; E217-K219 VanDerWaalsContact C-N 3.33Å; E217-K219 PolarHBondContact O-N 3.25Å; K219-T223 WeakPolarHBondContact O-CB 3.25Å; K219-T223 PolarHBondContact O-N 3.21Å; K219-T223 PolarHBondContact O-OG1 2.84Å; K219-L262 HydrophobicContact CB-CD1 4.12Å; K219-L262 HydrophobicContact CB-CD2 3.88Å; K219-L262 HydrophobicContact CD-CD2 4.5Å; K219-L262 HydrophobicContact CG-CD2 4.03Å
220E94.8Very high94.9Very high90 Ų9052.1 Ų52.142%0.42125%0.245SC..Hα-helixtrans-63.4-46.4172.7-69.4-179.5-147.800110.6K216 E217 T223 F224K216-E220 WeakPolarHBondContact CE-OE1 3.15Å; K216-E220 IonicContact NZ-OE1 2.69Å; K216-E220 PolarHBondContact O-N 2.99Å; E217-E220 PolarHBondContact O-N 2.76Å; E220-T223 PolarHBondContact O-N 3.23Å; E220-F224 WeakPolarHBondContact O-CB 3.18Å; E220-F224 PolarHBondContact O-N 2.89Å
221L95.6Very high95.1Very high7 Ų752.1 Ų52.14%0.03724%0.244CC..Hα-helixtrans-60.9-45.5174.7178.468.2000112.9T182 W203 E217 L218 T223 F224 L225 I229T182-L221 HydrophobicContact CG2-CD1 3.42Å; T182-L221 VanDerWaalsContact CG2-CD1 3.42Å; W203-L221 HydrophobicContact CB-CD2 4.46Å; W203-L221 HydrophobicContact CD2-CD2 3.54Å; W203-L221 HydrophobicContact CE3-CD2 4.19Å; W203-L221 HydrophobicContact CG-CD2 3.65Å; W203-L221 HydrophobicContact CH2-CD1 4.17Å; W203-L221 HydrophobicContact CZ2-CD1 4.17Å; W203-L221 HydrophobicContact CZ2-CD2 3.94Å; W203-L221 HydrophobicContact CZ3-CD1 4.4Å; E217-L221 PolarHBondContact O-N 2.81Å; L218-L221 HydrophobicContact CD1-CD2 4.26Å; L218-L221 PolarHBondContact O-N 3.08Å; L221-T223 VanDerWaalsContact C-N 3.34Å; L221-T223 PolarHBondContact O-N 3.03Å; L221-F224 PolarHBondContact O-N 2.98Å; L221-L225 HydrophobicContact CD1-CD1 3.73Å; L221-L225 HydrophobicContact CD1-CG 3.83Å; L221-L225 HydrophobicContact CD2-CD1 4.48Å; L221-L225 HydrophobicContact CG-CD1 3.9Å; L221-L225 HydrophobicContact CG-CG 4.27Å; L221-L225 WeakPolarHBondContact O-CB 3.45Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.99Å; L221-I229 HydrophobicContact CB-CD1 4.38Å; L221-I229 HydrophobicContact CD2-CD1 3.85Å; L221-I229 HydrophobicContact CG-CD1 3.83Å
222F94.9Very high95.3Very high60 Ų6048 Ų4826%0.26323%0.226SC..Hα-helixtrans-61.3-42.4178179.9-99.1000111.7L218 F224 Q226 I229L218-F222 VanDerWaalsContact O-CB 3.31Å; L218-F222 WeakPolarHBondContact O-CB 3.43Å; L218-F222 PolarHBondContact O-N 3.05Å; F222-F224 VanDerWaalsContact C-N 3.31Å; F222-F224 PolarHBondContact O-N 3.06Å; F222-Q226 PolarHBondContact O-N 2.82Å; F222-I229 HydrophobicContact CB-CD1 3.92Å; F222-I229 HydrophobicContact CD2-CD1 4.3Å; F222-I229 HydrophobicContact CD2-CG1 4.44Å
223T95Very high95.5Very high89 Ų8942.9 Ų42.955%0.54621%0.207SC..Hα-helixtrans-65.8-34.4176.6-52.50000112K219 E220 L221 Q226K219-T223 WeakPolarHBondContact O-CB 3.25Å; K219-T223 PolarHBondContact O-N 3.21Å; K219-T223 PolarHBondContact O-OG1 2.84Å; E220-T223 PolarHBondContact O-N 3.23Å; L221-T223 VanDerWaalsContact C-N 3.34Å; L221-T223 PolarHBondContact O-N 3.03Å; T223-Q226 WeakPolarHBondContact O-CG 3.22Å
224F95.5Very high95.7Very high57 Ų5743.2 Ų43.225%0.2521%0.209CC..Hα-helixtrans-76-43.4177.7175.7-101.2000112.9T182 L188 A189 A192 E220 L221 F222T182-F224 HydrophobicContact CG2-CD1 4.5Å; L188-F224 HydrophobicContact CB-CE1 3.82Å; A189-F224 HydrophobicContact CB-CZ 4.08Å; A192-F224 WeakPolarHBondContact CB-O 3.46Å; E220-F224 WeakPolarHBondContact O-CB 3.18Å; E220-F224 PolarHBondContact O-N 2.89Å; L221-F224 PolarHBondContact O-N 2.98Å; F222-F224 VanDerWaalsContact C-N 3.31Å; F222-F224 PolarHBondContact O-N 3.06Å
225L95.4Very high95.9Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-76.5-39.6-179.1-70.6-178000113.2A192 V201 L221 H227 I229A192-L225 HydrophobicContact CB-CD2 4.28Å; V201-L225 HydrophobicContact CB-CD1 4.17Å; V201-L225 HydrophobicContact CG1-CD1 3.95Å; V201-L225 HydrophobicContact CG2-CD1 4.46Å; L221-L225 HydrophobicContact CD1-CD1 3.73Å; L221-L225 HydrophobicContact CD1-CG 3.83Å; L221-L225 HydrophobicContact CD2-CD1 4.48Å; L221-L225 HydrophobicContact CG-CD1 3.9Å; L221-L225 HydrophobicContact CG-CG 4.27Å; L221-L225 WeakPolarHBondContact O-CB 3.45Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.99Å; L225-H227 PolarHBondContact O-CD2 3.34Å; L225-H227 VanDerWaalsContact O-CD2 3.22Å; L225-H227 PolarHBondContact O-N 3.45Å; L225-I229 HydrophobicContact CD1-CD1 4.37Å; L225-I229 HydrophobicContact CD1-CG1 4.28Å
226Q94.1Very high96Very high141 Ų14139.9 Ų39.966%0.65919%0.189SC*.  trans60.617.7-172.6-50.4-173.6700114.8F222 T223F222-Q226 PolarHBondContact O-N 2.82Å; T223-Q226 WeakPolarHBondContact O-CG 3.22Å
227H95.5Very high96.1Very high4 Ų434 Ų342%0.01917%0.165CC..SBendtrans-112.5153.5172.1-74.6-91.1000111.1L195 T196 I199 V201 L225 I229L195-H227 PolarHBondContact O-CE1 3.29Å; L195-H227 PolarHBondContact O-NE2 3.36Å; T196-H227 PolarHBondContact O-CE1 3.37Å; I199-H227 PolarHBondContact O-ND1 2.93Å; V201-H227 HydrophobicContact CG2-CB 3.79Å; L225-H227 PolarHBondContact O-CD2 3.34Å; L225-H227 VanDerWaalsContact O-CD2 3.22Å; L225-H227 PolarHBondContact O-N 3.45Å; H227-I229 PolarHBondContact O-N 2.83Å
228P94.6Very high96Very high25 Ų2530.6 Ų30.616%0.16215%0.149CC..  trans-58.3134.1166.4-20.633000110.7F9 A200 V201F9-P228 HydrophobicContact CD1-CG 3.54Å; F9-P228 HydrophobicContact CE1-CG 3.55Å; F9-P228 HydrophobicContact CG-CG 4.16Å; F9-P228 HydrophobicContact CZ-CG 4.17Å; A200-P228 CarbonylContact C-O 3.54Å; A200-P228 VanDerWaalsContact CA-O 3.25Å; A200-P228 WeakPolarHBondContact CA-O 3.45Å; A200-P228 HydrophobicContact CB-CB 4.05Å; A200-P228 WeakPolarHBondContact CB-O 3.41Å; V201-P228 PolarHBondContact N-O 3.39Å
229I97.5Very high95.8Very high0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-101.7129.7179-59.2168.9000109.6V201 W203 L218 L221 F222 L225 H227 L263 G264V201-I229 WeakPolarHBondContact O-CA 3.33Å; W203-I229 HydrophobicContact CB-CG2 3.8Å; L218-I229 HydrophobicContact CD1-CD1 3.96Å; L218-I229 HydrophobicContact CD1-CG2 4.22Å; L221-I229 HydrophobicContact CB-CD1 4.38Å; L221-I229 HydrophobicContact CD2-CD1 3.85Å; L221-I229 HydrophobicContact CG-CD1 3.83Å; F222-I229 HydrophobicContact CB-CD1 3.92Å; F222-I229 HydrophobicContact CD2-CD1 4.3Å; F222-I229 HydrophobicContact CD2-CG1 4.44Å; L225-I229 HydrophobicContact CD1-CD1 4.37Å; L225-I229 HydrophobicContact CD1-CG1 4.28Å; H227-I229 PolarHBondContact O-N 2.83Å; I229-L263 HydrophobicContact CB-CD2 4.13Å; I229-L263 HydrophobicContact CG2-CD2 3.86Å; I229-L263 CarbonylContact O-C 3.41Å; I229-L263 WeakPolarHBondContact O-CA 3.31Å; I229-G264 PolarHBondContact O-N 3.32Å
230V98.4Very high95.5Very high3 Ų330.8 Ų30.82%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-108.2120.3169.1177.20000108.4L15 L167 A200 V201 I202 W203 W232 L267L15-V230 HydrophobicContact CD1-CG2 4.34Å; L167-V230 HydrophobicContact CD2-CG2 3.96Å; A200-V230 HydrophobicContact CB-CG2 4.15Å; V201-V230 PolarHBondContact O-N 3.09Å; I202-V230 WeakPolarHBondContact CA-O 3.44Å; W203-V230 PolarHBondContact N-O 3.15Å; V230-W232 PolarHBondContact O-N 3.44Å; V230-L267 HydrophobicContact CG1-CD1 3.89Å; V230-L267 HydrophobicContact CG1-CG 3.96Å
231L98.4Very high94.7Very high0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-77.6108.9178.7-169.572.6000109.4W203 D233 R253 L263 G265 V266 L267W203-L231 CarbonylContact O-C 3.51Å; W203-L231 VanDerWaalsContact O-CA 3.31Å; W203-L231 WeakPolarHBondContact O-CA 3.41Å; L231-D233 HydrophobicContact CD2-CB 4.19Å; L231-D233 VanDerWaalsContact CD2-OD2 3.28Å; L231-D233 WeakPolarHBondContact CD2-OD2 3.35Å; L231-D233 HydrophobicContact CG-CB 4.19Å; L231-D233 PolarHBondContact O-N 3.43Å; L231-R253 HydrophobicContact CD2-CG 4.26Å; L231-L263 HydrophobicContact CB-CD1 4.04Å; L231-L263 HydrophobicContact CB-CD2 3.99Å; L231-L263 HydrophobicContact CD2-CD1 4.38Å; L231-G265 PolarHBondContact N-O 2.83Å; L231-V266 HydrophobicContact CB-CG2 4.17Å; L231-V266 HydrophobicContact CD2-CG1 4.44Å; L231-V266 HydrophobicContact CD2-CG2 4.25Å; L231-V266 WeakPolarHBondContact O-CA 3.5Å; L231-L267 PolarHBondContact O-N 2.96Å
232W98.5Very high93.4Very high13 Ų1335.1 Ų35.15%0.04917%0.17CC..EExtended strand (participates in β ladder)trans-79.7103.6163177.2-49.8000106.6V19 L48 A50 L126 I202 W203 T204 V230 N234 L267V19-W232 HydrophobicContact CG1-CD2 3.95Å; V19-W232 HydrophobicContact CG1-CE3 4.41Å; V19-W232 HydrophobicContact CG1-CG 4.24Å; V19-W232 HydrophobicContact CG1-CZ2 4.29Å; V19-W232 HydrophobicContact CG2-CD2 4.37Å; V19-W232 HydrophobicContact CG2-CE3 4.11Å; V19-W232 HydrophobicContact CG2-CH2 3.67Å; V19-W232 HydrophobicContact CG2-CZ2 3.94Å; V19-W232 HydrophobicContact CG2-CZ3 3.77Å; L48-W232 HydrophobicContact CD2-CE3 4.1Å; L48-W232 HydrophobicContact CD2-CZ3 3.98Å; A50-W232 HydrophobicContact CB-CH2 3.97Å; A50-W232 HydrophobicContact CB-CZ3 4.33Å; L126-W232 HydrophobicContact CD1-CH2 4.22Å; L126-W232 HydrophobicContact CD1-CZ3 4.03Å; L126-W232 HydrophobicContact CD2-CZ3 4.32Å; I202-W232 HydrophobicContact CD1-CE3 4.4Å; I202-W232 HydrophobicContact CG2-CB 3.53Å; I202-W232 HydrophobicContact CG2-CD2 4.49Å; I202-W232 HydrophobicContact CG2-CE3 4.09Å; I202-W232 HydrophobicContact CG2-CG 4.36Å; W203-W232 PolarHBondContact O-N 2.97Å; T204-W232 WeakPolarHBondContact CA-O 3.48Å; T204-W232 HydrophobicContact CG2-CB 4.21Å; T204-W232 HydrophobicContact CG2-CG 4.36Å; T204-W232 WeakPolarHBondContact CG2-O 3.49Å; V230-W232 PolarHBondContact O-N 3.44Å; W232-N234 PolarHBondContact NE1-OD1 3.36Å; W232-L267 CarbonylContact C-O 3.59Å; W232-L267 WeakPolarHBondContact CA-O 3.49Å
233D98.5Very high92.5Very high0 Ų041.9 Ų41.90%019%0.194CC..EExtended strand (participates in β ladder)trans-101.9103-167.8-154-27.1000112.1L231 L235 Y250 R253 V266 L267 T268 N269L231-D233 HydrophobicContact CD2-CB 4.19Å; L231-D233 VanDerWaalsContact CD2-OD2 3.28Å; L231-D233 WeakPolarHBondContact CD2-OD2 3.35Å; L231-D233 HydrophobicContact CG-CB 4.19Å; L231-D233 PolarHBondContact O-N 3.43Å; D233-L235 PolarHBondContact O-N 3.04Å; D233-L235 WeakPolarHBondContact OD1-CB 3.24Å; D233-L235 PolarHBondContact OD1-N 3.14Å; D233-Y250 HydrophobicContact CB-CE2 4.4Å; D233-Y250 VanDerWaalsContact OD2-CE2 3.23Å; D233-Y250 WeakPolarHBondContact OD2-CE2 3.34Å; D233-Y250 PolarHBondContact OD2-OH 3.18Å; D233-R253 IonicContact OD1-CZ 3.62Å; D233-R253 IonicContact OD1-NE 3.83Å; D233-R253 PolarHBondContact OD1-NE 3.43Å; D233-R253 IonicContact OD1-NH2 2.78Å; D233-R253 PolarHBondContact OD1-NH2 2.67Å; D233-R253 IonicContact OD2-CZ 3.32Å; D233-R253 IonicContact OD2-NE 3.75Å; D233-R253 PolarHBondContact OD2-NE 2.83Å; D233-R253 IonicContact OD2-NH2 3.3Å; D233-V266 HydrophobicContact CB-CG1 4.18Å; D233-L267 PolarHBondContact N-O 3.04Å; D233-T268 WeakPolarHBondContact O-CA 3.4Å; D233-T268 PolarHBondContact O-OG1 3.3Å; D233-N269 PolarHBondContact O-N 2.93Å
234N98.1Very high91.8Very high11 Ų1140.8 Ų40.86%0.05918%0.179CC..G310 helixtrans-8215.1178.6-63.7-56.3000113.6V208 V209 W232 H236 V237 N269V208-N234 WeakPolarHBondContact O-CB 3.31Å; V208-N234 PolarHBondContact O-ND2 3.49Å; V209-N234 HydrophobicContact CG2-CB 4.06Å; W232-N234 PolarHBondContact NE1-OD1 3.36Å; N234-H236 PolarHBondContact O-N 3.35Å; N234-V237 HydrophobicContact CB-CB 4.28Å; N234-V237 HydrophobicContact CB-CG1 3.8Å; N234-V237 PolarHBondContact O-N 2.88Å; N234-V237 VanDerWaalsContact O-N 3.14Å; N234-N269 VanDerWaalsContact OD1-CB 3.25Å; N234-N269 WeakPolarHBondContact OD1-CB 3.34Å; N234-N269 PolarHBondContact OD1-ND2 3.43Å
235L97.6Very high91.1Very high4 Ų439.7 Ų39.72%0.02118%0.178CC..G310 helixtrans-53.2-28-178.7179.362.5000113.9D233 Y250 S251 L439 P440D233-L235 PolarHBondContact O-N 3.04Å; D233-L235 WeakPolarHBondContact OD1-CB 3.24Å; D233-L235 PolarHBondContact OD1-N 3.14Å; L235-Y250 HydrophobicContact CD2-CD2 3.83Å; L235-Y250 HydrophobicContact CD2-CE2 4.22Å; L235-Y250 HydrophobicContact CD2-CG 4.46Å; L235-S251 WeakPolarHBondContact CD2-O 3.46Å; L235-L439 HydrophobicContact CD1-CD2 4.4Å; L235-L439 HydrophobicContact CG-CD2 4.33Å; L235-P440 WeakPolarHBondContact O-CD 3.39Å; L235-P440 WeakPolarHBondContact O-CG 3.19Å
236H97Very high90.8Very high0 Ų039.9 Ų39.90%018%0.178CC..G310 helixtrans-113.55.9-177.7-71.5100.9000114N234 G248 P270 N271 A280N234-H236 PolarHBondContact O-N 3.35Å; H236-G248 PolarHBondContact NE2-O 2.9Å; H236-P270 HydrophobicContact CB-CB 4.3Å; H236-P270 CarbonylContact O-C 3.35Å; H236-N271 PolarHBondContact O-N 3.21Å; H236-N271 PolarHBondContact O-OD1 3.3Å; H236-A280 HydrophobicContact CB-CB 4.05Å
237V96Very high90.4Very high4 Ų433.1 Ų33.12%0.02415%0.147CC..  trans-73.4142.1179.686.90000110.9F22 V209 N234 D239 Y240 F246 N269F22-V237 HydrophobicContact CB-CG2 4.11Å; V209-V237 HydrophobicContact CG2-CG1 4.25Å; N234-V237 HydrophobicContact CB-CB 4.28Å; N234-V237 HydrophobicContact CB-CG1 3.8Å; N234-V237 PolarHBondContact O-N 2.88Å; N234-V237 VanDerWaalsContact O-N 3.14Å; V237-D239 WeakPolarHBondContact CG2-OD1 3.25Å; V237-Y240 HydrophobicContact CG1-CD1 3.91Å; V237-Y240 HydrophobicContact CG1-CE1 3.74Å; V237-Y240 WeakPolarHBondContact O-CE1 3.32Å; V237-F246 WeakPolarHBondContact O-CD2 3.41Å; V237-F246 WeakPolarHBondContact O-CE2 3.38Å; V237-N269 WeakPolarHBondContact CB-O 3.46Å; V237-N269 WeakPolarHBondContact CG2-ND2 3.28Å; V237-N269 PolarHBondContact N-O 2.81Å
238N90.5Very high90.1Very high4 Ų433 Ų332%0.02115%0.146CC..  trans-127.22178.970.6-26.4000115Y240 D241 R244 F246 N271 C272 E273N238-Y240 PolarHBondContact O-N 3.04Å; N238-D241 CarbonylContact O-C 3.17Å; N238-D241 PolarHBondContact O-N 3.38Å; N238-R244 VanDerWaalsContact CB-O 3.27Å; N238-R244 WeakPolarHBondContact CB-O 3.46Å; N238-R244 PolarHBondContact ND2-O 3.37Å; N238-F246 HydrophobicContact CB-CD2 4.12Å; N238-F246 HydrophobicContact CB-CE2 3.92Å; N238-N271 WeakPolarHBondContact OD1-CA 3.42Å; N238-C272 PolarHBondContact OD1-N 3.28Å; N238-E273 PolarHBondContact ND2-OE2 3.07Å
239D90.7Very high90.2Very high30 Ų3031.8 Ų31.816%0.1614%0.138CC..THydrogen-bonded Turntrans-59.4-20.6-178.461.8-3.8000114.6F22 Y23 F24 V237F22-D239 VanDerWaalsContact CA-OD2 3.27Å; F22-D239 WeakPolarHBondContact CA-OD2 3.22Å; F22-D239 HydrophobicContact CB-CB 4.2Å; F22-D239 WeakPolarHBondContact CB-OD2 3.38Å; Y23-D239 PolarHBondContact N-OD2 2.94Å; F24-D239 HydrophobicContact CD2-CB 4.21Å; F24-D239 HydrophobicContact CE2-CB 4.19Å; F24-D239 WeakPolarHBondContact CE2-O 3.23Å; V237-D239 WeakPolarHBondContact CG2-OD1 3.25Å
240Y88.1Confident90.2Very high104 Ų10431.8 Ų31.841%0.40814%0.138SC..THydrogen-bonded Turntrans-78.5-14.2173.763.7-97.8000115.2V209 V237 N238 F246V209-Y240 HydrophobicContact CG2-CD1 4.48Å; V209-Y240 HydrophobicContact CG2-CE1 4.1Å; V237-Y240 HydrophobicContact CG1-CD1 3.91Å; V237-Y240 HydrophobicContact CG1-CE1 3.74Å; V237-Y240 WeakPolarHBondContact O-CE1 3.32Å; N238-Y240 PolarHBondContact O-N 3.04Å; Y240-F246 VanDerWaalsContact OH-CE2 3.31Å; Y240-F246 WeakPolarHBondContact OH-CE2 3.48Å; Y240-F246 VanDerWaalsContact OH-CZ 3.26Å; Y240-F246 WeakPolarHBondContact OH-CZ 3.49Å
241D80Confident90Very high41 Ų4132.1 Ų32.122%0.21914%0.141CC..  trans-155.4101.3172.9-171.2-13.9000111.2N238 R243 R244N238-D241 CarbonylContact O-C 3.17Å; N238-D241 PolarHBondContact O-N 3.38Å; D241-R243 PolarHBondContact O-N 2.84Å; D241-R243 WeakPolarHBondContact OD1-CB 3.28Å; D241-R243 IonicContact OD1-CZ 2.8Å; D241-R243 PolarHBondContact OD1-N 3.32Å; D241-R243 VanDerWaalsContact OD1-N 3.16Å; D241-R243 IonicContact OD1-NE 3.23Å; D241-R243 PolarHBondContact OD1-NE 3.09Å; D241-R243 IonicContact OD1-NH2 3.53Å; D241-R243 PolarHBondContact OD1-NH2 3.33Å; D241-R243 IonicContact OD2-CZ 3.37Å; D241-R243 IonicContact OD2-NE 2.68Å; D241-R243 IonicContact OD2-NH2 3.51Å; D241-R243 PolarHBondContact OD2-NH2 3.49Å; D241-R244 HydrophobicContact CB-CG 4.07Å; D241-R244 PolarHBondContact O-N 3.25Å
242Q67.8Low89.8Confident147 Ų14732.4 Ų32.469%0.68714%0.143SC*.THydrogen-bonded Turntrans-58.3-7-177.7-65.4178.4-14.500115.1F24F24-Q242 HydrophobicContact CE2-CG 3.92Å; F24-Q242 HydrophobicContact CZ-CG 4.19Å
243R75Confident89.7Confident202 Ų20232.1 Ų32.176%0.76214%0.142SC*.THydrogen-bonded Turntrans-93.6-3.2175.7-55167.3-61.4157.89.5112.9D241D241-R243 PolarHBondContact O-N 2.84Å; D241-R243 WeakPolarHBondContact OD1-CB 3.28Å; D241-R243 IonicContact OD1-CZ 2.8Å; D241-R243 PolarHBondContact OD1-N 3.32Å; D241-R243 VanDerWaalsContact OD1-N 3.16Å; D241-R243 IonicContact OD1-NE 3.23Å; D241-R243 PolarHBondContact OD1-NE 3.09Å; D241-R243 IonicContact OD1-NH2 3.53Å; D241-R243 PolarHBondContact OD1-NH2 3.33Å; D241-R243 IonicContact OD2-CZ 3.37Å; D241-R243 IonicContact OD2-NE 2.68Å; D241-R243 IonicContact OD2-NH2 3.51Å; D241-R243 PolarHBondContact OD2-NH2 3.49Å
244R81.2Confident89.6Confident66 Ų6633.2 Ų33.225%0.24915%0.15CC..  trans-108.5145.7-179.9-54.1-16981-169.77.9110.7N238 D241 F246 P440N238-R244 VanDerWaalsContact CB-O 3.27Å; N238-R244 WeakPolarHBondContact CB-O 3.46Å; N238-R244 PolarHBondContact ND2-O 3.37Å; D241-R244 HydrophobicContact CB-CG 4.07Å; D241-R244 PolarHBondContact O-N 3.25Å; R244-F246 HydrophobicContact CB-CE1 4.28Å; R244-F246 HydrophobicContact CB-CE2 4.06Å; R244-F246 HydrophobicContact CB-CZ 3.64Å; R244-F246 HydrophobicContact CG-CZ 4.35Å; R244-P440 PolarHBondContact NH1-O 2.69Å; R244-P440 VanDerWaalsContact NH1-O 3.11Å; R244-P440 PolarHBondContact NH2-O 3.47Å
245V79.7Confident89.4Confident35 Ų3532.8 Ų32.821%0.21215%0.147CC..  trans-140.1147.1167.9-178.10000106.4I247 N271 A276 F437V245-I247 HydrophobicContact CG1-CD1 4.15Å; V245-I247 HydrophobicContact CG1-CG1 3.96Å; V245-N271 WeakPolarHBondContact CA-OD1 3.44Å; V245-A276 HydrophobicContact CG1-CB 3.64Å; V245-F437 HydrophobicContact CB-CD1 4.24Å; V245-F437 WeakPolarHBondContact O-CB 3.36Å
246F88.8Confident89.2Confident3 Ų332.9 Ų32.91%0.01315%0.149CC..  trans-123.9110-175.5-56.6-63.1000111.4V237 N238 Y240 R244 N271 F437 L439 P440V237-F246 WeakPolarHBondContact O-CD2 3.41Å; V237-F246 WeakPolarHBondContact O-CE2 3.38Å; N238-F246 HydrophobicContact CB-CD2 4.12Å; N238-F246 HydrophobicContact CB-CE2 3.92Å; Y240-F246 VanDerWaalsContact OH-CE2 3.31Å; Y240-F246 WeakPolarHBondContact OH-CE2 3.48Å; Y240-F246 VanDerWaalsContact OH-CZ 3.26Å; Y240-F246 WeakPolarHBondContact OH-CZ 3.49Å; R244-F246 HydrophobicContact CB-CE1 4.28Å; R244-F246 HydrophobicContact CB-CE2 4.06Å; R244-F246 HydrophobicContact CB-CZ 3.64Å; R244-F246 HydrophobicContact CG-CZ 4.35Å; F246-N271 PolarHBondContact N-OD1 2.8Å; F246-N271 PolarHBondContact O-ND2 3.04Å; F246-F437 WeakPolarHBondContact CA-O 3.21Å; F246-L439 VanDerWaalsContact CD1-C 3.48Å; F246-P440 HydrophobicContact CD1-CG 4.07Å; F246-P440 HydrophobicContact CD2-CG 4.19Å; F246-P440 HydrophobicContact CE1-CB 4.2Å; F246-P440 HydrophobicContact CE1-CG 3.87Å; F246-P440 HydrophobicContact CE2-CG 4.01Å; F246-P440 HydrophobicContact CG-CG 4.21Å; F246-P440 HydrophobicContact CZ-CB 4.14Å; F246-P440 HydrophobicContact CZ-CG 3.83Å
247I86.1Confident89.1Confident0 Ų032.9 Ų32.90%015%0.149CC..  trans-119.7-1.8-174.6-49.4-176.4000109.9V245 V279 W358 F433 A434 F437 Y438V245-I247 HydrophobicContact CG1-CD1 4.15Å; V245-I247 HydrophobicContact CG1-CG1 3.96Å; I247-V279 HydrophobicContact CG2-CB 4.45Å; I247-V279 HydrophobicContact CG2-CG2 3.89Å; I247-V279 WeakPolarHBondContact O-CB 3.47Å; I247-V279 VanDerWaalsContact O-CG1 3.23Å; I247-V279 WeakPolarHBondContact O-CG1 3.21Å; I247-W358 HydrophobicContact CG2-CZ3 4.07Å; I247-F433 HydrophobicContact CD1-CD1 3.73Å; I247-F433 HydrophobicContact CD1-CE1 3.24Å; I247-F433 HydrophobicContact CD1-CZ 3.74Å; I247-A434 HydrophobicContact CB-CB 4.5Å; I247-A434 HydrophobicContact CG2-CB 4.05Å; I247-F437 HydrophobicContact CD1-CB 4.09Å; I247-F437 HydrophobicContact CG1-CB 4.15Å; I247-F437 PolarHBondContact N-O 3.02Å; I247-Y438 PolarHBondContact N-O 3.43Å
248G89Confident89Confident0 Ų034.1 Ų34.10%015%0.153CC..SBendtrans-66.7166.316900000113.4H236 Y438H236-G248 PolarHBondContact NE2-O 2.9Å; G248-Y438 WeakPolarHBondContact CA-O 3.18Å; G248-Y438 PolarHBondContact N-O 3.05Å
249P96.5Very high88.9Confident0 Ų037 Ų370%017%0.166CC..PPolyproline II helixtrans-75.2153-176.631.5-35.3000112.9S251 T283 P347 L351 Y438P249-S251 PolarHBondContact O-N 3.41Å; P249-T283 HydrophobicContact CB-CG2 3.98Å; P249-P347 HydrophobicContact CB-CB 3.96Å; P249-P347 WeakPolarHBondContact CB-O 3.13Å; P249-P347 HydrophobicContact CG-CB 3.54Å; P249-P347 WeakPolarHBondContact CG-O 3.5Å; P249-L351 HydrophobicContact CB-CB 4.12Å; P249-L351 HydrophobicContact CG-CB 4.2Å; P249-Y438 HydrophobicContact CG-CE2 4.33Å
250Y97.9Very high88.9Confident1 Ų139.4 Ų39.40%0.00418%0.175CC..PPolyproline II helixtrans-53.9126.4165.4-169.5-105.9000110.3D233 L235 R253 T283 L284 W287 Y345D233-Y250 HydrophobicContact CB-CE2 4.4Å; D233-Y250 VanDerWaalsContact OD2-CE2 3.23Å; D233-Y250 WeakPolarHBondContact OD2-CE2 3.34Å; D233-Y250 PolarHBondContact OD2-OH 3.18Å; L235-Y250 HydrophobicContact CD2-CD2 3.83Å; L235-Y250 HydrophobicContact CD2-CE2 4.22Å; L235-Y250 HydrophobicContact CD2-CG 4.46Å; Y250-R253 HydrophobicContact CE1-CB 4.01Å; Y250-R253 HydrophobicContact CE1-CG 4.3Å; Y250-R253 WeakPolarHBondContact OH-CD 3.43Å; Y250-R253 WeakPolarHBondContact OH-CG 3.34Å; Y250-T283 PolarHBondContact N-OG1 2.95Å; Y250-L284 HydrophobicContact CD1-CD1 4.04Å; Y250-L284 HydrophobicContact CD2-CB 4.39Å; Y250-L284 HydrophobicContact CD2-CD1 4.25Å; Y250-L284 HydrophobicContact CE1-CD1 3.81Å; Y250-L284 HydrophobicContact CE2-CD1 4.05Å; Y250-L284 HydrophobicContact CG-CB 4.24Å; Y250-L284 HydrophobicContact CG-CD1 4.26Å; Y250-W287 HydrophobicContact CD1-CB 3.89Å; Y250-W287 HydrophobicContact CD1-CD2 4.21Å; Y250-W287 AromaticContact CD1-CG 3.8Å; Y250-W287 HydrophobicContact CD1-CG 3.8Å; Y250-W287 HydrophobicContact CE1-CB 4.38Å; Y250-W287 AromaticContact CE1-CD2 3.77Å; Y250-W287 HydrophobicContact CE1-CD2 3.77Å; Y250-W287 HydrophobicContact CE1-CE3 4.15Å; Y250-W287 AromaticContact CE1-CG 3.85Å; Y250-W287 HydrophobicContact CE1-CG 3.85Å; Y250-Y345 VanDerWaalsContact O-CE1 3.28Å; Y250-Y345 WeakPolarHBondContact O-CE1 3.24Å; Y250-Y345 PolarHBondContact O-OH 3.46Å
251S95.1Very high89.1Confident10 Ų1036.7 Ų36.77%0.0718%0.179CC..  trans-156.2163.4-166.3-167.40000113.4L235 P249 R253L235-S251 WeakPolarHBondContact CD2-O 3.46Å; P249-S251 PolarHBondContact O-N 3.41Å; S251-R253 VanDerWaalsContact C-N 3.27Å; S251-R253 WeakPolarHBondContact O-CD 3.46Å; S251-R253 PolarHBondContact O-N 3.39Å; S251-R253 PolarHBondContact O-NH1 2.65Å; S251-R253 VanDerWaalsContact O-NH1 3.12Å
252G94.4Very high89.8Confident5 Ų535.3 Ų35.35%0.05217%0.171CC..SBendtrans75.96.8178.200000115.5R212 T213R212-G252 VanDerWaalsContact CA-O 3.22Å; R212-G252 WeakPolarHBondContact CA-O 3.37Å; R212-G252 WeakPolarHBondContact CB-O 3.36Å; T213-G252 PolarHBondContact N-O 3.06Å
253R96.5Very high91.2Very high7 Ų728.7 Ų28.73%0.02614%0.141CC..  trans-117.1107.2175.8-71.881.6175.7130.50.6107.8S210 K211 L231 D233 Y250 S251 L257 W287S210-R253 VanDerWaalsContact O-CZ 3.3Å; S210-R253 PolarHBondContact O-NH1 3.4Å; S210-R253 PolarHBondContact O-NH2 2.81Å; K211-R253 PolarHBondContact O-NH1 2.9Å; L231-R253 HydrophobicContact CD2-CG 4.26Å; D233-R253 IonicContact OD1-CZ 3.62Å; D233-R253 IonicContact OD1-NE 3.83Å; D233-R253 PolarHBondContact OD1-NE 3.43Å; D233-R253 IonicContact OD1-NH2 2.78Å; D233-R253 PolarHBondContact OD1-NH2 2.67Å; D233-R253 IonicContact OD2-CZ 3.32Å; D233-R253 IonicContact OD2-NE 3.75Å; D233-R253 PolarHBondContact OD2-NE 2.83Å; D233-R253 IonicContact OD2-NH2 3.3Å; Y250-R253 HydrophobicContact CE1-CB 4.01Å; Y250-R253 HydrophobicContact CE1-CG 4.3Å; Y250-R253 WeakPolarHBondContact OH-CD 3.43Å; Y250-R253 WeakPolarHBondContact OH-CG 3.34Å; S251-R253 VanDerWaalsContact C-N 3.27Å; S251-R253 WeakPolarHBondContact O-CD 3.46Å; S251-R253 PolarHBondContact O-N 3.39Å; S251-R253 PolarHBondContact O-NH1 2.65Å; S251-R253 VanDerWaalsContact O-NH1 3.12Å; R253-L257 HydrophobicContact CB-CD1 3.8Å; R253-L257 HydrophobicContact CG-CD1 3.9Å; R253-W287 HydrophobicContact CB-CZ2 4.35Å; R253-W287 PolarHBondContact O-NE1 3.21Å
254P95.1Very high92.2Very high24 Ų2420.3 Ų20.316%0.15612%0.117CC..  trans-67.6155-179.228.9-34.3000110.7T213 A215 A256 L257T213-P254 VanDerWaalsContact O-CD 3.3Å; T213-P254 WeakPolarHBondContact O-CD 3.29Å; A215-P254 HydrophobicContact CB-CG 4.39Å; P254-A256 PolarHBondContact O-N 3.36Å; P254-L257 HydrophobicContact CG-CD2 4.22Å; P254-L257 HydrophobicContact CG-CG 4.22Å; P254-L257 WeakPolarHBondContact O-CG 3.4Å; P254-L257 PolarHBondContact O-N 2.96Å; P254-L257 VanDerWaalsContact O-N 3.13Å
255L95.2Very high93Very high2 Ų217.2 Ų17.21%0.0111%0.105CC..THydrogen-bonded Turntrans-61.7-21.4-179.1-65.3174.8000112.5L257 R258 H259 W287 K290 A291 L294 E309 S343 Y345L255-L257 PolarHBondContact O-N 2.96Å; L255-R258 PolarHBondContact O-N 3.13Å; L255-H259 VanDerWaalsContact C-ND1 3.25Å; L255-H259 PolarHBondContact O-N 3.39Å; L255-H259 PolarHBondContact O-ND1 2.72Å; L255-H259 VanDerWaalsContact O-ND1 3.15Å; L255-W287 HydrophobicContact CD2-CG 4.16Å; L255-W287 WeakPolarHBondContact CD2-O 3.42Å; L255-K290 HydrophobicContact CD1-CB 4.25Å; L255-K290 HydrophobicContact CD2-CB 4.18Å; L255-A291 HydrophobicContact CB-CB 4.27Å; L255-A291 HydrophobicContact CD2-CB 3.88Å; L255-L294 HydrophobicContact CB-CD1 4.14Å; L255-L294 HydrophobicContact CD1-CD1 3.9Å; L255-E309 PolarHBondContact N-OE2 2.81Å; L255-S343 VanDerWaalsContact CD1-O 3.3Å; L255-S343 WeakPolarHBondContact CD1-O 3.42Å; L255-Y345 HydrophobicContact CD2-CG 4.49Å
256A92.8Very high93.9Very high6 Ų615.5 Ų15.55%0.0510%0.095CC..Hα-helixtrans-58.2-22.5175.300000114.6A215 P254 H259 K260A215-A256 HydrophobicContact CB-CB 3.8Å; P254-A256 PolarHBondContact O-N 3.36Å; A256-H259 VanDerWaalsContact CA-CE1 3.44Å; A256-H259 WeakPolarHBondContact CA-CE1 3.47Å; A256-H259 WeakPolarHBondContact CA-ND1 3.21Å; A256-H259 PolarHBondContact N-ND1 3.17Å; A256-K260 HydrophobicContact CB-CD 4.1Å; A256-K260 HydrophobicContact CB-CG 4.39Å; A256-K260 WeakPolarHBondContact O-CB 3.26Å; A256-K260 PolarHBondContact O-N 3.41Å
257L94.4Very high94.3Very high0 Ų015.5 Ų15.50%010%0.095CC..Hα-helixtrans-64.4-40.9176.2-54.5-171000111.8T213 A215 L218 R253 P254 L255 L262 L263 W287T213-L257 HydrophobicContact CG2-CD1 4.14Å; A215-L257 VanDerWaalsContact CA-CD2 3.5Å; A215-L257 HydrophobicContact CB-CD2 3.91Å; L218-L257 HydrophobicContact CB-CD2 4.32Å; L218-L257 HydrophobicContact CD2-CB 4.29Å; L218-L257 HydrophobicContact CD2-CD2 3.85Å; L218-L257 HydrophobicContact CD2-CG 4.46Å; R253-L257 HydrophobicContact CB-CD1 3.8Å; R253-L257 HydrophobicContact CG-CD1 3.9Å; P254-L257 HydrophobicContact CG-CD2 4.22Å; P254-L257 HydrophobicContact CG-CG 4.22Å; P254-L257 WeakPolarHBondContact O-CG 3.4Å; P254-L257 PolarHBondContact O-N 2.96Å; P254-L257 VanDerWaalsContact O-N 3.13Å; L255-L257 PolarHBondContact O-N 2.96Å; L257-L262 PolarHBondContact O-N 3.09Å; L257-L263 HydrophobicContact CB-CD1 3.81Å; L257-L263 HydrophobicContact CB-CG 4.24Å; L257-L263 HydrophobicContact CD1-CD1 4.33Å; L257-L263 PolarHBondContact O-N 3.44Å; L257-L263 VanDerWaalsContact O-N 3.14Å; L257-W287 HydrophobicContact CB-CH2 4.5Å; L257-W287 HydrophobicContact CB-CZ2 4.28Å
258R94.3Very high94.9Very high29 Ų2915.5 Ų15.511%0.10910%0.095CC..Hα-helixtrans-87-49.6174.5176.1170.5-170.4-156.7-9.9111.7F14 L255 K260 G261 W287 S288 A291 E292F14-R258 HydrophobicContact CD1-CG 4.44Å; F14-R258 HydrophobicContact CD2-CG 3.86Å; F14-R258 HydrophobicContact CE1-CG 4.23Å; F14-R258 HydrophobicContact CE2-CB 3.84Å; F14-R258 HydrophobicContact CE2-CG 3.58Å; F14-R258 HydrophobicContact CG-CG 4.27Å; F14-R258 VanDerWaalsContact CG-NE 3.33Å; F14-R258 HydrophobicContact CZ-CB 3.85Å; F14-R258 HydrophobicContact CZ-CG 3.79Å; L255-R258 PolarHBondContact O-N 3.13Å; R258-K260 VanDerWaalsContact C-N 3.26Å; R258-K260 PolarHBondContact O-N 2.95Å; R258-G261 PolarHBondContact O-N 3.04Å; R258-W287 HydrophobicContact CB-CH2 3.8Å; R258-W287 HydrophobicContact CB-CZ3 4.26Å; R258-S288 PolarHBondContact NH1-O 3.16Å; R258-S288 PolarHBondContact NH1-OG 3.06Å; R258-A291 HydrophobicContact CB-CB 3.73Å; R258-A291 HydrophobicContact CG-CB 3.93Å; R258-E292 IonicContact CZ-OE2 3.8Å; R258-E292 IonicContact NH1-OE2 3.71Å; R258-E292 PolarHBondContact NH1-OE2 2.81Å; R258-E292 VanDerWaalsContact NH2-CD 3.27Å; R258-E292 IonicContact NH2-OE2 3.19Å; R258-E292 PolarHBondContact NH2-OE2 3.09Å
259H89.4Confident95.4Very high64 Ų6415.7 Ų15.730%0.29610%0.096SC..Hα-helixtrans-70.6-17.5-169.682.5-119.7000114.9L255 A256 L294L255-H259 VanDerWaalsContact C-ND1 3.25Å; L255-H259 PolarHBondContact O-N 3.39Å; L255-H259 PolarHBondContact O-ND1 2.72Å; L255-H259 VanDerWaalsContact O-ND1 3.15Å; A256-H259 VanDerWaalsContact CA-CE1 3.44Å; A256-H259 WeakPolarHBondContact CA-CE1 3.47Å; A256-H259 WeakPolarHBondContact CA-ND1 3.21Å; A256-H259 PolarHBondContact N-ND1 3.17Å; H259-L294 HydrophobicContact CB-CB 3.88Å
260K90.7Very high95.4Very high81 Ų8115.7 Ų15.735%0.35210%0.096SC..THydrogen-bonded Turntrans-98.612.4173-56.5-175179.31640113.4A256 R258 L262 D306A256-K260 HydrophobicContact CB-CD 4.1Å; A256-K260 HydrophobicContact CB-CG 4.39Å; A256-K260 WeakPolarHBondContact O-CB 3.26Å; A256-K260 PolarHBondContact O-N 3.41Å; R258-K260 VanDerWaalsContact C-N 3.26Å; R258-K260 PolarHBondContact O-N 2.95Å; K260-L262 VanDerWaalsContact C-N 3.27Å; K260-L262 HydrophobicContact CB-CD1 4.49Å; K260-L262 HydrophobicContact CB-CG 4.17Å; K260-L262 PolarHBondContact O-N 2.75Å; K260-D306 IonicContact NZ-OD1 3.59Å; K260-D306 PolarHBondContact NZ-OD1 2.85Å; K260-D306 IonicContact NZ-OD2 3.55Å; K260-D306 PolarHBondContact NZ-OD2 3.38Å
261G92Very high95.1Very high47 Ų4715.6 Ų15.649%0.48510%0.096SC..THydrogen-bonded Turntrans66.321.1177.100000115.2R258 L263R258-G261 PolarHBondContact O-N 3.04Å; G261-L263 VanDerWaalsContact C-N 3.32Å
262L94.6Very high94.8Very high12 Ų1216 Ų166%0.06310%0.099CC..  trans-78.5-19-178-55.4178000112.8A215 L218 K219 L257 K260A215-L262 HydrophobicContact CB-CD1 4.05Å; A215-L262 VanDerWaalsContact O-CD1 3.32Å; A215-L262 WeakPolarHBondContact O-CD1 3.26Å; L218-L262 HydrophobicContact CD2-CB 3.66Å; L218-L262 HydrophobicContact CG-CB 4.22Å; K219-L262 HydrophobicContact CB-CD1 4.12Å; K219-L262 HydrophobicContact CB-CD2 3.88Å; K219-L262 HydrophobicContact CD-CD2 4.5Å; K219-L262 HydrophobicContact CG-CD2 4.03Å; L257-L262 PolarHBondContact O-N 3.09Å; K260-L262 VanDerWaalsContact C-N 3.27Å; K260-L262 HydrophobicContact CB-CD1 4.49Å; K260-L262 HydrophobicContact CB-CG 4.17Å; K260-L262 PolarHBondContact O-N 2.75Å
263L96.2Very high94.4Very high9 Ų920.3 Ų20.35%0.04712%0.117CC..  trans-117.5141.4171.8-69178.5000110.5F14 L218 I229 L231 L257 G261 V266F14-L263 WeakPolarHBondContact CD2-O 3.1Å; F14-L263 HydrophobicContact CE2-CB 3.75Å; F14-L263 VanDerWaalsContact CE2-O 3.27Å; F14-L263 WeakPolarHBondContact CE2-O 3.41Å; F14-L263 HydrophobicContact CZ-CB 4.18Å; L218-L263 HydrophobicContact CD1-CD2 4.17Å; L218-L263 HydrophobicContact CD2-CD1 4.39Å; L218-L263 HydrophobicContact CD2-CD2 3.55Å; L218-L263 HydrophobicContact CD2-CG 3.6Å; L218-L263 HydrophobicContact CG-CD2 4.46Å; I229-L263 HydrophobicContact CB-CD2 4.13Å; I229-L263 HydrophobicContact CG2-CD2 3.86Å; I229-L263 CarbonylContact O-C 3.41Å; I229-L263 WeakPolarHBondContact O-CA 3.31Å; L231-L263 HydrophobicContact CB-CD1 4.04Å; L231-L263 HydrophobicContact CB-CD2 3.99Å; L231-L263 HydrophobicContact CD2-CD1 4.38Å; L257-L263 HydrophobicContact CB-CD1 3.81Å; L257-L263 HydrophobicContact CB-CG 4.24Å; L257-L263 HydrophobicContact CD1-CD1 4.33Å; L257-L263 PolarHBondContact O-N 3.44Å; L257-L263 VanDerWaalsContact O-N 3.14Å; G261-L263 VanDerWaalsContact C-N 3.32Å; L263-V266 HydrophobicContact CD1-CG2 3.66Å
264G95.9Very high93.9Very high26 Ų2620.2 Ų20.227%0.26812%0.117SC..SBendtrans-86-10.1158.900000113.1L15 I229L15-G264 PolarHBondContact N-O 2.71Å; I229-G264 PolarHBondContact O-N 3.32Å
265G97.6Very high93.5Very high0 Ų023.4 Ų23.40%013%0.13CC..EExtended strand (participates in β ladder)trans179.7171174.100000116.2L15 L231L15-G265 CarbonylContact O-C 3.52Å; L15-G265 WeakPolarHBondContact O-CA 3.27Å; L231-G265 PolarHBondContact N-O 2.83Å
266V98.5Very high93Very high0 Ų024 Ų240%014%0.135CC..EExtended strand (participates in β ladder)trans-131.8122.3167179.70000109F14 L15 T16 G17 L231 D233 L263 L284 W287F14-V266 HydrophobicContact CZ-CG2 4.18Å; L15-V266 PolarHBondContact O-N 3.07Å; T16-V266 WeakPolarHBondContact CA-O 3.42Å; G17-V266 PolarHBondContact N-O 3.35Å; L231-V266 HydrophobicContact CB-CG2 4.17Å; L231-V266 HydrophobicContact CD2-CG1 4.44Å; L231-V266 HydrophobicContact CD2-CG2 4.25Å; L231-V266 WeakPolarHBondContact O-CA 3.5Å; D233-V266 HydrophobicContact CB-CG1 4.18Å; L263-V266 HydrophobicContact CD1-CG2 3.66Å; V266-L284 HydrophobicContact CB-CD1 4.2Å; V266-L284 HydrophobicContact CG1-CD1 3.69Å; V266-L284 HydrophobicContact CG1-CD2 4.32Å; V266-W287 HydrophobicContact CG2-CH2 3.92Å; V266-W287 HydrophobicContact CG2-CZ3 3.75Å
267L98.7Very high93.1Very high2 Ų223.7 Ų23.71%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-118108.5172.8-59.3176.4000107.9G17 V19 A46 L48 L167 V230 L231 W232 D233G17-L267 WeakPolarHBondContact O-CA 3.44Å; V19-L267 HydrophobicContact CB-CB 4.33Å; V19-L267 HydrophobicContact CG1-CB 4.34Å; A46-L267 HydrophobicContact CB-CD2 3.76Å; L48-L267 HydrophobicContact CB-CD1 3.93Å; L48-L267 HydrophobicContact CD2-CD1 3.86Å; L167-L267 HydrophobicContact CD1-CD1 4.23Å; V230-L267 HydrophobicContact CG1-CD1 3.89Å; V230-L267 HydrophobicContact CG1-CG 3.96Å; L231-L267 PolarHBondContact O-N 2.96Å; W232-L267 CarbonylContact C-O 3.59Å; W232-L267 WeakPolarHBondContact CA-O 3.49Å; D233-L267 PolarHBondContact N-O 3.04Å
268T98.5Very high93Very high0 Ų024.4 Ų24.40%014%0.136CC..EExtended strand (participates in β ladder)trans-76.2136.1178.3-173.10000111G17 V18 V19 D233 P270 F281 L284G17-T268 PolarHBondContact O-N 2.79Å; V18-T268 WeakPolarHBondContact CA-O 3.39Å; V18-T268 HydrophobicContact CG2-CG2 4.18Å; V19-T268 PolarHBondContact N-O 3.47Å; D233-T268 WeakPolarHBondContact O-CA 3.4Å; D233-T268 PolarHBondContact O-OG1 3.3Å; T268-P270 WeakPolarHBondContact O-CD 3.42Å; T268-F281 HydrophobicContact CG2-CD1 4.2Å; T268-F281 HydrophobicContact CG2-CE1 4.3Å; T268-L284 HydrophobicContact CG2-CD2 3.75Å
269N98.2Very high93Very high4 Ų423 Ų232%0.02113%0.131CC..  trans-101.1104167.1-168.132.4000106.6V19 G21 F22 D233 N234 V237V19-N269 HydrophobicContact CG1-CB 3.64Å; V19-N269 PolarHBondContact O-OD1 3.07Å; G21-N269 WeakPolarHBondContact CA-OD1 3.24Å; G21-N269 PolarHBondContact N-OD1 3.4Å; G21-N269 VanDerWaalsContact N-OD1 3.16Å; F22-N269 PolarHBondContact N-OD1 3.29Å; F22-N269 VanDerWaalsContact N-OD1 3.16Å; D233-N269 PolarHBondContact O-N 2.93Å; N234-N269 VanDerWaalsContact OD1-CB 3.25Å; N234-N269 WeakPolarHBondContact OD1-CB 3.34Å; N234-N269 PolarHBondContact OD1-ND2 3.43Å; V237-N269 WeakPolarHBondContact CB-O 3.46Å; V237-N269 WeakPolarHBondContact CG2-ND2 3.28Å; V237-N269 PolarHBondContact N-O 2.81Å
270P96.7Very high93.4Very high0 Ų020 Ų200%012%0.117CC..  trans-100.4-163.7-165.644.2-40.4000111.2V18 W27 H236 T268 N277 F281V18-P270 HydrophobicContact CG1-CG 4.33Å; W27-P270 HydrophobicContact CH2-CG 3.64Å; W27-P270 HydrophobicContact CZ2-CG 3.87Å; H236-P270 HydrophobicContact CB-CB 4.3Å; H236-P270 CarbonylContact O-C 3.35Å; T268-P270 WeakPolarHBondContact O-CD 3.42Å; P270-N277 HydrophobicContact CB-CB 4.2Å; P270-N277 WeakPolarHBondContact CB-OD1 3.42Å; P270-N277 HydrophobicContact CG-CB 4.49Å; P270-F281 HydrophobicContact CB-CE1 4.14Å; P270-F281 HydrophobicContact CG-CE1 3.89Å; P270-F281 HydrophobicContact CG-CZ 4.14Å
271N92.2Very high93.8Very high0 Ų016.2 Ų16.20%010%0.1CC..  trans-64.6151.6177.4-47.5-91.7000110.9H236 N238 V245 F246 E273 N277H236-N271 PolarHBondContact O-N 3.21Å; H236-N271 PolarHBondContact O-OD1 3.3Å; N238-N271 WeakPolarHBondContact OD1-CA 3.42Å; V245-N271 WeakPolarHBondContact CA-OD1 3.44Å; F246-N271 PolarHBondContact N-OD1 2.8Å; F246-N271 PolarHBondContact O-ND2 3.04Å; N271-E273 PolarHBondContact O-N 3.08Å; N271-N277 WeakPolarHBondContact CA-OD1 3.47Å; N271-N277 WeakPolarHBondContact CB-OD1 3.31Å; N271-N277 PolarHBondContact N-OD1 3.17Å; N271-N277 PolarHBondContact ND2-OD1 3.04Å; N271-N277 PolarHBondContact O-ND2 3.08Å
272C88.8Confident94Very high19 Ų1914.5 Ų14.513%0.1288%0.08CC..SBendtrans-57.4-37.3170.9-61.40000111.4W27 N238 F274W27-C272 PolarHBondContact NE1-O 3.42Å; N238-C272 PolarHBondContact OD1-N 3.28Å; C272-F274 PolarHBondContact O-N 2.84Å
273E86Confident94.2Very high95 Ų9514 Ų1444%0.4448%0.077SC..SBendtrans-73.493-178.1-67.461.5-129.600111.4N238 N271 E275 A276 N277N238-E273 PolarHBondContact ND2-OE2 3.07Å; N271-E273 PolarHBondContact O-N 3.08Å; E273-E275 VanDerWaalsContact C-N 3.26Å; E273-E275 PolarHBondContact O-N 3.19Å; E273-A276 HydrophobicContact CB-CB 4.15Å; E273-A276 WeakPolarHBondContact O-CB 3.18Å; E273-A276 PolarHBondContact O-N 3.1Å; E273-N277 PolarHBondContact O-ND2 2.8Å
274F86.3Confident94.3Very high4 Ų413.5 Ų13.52%0.0187%0.074CC..THydrogen-bonded Turntrans-42.4-42.7-172.9178.3-107.7000116.2W27 Q31 Q34 L35 R38 C272 N277W27-F274 HydrophobicContact CD2-CD2 4.04Å; W27-F274 AromaticContact CE2-CD2 4Å; W27-F274 HydrophobicContact CE3-CD2 4.44Å; W27-F274 HydrophobicContact CG-CD2 4.41Å; W27-F274 HydrophobicContact CZ2-CD2 4.36Å; Q31-F274 HydrophobicContact CB-CD1 4Å; Q31-F274 HydrophobicContact CB-CD2 4.13Å; Q31-F274 HydrophobicContact CB-CE1 4.24Å; Q31-F274 HydrophobicContact CB-CE2 4.39Å; Q31-F274 HydrophobicContact CB-CG 3.93Å; Q31-F274 HydrophobicContact CB-CZ 4.44Å; Q31-F274 HydrophobicContact CG-CB 4.28Å; Q31-F274 HydrophobicContact CG-CD1 3.81Å; Q31-F274 HydrophobicContact CG-CE1 4.36Å; Q31-F274 HydrophobicContact CG-CG 3.99Å; Q31-F274 WeakPolarHBondContact O-CE2 3.42Å; Q31-F274 WeakPolarHBondContact O-CZ 3.18Å; Q34-F274 HydrophobicContact CB-CE1 4.2Å; Q34-F274 HydrophobicContact CB-CZ 4.11Å; Q34-F274 HydrophobicContact CG-CE1 4.17Å; Q34-F274 HydrophobicContact CG-CZ 4.26Å; L35-F274 HydrophobicContact CB-CE2 3.87Å; L35-F274 HydrophobicContact CB-CZ 4.25Å; L35-F274 HydrophobicContact CD1-CE2 4.15Å; R38-F274 VanDerWaalsContact NH1-CE1 3.34Å; C272-F274 PolarHBondContact O-N 2.84Å; F274-N277 WeakPolarHBondContact O-CB 3.45Å
275E86.5Confident94.4Very high91 Ų9112.3 Ų12.343%0.4256%0.062SC..THydrogen-bonded Turntrans-78.9-23.7-176.9-68.2-59.5150.900114.1R38 E273 N277 W358R38-E275 IonicContact CZ-OE1 3.32Å; R38-E275 IonicContact CZ-OE2 3.44Å; R38-E275 VanDerWaalsContact NH1-CD 3.29Å; R38-E275 IonicContact NH1-OE1 2.79Å; R38-E275 PolarHBondContact NH1-OE1 3.34Å; R38-E275 VanDerWaalsContact NH1-OE1 3.16Å; R38-E275 IonicContact NH1-OE2 2.71Å; R38-E275 PolarHBondContact NH1-OE2 2.82Å; R38-E275 IonicContact NH2-OE1 2.8Å; R38-E275 IonicContact NH2-OE2 2.69Å; R38-E275 PolarHBondContact NH2-OE2 3.04Å; E273-E275 VanDerWaalsContact C-N 3.26Å; E273-E275 PolarHBondContact O-N 3.19Å; E275-N277 PolarHBondContact O-N 3Å; E275-W358 WeakPolarHBondContact O-CZ2 3.44Å
276A85.7Confident94.4Very high15 Ų1513.1 Ų13.112%0.1247%0.066CC..THydrogen-bonded Turntrans-65.5-21.817400000112.1V245 E273 Y278V245-A276 HydrophobicContact CG1-CB 3.64Å; E273-A276 HydrophobicContact CB-CB 4.15Å; E273-A276 WeakPolarHBondContact O-CB 3.18Å; E273-A276 PolarHBondContact O-N 3.1Å; A276-Y278 VanDerWaalsContact C-N 3.26Å; A276-Y278 PolarHBondContact O-N 3.46Å
277N94.1Very high94.4Very high0 Ų013.1 Ų13.10%07%0.066CC..THydrogen-bonded Turntrans-78.1-2.5-173.4-60.6-33.3000114.7W27 P270 N271 E273 F274 E275 V279 A280 F281W27-N277 WeakPolarHBondContact CZ2-ND2 3.42Å; P270-N277 HydrophobicContact CB-CB 4.2Å; P270-N277 WeakPolarHBondContact CB-OD1 3.42Å; P270-N277 HydrophobicContact CG-CB 4.49Å; N271-N277 WeakPolarHBondContact CA-OD1 3.47Å; N271-N277 WeakPolarHBondContact CB-OD1 3.31Å; N271-N277 PolarHBondContact N-OD1 3.17Å; N271-N277 PolarHBondContact ND2-OD1 3.04Å; N271-N277 PolarHBondContact O-ND2 3.08Å; E273-N277 PolarHBondContact O-ND2 2.8Å; F274-N277 WeakPolarHBondContact O-CB 3.45Å; E275-N277 PolarHBondContact O-N 3Å; N277-V279 VanDerWaalsContact C-N 3.28Å; N277-V279 PolarHBondContact O-N 2.86Å; N277-A280 PolarHBondContact O-N 2.99Å; N277-A280 VanDerWaalsContact O-N 3.13Å; N277-F281 HydrophobicContact CB-CD1 4.42Å; N277-F281 HydrophobicContact CB-CD2 4.02Å; N277-F281 HydrophobicContact CB-CE1 3.92Å; N277-F281 HydrophobicContact CB-CE2 3.47Å; N277-F281 VanDerWaalsContact CB-CE2 3.47Å; N277-F281 HydrophobicContact CB-CG 4.47Å; N277-F281 HydrophobicContact CB-CZ 3.42Å; N277-F281 VanDerWaalsContact CB-CZ 3.42Å; N277-F281 VanDerWaalsContact O-CD2 3.31Å; N277-F281 WeakPolarHBondContact O-CD2 3.37Å; N277-F281 WeakPolarHBondContact O-CG 3.23Å; N277-F281 PolarHBondContact O-N 3.09Å
278Y92.5Very high94.3Very high15 Ų1513.2 Ų13.26%0.0597%0.066CC..Hα-helixtrans-55.7-43.2-177-172.5-89.4000112.5M42 A276 H282 A354 W358 L361M42-Y278 HydrophobicContact CE-CD2 3.98Å; M42-Y278 HydrophobicContact CE-CE1 4.3Å; M42-Y278 HydrophobicContact CE-CE2 3.44Å; M42-Y278 VanDerWaalsContact CE-CE2 3.44Å; A276-Y278 VanDerWaalsContact C-N 3.26Å; A276-Y278 PolarHBondContact O-N 3.46Å; Y278-H282 HydrophobicContact CE1-CB 4.32Å; Y278-H282 AromaticContact CE1-CD2 3.72Å; Y278-H282 AromaticContact CZ-CD2 3.95Å; Y278-H282 VanDerWaalsContact O-CB 3.25Å; Y278-H282 WeakPolarHBondContact O-CB 3.46Å; Y278-H282 PolarHBondContact O-N 2.74Å; Y278-A354 WeakPolarHBondContact CE1-O 3.47Å; Y278-W358 HydrophobicContact CD1-CB 3.44Å; Y278-W358 VanDerWaalsContact CD1-CB 3.44Å; Y278-W358 AromaticContact CD1-CD1 3.59Å; Y278-W358 HydrophobicContact CD1-CD2 4.23Å; Y278-W358 AromaticContact CD1-CG 3.47Å; Y278-W358 HydrophobicContact CD1-CG 3.47Å; Y278-W358 VanDerWaalsContact CD1-CG 3.47Å; Y278-W358 AromaticContact CD2-CD1 3.96Å; Y278-W358 HydrophobicContact CE1-CB 3.61Å; Y278-W358 HydrophobicContact CE1-CG 4.09Å; Y278-W358 HydrophobicContact CG-CB 4.24Å; Y278-W358 AromaticContact CG-CD1 3.43Å; Y278-W358 VanDerWaalsContact CG-CD1 3.43Å; Y278-W358 HydrophobicContact CG-CD2 4.41Å; Y278-W358 AromaticContact CG-CG 3.8Å; Y278-W358 HydrophobicContact CG-CG 3.8Å; Y278-W358 AromaticContact CG-NE1 3.85Å; Y278-L361 HydrophobicContact CD2-CD1 4.28Å; Y278-L361 HydrophobicContact CE2-CD1 3.32Å; Y278-L361 WeakPolarHBondContact OH-CD1 3.28Å
279V94.9Very high94.1Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-68.6-42.8177.3-178.70000111.8I247 N277 F281 H282 T283 L351 A354 L355 W358I247-V279 HydrophobicContact CG2-CB 4.45Å; I247-V279 HydrophobicContact CG2-CG2 3.89Å; I247-V279 WeakPolarHBondContact O-CB 3.47Å; I247-V279 VanDerWaalsContact O-CG1 3.23Å; I247-V279 WeakPolarHBondContact O-CG1 3.21Å; N277-V279 VanDerWaalsContact C-N 3.28Å; N277-V279 PolarHBondContact O-N 2.86Å; V279-F281 VanDerWaalsContact C-N 3.33Å; V279-F281 PolarHBondContact O-N 3.26Å; V279-H282 PolarHBondContact O-N 3.41Å; V279-T283 HydrophobicContact CG1-CG2 3.74Å; V279-T283 WeakPolarHBondContact O-CB 3.19Å; V279-T283 WeakPolarHBondContact O-CG2 3.5Å; V279-T283 PolarHBondContact O-N 2.87Å; V279-T283 PolarHBondContact O-OG1 2.99Å; V279-L351 HydrophobicContact CG1-CD1 3.55Å; V279-L351 HydrophobicContact CG2-CD1 4.4Å; V279-A354 HydrophobicContact CG1-CB 4.13Å; V279-A354 HydrophobicContact CG2-CB 4.39Å; V279-L355 HydrophobicContact CG2-CD2 3.67Å; V279-W358 HydrophobicContact CG2-CE3 4.35Å
280A97Very high93.8Very high1 Ų119.3 Ų19.31%0.0089%0.09CC..Hα-helixtrans-56.8-47.9177.900000111.2H236 N277 L284H236-A280 HydrophobicContact CB-CB 4.05Å; N277-A280 PolarHBondContact O-N 2.99Å; N277-A280 VanDerWaalsContact O-N 3.13Å; A280-L284 VanDerWaalsContact O-CB 3.26Å; A280-L284 WeakPolarHBondContact O-CB 3.46Å; A280-L284 PolarHBondContact O-N 2.96Å; A280-L284 VanDerWaalsContact O-N 3.09Å
281F98.1Very high93.6Very high0 Ų019.3 Ų19.30%09%0.09CC..Hα-helixtrans-63.4-50.4176.7-61.4-23.3000112.6V18 W27 L35 M42 M44 T268 P270 N277 V279 A285V18-F281 HydrophobicContact CB-CE1 4.26Å; V18-F281 HydrophobicContact CG1-CE1 3.82Å; V18-F281 HydrophobicContact CG1-CZ 4.2Å; V18-F281 HydrophobicContact CG2-CD1 3.6Å; V18-F281 HydrophobicContact CG2-CE1 3.36Å; V18-F281 HydrophobicContact CG2-CZ 4.12Å; W27-F281 HydrophobicContact CH2-CZ 4.15Å; L35-F281 HydrophobicContact CD1-CD2 4.17Å; L35-F281 HydrophobicContact CD1-CE1 4.27Å; L35-F281 HydrophobicContact CD1-CE2 3.48Å; L35-F281 VanDerWaalsContact CD1-CE2 3.48Å; L35-F281 HydrophobicContact CD1-CZ 3.54Å; M42-F281 HydrophobicContact CE-CB 4.45Å; M42-F281 HydrophobicContact SD-CB 3.79Å; M44-F281 HydrophobicContact CE-CB 3.69Å; M44-F281 HydrophobicContact CE-CG 4.31Å; T268-F281 HydrophobicContact CG2-CD1 4.2Å; T268-F281 HydrophobicContact CG2-CE1 4.3Å; P270-F281 HydrophobicContact CB-CE1 4.14Å; P270-F281 HydrophobicContact CG-CE1 3.89Å; P270-F281 HydrophobicContact CG-CZ 4.14Å; N277-F281 HydrophobicContact CB-CD1 4.42Å; N277-F281 HydrophobicContact CB-CD2 4.02Å; N277-F281 HydrophobicContact CB-CE1 3.92Å; N277-F281 HydrophobicContact CB-CE2 3.47Å; N277-F281 VanDerWaalsContact CB-CE2 3.47Å; N277-F281 HydrophobicContact CB-CG 4.47Å; N277-F281 HydrophobicContact CB-CZ 3.42Å; N277-F281 VanDerWaalsContact CB-CZ 3.42Å; N277-F281 VanDerWaalsContact O-CD2 3.31Å; N277-F281 WeakPolarHBondContact O-CD2 3.37Å; N277-F281 WeakPolarHBondContact O-CG 3.23Å; N277-F281 PolarHBondContact O-N 3.09Å; V279-F281 VanDerWaalsContact C-N 3.33Å; V279-F281 PolarHBondContact O-N 3.26Å; F281-A285 WeakPolarHBondContact O-CB 3.32Å; F281-A285 PolarHBondContact O-N 3.42Å
282H98Very high93.4Very high12 Ų1223.8 Ų23.86%0.05611%0.111CC..Hα-helixtrans-65.6-43.5-176.2-168.7-49.6000111.7M42 Y278 V279 A285 Q286 A354 D357M42-H282 HydrophobicContact CE-CB 3.78Å; M42-H282 HydrophobicContact SD-CB 4.14Å; Y278-H282 HydrophobicContact CE1-CB 4.32Å; Y278-H282 AromaticContact CE1-CD2 3.72Å; Y278-H282 AromaticContact CZ-CD2 3.95Å; Y278-H282 VanDerWaalsContact O-CB 3.25Å; Y278-H282 WeakPolarHBondContact O-CB 3.46Å; Y278-H282 PolarHBondContact O-N 2.74Å; V279-H282 PolarHBondContact O-N 3.41Å; H282-A285 PolarHBondContact O-N 3.29Å; H282-Q286 PolarHBondContact CE1-NE2 3.48Å; H282-Q286 VanDerWaalsContact CE1-NE2 3.27Å; H282-Q286 PolarHBondContact ND1-NE2 3.49Å; H282-Q286 WeakPolarHBondContact O-CG 3.48Å; H282-Q286 PolarHBondContact O-N 2.86Å; H282-A354 HydrophobicContact CB-CB 3.83Å; H282-D357 IonicContact CD2-OD2 3.83Å; H282-D357 IonicContact CE1-OD2 2.9Å; H282-D357 IonicContact NE2-OD2 2.83Å; H282-D357 PolarHBondContact NE2-OD2 3.29Å
283T98.4Very high93.3Very high0 Ų029.1 Ų29.10%014%0.136CC..Hα-helixtrans-74.9-33.9-177.859.60000113.2P249 Y250 V279 Q286 W287 Y345 A350 A354P249-T283 HydrophobicContact CB-CG2 3.98Å; Y250-T283 PolarHBondContact N-OG1 2.95Å; V279-T283 HydrophobicContact CG1-CG2 3.74Å; V279-T283 WeakPolarHBondContact O-CB 3.19Å; V279-T283 WeakPolarHBondContact O-CG2 3.5Å; V279-T283 PolarHBondContact O-N 2.87Å; V279-T283 PolarHBondContact O-OG1 2.99Å; T283-Q286 PolarHBondContact O-N 3.15Å; T283-W287 PolarHBondContact O-N 2.93Å; T283-Y345 PolarHBondContact O-OH 3.45Å; T283-A350 HydrophobicContact CG2-CB 4.02Å; T283-A354 HydrophobicContact CG2-CB 3.88Å
284L98.4Very high93.2Very high0 Ų026.5 Ų26.50%013%0.125CC..Hα-helixtrans-60.5-44.8166.8172.560.8000111.3T16 M44 Y250 V266 T268 A280 Q286 W287 S288T16-L284 HydrophobicContact CG2-CD2 4.43Å; T16-L284 HydrophobicContact CG2-CG 4.14Å; M44-L284 HydrophobicContact SD-CD2 4.21Å; M44-L284 HydrophobicContact SD-CG 4.42Å; Y250-L284 HydrophobicContact CD1-CD1 4.04Å; Y250-L284 HydrophobicContact CD2-CB 4.39Å; Y250-L284 HydrophobicContact CD2-CD1 4.25Å; Y250-L284 HydrophobicContact CE1-CD1 3.81Å; Y250-L284 HydrophobicContact CE2-CD1 4.05Å; Y250-L284 HydrophobicContact CG-CB 4.24Å; Y250-L284 HydrophobicContact CG-CD1 4.26Å; V266-L284 HydrophobicContact CB-CD1 4.2Å; V266-L284 HydrophobicContact CG1-CD1 3.69Å; V266-L284 HydrophobicContact CG1-CD2 4.32Å; T268-L284 HydrophobicContact CG2-CD2 3.75Å; A280-L284 VanDerWaalsContact O-CB 3.26Å; A280-L284 WeakPolarHBondContact O-CB 3.46Å; A280-L284 PolarHBondContact O-N 2.96Å; A280-L284 VanDerWaalsContact O-N 3.09Å; L284-Q286 PolarHBondContact O-N 2.81Å; L284-W287 HydrophobicContact CD1-CE3 4.11Å; L284-W287 WeakPolarHBondContact O-CB 3.48Å; L284-W287 PolarHBondContact O-N 3.3Å; L284-S288 PolarHBondContact O-N 2.91Å
285A98Very high92.6Very high1 Ų129.7 Ų29.71%0.00815%0.147CC..Hα-helixtrans-65.3-38.6178.800000112.1M42 M44 F281 H282 S288 R289M42-A285 HydrophobicContact CB-CB 3.77Å; M42-A285 WeakPolarHBondContact O-CB 3.2Å; M44-A285 HydrophobicContact CG-CB 3.84Å; M44-A285 HydrophobicContact SD-CB 4.11Å; F281-A285 WeakPolarHBondContact O-CB 3.32Å; F281-A285 PolarHBondContact O-N 3.42Å; H282-A285 PolarHBondContact O-N 3.29Å; A285-S288 PolarHBondContact O-N 3.19Å; A285-R289 WeakPolarHBondContact O-CG 3.33Å; A285-R289 PolarHBondContact O-N 3.18Å; A285-R289 PolarHBondContact O-NH1 2.87Å
286Q97.5Very high91.7Very high16 Ų1630.6 Ų30.68%0.07516%0.158CC..Hα-helixtrans-61-42.9171-75.6-176.872.500112.8H282 T283 L284 K290 Y345 A350H282-Q286 PolarHBondContact CE1-NE2 3.48Å; H282-Q286 VanDerWaalsContact CE1-NE2 3.27Å; H282-Q286 PolarHBondContact ND1-NE2 3.49Å; H282-Q286 WeakPolarHBondContact O-CG 3.48Å; H282-Q286 PolarHBondContact O-N 2.86Å; T283-Q286 PolarHBondContact O-N 3.15Å; L284-Q286 PolarHBondContact O-N 2.81Å; Q286-K290 PolarHBondContact O-N 3.17Å; Q286-K290 VanDerWaalsContact O-N 3.12Å; Q286-Y345 HydrophobicContact CB-CE2 4.07Å; Q286-A350 PolarHBondContact NE2-O 3.1Å; Q286-A350 VanDerWaalsContact OE1-CA 3.3Å
287W97.5Very high90.5Very high1 Ų132.1 Ų32.10%0.00417%0.168CC..Hα-helixtrans-59.7-49.9175174.492.6000111.1F14 Y250 R253 L255 L257 R258 V266 T283 L284 R289 K290 A291 Y345F14-W287 HydrophobicContact CZ-CZ3 4.39Å; Y250-W287 HydrophobicContact CD1-CB 3.89Å; Y250-W287 HydrophobicContact CD1-CD2 4.21Å; Y250-W287 AromaticContact CD1-CG 3.8Å; Y250-W287 HydrophobicContact CD1-CG 3.8Å; Y250-W287 HydrophobicContact CE1-CB 4.38Å; Y250-W287 AromaticContact CE1-CD2 3.77Å; Y250-W287 HydrophobicContact CE1-CD2 3.77Å; Y250-W287 HydrophobicContact CE1-CE3 4.15Å; Y250-W287 AromaticContact CE1-CG 3.85Å; Y250-W287 HydrophobicContact CE1-CG 3.85Å; R253-W287 HydrophobicContact CB-CZ2 4.35Å; R253-W287 PolarHBondContact O-NE1 3.21Å; L255-W287 HydrophobicContact CD2-CG 4.16Å; L255-W287 WeakPolarHBondContact CD2-O 3.42Å; L257-W287 HydrophobicContact CB-CH2 4.5Å; L257-W287 HydrophobicContact CB-CZ2 4.28Å; R258-W287 HydrophobicContact CB-CH2 3.8Å; R258-W287 HydrophobicContact CB-CZ3 4.26Å; V266-W287 HydrophobicContact CG2-CH2 3.92Å; V266-W287 HydrophobicContact CG2-CZ3 3.75Å; T283-W287 PolarHBondContact O-N 2.93Å; L284-W287 HydrophobicContact CD1-CE3 4.11Å; L284-W287 WeakPolarHBondContact O-CB 3.48Å; L284-W287 PolarHBondContact O-N 3.3Å; W287-R289 PolarHBondContact O-N 3Å; W287-K290 PolarHBondContact O-N 3.11Å; W287-A291 PolarHBondContact O-N 3Å; W287-Y345 HydrophobicContact CB-CD2 3.94Å; W287-Y345 HydrophobicContact CB-CE1 4.37Å; W287-Y345 HydrophobicContact CB-CE2 3.67Å; W287-Y345 HydrophobicContact CB-CG 4.41Å; W287-Y345 AromaticContact CD1-CD1 3.91Å
288S96Very high88.3Confident3 Ų341.3 Ų41.32%0.02121%0.211CC..Hα-helixtrans-63-45.7-176.1-158.40000111.5T16 R258 L284 A285 K290 A291 E292T16-S288 PolarHBondContact OG1-OG 3.11Å; R258-S288 PolarHBondContact NH1-O 3.16Å; R258-S288 PolarHBondContact NH1-OG 3.06Å; L284-S288 PolarHBondContact O-N 2.91Å; A285-S288 PolarHBondContact O-N 3.19Å; S288-K290 PolarHBondContact O-N 3.22Å; S288-A291 PolarHBondContact O-N 3.26Å; S288-E292 PolarHBondContact O-N 3.18Å
289R94.3Very high86Confident94 Ų9447.1 Ų47.136%0.35524%0.243SC..Hα-helixtrans-63.2-37.6176.4-66.7-172.7-48.9-93.50.2113M42 A285 W287 E292 M293M42-R289 PolarHBondContact O-NH1 3.27Å; A285-R289 WeakPolarHBondContact O-CG 3.33Å; A285-R289 PolarHBondContact O-N 3.18Å; A285-R289 PolarHBondContact O-NH1 2.87Å; W287-R289 PolarHBondContact O-N 3Å; R289-E292 PolarHBondContact O-N 3.18Å; R289-M293 WeakPolarHBondContact O-CG 3.19Å; R289-M293 PolarHBondContact O-N 2.84Å
290K93.4Very high83.6Confident39 Ų3953 Ų5317%0.1727%0.269CS..Hα-helixtrans-66.9-36.1175.6-83.4-169.3170.5179.10112.3L255 Q286 W287 S288 V344 Y345 E349L255-K290 HydrophobicContact CD1-CB 4.25Å; L255-K290 HydrophobicContact CD2-CB 4.18Å; Q286-K290 PolarHBondContact O-N 3.17Å; Q286-K290 VanDerWaalsContact O-N 3.12Å; W287-K290 PolarHBondContact O-N 3.11Å; S288-K290 PolarHBondContact O-N 3.22Å; K290-V344 PolarHBondContact NZ-O 3.44Å; K290-Y345 HydrophobicContact CD-CD2 4.3Å; K290-E349 IonicContact NZ-OE1 2.87Å; K290-E349 PolarHBondContact NZ-OE1 2.66Å
291A91.3Very high80.6Confident0 Ų062 Ų620%031%0.31CS..Hα-helixtrans-69.7-34.5174.100000112.6L255 R258 W287 S288 L294 C295L255-A291 HydrophobicContact CB-CB 4.27Å; L255-A291 HydrophobicContact CD2-CB 3.88Å; R258-A291 HydrophobicContact CB-CB 3.73Å; R258-A291 HydrophobicContact CG-CB 3.93Å; W287-A291 PolarHBondContact O-N 3Å; S288-A291 PolarHBondContact O-N 3.26Å; A291-L294 WeakPolarHBondContact O-CB 3.49Å; A291-L294 PolarHBondContact O-N 2.77Å; A291-L294 VanDerWaalsContact O-N 3.15Å; A291-C295 PolarHBondContact O-N 3Å; A291-C295 VanDerWaalsContact O-N 3.14Å; A291-C295 PolarHBondContact O-SG 2.73Å
292E89.4Confident77.7Confident94 Ų9466.2 Ų66.244%0.43934%0.34SS..Hα-helixtrans-65.3-37.9176.4-162.6168.6144.300113.3R258 S288 R289 L294 C295 T296R258-E292 IonicContact CZ-OE2 3.8Å; R258-E292 IonicContact NH1-OE2 3.71Å; R258-E292 PolarHBondContact NH1-OE2 2.81Å; R258-E292 VanDerWaalsContact NH2-CD 3.27Å; R258-E292 IonicContact NH2-OE2 3.19Å; R258-E292 PolarHBondContact NH2-OE2 3.09Å; S288-E292 PolarHBondContact O-N 3.18Å; R289-E292 PolarHBondContact O-N 3.18Å; E292-L294 PolarHBondContact O-N 3.12Å; E292-C295 WeakPolarHBondContact O-CB 3.41Å; E292-C295 PolarHBondContact O-N 3.16Å; E292-C295 VanDerWaalsContact O-N 3.15Å; E292-T296 PolarHBondContact O-N 2.95Å; E292-T296 PolarHBondContact O-OG1 2.69Å
293M87.1Confident74.5Confident131 Ų13173.7 Ų73.765%0.64538%0.381SS*.Hα-helixtrans-63.5-25173-68.7174.3-177.500112.8R289 T296R289-M293 WeakPolarHBondContact O-CG 3.19Å; R289-M293 PolarHBondContact O-N 2.84Å; M293-T296 PolarHBondContact O-OG1 3.27Å
294L83.3Confident71.3Confident40 Ų4077.6 Ų77.621%0.20941%0.413CS..Hα-helixtrans-80.4-33.9171.8-73.5169000112.7L255 H259 A291 E292 T296 S297L255-L294 HydrophobicContact CB-CD1 4.14Å; L255-L294 HydrophobicContact CD1-CD1 3.9Å; H259-L294 HydrophobicContact CB-CB 3.88Å; A291-L294 WeakPolarHBondContact O-CB 3.49Å; A291-L294 PolarHBondContact O-N 2.77Å; A291-L294 VanDerWaalsContact O-N 3.15Å; E292-L294 PolarHBondContact O-N 3.12Å; L294-T296 PolarHBondContact O-N 3.16Å; L294-S297 PolarHBondContact O-OG 3.31Å
295C74Confident68.1Low71 Ų7181.3 Ų81.348%0.4844%0.439SS..Hα-helixtrans-61.5-23.5173.8-58.40000113.3A291 E292A291-C295 PolarHBondContact O-N 3Å; A291-C295 VanDerWaalsContact O-N 3.14Å; A291-C295 PolarHBondContact O-SG 2.73Å; E292-C295 WeakPolarHBondContact O-CB 3.41Å; E292-C295 PolarHBondContact O-N 3.16Å; E292-C295 VanDerWaalsContact O-N 3.15Å
296T67.6Low65.3Low110 Ų11086.5 Ų86.568%0.67547%0.466SS*.THydrogen-bonded Turntrans-105.11.3-170.344.40000113.8E292 M293 L294E292-T296 PolarHBondContact O-N 2.95Å; E292-T296 PolarHBondContact O-OG1 2.69Å; M293-T296 PolarHBondContact O-OG1 3.27Å; L294-T296 PolarHBondContact O-N 3.16Å
297S59.1Low62.7Low46 Ų4691 Ų9132%0.32249%0.491SS..  trans-103.4107.7173.559.30000110.9L294 D299L294-S297 PolarHBondContact O-OG 3.31Å; S297-D299 PolarHBondContact O-N 2.84Å; S297-D299 VanDerWaalsContact O-N 3.14Å
298E49.2Very low59.8Low194 Ų19496.5 Ų96.591%0.90752%0.52SS*.THydrogen-bonded Turntrans-71-4-175.4-58.5-177.1136.700114.3
299D43.1Very low57.1Low136 Ų136100 Ų10073%0.72754%0.537SS*.THydrogen-bonded Turntrans-10211.6-162.2-69-48000116.5S297S297-D299 PolarHBondContact O-N 2.84Å; S297-D299 VanDerWaalsContact O-N 3.14Å
300F45.8Very low54.1Low123 Ų123103.5 Ų103.554%0.53956%0.559SS.*  trans-111.430.8-168.9-97.1-75.2000117.8S302 Q340F300-S302 PolarHBondContact O-N 2.97Å; F300-S302 VanDerWaalsContact O-N 3.14Å; F300-Q340 HydrophobicContact CZ-CG 4.12Å
301E34Very low51.4Low190 Ų190104 Ų10489%0.88856%0.563SS**  trans-79.181.8164.1-69.8-158.6143.600112.5
302S36.5Very low48.6Very low90 Ų90108.5 Ų108.563%0.62959%0.59SS**SBendtrans176.6146.3142.742.50000116.4F300 A304F300-S302 PolarHBondContact O-N 2.97Å; F300-S302 VanDerWaalsContact O-N 3.14Å; S302-A304 PolarHBondContact O-N 3.22Å; S302-A304 VanDerWaalsContact O-N 3.07Å
303N30Very low45.8Very low169 Ų169107.9 Ų107.990%0.90459%0.59SS**  trans647.2148.6-60.3-21.8000121.1
304A32.4Very low43.1Very low82 Ų82103.5 Ų103.568%0.67858%0.578SS**  trans-73130161.500000110.3S302 D306S302-A304 PolarHBondContact O-N 3.22Å; S302-A304 VanDerWaalsContact O-N 3.07Å; A304-D306 PolarHBondContact O-N 3.35Å
305S31.5Very low40.6Very low78 Ų78108.5 Ų108.555%0.54560%0.604SS.*  trans-73114.1174.855.30000110.1D307 N308S305-D307 VanDerWaalsContact C-N 3.32Å; S305-D307 PolarHBondContact O-N 2.76Å; S305-D307 VanDerWaalsContact O-N 3.12Å; S305-N308 WeakPolarHBondContact O-CB 3.3Å; S305-N308 PolarHBondContact O-N 2.8Å; S305-N308 VanDerWaalsContact O-N 3.08Å; S305-N308 WeakPolarHBondContact OG-CB 3.46Å; S305-N308 PolarHBondContact OG-ND2 2.81Å
306D39Very low38.4Very low109 Ų109111.5 Ų111.558%0.58362%0.615SS**THydrogen-bonded Turntrans-70.7-15.2-151.1-122.29.1000117.1K260 A304K260-D306 IonicContact NZ-OD1 3.59Å; K260-D306 PolarHBondContact NZ-OD1 2.85Å; K260-D306 IonicContact NZ-OD2 3.55Å; K260-D306 PolarHBondContact NZ-OD2 3.38Å; A304-D306 PolarHBondContact O-N 3.35Å
307D42.9Very low36.5Very low110 Ų110116.4 Ų116.459%0.58862%0.623SS**THydrogen-bonded Turntrans-107.411.2178.1-64.6-60.3000112.9S305S305-D307 VanDerWaalsContact C-N 3.32Å; S305-D307 PolarHBondContact O-N 2.76Å; S305-D307 VanDerWaalsContact O-N 3.12Å
308N35.3Very low35Very low117 Ų117122 Ų12263%0.62664%0.643SS**  trans-115.528.9-165.8-1200.7000113.9S305 M310S305-N308 WeakPolarHBondContact O-CB 3.3Å; S305-N308 PolarHBondContact O-N 2.8Å; S305-N308 VanDerWaalsContact O-N 3.08Å; S305-N308 WeakPolarHBondContact OG-CB 3.46Å; S305-N308 PolarHBondContact OG-ND2 2.81Å; N308-M310 PolarHBondContact O-N 2.96Å
309E40.2Very low34Very low77 Ų77122.1 Ų122.136%0.3664%0.641SS.*  trans-61.1104.9155.2-84.5-162114.100107.1L255 I311L255-E309 PolarHBondContact N-OE2 2.81Å; E309-I311 VanDerWaalsContact C-N 3.3Å; E309-I311 PolarHBondContact O-N 2.92Å
310M30.9Very low33.5Very low167 Ų167121.8 Ų121.882%0.82365%0.649SS**  trans-7284.4-172.7-155.5176.9-167.800110.1N308 V312N308-M310 PolarHBondContact O-N 2.96Å; M310-V312 HydrophobicContact CG-CG2 4.08Å; M310-V312 PolarHBondContact O-N 3.31Å
311I37.9Very low32.7Very low51 Ų51119 Ų11926%0.26266%0.655SS.*  trans-69.788.9169.5-55-179.8000107.2E309 D313E309-I311 VanDerWaalsContact C-N 3.3Å; E309-I311 PolarHBondContact O-N 2.92Å; I311-D313 PolarHBondContact O-N 3.5Å
312V30.7Very low32.4Very low93 Ų93117.1 Ų117.156%0.56465%0.652SS**  trans-70.577.9171.6-177.40000108.2M310 G314M310-V312 HydrophobicContact CG-CG2 4.08Å; M310-V312 PolarHBondContact O-N 3.31Å; V312-G314 WeakPolarHBondContact CG1-O 3.31Å; V312-G314 PolarHBondContact O-N 2.94Å
313D31.8Very low32.4Very low81 Ų81120.7 Ų120.743%0.43366%0.662SS.*  trans-7157.5165.8-74.1-38.1000109.5R212 I311R212-D313 IonicContact CZ-OD2 2.72Å; R212-D313 IonicContact NE-OD2 2.68Å; R212-D313 IonicContact NH2-OD2 3.79Å; R212-D313 PolarHBondContact NH2-OD2 3.5Å; I311-D313 PolarHBondContact O-N 3.5Å
314G29.9Very low32.3Very low39 Ų39119.7 Ų119.740%0.40266%0.657SS.*SBendtrans124.8140.1176.200000115.7V312V312-G314 WeakPolarHBondContact CG1-O 3.31Å; V312-G314 PolarHBondContact O-N 2.94Å
315I31Very low32.4Very low146 Ų146124.2 Ų124.275%0.74966%0.664SS**  trans57.8101.1157.7-45173.9000116.8
316D28.6Very low32.4Very low133 Ų133129 Ų12971%0.71168%0.677SS**  -161.2147100.5-144.9-25.5000111.2
317Y26.9Very low32.2Very low214 Ų214129.6 Ų129.684%0.83969%0.687SS**  trans-144.444.8-179.3-121.3-66.9000112.5
318Q28.3Very low31.7Very low162 Ų162129.6 Ų129.676%0.75770%0.696SS**  trans-161.9163162.1-114.216166.500113.5
319K28.5Very low31.6Very low197 Ų197130 Ų13086%0.85770%0.702SS**  trans68.179.9168.9-61.6170.7-175.4168.50118.4
320S32.4Very low31.3Very low129 Ų129130.6 Ų130.690%0.90271%0.713SS**  -132.289.113055.30000109.7
321G28.2Very low31.6Very low64 Ų64131 Ų13166%0.6671%0.714SS**  trans-88.6159.5171.700000111.6
322D28.4Very low31.7Very low152 Ų152134.3 Ų134.381%0.81373%0.731SS**  trans55121.2165.9-56.2-36000119
323I35Very low32.1Very low164 Ų164133.7 Ų133.784%0.84173%0.725SS**  -164.3124.798.9-87.8147.9000107.7
324N29.1Very low32.3Very low149 Ų149133.1 Ų133.180%0.79773%0.727SS**  trans-81.5132.6160.8-73.8-63000108.3
325E33.3Very low32.7Very low177 Ų177134.9 Ų134.983%0.82773%0.729SS**  -175.1133.9126-103173.5-158.200113.8
326H32.2Very low33Very low177 Ų177132.4 Ų132.482%0.81972%0.718SS**  trans19.8144.6164.4-73.1-74.5000124.9
327P34.2Very low33.3Very low123 Ų123133.1 Ų133.180%0.79971%0.71SS**  trans-89.4130.2-171.935.4-34.6000114.7
328S33.1Very low33.7Very low110 Ų110130.1 Ų130.177%0.76970%0.702SS**  trans-154.2170.9149.968.30000110
329V32.5Very low34.3Very low125 Ų125129.9 Ų129.976%0.75869%0.694SS**SBendtrans83.3139.4-177.3-170.30000115.8
330C33.7Very low34.8Very low89 Ų89125.6 Ų125.660%0.60168%0.677SS**  trans-39.1148.8-166.6-580000119.7D332C330-D332 PolarHBondContact O-N 3.3Å
331Q37.2Very low35.2Very low177 Ų177127.5 Ų127.583%0.82767%0.666SS**SBendtrans-72.7-23.6179.5-69178.1-50.200114.2D333 C334Q331-D333 PolarHBondContact O-N 2.84Å; Q331-C334 WeakPolarHBondContact O-CB 3.43Å; Q331-C334 PolarHBondContact O-N 3.32Å
332D39.8Very low36.1Very low119 Ų119127.6 Ų127.664%0.63666%0.66SS**Hα-helixtrans-66.7-35.1-176.3-59.7-58.3000113.5C330 C334 V335 N336C330-D332 PolarHBondContact O-N 3.3Å; D332-C334 PolarHBondContact O-N 2.74Å; D332-C334 VanDerWaalsContact O-N 3.12Å; D332-V335 WeakPolarHBondContact O-CB 3.49Å; D332-V335 PolarHBondContact O-N 3.3Å; D332-N336 PolarHBondContact O-N 3.22Å
333D39.7Very low37.8Very low80 Ų80122.3 Ų122.343%0.42864%0.635SS.*Hα-helixtrans-64.8-17.8179-81.3-25.6000113.7Q331 R337Q331-D333 PolarHBondContact O-N 2.84Å; D333-R337 PolarHBondContact O-N 2.91Å; D333-R337 PolarHBondContact O-NE 3.22Å
334C36.1Very low40Very low69 Ų69116.8 Ų116.847%0.46661%0.609SS.*Hα-helixtrans-79.1-31.9173-170.90000111.6Q331 D332 K338Q331-C334 WeakPolarHBondContact O-CB 3.43Å; Q331-C334 PolarHBondContact O-N 3.32Å; D332-C334 PolarHBondContact O-N 2.74Å; D332-C334 VanDerWaalsContact O-N 3.12Å; C334-K338 WeakPolarHBondContact O-CB 3.26Å; C334-K338 WeakPolarHBondContact O-CG 3.36Å; C334-K338 PolarHBondContact O-N 3.43Å; C334-K338 VanDerWaalsContact O-N 3.09Å
335V39.5Very low43Very low76 Ų76110.7 Ų110.746%0.46158%0.575SS.*Hα-helixtrans-71.1-46.8178.4-175.80000110.4D332 K338 R339D332-V335 WeakPolarHBondContact O-CB 3.49Å; D332-V335 PolarHBondContact O-N 3.3Å; V335-K338 PolarHBondContact O-N 3.26Å; V335-R339 PolarHBondContact O-N 3.24Å
336N36.2Very low45.8Very low94 Ų94106.4 Ų106.450%0.50355%0.551SS.*Hα-helixtrans-65.4-40.5179.2-78.4-15.9000112.7D332 R339 Q340D332-N336 PolarHBondContact O-N 3.22Å; N336-R339 PolarHBondContact O-N 2.79Å; N336-Q340 PolarHBondContact O-N 2.93Å
337R35Very low48.7Very low148 Ų14899 Ų9956%0.55852%0.519SS*.Hα-helixtrans-63.2-41.1172.2-94.6177-84.2-152.8-8.3112.6D333 R339 Q340 Y341D333-R337 PolarHBondContact O-N 2.91Å; D333-R337 PolarHBondContact O-NE 3.22Å; R337-R339 VanDerWaalsContact C-N 3.32Å; R337-R339 PolarHBondContact O-N 2.78Å; R337-Q340 PolarHBondContact O-N 3.11Å; R337-Y341 WeakPolarHBondContact O-CD2 3.41Å; R337-Y341 PolarHBondContact O-N 3.49Å; R337-Y341 VanDerWaalsContact O-N 3.15Å
338K35.3Very low51.4Low152 Ų15296.1 Ų96.166%0.66149%0.492SS*.Hα-helixtrans-62.9-35.9174.7-78-179.8178-177.20112.9C334 V335 A342C334-K338 WeakPolarHBondContact O-CB 3.26Å; C334-K338 WeakPolarHBondContact O-CG 3.36Å; C334-K338 PolarHBondContact O-N 3.43Å; C334-K338 VanDerWaalsContact O-N 3.09Å; V335-K338 PolarHBondContact O-N 3.26Å; K338-A342 PolarHBondContact O-N 3.26Å
339R40.3Very low54.3Low157 Ų15794.5 Ų94.559%0.59247%0.472SS*.Hα-helixtrans-62.7-46.5171.6-73.7178.7171.4-169.2-4.3111.9V335 N336 R337 Y341 A342V335-R339 PolarHBondContact O-N 3.24Å; N336-R339 PolarHBondContact O-N 2.79Å; R337-R339 VanDerWaalsContact C-N 3.32Å; R337-R339 PolarHBondContact O-N 2.78Å; R339-Y341 PolarHBondContact O-N 3.42Å; R339-A342 PolarHBondContact O-N 3.19Å
340Q40.7Very low57.4Low107 Ų10788.6 Ų88.650%0.544%0.437SS..Hα-helixtrans-59.3-38.3177.7-83.5-177.9-3700113.9F300 N336 R337 A342 S343F300-Q340 HydrophobicContact CZ-CG 4.12Å; N336-Q340 PolarHBondContact O-N 2.93Å; R337-Q340 PolarHBondContact O-N 3.11Å; Q340-A342 VanDerWaalsContact C-N 3.35Å; Q340-S343 PolarHBondContact O-OG 2.9Å; Q340-S343 VanDerWaalsContact O-OG 3.12Å
341Y39.7Very low60.3Low169 Ų16984.4 Ų84.466%0.66341%0.408SS*.Hα-helixtrans-76.1-20.4179.1-82.6-79.3000114.3R337 R339 R346R337-Y341 WeakPolarHBondContact O-CD2 3.41Å; R337-Y341 PolarHBondContact O-N 3.49Å; R337-Y341 VanDerWaalsContact O-N 3.15Å; R339-Y341 PolarHBondContact O-N 3.42Å; Y341-R346 PolarHBondContact O-NH2 2.88Å
342A47.9Very low63Low66 Ų6681.2 Ų81.255%0.54539%0.389SS..Hα-helixtrans-82.2-27-176.300000114.1K338 R339 Q340 V344K338-A342 PolarHBondContact O-N 3.26Å; R339-A342 PolarHBondContact O-N 3.19Å; Q340-A342 VanDerWaalsContact C-N 3.35Å; A342-V344 PolarHBondContact O-N 3.5Å
343S62.6Low65.7Low41 Ų4178.6 Ų78.629%0.28737%0.374SS..SBendtrans-71.8-26.3-175.154.50000114.6L255 Q340L255-S343 VanDerWaalsContact CD1-O 3.3Å; L255-S343 WeakPolarHBondContact CD1-O 3.42Å; Q340-S343 PolarHBondContact O-OG 2.9Å; Q340-S343 VanDerWaalsContact O-OG 3.12Å
344V81.1Confident68.4Low48 Ų4874.8 Ų74.829%0.29135%0.354SS..  trans-73.7134-172.9-176.30000111.7K290 A342 R346K290-V344 PolarHBondContact NZ-O 3.44Å; A342-V344 PolarHBondContact O-N 3.5Å; V344-R346 HydrophobicContact CG1-CG 4.14Å
345Y92.8Very high71Confident20 Ų2071.5 Ų71.58%0.07833%0.331CS..  trans-87.4124.8168.9175-93.1000110.3Y250 L255 T283 Q286 W287 K290 P347 A350Y250-Y345 VanDerWaalsContact O-CE1 3.28Å; Y250-Y345 WeakPolarHBondContact O-CE1 3.24Å; Y250-Y345 PolarHBondContact O-OH 3.46Å; L255-Y345 HydrophobicContact CD2-CG 4.49Å; T283-Y345 PolarHBondContact O-OH 3.45Å; Q286-Y345 HydrophobicContact CB-CE2 4.07Å; W287-Y345 HydrophobicContact CB-CD2 3.94Å; W287-Y345 HydrophobicContact CB-CE1 4.37Å; W287-Y345 HydrophobicContact CB-CE2 3.67Å; W287-Y345 HydrophobicContact CB-CG 4.41Å; W287-Y345 AromaticContact CD1-CD1 3.91Å; K290-Y345 HydrophobicContact CD-CD2 4.3Å; Y345-P347 HydrophobicContact CD1-CG 4.4Å; Y345-P347 HydrophobicContact CE1-CB 4.43Å; Y345-P347 HydrophobicContact CE1-CG 3.96Å; Y345-A350 HydrophobicContact CE2-CB 3.67Å
346R93.3Very high73.6Confident88 Ų8874.9 Ų74.933%0.33234%0.336SS..  trans-118.8111.6-178.7-60.4-172.9-167.881.79.2109Y341 V344 R348 E349 A350Y341-R346 PolarHBondContact O-NH2 2.88Å; V344-R346 HydrophobicContact CG1-CG 4.14Å; R346-R348 VanDerWaalsContact C-N 3.33Å; R346-R348 PolarHBondContact O-N 3.32Å; R346-E349 HydrophobicContact CB-CB 3.75Å; R346-E349 WeakPolarHBondContact CD-OE2 3.45Å; R346-E349 IonicContact CZ-OE2 2.78Å; R346-E349 IonicContact NE-OE2 3.58Å; R346-E349 IonicContact NH1-OE2 2.71Å; R346-E349 PolarHBondContact NH1-OE2 2.7Å; R346-E349 WeakPolarHBondContact O-CB 3.49Å; R346-E349 PolarHBondContact O-N 3.49Å; R346-A350 PolarHBondContact O-N 3.03Å
347P93Very high76.4Confident22 Ų2272.1 Ų72.114%0.14332%0.321CS..Hα-helixtrans-55.9-40.6-173.4-27.132.8000114.3P249 Y345 A350 L351P249-P347 HydrophobicContact CB-CB 3.96Å; P249-P347 WeakPolarHBondContact CB-O 3.13Å; P249-P347 HydrophobicContact CG-CB 3.54Å; P249-P347 WeakPolarHBondContact CG-O 3.5Å; Y345-P347 HydrophobicContact CD1-CG 4.4Å; Y345-P347 HydrophobicContact CE1-CB 4.43Å; Y345-P347 HydrophobicContact CE1-CG 3.96Å; P347-A350 PolarHBondContact O-N 2.88Å; P347-L351 WeakPolarHBondContact O-CB 3.39Å; P347-L351 PolarHBondContact O-N 2.86Å
348R90.3Very high78.8Confident62 Ų6266 Ų6623%0.23430%0.298CS..Hα-helixtrans-71.7-29.2178.2-169.457.3173.9-150.28.1113.8R346 R352 E431 D435R346-R348 VanDerWaalsContact C-N 3.33Å; R346-R348 PolarHBondContact O-N 3.32Å; R348-R352 WeakPolarHBondContact O-CG 3.32Å; R348-R352 PolarHBondContact O-N 3.24Å; R348-E431 IonicContact CZ-OE2 3.43Å; R348-E431 IonicContact NE-OE2 3.47Å; R348-E431 IonicContact NH2-OE2 2.72Å; R348-E431 PolarHBondContact NH2-OE2 3.36Å; R348-D435 IonicContact CZ-OD1 3.51Å; R348-D435 IonicContact NH1-OD1 2.79Å; R348-D435 PolarHBondContact NH1-OD1 2.86Å; R348-D435 IonicContact NH2-OD1 2.7Å; R348-D435 PolarHBondContact NH2-OD1 2.79Å; R348-D435 IonicContact NH2-OD2 3.51Å
349E94.3Very high81Confident75 Ų7559.9 Ų59.935%0.3527%0.273SS..Hα-helixtrans-67-47.1171-169.5-169.6130.800109.4K290 R346 L351 R352 I353K290-E349 IonicContact NZ-OE1 2.87Å; K290-E349 PolarHBondContact NZ-OE1 2.66Å; R346-E349 HydrophobicContact CB-CB 3.75Å; R346-E349 WeakPolarHBondContact CD-OE2 3.45Å; R346-E349 IonicContact CZ-OE2 2.78Å; R346-E349 IonicContact NE-OE2 3.58Å; R346-E349 IonicContact NH1-OE2 2.71Å; R346-E349 PolarHBondContact NH1-OE2 2.7Å; R346-E349 WeakPolarHBondContact O-CB 3.49Å; R346-E349 PolarHBondContact O-N 3.49Å; E349-L351 PolarHBondContact O-N 3.16Å; E349-R352 PolarHBondContact O-N 2.95Å; E349-I353 WeakPolarHBondContact O-CG1 3.5Å; E349-I353 PolarHBondContact O-N 2.7Å
350A96.2Very high83Confident2 Ų254.4 Ų54.42%0.01726%0.261CS..Hα-helixtrans-63.2-41.2178.300000112.6T283 Q286 Y345 R346 P347 I353 A354T283-A350 HydrophobicContact CG2-CB 4.02Å; Q286-A350 PolarHBondContact NE2-O 3.1Å; Q286-A350 VanDerWaalsContact OE1-CA 3.3Å; Y345-A350 HydrophobicContact CE2-CB 3.67Å; R346-A350 PolarHBondContact O-N 3.03Å; P347-A350 PolarHBondContact O-N 2.88Å; A350-I353 PolarHBondContact O-N 2.9Å; A350-A354 WeakPolarHBondContact O-CB 3.45Å; A350-A354 PolarHBondContact O-N 3.31Å
351L95.2Very high84.8Confident0 Ų051.8 Ų51.80%025%0.25CC..Hα-helixtrans-55.9-51.2173.4178.564.1000111.3P249 V279 P347 E349 I353 A354 L355 A434 Y438P249-L351 HydrophobicContact CB-CB 4.12Å; P249-L351 HydrophobicContact CG-CB 4.2Å; V279-L351 HydrophobicContact CG1-CD1 3.55Å; V279-L351 HydrophobicContact CG2-CD1 4.4Å; P347-L351 WeakPolarHBondContact O-CB 3.39Å; P347-L351 PolarHBondContact O-N 2.86Å; E349-L351 PolarHBondContact O-N 3.16Å; L351-I353 VanDerWaalsContact C-N 3.31Å; L351-I353 PolarHBondContact O-N 3.08Å; L351-A354 CarbonylContact O-C 3.52Å; L351-A354 WeakPolarHBondContact O-CB 3.41Å; L351-A354 PolarHBondContact O-N 3.46Å; L351-L355 HydrophobicContact CD1-CD1 3.82Å; L351-L355 HydrophobicContact CD1-CD2 4.11Å; L351-L355 HydrophobicContact CD1-CG 3.78Å; L351-L355 HydrophobicContact CD2-CD1 4.26Å; L351-L355 HydrophobicContact CG-CD1 3.73Å; L351-L355 HydrophobicContact CG-CG 4.08Å; L351-L355 WeakPolarHBondContact O-CG 2.92Å; L351-L355 PolarHBondContact O-N 3.47Å; L351-A434 HydrophobicContact CD1-CB 4.18Å; L351-A434 HydrophobicContact CD2-CB 4.32Å; L351-Y438 HydrophobicContact CD2-CE2 4.07Å
352R94.5Very high86.3Confident110 Ų11047 Ų4742%0.41523%0.234SC..Hα-helixtrans-60.1-40.7-177.7-77.5-176.2163.2135.29112.9R348 E349 R356 E431R348-R352 WeakPolarHBondContact O-CG 3.32Å; R348-R352 PolarHBondContact O-N 3.24Å; E349-R352 PolarHBondContact O-N 2.95Å; R352-R356 VanDerWaalsContact O-CB 3.29Å; R352-R356 WeakPolarHBondContact O-CB 3.41Å; R352-R356 PolarHBondContact O-N 3.19Å; R352-R356 VanDerWaalsContact O-N 3.08Å; R352-E431 WeakPolarHBondContact CG-OE1 3.1Å; R352-E431 IonicContact CZ-OE1 2.75Å; R352-E431 IonicContact CZ-OE2 3.2Å; R352-E431 IonicContact NE-OE1 3.61Å; R352-E431 PolarHBondContact NE-OE1 3.29Å; R352-E431 IonicContact NE-OE2 3.73Å; R352-E431 PolarHBondContact NE-OE2 3.04Å; R352-E431 IonicContact NH2-OE1 3.2Å; R352-E431 PolarHBondContact NH2-OE1 3.46Å; R352-E431 IonicContact NH2-OE2 2.76Å; R352-E431 PolarHBondContact NH2-OE2 3.4Å
353I96.5Very high87.3Confident64 Ų6448.7 Ų48.733%0.32823%0.234SC..Hα-helixtrans-63.5-46.2174.5-60.9165.5000109.8E349 A350 L351 R356 D357E349-I353 WeakPolarHBondContact O-CG1 3.5Å; E349-I353 PolarHBondContact O-N 2.7Å; A350-I353 PolarHBondContact O-N 2.9Å; L351-I353 VanDerWaalsContact C-N 3.31Å; L351-I353 PolarHBondContact O-N 3.08Å; I353-R356 PolarHBondContact O-N 3.31Å; I353-D357 WeakPolarHBondContact O-CB 3.26Å; I353-D357 PolarHBondContact O-N 3.39Å
354A96.3Very high87.7Confident0 Ų052.5 Ų52.50%025%0.247CC..Hα-helixtrans-62.6-45.6179.200000113.1Y278 V279 H282 T283 A350 L351 D357 W358Y278-A354 WeakPolarHBondContact CE1-O 3.47Å; V279-A354 HydrophobicContact CG1-CB 4.13Å; V279-A354 HydrophobicContact CG2-CB 4.39Å; H282-A354 HydrophobicContact CB-CB 3.83Å; T283-A354 HydrophobicContact CG2-CB 3.88Å; A350-A354 WeakPolarHBondContact O-CB 3.45Å; A350-A354 PolarHBondContact O-N 3.31Å; L351-A354 CarbonylContact O-C 3.52Å; L351-A354 WeakPolarHBondContact O-CB 3.41Å; L351-A354 PolarHBondContact O-N 3.46Å; A354-D357 PolarHBondContact O-N 3.4Å; A354-W358 WeakPolarHBondContact O-CB 3.38Å; A354-W358 PolarHBondContact O-N 3.04Å
355L90.5Very high86.6Confident0 Ų053.3 Ų53.30%026%0.259CS..Hα-helixtrans-65.4-40.8178.8-64.1175.5000112V279 L351 W358 L359 L427 L430 E431 A434V279-L355 HydrophobicContact CG2-CD2 3.67Å; L351-L355 HydrophobicContact CD1-CD1 3.82Å; L351-L355 HydrophobicContact CD1-CD2 4.11Å; L351-L355 HydrophobicContact CD1-CG 3.78Å; L351-L355 HydrophobicContact CD2-CD1 4.26Å; L351-L355 HydrophobicContact CG-CD1 3.73Å; L351-L355 HydrophobicContact CG-CG 4.08Å; L351-L355 WeakPolarHBondContact O-CG 2.92Å; L351-L355 PolarHBondContact O-N 3.47Å; L355-W358 HydrophobicContact CD2-CE3 4.01Å; L355-W358 HydrophobicContact CD2-CZ3 4.35Å; L355-W358 WeakPolarHBondContact O-CB 3.44Å; L355-W358 PolarHBondContact O-N 2.83Å; L355-L359 WeakPolarHBondContact O-CB 3.46Å; L355-L359 PolarHBondContact O-N 3.35Å; L355-L427 HydrophobicContact CB-CD1 3.82Å; L355-L430 HydrophobicContact CB-CB 4.39Å; L355-L430 HydrophobicContact CD2-CB 4.28Å; L355-E431 HydrophobicContact CD1-CB 4.44Å; L355-E431 HydrophobicContact CD1-CG 3.84Å; L355-A434 HydrophobicContact CD1-CB 4.03Å; L355-A434 HydrophobicContact CD2-CB 4.18Å
356R94.7Very high84.1Confident148 Ų14855.7 Ų55.756%0.55829%0.29SS*.Hα-helixtrans-62.7-41.9175.2-172.1-153.871.3150.30.9112R352 I353 A360 L427R352-R356 VanDerWaalsContact O-CB 3.29Å; R352-R356 WeakPolarHBondContact O-CB 3.41Å; R352-R356 PolarHBondContact O-N 3.19Å; R352-R356 VanDerWaalsContact O-N 3.08Å; I353-R356 PolarHBondContact O-N 3.31Å; R356-A360 PolarHBondContact O-N 3.11Å; R356-A360 VanDerWaalsContact O-N 3.1Å; R356-L427 HydrophobicContact CB-CD1 4.22Å; R356-L427 HydrophobicContact CB-CD2 4.42Å
357D93.4Very high81.1Confident36 Ų3655.4 Ų55.419%0.19331%0.306CS..Hα-helixtrans-73.1-31.4178.5-64.7-5.4000111.5H282 I353 A354 A360 L361H282-D357 IonicContact CD2-OD2 3.83Å; H282-D357 IonicContact CE1-OD2 2.9Å; H282-D357 IonicContact NE2-OD2 2.83Å; H282-D357 PolarHBondContact NE2-OD2 3.29Å; I353-D357 WeakPolarHBondContact O-CB 3.26Å; I353-D357 PolarHBondContact O-N 3.39Å; A354-D357 PolarHBondContact O-N 3.4Å; D357-A360 PolarHBondContact O-N 2.88Å; D357-L361 PolarHBondContact O-N 2.74Å
358W86.7Confident78.4Confident20 Ų2058 Ų588%0.07632%0.324CS..Hα-helixtrans-66-46.5172.5-161.823.5000111.4I247 E275 Y278 V279 A354 L355 A360 L361 M362 L430 F433I247-W358 HydrophobicContact CG2-CZ3 4.07Å; E275-W358 WeakPolarHBondContact O-CZ2 3.44Å; Y278-W358 HydrophobicContact CD1-CB 3.44Å; Y278-W358 VanDerWaalsContact CD1-CB 3.44Å; Y278-W358 AromaticContact CD1-CD1 3.59Å; Y278-W358 HydrophobicContact CD1-CD2 4.23Å; Y278-W358 AromaticContact CD1-CG 3.47Å; Y278-W358 HydrophobicContact CD1-CG 3.47Å; Y278-W358 VanDerWaalsContact CD1-CG 3.47Å; Y278-W358 AromaticContact CD2-CD1 3.96Å; Y278-W358 HydrophobicContact CE1-CB 3.61Å; Y278-W358 HydrophobicContact CE1-CG 4.09Å; Y278-W358 HydrophobicContact CG-CB 4.24Å; Y278-W358 AromaticContact CG-CD1 3.43Å; Y278-W358 VanDerWaalsContact CG-CD1 3.43Å; Y278-W358 HydrophobicContact CG-CD2 4.41Å; Y278-W358 AromaticContact CG-CG 3.8Å; Y278-W358 HydrophobicContact CG-CG 3.8Å; Y278-W358 AromaticContact CG-NE1 3.85Å; V279-W358 HydrophobicContact CG2-CE3 4.35Å; A354-W358 WeakPolarHBondContact O-CB 3.38Å; A354-W358 PolarHBondContact O-N 3.04Å; L355-W358 HydrophobicContact CD2-CE3 4.01Å; L355-W358 HydrophobicContact CD2-CZ3 4.35Å; L355-W358 WeakPolarHBondContact O-CB 3.44Å; L355-W358 PolarHBondContact O-N 2.83Å; W358-A360 VanDerWaalsContact C-N 3.31Å; W358-A360 PolarHBondContact O-N 3.02Å; W358-L361 WeakPolarHBondContact O-CB 3.3Å; W358-L361 PolarHBondContact O-N 2.94Å; W358-M362 HydrophobicContact CD2-CE 3.55Å; W358-M362 VanDerWaalsContact CE2-CE 3.42Å; W358-M362 HydrophobicContact CE3-CE 3.95Å; W358-M362 HydrophobicContact CG-CE 3.99Å; W358-M362 HydrophobicContact CH2-CE 4.15Å; W358-M362 HydrophobicContact CZ2-CE 3.75Å; W358-M362 HydrophobicContact CZ3-CE 4.23Å; W358-M362 WeakPolarHBondContact O-CG 3.45Å; W358-M362 PolarHBondContact O-N 3.06Å; W358-L430 HydrophobicContact CE3-CD2 4.18Å; W358-L430 HydrophobicContact CZ3-CD2 4.13Å; W358-F433 HydrophobicContact CH2-CE1 4.44Å
359L80.8Confident75.4Confident23 Ų2363.3 Ų63.312%0.1235%0.349CS..Hα-helixtrans-56.6-45174.1-178.858.4000111.4L355 L361 M362 L363 V425 L427 L430L355-L359 WeakPolarHBondContact O-CB 3.46Å; L355-L359 PolarHBondContact O-N 3.35Å; L359-L361 PolarHBondContact O-N 2.87Å; L359-M362 PolarHBondContact O-N 2.82Å; L359-L363 HydrophobicContact CD1-CD1 4.18Å; L359-L363 HydrophobicContact CD1-CG 4.23Å; L359-L363 HydrophobicContact CG-CD1 4.03Å; L359-L363 VanDerWaalsContact O-CG 3.32Å; L359-L363 WeakPolarHBondContact O-CG 3.43Å; L359-L363 PolarHBondContact O-N 3.06Å; L359-V425 HydrophobicContact CD1-CB 4.42Å; L359-V425 HydrophobicContact CD1-CG1 4.33Å; L359-V425 WeakPolarHBondContact CD1-O 3.3Å; L359-L427 HydrophobicContact CD2-CB 4.04Å; L359-L430 HydrophobicContact CB-CD1 3.76Å; L359-L430 HydrophobicContact CD1-CD1 4.15Å; L359-L430 HydrophobicContact CG-CD1 4.42Å
360A82.9Confident72.3Confident42 Ų4265.5 Ų65.535%0.34737%0.37SS..Hα-helixtrans-59.9-33.7176.500000112.7R356 D357 W358 Q364R356-A360 PolarHBondContact O-N 3.11Å; R356-A360 VanDerWaalsContact O-N 3.1Å; D357-A360 PolarHBondContact O-N 2.88Å; W358-A360 VanDerWaalsContact C-N 3.31Å; W358-A360 PolarHBondContact O-N 3.02Å; A360-Q364 WeakPolarHBondContact O-CB 3.22Å; A360-Q364 WeakPolarHBondContact O-CG 3.33Å; A360-Q364 PolarHBondContact O-N 2.67Å; A360-Q364 VanDerWaalsContact O-N 3.12Å; A360-Q364 PolarHBondContact O-NE2 2.71Å; A360-Q364 VanDerWaalsContact O-NE2 3.08Å
361L78Confident69.1Low52 Ų5270.8 Ų70.827%0.27241%0.407SS..Hα-helixtrans-75.8-37.9173.9-72173000113.1Y278 D357 W358 L359 L363 Q364 A365Y278-L361 HydrophobicContact CD2-CD1 4.28Å; Y278-L361 HydrophobicContact CE2-CD1 3.32Å; Y278-L361 WeakPolarHBondContact OH-CD1 3.28Å; D357-L361 PolarHBondContact O-N 2.74Å; W358-L361 WeakPolarHBondContact O-CB 3.3Å; W358-L361 PolarHBondContact O-N 2.94Å; L359-L361 PolarHBondContact O-N 2.87Å; L361-L363 VanDerWaalsContact C-N 3.34Å; L361-Q364 PolarHBondContact O-N 2.92Å; L361-A365 WeakPolarHBondContact O-CB 3.31Å; L361-A365 PolarHBondContact O-N 2.97Å
362M71.6Confident65.8Low68 Ų6877.8 Ų77.834%0.33545%0.45SS..Hα-helixtrans-59.2-46.7173.2-67.1-178.2-175.200110.9W358 L359 A365 G366 L430W358-M362 HydrophobicContact CD2-CE 3.55Å; W358-M362 VanDerWaalsContact CE2-CE 3.42Å; W358-M362 HydrophobicContact CE3-CE 3.95Å; W358-M362 HydrophobicContact CG-CE 3.99Å; W358-M362 HydrophobicContact CH2-CE 4.15Å; W358-M362 HydrophobicContact CZ2-CE 3.75Å; W358-M362 HydrophobicContact CZ3-CE 4.23Å; W358-M362 WeakPolarHBondContact O-CG 3.45Å; W358-M362 PolarHBondContact O-N 3.06Å; L359-M362 PolarHBondContact O-N 2.82Å; M362-A365 PolarHBondContact O-N 3.14Å; M362-G366 PolarHBondContact O-N 2.81Å; M362-L430 HydrophobicContact CE-CD2 4.01Å; M362-L430 HydrophobicContact SD-CD1 4.46Å; M362-L430 HydrophobicContact SD-CD2 4.46Å
363L69Low62.6Low101 Ų10176.4 Ų76.453%0.52946%0.462SS..Hα-helixtrans-65.4-38178.2-66.1171.2000112.2L359 L361 G366 A367L359-L363 HydrophobicContact CD1-CD1 4.18Å; L359-L363 HydrophobicContact CD1-CG 4.23Å; L359-L363 HydrophobicContact CG-CD1 4.03Å; L359-L363 VanDerWaalsContact O-CG 3.32Å; L359-L363 WeakPolarHBondContact O-CG 3.43Å; L359-L363 PolarHBondContact O-N 3.06Å; L361-L363 VanDerWaalsContact C-N 3.34Å; L363-G366 PolarHBondContact O-N 3.18Å; L363-A367 WeakPolarHBondContact O-CB 3.24Å; L363-A367 PolarHBondContact O-N 3.08Å
364Q69.9Low59.3Low121 Ų12182 Ų8257%0.56549%0.49SS*.Hα-helixtrans-64.1-44.1173.3-78.3167.552.300112.3A360 L361 G366 A367 S368A360-Q364 WeakPolarHBondContact O-CB 3.22Å; A360-Q364 WeakPolarHBondContact O-CG 3.33Å; A360-Q364 PolarHBondContact O-N 2.67Å; A360-Q364 VanDerWaalsContact O-N 3.12Å; A360-Q364 PolarHBondContact O-NE2 2.71Å; A360-Q364 VanDerWaalsContact O-NE2 3.08Å; L361-Q364 PolarHBondContact O-N 2.92Å; Q364-G366 VanDerWaalsContact C-N 3.34Å; Q364-G366 PolarHBondContact O-N 2.88Å; Q364-A367 PolarHBondContact O-N 2.88Å; Q364-S368 PolarHBondContact O-N 2.8Å; Q364-S368 PolarHBondContact O-OG 2.9Å
365A58.6Low56.1Low66 Ų6685.1 Ų85.155%0.54552%0.523SS..Hα-helixtrans-63.3-39.1178.200000112.1L361 M362 S368L361-A365 WeakPolarHBondContact O-CB 3.31Å; L361-A365 PolarHBondContact O-N 2.97Å; M362-A365 PolarHBondContact O-N 3.14Å; A365-S368 PolarHBondContact O-N 2.79Å; A365-S368 PolarHBondContact O-OG 2.84Å
366G39.8Very low53Low70 Ų7092 Ų9272%0.72257%0.565SS**Hα-helixtrans-66.8-32.6173.300000113.9M362 L363 Q364M362-G366 PolarHBondContact O-N 2.81Å; L363-G366 PolarHBondContact O-N 3.18Å; Q364-G366 VanDerWaalsContact C-N 3.34Å; Q364-G366 PolarHBondContact O-N 2.88Å
367A32Very low49.9Very low82 Ų8288.9 Ų88.968%0.67856%0.564SS**Hα-helixtrans-75.5-28.3176.600000113.3L363 Q364 K369L363-A367 WeakPolarHBondContact O-CB 3.24Å; L363-A367 PolarHBondContact O-N 3.08Å; Q364-A367 PolarHBondContact O-N 2.88Å; A367-K369 PolarHBondContact O-N 2.61Å; A367-K369 VanDerWaalsContact O-N 3.16Å
368S34.5Very low46.9Very low75 Ų7592.5 Ų92.552%0.52459%0.587SS.*  trans-81.688.6-179.456.50000112.8Q364 A365 P370Q364-S368 PolarHBondContact O-N 2.8Å; Q364-S368 PolarHBondContact O-OG 2.9Å; A365-S368 PolarHBondContact O-N 2.79Å; A365-S368 PolarHBondContact O-OG 2.84Å; S368-P370 WeakPolarHBondContact O-CD 3.15Å
369K27.1Very low44.2Very low174 Ų17495.6 Ų95.676%0.75761%0.61SS**PPolyproline II helixtrans-57.4120.8165.2-73.5-169.3175.3-173.60109.1A367 S371A367-K369 PolarHBondContact O-N 2.61Å; A367-K369 VanDerWaalsContact O-N 3.16Å; K369-S371 PolarHBondContact O-N 3.31Å
370P31Very low41.9Very low122 Ų12298.7 Ų98.779%0.79263%0.625SS**PPolyproline II helixtrans-73.3120.4-171.627.4-34.2000111.7S368 T372S368-P370 WeakPolarHBondContact O-CD 3.15Å; P370-T372 PolarHBondContact O-N 3.31Å
371S29Very low39.5Very low112 Ų11299.9 Ų99.978%0.78363%0.625SS**PPolyproline II helixtrans-71.6121.6171.358.60000110.5K369 A373K369-S371 PolarHBondContact O-N 3.31Å; S371-A373 PolarHBondContact O-N 2.8Å; S371-A373 VanDerWaalsContact O-N 3.08Å
372T25.3Very low37.2Very low148 Ų148101.6 Ų101.691%0.90864%0.638SS**  trans-66.4103.5-177.8490000112.5P370P370-T372 PolarHBondContact O-N 3.31Å
373A28.1Very low35.2Very low80 Ų80102.9 Ų102.966%0.66165%0.646SS**  trans-146.999.4173.600000112.8S371S371-A373 PolarHBondContact O-N 2.8Å; S371-A373 VanDerWaalsContact O-N 3.08Å
374I27.2Very low33.5Very low181 Ų181103.5 Ų103.593%0.92865%0.65SS**  trans42.9121.1142.1-52.4172000118.7
375G28.1Very low31.6Very low66 Ų66104.3 Ų104.368%0.6866%0.658SS**  trans143.189.5153.100000114.5P377G375-P377 VanDerWaalsContact O-CD 3.28Å; G375-P377 WeakPolarHBondContact O-CD 3.45Å
376T24.9Very low30.3Very low144 Ų144108.3 Ų108.388%0.88367%0.665SS**PPolyproline II helixtrans-77.2118.1173.944.60000112
377P30Very low29.8Very low83 Ų83111.4 Ų111.454%0.53967%0.67SS.*PPolyproline II helixtrans-91.4127.2163.87.913.5000109.1G375G375-P377 VanDerWaalsContact O-CD 3.28Å; G375-P377 WeakPolarHBondContact O-CD 3.45Å
378T30Very low29.8Very low112 Ų112111.3 Ų111.369%0.68768%0.678SS**PPolyproline II helixtrans-66.7137.7175.220.20000111.5
379P30.3Very low29.5Very low85 Ų85116.4 Ų116.455%0.55269%0.693SS**PPolyproline II helixtrans-61.8151.4164.1-18.631.9000111D381P379-D381 PolarHBondContact O-N 3.41Å
380M33.1Very low29.8Very low89 Ų89115.1 Ų115.144%0.43870%0.695SS.*  trans-79.1109.2159.7-73-165.8-6900108.6Q72Q72-M380 VanDerWaalsContact OE1-CG 3.28Å
381D31.5Very low29.7Very low66 Ų66118.2 Ų118.235%0.35370%0.698SS.*  trans-82.5111167.5-85.2-37.8000109.6P379P379-D381 PolarHBondContact O-N 3.41Å
382T30.7Very low29.8Very low89 Ų89117.9 Ų117.955%0.54670%0.703SS.*  trans-104.566.3176.153.90000112.9I55I55-T382 HydrophobicContact CD1-CG2 4.49Å
383D28.3Very low29.8Very low94 Ų94117 Ų11750%0.50370%0.697SS.*  trans-152.2146.2150.7-32-106.9000105.4R824D383-R824 PolarHBondContact O-NH1 3.09Å; D383-R824 PolarHBondContact O-NH2 3.1Å; D383-R824 WeakPolarHBondContact OD2-CD 3.2Å; D383-R824 IonicContact OD2-CZ 2.69Å; D383-R824 VanDerWaalsContact OD2-CZ 3.24Å; D383-R824 IonicContact OD2-NE 3.6Å; D383-R824 PolarHBondContact OD2-NE 3.08Å; D383-R824 IonicContact OD2-NH1 2.69Å; D383-R824 PolarHBondContact OD2-NH1 3.04Å
384N33.4Very low29.8Very low114 Ų114120.3 Ų120.361%0.6171%0.709SS**  -176.6146.472.2-120.6-2.6000110.3R824N384-R824 PolarHBondContact ND2-NH2 3.07Å
385L30.1Very low29.6Very low139 Ų139118.4 Ų118.473%0.72870%0.696SS**  trans68.1150153.3-54.8165000116.4
386E32.1Very low29.6Very low150 Ų150123.6 Ų123.670%0.70171%0.706SS**  cis-158.5154.19.1-140.4166.3-122.500114.3
387T29.7Very low29.7Very low134 Ų134123.2 Ų123.282%0.82270%0.695SS**  trans66.8136.9162.971.40000120.6
388G30.7Very low29.7Very low81 Ų81124 Ų12484%0.83570%0.702SS**  trans161.748.2172.400000120
389Q28.5Very low29.6Very low182 Ų182124.5 Ų124.585%0.8571%0.705SS**  trans-18.9121.1174.3-62171.1-3900119.3
390N34.4Very low29.6Very low147 Ų147126.3 Ų126.379%0.78672%0.717SS**  169.5129111.6-83.4-31.3000116.5
391E28.1Very low29.7Very low186 Ų186127.6 Ų127.687%0.86973%0.734SS**  trans1.1123.3158.2-54.1-179.8149.800123.1
392A31.7Very low29.5Very low106 Ų106130.3 Ų130.388%0.87675%0.749SS**  -168.5143.412600000111.4
393T25.6Very low29.4Very low129 Ų129132.7 Ų132.779%0.79176%0.763SS**  trans-114.3139.2-161-6.20000116.4
394V27.5Very low29.3Very low149 Ų149132.9 Ų132.990%0.90377%0.768SS**  trans-144.5142.3143.6-176.30000107.8
395Q23.6Very low29.1Very low141 Ų141129.5 Ų129.566%0.65975%0.748SS**  trans-105.3141.3-166.9-62.9168.5-97.100114.8E397Q395-E397 WeakPolarHBondContact CB-OE1 3.16Å; Q395-E397 WeakPolarHBondContact CG-OE1 3.34Å; Q395-E397 PolarHBondContact NE2-OE1 2.98Å
396I26.6Very low28.9Very low176 Ų176130 Ų13090%0.90375%0.751SS**  trans-146.4144.1142.5-54.9-174.8000107.2
397E27.5Very low28.8Very low136 Ų136126.9 Ų126.964%0.63673%0.733SS**  trans-141.3160.8-163.4-80.7150.4-134.800110.2Q395Q395-E397 WeakPolarHBondContact CB-OE1 3.16Å; Q395-E397 WeakPolarHBondContact CG-OE1 3.34Å; Q395-E397 PolarHBondContact NE2-OE1 2.98Å
398S30.8Very low28.6Very low99 Ų99128.2 Ų128.269%0.69274%0.735SS**  cis-179.3158.4-5.550.90000108.5
399T27.1Very low28.5Very low123 Ų123130.3 Ų130.376%0.75573%0.727SS**  cis-170.8146.2-17.829.70000107.9
400P29.9Very low28.5Very low123 Ų123129.2 Ų129.280%0.79973%0.727SS**  trans-85.9172175.335.7-35.2000113.8
401S35Very low28.1Very low115 Ų115127.8 Ų127.880%0.80473%0.728SS**  trans-144.4144.2-177.1-640000113.6
402N28.9Very low28Very low124 Ų124123.4 Ų123.466%0.66372%0.718SS**  trans-110.9155.1-171.3-47.7-30.1000112.9
403V27.5Very low27.8Very low138 Ų138126.6 Ų126.684%0.83672%0.715SS**  trans-147.1148.9164.6-173.90000109.9
404V26.6Very low27.9Very low99 Ų99126.7 Ų126.760%0.672%0.716SS**  trans-121.7122.9-153.6168.10000114.7E819V404-E819 WeakPolarHBondContact CG2-OE1 3.28Å
405M29.8Very low28.2Very low42 Ų42125.2 Ų125.221%0.20771%0.709CS.*  trans54.1143141.6-61.8-68.3-59.100126.5Y407 W816 E819 Y820M405-Y407 HydrophobicContact CE-CD2 3.66Å; M405-Y407 HydrophobicContact CE-CE2 3.8Å; M405-W816 HydrophobicContact SD-CG 4.06Å; M405-E819 WeakPolarHBondContact CG-OE2 3.23Å; M405-E819 HydrophobicContact SD-CB 4.37Å; M405-Y820 HydrophobicContact CB-CE2 4.42Å; M405-Y820 HydrophobicContact CE-CD1 3.43Å; M405-Y820 VanDerWaalsContact CE-CD1 3.43Å; M405-Y820 HydrophobicContact CE-CD2 3.43Å; M405-Y820 VanDerWaalsContact CE-CD2 3.43Å; M405-Y820 HydrophobicContact CE-CE1 3.68Å; M405-Y820 HydrophobicContact CE-CE2 3.75Å; M405-Y820 HydrophobicContact CE-CG 3.29Å; M405-Y820 HydrophobicContact CG-CD2 3.63Å; M405-Y820 HydrophobicContact CG-CE2 3.34Å; M405-Y820 HydrophobicContact CG-CG 4.48Å; M405-Y820 HydrophobicContact SD-CD1 4.43Å; M405-Y820 HydrophobicContact SD-CD2 3.3Å; M405-Y820 WeakPolarHBondContact SD-CD2 3.26Å; M405-Y820 HydrophobicContact SD-CE2 3.7Å; M405-Y820 HydrophobicContact SD-CG 3.74Å
406I26.3Very low28.4Very low151 Ų151126.3 Ų126.377%0.77472%0.718SS**  -177.7151.1102.5-88.2165000110.5
407Y29.9Very low28.4Very low84 Ų84122.5 Ų122.533%0.32971%0.707SS.*  trans-108.7167.8-179.5-67.1-78.7000114.1M405 L813 W816 Y820M405-Y407 HydrophobicContact CE-CD2 3.66Å; M405-Y407 HydrophobicContact CE-CE2 3.8Å; Y407-L813 HydrophobicContact CE1-CD1 4.05Å; Y407-W816 AromaticContact CD1-CD2 3.38Å; Y407-W816 HydrophobicContact CD1-CD2 3.38Å; Y407-W816 AromaticContact CD1-CE2 2.32Å; Y407-W816 AromaticContact CD1-CE3 3.97Å; Y407-W816 HydrophobicContact CD1-CE3 3.97Å; Y407-W816 HydrophobicContact CD1-CG 4.32Å; Y407-W816 AromaticContact CD1-CH2 3.36Å; Y407-W816 HydrophobicContact CD1-CH2 3.36Å; Y407-W816 AromaticContact CD1-CZ2 2.32Å; Y407-W816 HydrophobicContact CD1-CZ2 2.32Å; Y407-W816 AromaticContact CD1-CZ3 3.97Å; Y407-W816 HydrophobicContact CD1-CZ3 3.97Å; Y407-W816 AromaticContact CD1-NE1 3.07Å; Y407-W816 AromaticContact CD2-CD2 3.99Å; Y407-W816 HydrophobicContact CD2-CD2 3.99Å; Y407-W816 AromaticContact CD2-CE2 2.36Å; Y407-W816 AromaticContact CD2-CH2 3.98Å; Y407-W816 HydrophobicContact CD2-CH2 3.98Å; Y407-W816 AromaticContact CD2-CZ2 2.36Å; Y407-W816 HydrophobicContact CD2-CZ2 2.36Å; Y407-W816 AromaticContact CD2-NE1 2.83Å; Y407-W816 AromaticContact CE1-CD1 3.96Å; Y407-W816 AromaticContact CE1-CD2 2.33Å; Y407-W816 HydrophobicContact CE1-CD2 2.33Å; Y407-W816 AromaticContact CE1-CE2 2.13Å; Y407-W816 AromaticContact CE1-CE3 2.35Å; Y407-W816 HydrophobicContact CE1-CE3 2.35Å; Y407-W816 AromaticContact CE1-CG 3.62Å; Y407-W816 HydrophobicContact CE1-CG 3.62Å; Y407-W816 AromaticContact CE1-CH2 2.32Å; Y407-W816 HydrophobicContact CE1-CH2 2.32Å; Y407-W816 AromaticContact CE1-CZ2 2.13Å; Y407-W816 HydrophobicContact CE1-CZ2 2.13Å; Y407-W816 AromaticContact CE1-CZ3 2.35Å; Y407-W816 HydrophobicContact CE1-CZ3 2.35Å; Y407-W816 AromaticContact CE1-NE1 3.31Å; Y407-W816 VanDerWaalsContact CE1-NE1 3.31Å; Y407-W816 AromaticContact CE2-CD2 3.37Å; Y407-W816 HydrophobicContact CE2-CD2 3.37Å; Y407-W816 AromaticContact CE2-CE2 2.31Å; Y407-W816 AromaticContact CE2-CE3 4Å; Y407-W816 HydrophobicContact CE2-CE3 4Å; Y407-W816 HydrophobicContact CE2-CG 4.2Å; Y407-W816 AromaticContact CE2-CH2 3.37Å; Y407-W816 HydrophobicContact CE2-CH2 3.37Å; Y407-W816 AromaticContact CE2-CZ2 2.32Å; Y407-W816 HydrophobicContact CE2-CZ2 2.32Å; Y407-W816 AromaticContact CE2-CZ3 4Å; Y407-W816 HydrophobicContact CE2-CZ3 4Å; Y407-W816 AromaticContact CE2-NE1 3.14Å; Y407-W816 AromaticContact CG-CD2 3.99Å; Y407-W816 HydrophobicContact CG-CD2 3.99Å; Y407-W816 AromaticContact CG-CE2 2.36Å; Y407-W816 AromaticContact CG-CH2 3.97Å; Y407-W816 HydrophobicContact CG-CH2 3.97Å; Y407-W816 AromaticContact CG-CZ2 2.36Å; Y407-W816 HydrophobicContact CG-CZ2 2.36Å; Y407-W816 AromaticContact CG-NE1 2.79Å; Y407-W816 AromaticContact CZ-CD1 3.94Å; Y407-W816 AromaticContact CZ-CD2 2.32Å; Y407-W816 AromaticContact CZ-CE2 2.13Å; Y407-W816 AromaticContact CZ-CE3 2.37Å; Y407-W816 AromaticContact CZ-CG 3.53Å; Y407-W816 AromaticContact CZ-CH2 2.32Å; Y407-W816 AromaticContact CZ-CZ2 2.13Å; Y407-W816 AromaticContact CZ-CZ3 2.37Å; Y407-W816 AromaticContact CZ-NE1 3.36Å; Y407-W816 WeakPolarHBondContact OH-CH2 3.44Å; Y407-W816 WeakPolarHBondContact OH-CZ2 3Å; Y407-W816 WeakPolarHBondContact OH-CZ3 3.46Å; Y407-W816 PolarHBondContact OH-O 3.05Å; Y407-Y820 HydrophobicContact CE2-CD1 4.42Å; Y407-Y820 HydrophobicContact CE2-CG 4.31Å
408D25.2Very low28.4Very low162 Ų162117.2 Ų117.287%0.86669%0.689SS**  trans-148.5168133.3-146.9-18.7000111.8
409N28.8Very low28.2Very low124 Ų124117.3 Ų117.366%0.66368%0.682SS**  trans-122.3169.8-161-110.8-37000116.1
410N26.9Very low28.4Very low160 Ų160116.9 Ų116.986%0.85668%0.678SS**  trans114.6142.7174.9-65.9-57000113.5
411S26.9Very low28.3Very low116 Ų116118.7 Ų118.781%0.81168%0.681SS**  cis-142.9-171.56.255.10000112.9
412S26.6Very low28.2Very low95 Ų95119.4 Ų119.466%0.66468%0.681SS**  trans-103.5-179.2-15949.70000118
413E26.1Very low28.6Very low172 Ų172120.5 Ų120.580%0.80469%0.692SS**  trans86.5146.6162.5-61.7169.7-142.800118.8
414T28.5Very low29.8Very low132 Ų132117.3 Ų117.381%0.8168%0.68SS**  -157.8156.5-54.97.20000109.8
415P33.4Very low31.2Very low118 Ų118115.8 Ų115.877%0.76667%0.671SS**  trans-111.1167.4-16041.2-35.4000117.4
416I27.2Very low33.1Very low163 Ų163116.4 Ų116.484%0.83668%0.677SS**  trans-138.6153.9168.4-60.9-176.5000110.1
417S27.9Very low35.4Very low97 Ų97111.4 Ų111.468%0.67865%0.652SS**  trans-121.1165.8-157.658.40000116.6
418G28.1Very low37.3Very low24 Ų24113.8 Ų113.825%0.24767%0.666CS.*  trans-167.7148.8168.600000114.6N781 V783G418-N781 WeakPolarHBondContact CA-O 3.27Å; G418-V783 VanDerWaalsContact N-CG2 3.34Å
419D26.4Very low39.2Very low102 Ų102109.4 Ų109.455%0.54564%0.642SS.*  trans-74.3160.7-161.1-60.7-71.7000117.9
420V29.9Very low41.1Very low113 Ų113103.9 Ų103.969%0.68561%0.613SS**  trans-129.1141.1172.4176.60000109.8T422V420-T422 PolarHBondContact O-N 2.94Å
421N27.7Very low43.5Very low161 Ų16198 Ų9886%0.86158%0.58SS**PPolyproline II helixtrans-66.8126.3179.2-74.6-28.2000112.3
422T33.5Very low45.4Very low131 Ų13198 Ų9880%0.80457%0.569SS**PPolyproline II helixtrans-98.9136.7173.143.90000111.8V420 A424V420-T422 PolarHBondContact O-N 2.94Å; T422-A424 PolarHBondContact O-N 2.88Å
423V37.7Very low47.3Very low146 Ų14697.6 Ų97.689%0.88556%0.555SS**PPolyproline II helixtrans-71122.1167.4179.50000108
424A52.6Low49.4Very low71 Ų7189.4 Ų89.459%0.58752%0.517SS*.PPolyproline II helixtrans-81121.6-179.100000110.7T422T422-A424 PolarHBondContact O-N 2.88Å
425V55.6Low51.6Low68 Ų6884.1 Ų84.141%0.41248%0.484SS..PPolyproline II helixtrans-61.1135172.4179.60000109.8L359 D429 L430L359-V425 HydrophobicContact CD1-CB 4.42Å; L359-V425 HydrophobicContact CD1-CG1 4.33Å; L359-V425 WeakPolarHBondContact CD1-O 3.3Å; V425-D429 HydrophobicContact CG1-CB 4.25Å; V425-L430 HydrophobicContact CG1-CD1 4.33Å; V425-L430 HydrophobicContact CG1-CD2 4.08Å; V425-L430 HydrophobicContact CG1-CG 3.91Å
426T71Confident53Low55 Ų5582.7 Ų82.734%0.33747%0.469SS..  trans-100176.5177.967.90000112.1E428 D429T426-E428 VanDerWaalsContact C-N 3.34Å; T426-E428 WeakPolarHBondContact CB-OE2 3.45Å; T426-E428 PolarHBondContact OG1-N 3.45Å; T426-D429 WeakPolarHBondContact CB-OD2 3.35Å; T426-D429 PolarHBondContact N-OD2 3.37Å; T426-D429 PolarHBondContact OG1-N 2.98Å; T426-D429 PolarHBondContact OG1-OD2 3.13Å
427L73.6Confident55.3Low45 Ų4578.6 Ų78.624%0.23645%0.445CS..Hα-helixtrans-75.5-31.9172.7-179.857.6000110.7L355 R356 L359 L430 E431L355-L427 HydrophobicContact CB-CD1 3.82Å; R356-L427 HydrophobicContact CB-CD1 4.22Å; R356-L427 HydrophobicContact CB-CD2 4.42Å; L359-L427 HydrophobicContact CD2-CB 4.04Å; L427-L430 PolarHBondContact O-N 3.48Å; L427-E431 PolarHBondContact O-N 3.5Å
428E69.2Low58.1Low135 Ų13575.1 Ų75.163%0.63142%0.418SS*.Hα-helixtrans-64.6-42.7177.9-66.369.2-161.900111.1T426 L430 E431 M432T426-E428 VanDerWaalsContact C-N 3.34Å; T426-E428 WeakPolarHBondContact CB-OE2 3.45Å; T426-E428 PolarHBondContact OG1-N 3.45Å; E428-L430 VanDerWaalsContact C-N 3.29Å; E428-L430 PolarHBondContact O-N 2.88Å; E428-E431 PolarHBondContact O-N 3.38Å; E428-M432 PolarHBondContact O-N 3.35Å
429D66.8Low61Low69 Ų6974.3 Ų74.337%0.36941%0.408SS..Hα-helixtrans-58.6-41.7171.9-62.4-50000111.5V425 T426 M432 F433V425-D429 HydrophobicContact CG1-CB 4.25Å; T426-D429 WeakPolarHBondContact CB-OD2 3.35Å; T426-D429 PolarHBondContact N-OD2 3.37Å; T426-D429 PolarHBondContact OG1-N 2.98Å; T426-D429 PolarHBondContact OG1-OD2 3.13Å; D429-M432 PolarHBondContact O-N 3.02Å; D429-F433 VanDerWaalsContact O-CB 3.29Å; D429-F433 WeakPolarHBondContact O-CB 3.33Å; D429-F433 PolarHBondContact O-N 3.47Å
430L68.1Low63.8Low8 Ų870 Ų704%0.04239%0.385CS..Hα-helixtrans-74.1-33.3179.8-67.3177000112.9L355 W358 L359 M362 V425 L427 E428 A434L355-L430 HydrophobicContact CB-CB 4.39Å; L355-L430 HydrophobicContact CD2-CB 4.28Å; W358-L430 HydrophobicContact CE3-CD2 4.18Å; W358-L430 HydrophobicContact CZ3-CD2 4.13Å; L359-L430 HydrophobicContact CB-CD1 3.76Å; L359-L430 HydrophobicContact CD1-CD1 4.15Å; L359-L430 HydrophobicContact CG-CD1 4.42Å; M362-L430 HydrophobicContact CE-CD2 4.01Å; M362-L430 HydrophobicContact SD-CD1 4.46Å; M362-L430 HydrophobicContact SD-CD2 4.46Å; V425-L430 HydrophobicContact CG1-CD1 4.33Å; V425-L430 HydrophobicContact CG1-CD2 4.08Å; V425-L430 HydrophobicContact CG1-CG 3.91Å; L427-L430 PolarHBondContact O-N 3.48Å; E428-L430 VanDerWaalsContact C-N 3.29Å; E428-L430 PolarHBondContact O-N 2.88Å; L430-A434 VanDerWaalsContact O-CB 3.3Å; L430-A434 WeakPolarHBondContact O-CB 3.39Å; L430-A434 PolarHBondContact O-N 3Å
431E76Confident66.2Low36 Ų3668.3 Ų68.317%0.16837%0.369CS..Hα-helixtrans-64.7-43.7169.1-80.7-154.9-148.600111R348 R352 L355 L427 E428 A434 D435R348-E431 IonicContact CZ-OE2 3.43Å; R348-E431 IonicContact NE-OE2 3.47Å; R348-E431 IonicContact NH2-OE2 2.72Å; R348-E431 PolarHBondContact NH2-OE2 3.36Å; R352-E431 WeakPolarHBondContact CG-OE1 3.1Å; R352-E431 IonicContact CZ-OE1 2.75Å; R352-E431 IonicContact CZ-OE2 3.2Å; R352-E431 IonicContact NE-OE1 3.61Å; R352-E431 PolarHBondContact NE-OE1 3.29Å; R352-E431 IonicContact NE-OE2 3.73Å; R352-E431 PolarHBondContact NE-OE2 3.04Å; R352-E431 IonicContact NH2-OE1 3.2Å; R352-E431 PolarHBondContact NH2-OE1 3.46Å; R352-E431 IonicContact NH2-OE2 2.76Å; R352-E431 PolarHBondContact NH2-OE2 3.4Å; L355-E431 HydrophobicContact CD1-CB 4.44Å; L355-E431 HydrophobicContact CD1-CG 3.84Å; L427-E431 PolarHBondContact O-N 3.5Å; E428-E431 PolarHBondContact O-N 3.38Å; E431-A434 PolarHBondContact O-N 3.13Å; E431-D435 WeakPolarHBondContact O-CB 3.49Å; E431-D435 PolarHBondContact O-N 3.32Å
432M67.5Low67.8Low117 Ų11762 Ų6258%0.57634%0.337SS*.Hα-helixtrans-62.8-45.3175.9-178.7176.964.300112E428 D429 A434 D435 L436E428-M432 PolarHBondContact O-N 3.35Å; D429-M432 PolarHBondContact O-N 3.02Å; M432-A434 VanDerWaalsContact C-N 3.35Å; M432-A434 PolarHBondContact O-N 2.87Å; M432-D435 PolarHBondContact O-N 2.96Å; M432-L436 HydrophobicContact CG-CD1 4.38Å; M432-L436 WeakPolarHBondContact O-CG 3.4Å; M432-L436 PolarHBondContact O-N 3.15Å; M432-L436 VanDerWaalsContact O-N 3.08Å
433F67.1Low69Low86 Ų8659.3 Ų59.338%0.37732%0.316SS..Hα-helixtrans-62.4-41.3178.3-174-124.6000111.9I247 W358 D429 F437I247-F433 HydrophobicContact CD1-CD1 3.73Å; I247-F433 HydrophobicContact CD1-CE1 3.24Å; I247-F433 HydrophobicContact CD1-CZ 3.74Å; W358-F433 HydrophobicContact CH2-CE1 4.44Å; D429-F433 VanDerWaalsContact O-CB 3.29Å; D429-F433 WeakPolarHBondContact O-CB 3.33Å; D429-F433 PolarHBondContact O-N 3.47Å; F433-F437 AromaticContact CD2-CD2 3.71Å; F433-F437 HydrophobicContact CD2-CD2 3.71Å; F433-F437 AromaticContact CD2-CE2 3.91Å; F433-F437 HydrophobicContact CD2-CE2 3.91Å; F433-F437 AromaticContact CE2-CD2 3.55Å; F433-F437 HydrophobicContact CE2-CD2 3.55Å; F433-F437 AromaticContact CE2-CE2 3.58Å; F433-F437 HydrophobicContact CE2-CE2 3.58Å; F433-F437 HydrophobicContact CZ-CD2 4.3Å; F433-F437 PolarHBondContact O-N 3.41Å; F433-F437 VanDerWaalsContact O-N 3.1Å
434A70.3Confident69.5Low0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-68.4-34174.300000113.2I247 L351 L355 L430 E431 M432 F437 Y438I247-A434 HydrophobicContact CB-CB 4.5Å; I247-A434 HydrophobicContact CG2-CB 4.05Å; L351-A434 HydrophobicContact CD1-CB 4.18Å; L351-A434 HydrophobicContact CD2-CB 4.32Å; L355-A434 HydrophobicContact CD1-CB 4.03Å; L355-A434 HydrophobicContact CD2-CB 4.18Å; L430-A434 VanDerWaalsContact O-CB 3.3Å; L430-A434 WeakPolarHBondContact O-CB 3.39Å; L430-A434 PolarHBondContact O-N 3Å; E431-A434 PolarHBondContact O-N 3.13Å; M432-A434 VanDerWaalsContact C-N 3.35Å; M432-A434 PolarHBondContact O-N 2.87Å; A434-F437 CarbonylContact O-C 3.55Å; A434-Y438 WeakPolarHBondContact O-CA 3.49Å; A434-Y438 WeakPolarHBondContact O-CB 3.29Å; A434-Y438 WeakPolarHBondContact O-CD2 3.38Å; A434-Y438 PolarHBondContact O-N 2.94Å
435D73.7Confident69.2Low21 Ų2153 Ų5311%0.11227%0.273CS..Hα-helixtrans-67.6-36.4177.2-84.122.6000112.8R348 E431 M432 V444 S446R348-D435 IonicContact CZ-OD1 3.51Å; R348-D435 IonicContact NH1-OD1 2.79Å; R348-D435 PolarHBondContact NH1-OD1 2.86Å; R348-D435 IonicContact NH2-OD1 2.7Å; R348-D435 PolarHBondContact NH2-OD1 2.79Å; R348-D435 IonicContact NH2-OD2 3.51Å; E431-D435 WeakPolarHBondContact O-CB 3.49Å; E431-D435 PolarHBondContact O-N 3.32Å; M432-D435 PolarHBondContact O-N 2.96Å; D435-V444 HydrophobicContact CB-CB 4.01Å; D435-V444 HydrophobicContact CB-CG2 4.13Å; D435-V444 WeakPolarHBondContact OD1-CG2 3.33Å; D435-V444 WeakPolarHBondContact OD2-CG1 3.03Å; D435-S446 PolarHBondContact OD2-OG 2.93Å
436L64.3Low68.5Low89 Ų8952.9 Ų52.947%0.46628%0.275SS..Hα-helixtrans-67.5-55.2173.3-69168000110.8M432 Y438 H443M432-L436 HydrophobicContact CG-CD1 4.38Å; M432-L436 WeakPolarHBondContact O-CG 3.4Å; M432-L436 PolarHBondContact O-N 3.15Å; M432-L436 VanDerWaalsContact O-N 3.08Å; L436-Y438 PolarHBondContact O-N 3.41Å; L436-H443 PolarHBondContact O-ND1 2.92Å; L436-H443 VanDerWaalsContact O-ND1 3.12Å
437F74.8Confident67Low76 Ų7651.2 Ų51.233%0.33327%0.267SS..THydrogen-bonded Turntrans-96.951.3-175.6-65.1-77.4000112.1V245 F246 I247 F433 A434V245-F437 HydrophobicContact CB-CD1 4.24Å; V245-F437 WeakPolarHBondContact O-CB 3.36Å; F246-F437 WeakPolarHBondContact CA-O 3.21Å; I247-F437 HydrophobicContact CD1-CB 4.09Å; I247-F437 HydrophobicContact CG1-CB 4.15Å; I247-F437 PolarHBondContact N-O 3.02Å; F433-F437 AromaticContact CD2-CD2 3.71Å; F433-F437 HydrophobicContact CD2-CD2 3.71Å; F433-F437 AromaticContact CD2-CE2 3.91Å; F433-F437 HydrophobicContact CD2-CE2 3.91Å; F433-F437 AromaticContact CE2-CD2 3.55Å; F433-F437 HydrophobicContact CE2-CD2 3.55Å; F433-F437 AromaticContact CE2-CE2 3.58Å; F433-F437 HydrophobicContact CE2-CE2 3.58Å; F433-F437 HydrophobicContact CZ-CD2 4.3Å; F433-F437 PolarHBondContact O-N 3.41Å; F433-F437 VanDerWaalsContact O-N 3.1Å; A434-F437 CarbonylContact O-C 3.55Å
438Y85.5Confident65.6Low24 Ų2451.4 Ų51.49%0.09427%0.267CS..  trans-75.4-91.1-166.1-164-110.7000114.6I247 G248 P249 L351 A434 L436 S442 V444I247-Y438 PolarHBondContact N-O 3.43Å; G248-Y438 WeakPolarHBondContact CA-O 3.18Å; G248-Y438 PolarHBondContact N-O 3.05Å; P249-Y438 HydrophobicContact CG-CE2 4.33Å; L351-Y438 HydrophobicContact CD2-CE2 4.07Å; A434-Y438 WeakPolarHBondContact O-CA 3.49Å; A434-Y438 WeakPolarHBondContact O-CB 3.29Å; A434-Y438 WeakPolarHBondContact O-CD2 3.38Å; A434-Y438 PolarHBondContact O-N 2.94Å; L436-Y438 PolarHBondContact O-N 3.41Å; Y438-S442 WeakPolarHBondContact CD1-O 3.47Å; Y438-V444 HydrophobicContact CD1-CG2 3.98Å; Y438-V444 HydrophobicContact CD2-CG2 3.31Å; Y438-V444 HydrophobicContact CE1-CG2 4.08Å; Y438-V444 HydrophobicContact CE2-CG2 3.42Å; Y438-V444 VanDerWaalsContact CE2-CG2 3.42Å; Y438-V444 HydrophobicContact CG-CG2 3.6Å
439L88.8Confident64Low8 Ų850.6 Ų50.64%0.04226%0.259CS..BIsolated β-bridgetrans-137.7162.2-174.9-71.4177.5000111.9L235 F246 F441 S442L235-L439 HydrophobicContact CD1-CD2 4.4Å; L235-L439 HydrophobicContact CG-CD2 4.33Å; F246-L439 VanDerWaalsContact CD1-C 3.48Å; L439-F441 PolarHBondContact O-N 2.61Å; L439-S442 PolarHBondContact N-O 3.18Å; L439-S442 VanDerWaalsContact N-O 3.16Å; L439-S442 PolarHBondContact O-N 2.82Å
440P85.4Confident62.6Low11 Ų1153.9 Ų53.97%0.07128%0.275CS..THydrogen-bonded Turntrans-56.7-28-176.6-28.535.1000115.2V209 L235 R244 F246V209-P440 HydrophobicContact CG1-CB 4.3Å; V209-P440 HydrophobicContact CG1-CG 4.25Å; L235-P440 WeakPolarHBondContact O-CD 3.39Å; L235-P440 WeakPolarHBondContact O-CG 3.19Å; R244-P440 PolarHBondContact NH1-O 2.69Å; R244-P440 VanDerWaalsContact NH1-O 3.11Å; R244-P440 PolarHBondContact NH2-O 3.47Å; F246-P440 HydrophobicContact CD1-CG 4.07Å; F246-P440 HydrophobicContact CD2-CG 4.19Å; F246-P440 HydrophobicContact CE1-CB 4.2Å; F246-P440 HydrophobicContact CE1-CG 3.87Å; F246-P440 HydrophobicContact CE2-CG 4.01Å; F246-P440 HydrophobicContact CG-CG 4.21Å; F246-P440 HydrophobicContact CZ-CB 4.14Å; F246-P440 HydrophobicContact CZ-CG 3.83Å
441F82Confident61.2Low77 Ų7756.9 Ų56.934%0.33830%0.295SS..THydrogen-bonded Turntrans-121.911.1-171-48.9-74.3000115.3V209 K211 L439V209-F441 HydrophobicContact CB-CZ 4.19Å; V209-F441 HydrophobicContact CG1-CE2 3.82Å; V209-F441 HydrophobicContact CG1-CZ 3.71Å; V209-F441 VanDerWaalsContact O-CZ 3.24Å; V209-F441 WeakPolarHBondContact O-CZ 3.45Å; K211-F441 HydrophobicContact CB-CB 4.35Å; K211-F441 HydrophobicContact CB-CD1 4.33Å; K211-F441 HydrophobicContact CB-CD2 3.54Å; K211-F441 HydrophobicContact CB-CE2 3.85Å; K211-F441 HydrophobicContact CB-CG 3.81Å; K211-F441 HydrophobicContact CB-CZ 4.38Å; K211-F441 HydrophobicContact CD-CB 3.59Å; K211-F441 HydrophobicContact CD-CD2 4.42Å; K211-F441 HydrophobicContact CD-CG 3.97Å; K211-F441 HydrophobicContact CG-CB 3.8Å; K211-F441 HydrophobicContact CG-CD2 3.76Å; K211-F441 HydrophobicContact CG-CG 3.82Å; K211-F441 PolarHBondContact NZ-O 3.46Å; L439-F441 PolarHBondContact O-N 2.61Å
442S60.6Low59.3Low29 Ų2961.2 Ų61.220%0.20332%0.316CS..BIsolated β-bridgetrans-161.4136.2178.141.10000110.4Y438 L439Y438-S442 WeakPolarHBondContact CD1-O 3.47Å; L439-S442 PolarHBondContact N-O 3.18Å; L439-S442 VanDerWaalsContact N-O 3.16Å; L439-S442 PolarHBondContact O-N 2.82Å
443H57.6Low57.7Low75 Ų7560.2 Ų60.235%0.34731%0.312SS..  trans-92.3172.4152.7-64.5-87.5000108L436 A447 I448L436-H443 PolarHBondContact O-ND1 2.92Å; L436-H443 VanDerWaalsContact O-ND1 3.12Å; H443-A447 HydrophobicContact CB-CB 3.97Å; H443-I448 HydrophobicContact CB-CG1 4.14Å; H443-I448 VanDerWaalsContact O-CD1 3.26Å; H443-I448 WeakPolarHBondContact O-CD1 3.48Å; H443-I448 WeakPolarHBondContact O-CG1 3.35Å
444V50.1Low56.2Low21 Ų2157.6 Ų57.613%0.12731%0.309CS..  trans-81.4158.2173.1-177.40000109.8D435 Y438 S446 A447 I448D435-V444 HydrophobicContact CB-CB 4.01Å; D435-V444 HydrophobicContact CB-CG2 4.13Å; D435-V444 WeakPolarHBondContact OD1-CG2 3.33Å; D435-V444 WeakPolarHBondContact OD2-CG1 3.03Å; Y438-V444 HydrophobicContact CD1-CG2 3.98Å; Y438-V444 HydrophobicContact CD2-CG2 3.31Å; Y438-V444 HydrophobicContact CE1-CG2 4.08Å; Y438-V444 HydrophobicContact CE2-CG2 3.42Å; Y438-V444 VanDerWaalsContact CE2-CG2 3.42Å; Y438-V444 HydrophobicContact CG-CG2 3.6Å; V444-S446 PolarHBondContact O-N 2.95Å; V444-A447 CarbonylContact O-C 3.56Å; V444-A447 PolarHBondContact O-N 3.35Å; V444-I448 WeakPolarHBondContact O-CG1 3.34Å; V444-I448 PolarHBondContact O-N 3.05Å
445S45.1Very low54.5Low63 Ų6364 Ų6444%0.44134%0.339SS..Hα-helixtrans-56.4-19-176.152.10000115.1
446S41.6Very low52.5Low65 Ų6569.4 Ų69.446%0.45536%0.358SS..Hα-helixtrans-62.3-50.816738.10000112.1D435 V444D435-S446 PolarHBondContact OD2-OG 2.93Å; V444-S446 PolarHBondContact O-N 2.95Å
447A38.9Very low51.1Low21 Ų2169.6 Ų69.617%0.17436%0.359CS..Hα-helixtrans-90.6-23.3-178.500000114.3H443 V444 R449 L450 P451H443-A447 HydrophobicContact CB-CB 3.97Å; V444-A447 CarbonylContact O-C 3.56Å; V444-A447 PolarHBondContact O-N 3.35Å; A447-R449 PolarHBondContact O-N 3.47Å; A447-L450 PolarHBondContact O-N 3.12Å; A447-P451 VanDerWaalsContact O-CD 3.24Å; A447-P451 WeakPolarHBondContact O-CD 3.39Å
448I44.5Very low49.2Very low48 Ų4870.4 Ų70.425%0.24637%0.373CS..Hα-helixtrans-55.9-30.7174.5-76.2175.2000111.9H443 V444 L450 P451 E452H443-I448 HydrophobicContact CB-CG1 4.14Å; H443-I448 VanDerWaalsContact O-CD1 3.26Å; H443-I448 WeakPolarHBondContact O-CD1 3.48Å; H443-I448 WeakPolarHBondContact O-CG1 3.35Å; V444-I448 WeakPolarHBondContact O-CG1 3.34Å; V444-I448 PolarHBondContact O-N 3.05Å; I448-L450 PolarHBondContact O-N 3.19Å; I448-P451 VanDerWaalsContact O-CD 3.28Å; I448-P451 WeakPolarHBondContact O-CD 3.48Å; I448-E452 HydrophobicContact CG2-CB 4.3Å; I448-E452 HydrophobicContact CG2-CG 3.61Å; I448-E452 WeakPolarHBondContact CG2-OE1 3.2Å; I448-E452 WeakPolarHBondContact CG2-OE2 3.46Å; I448-E452 WeakPolarHBondContact O-CB 3.45Å; I448-E452 PolarHBondContact O-N 3.08Å
449R34.6Very low47Very low119 Ų11976.6 Ų76.645%0.44940%0.402SS..Hα-helixtrans-57-32.3-179.4-66.8-161.9-173.8-154.6-0.7113.4A447 L453 D743A447-R449 PolarHBondContact O-N 3.47Å; R449-L453 WeakPolarHBondContact O-CB 3.43Å; R449-L453 PolarHBondContact O-N 3.35Å; R449-D743 VanDerWaalsContact CD-OD2 3.23Å; R449-D743 WeakPolarHBondContact CD-OD2 3.32Å; R449-D743 IonicContact CZ-OD2 2.65Å; R449-D743 IonicContact NE-OD2 2.75Å; R449-D743 VanDerWaalsContact NH1-CG 3.26Å; R449-D743 IonicContact NH1-OD1 3.52Å; R449-D743 IonicContact NH1-OD2 3.46Å; R449-D743 PolarHBondContact NH1-OD2 3.27Å
450L37.2Very low44.6Very low138 Ų13883.6 Ų83.672%0.72343%0.429SS*.Hα-helixtrans-68.4-54.5178-91.475.1000111.9A447 I448 L453 G454A447-L450 PolarHBondContact O-N 3.12Å; I448-L450 PolarHBondContact O-N 3.19Å; L450-L453 PolarHBondContact O-N 3.02Å; L450-G454 PolarHBondContact O-N 2.75Å
451P39.5Very low42Very low71 Ų7186.2 Ų86.246%0.46145%0.448SS..Hα-helixtrans-62.5-37.4173.8-27.636.4000114.8A447 I448 G454 H455A447-P451 VanDerWaalsContact O-CD 3.24Å; A447-P451 WeakPolarHBondContact O-CD 3.39Å; I448-P451 VanDerWaalsContact O-CD 3.28Å; I448-P451 WeakPolarHBondContact O-CD 3.48Å; P451-G454 PolarHBondContact O-N 3.45Å; P451-H455 PolarHBondContact O-N 3.22Å
452E37.1Very low40Very low127 Ų12787.2 Ų87.259%0.59347%0.471SS*.Hα-helixtrans-71.3-38.1177.7-79.4-175.7174.900112.3I448 G454 H455 W456I448-E452 HydrophobicContact CG2-CB 4.3Å; I448-E452 HydrophobicContact CG2-CG 3.61Å; I448-E452 WeakPolarHBondContact CG2-OE1 3.2Å; I448-E452 WeakPolarHBondContact CG2-OE2 3.46Å; I448-E452 WeakPolarHBondContact O-CB 3.45Å; I448-E452 PolarHBondContact O-N 3.08Å; E452-G454 VanDerWaalsContact C-N 3.29Å; E452-G454 PolarHBondContact O-N 3.1Å; E452-H455 PolarHBondContact O-N 3.26Å; E452-W456 WeakPolarHBondContact O-CB 3.29Å; E452-W456 PolarHBondContact O-N 2.81Å
453L32.7Very low39.6Very low95 Ų9593.8 Ų93.850%0.49750%0.496SS..Hα-helixtrans-61.4-41.1168.8-17765000110.5R449 L450 W456 L457R449-L453 WeakPolarHBondContact O-CB 3.43Å; R449-L453 PolarHBondContact O-N 3.35Å; L450-L453 PolarHBondContact O-N 3.02Å; L453-W456 HydrophobicContact CD1-CE3 4.14Å; L453-W456 PolarHBondContact O-N 2.91Å; L453-L457 HydrophobicContact CD1-CD1 4.43Å; L453-L457 HydrophobicContact CD1-CG 4.43Å; L453-L457 HydrophobicContact CG-CD1 4.03Å; L453-L457 HydrophobicContact CG-CG 4.47Å; L453-L457 VanDerWaalsContact O-CB 3.3Å; L453-L457 WeakPolarHBondContact O-CB 3.47Å; L453-L457 WeakPolarHBondContact O-CD1 3.5Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 3.33Å
454G35.2Very low39.5Very low31 Ų3194.4 Ų94.432%0.3250%0.499SS..Hα-helixtrans-58.9-45.6173.400000113.1L450 P451 E452 C458L450-G454 PolarHBondContact O-N 2.75Å; P451-G454 PolarHBondContact O-N 3.45Å; E452-G454 VanDerWaalsContact C-N 3.29Å; E452-G454 PolarHBondContact O-N 3.1Å; G454-C458 PolarHBondContact O-N 2.93Å; G454-C458 PolarHBondContact O-SG 3.4Å
455H34.3Very low40.1Very low135 Ų13595.5 Ų95.563%0.62551%0.506SS*.Hα-helixtrans-68.8-40.6177-104-89.6000112.8P451 E452 C458 E459P451-H455 PolarHBondContact O-N 3.22Å; E452-H455 PolarHBondContact O-N 3.26Å; H455-C458 WeakPolarHBondContact O-CB 3.33Å; H455-C458 PolarHBondContact O-N 3.41Å; H455-C458 VanDerWaalsContact O-N 3.09Å; H455-E459 PolarHBondContact O-N 2.86Å
456W33.3Very low41.2Very low135 Ų13597.1 Ų97.151%0.51151%0.509SS..Hα-helixtrans-64.1-40.3176.9-177.986.9000111.9E452 L453 C458 E459 Y460E452-W456 WeakPolarHBondContact O-CB 3.29Å; E452-W456 PolarHBondContact O-N 2.81Å; L453-W456 HydrophobicContact CD1-CE3 4.14Å; L453-W456 PolarHBondContact O-N 2.91Å; W456-C458 VanDerWaalsContact C-N 3.32Å; W456-E459 PolarHBondContact O-N 3.02Å; W456-Y460 PolarHBondContact O-N 3.02Å
457L33.6Very low42.5Very low92 Ų9298.1 Ų98.148%0.48251%0.509SS..Hα-helixtrans-62.2-37.5169.8-72.3167.9000111.7L453L453-L457 HydrophobicContact CD1-CD1 4.43Å; L453-L457 HydrophobicContact CD1-CG 4.43Å; L453-L457 HydrophobicContact CG-CD1 4.03Å; L453-L457 HydrophobicContact CG-CG 4.47Å; L453-L457 VanDerWaalsContact O-CB 3.3Å; L453-L457 WeakPolarHBondContact O-CB 3.47Å; L453-L457 WeakPolarHBondContact O-CD1 3.5Å; L453-L457 WeakPolarHBondContact O-CG 3.46Å; L453-L457 PolarHBondContact O-N 3.33Å
458C36.3Very low44.1Very low93 Ų9399.2 Ų99.263%0.62851%0.511SS*.Hα-helixtrans-67.7-39.3176.1-67.30000113.5G454 H455 W456 S461G454-C458 PolarHBondContact O-N 2.93Å; G454-C458 PolarHBondContact O-SG 3.4Å; H455-C458 WeakPolarHBondContact O-CB 3.33Å; H455-C458 PolarHBondContact O-N 3.41Å; H455-C458 VanDerWaalsContact O-N 3.09Å; W456-C458 VanDerWaalsContact C-N 3.32Å; C458-S461 PolarHBondContact O-OG 3.41Å
459E39.2Very low45.9Very low154 Ų15498.5 Ų98.572%0.7251%0.506SS*.Hα-helixtrans-82.4-26.6-173.1-73.8-162.7136.800115.3H455 W456H455-E459 PolarHBondContact O-N 2.86Å; W456-E459 PolarHBondContact O-N 3.02Å
460Y37.7Very low48.2Very low155 Ų15599.4 Ų99.461%0.60851%0.514SS*.  trans-101.817.1-172.8-79.6-89.3000115.2W456 A462W456-Y460 PolarHBondContact O-N 3.02Å; Y460-A462 PolarHBondContact O-N 3.42Å
461S31.9Very low50.3Low66 Ų6698.9 Ų98.946%0.46251%0.506SS..THydrogen-bonded Turntrans-6713.1-166.645.80000117.5C458 E464C458-S461 PolarHBondContact O-OG 3.41Å; S461-E464 WeakPolarHBondContact CA-OE1 3.24Å; S461-E464 VanDerWaalsContact CB-OE1 3.22Å; S461-E464 WeakPolarHBondContact CB-OE1 3.46Å
462A39.5Very low52.4Low99 Ų9996.1 Ų96.182%0.81849%0.487SS*.THydrogen-bonded Turntrans-98.37.8179.300000115.1Y460Y460-A462 PolarHBondContact O-N 3.42Å
463K52.1Low54.8Low166 Ų16692.2 Ų92.272%0.72247%0.47SS*.SBendtrans-141.916.4-179.6-70.5-172.3178.1175.10114.7V465 I467K463-V465 PolarHBondContact O-N 2.71Å; K463-I467 HydrophobicContact CB-CD1 4.26Å
464E54.9Low57.3Low88 Ų8892 Ų9241%0.41147%0.467SS..Hα-helixtrans-65.1-39-159.5-58.8-173.4139.600115S461 D466 I467 L468S461-E464 WeakPolarHBondContact CA-OE1 3.24Å; S461-E464 VanDerWaalsContact CB-OE1 3.22Å; S461-E464 WeakPolarHBondContact CB-OE1 3.46Å; E464-D466 PolarHBondContact O-N 2.81Å; E464-I467 WeakPolarHBondContact O-CA 3.28Å; E464-I467 WeakPolarHBondContact O-CB 3.37Å; E464-I467 PolarHBondContact O-N 3.49Å; E464-L468 PolarHBondContact O-N 3.29Å
465V62.4Low59.6Low45 Ų4593 Ų9327%0.27347%0.467SS..Hα-helixtrans-56.2-47.9-175.3-175.50000111.7K463 I467 L468 K469 F512K463-V465 PolarHBondContact O-N 2.71Å; V465-I467 VanDerWaalsContact C-N 3.28Å; V465-I467 PolarHBondContact O-N 3.28Å; V465-L468 PolarHBondContact O-N 2.8Å; V465-K469 HydrophobicContact CG1-CD 4.24Å; V465-K469 WeakPolarHBondContact O-CB 3.45Å; V465-K469 VanDerWaalsContact O-CG 3.29Å; V465-K469 WeakPolarHBondContact O-CG 3.48Å; V465-K469 PolarHBondContact O-N 3.32Å; V465-F512 HydrophobicContact CG2-CD2 4.1Å; V465-F512 HydrophobicContact CG2-CE2 3.93Å
466D68.2Low62Low97 Ų9789.1 Ų89.152%0.51945%0.45SS..Hα-helixtrans-73.6-19.4-180-77.2-8.7000113.3E464 K469 K470E464-D466 PolarHBondContact O-N 2.81Å; D466-K469 IonicContact OD1-NZ 3.95Å; D466-K470 VanDerWaalsContact O-CD 3.24Å; D466-K470 WeakPolarHBondContact O-CD 3.46Å; D466-K470 WeakPolarHBondContact O-CE 3.43Å; D466-K470 VanDerWaalsContact O-CG 3.24Å; D466-K470 WeakPolarHBondContact O-CG 3.28Å; D466-K470 PolarHBondContact O-N 3.38Å
467I69.2Low64.6Low86 Ų8690.9 Ų90.944%0.44146%0.461SS..Hα-helixtrans-78.4-46.3172.9-63170.9000109.2K463 E464 V465 K470 K471K463-I467 HydrophobicContact CB-CD1 4.26Å; E464-I467 WeakPolarHBondContact O-CA 3.28Å; E464-I467 WeakPolarHBondContact O-CB 3.37Å; E464-I467 PolarHBondContact O-N 3.49Å; V465-I467 VanDerWaalsContact C-N 3.28Å; V465-I467 PolarHBondContact O-N 3.28Å; I467-K470 PolarHBondContact O-N 3.35Å; I467-K471 PolarHBondContact O-N 3.09Å
468L73.5Confident67.2Low44 Ų4492.6 Ų92.623%0.2347%0.47CS..Hα-helixtrans-65.2-43177.3-172.564.5000111.5E464 V465 K470 K471 V472 L485 F512 I516E464-L468 PolarHBondContact O-N 3.29Å; V465-L468 PolarHBondContact O-N 2.8Å; L468-K470 VanDerWaalsContact C-N 3.28Å; L468-K470 PolarHBondContact O-N 3.43Å; L468-K471 PolarHBondContact O-N 3.06Å; L468-K471 VanDerWaalsContact O-N 3.09Å; L468-V472 HydrophobicContact CD1-CG2 4.2Å; L468-V472 HydrophobicContact CG-CG2 4.07Å; L468-V472 WeakPolarHBondContact O-CB 3.38Å; L468-V472 VanDerWaalsContact O-CG2 3.28Å; L468-V472 WeakPolarHBondContact O-CG2 3.47Å; L468-V472 PolarHBondContact O-N 2.87Å; L468-L485 HydrophobicContact CD2-CD2 4.19Å; L468-F512 HydrophobicContact CB-CZ 4.38Å; L468-F512 HydrophobicContact CD2-CE1 3.41Å; L468-F512 VanDerWaalsContact CD2-CE1 3.41Å; L468-F512 HydrophobicContact CD2-CZ 3.35Å; L468-F512 HydrophobicContact CG-CZ 4.48Å; L468-I516 HydrophobicContact CB-CD1 4.42Å; L468-I516 HydrophobicContact CD2-CD1 3.97Å; L468-I516 HydrophobicContact CD2-CG1 4.09Å; L468-I516 HydrophobicContact CG-CD1 4.16Å
469K81.9Confident69.7Low33 Ų3390.3 Ų90.314%0.14346%0.462CS..Hα-helixtrans-51.4-45.8173.1-76.6171.5-177.2161.20112.1V465 D466 V472 D473 E515 I516 H519V465-K469 HydrophobicContact CG1-CD 4.24Å; V465-K469 WeakPolarHBondContact O-CB 3.45Å; V465-K469 VanDerWaalsContact O-CG 3.29Å; V465-K469 WeakPolarHBondContact O-CG 3.48Å; V465-K469 PolarHBondContact O-N 3.32Å; D466-K469 IonicContact OD1-NZ 3.95Å; K469-V472 PolarHBondContact O-N 3.16Å; K469-D473 WeakPolarHBondContact O-CB 3.18Å; K469-D473 PolarHBondContact O-N 2.98Å; K469-E515 VanDerWaalsContact CE-OE1 3.29Å; K469-E515 WeakPolarHBondContact CE-OE1 3.48Å; K469-E515 IonicContact NZ-OE1 3.76Å; K469-E515 PolarHBondContact NZ-OE1 3.33Å; K469-I516 HydrophobicContact CG-CD1 3.94Å; K469-H519 HydrophobicContact CG-CB 4.48Å
470K82.1Confident72Confident138 Ų13885.3 Ų85.360%0.644%0.444SS*.Hα-helixtrans-65.6-40.1177.2-71165.9-169.1164.60113D466 I467 L468 V472 D473 Q474D466-K470 VanDerWaalsContact O-CD 3.24Å; D466-K470 WeakPolarHBondContact O-CD 3.46Å; D466-K470 WeakPolarHBondContact O-CE 3.43Å; D466-K470 VanDerWaalsContact O-CG 3.24Å; D466-K470 WeakPolarHBondContact O-CG 3.28Å; D466-K470 PolarHBondContact O-N 3.38Å; I467-K470 PolarHBondContact O-N 3.35Å; L468-K470 VanDerWaalsContact C-N 3.28Å; L468-K470 PolarHBondContact O-N 3.43Å; K470-V472 VanDerWaalsContact C-N 3.34Å; K470-D473 PolarHBondContact O-N 3.03Å; K470-Q474 WeakPolarHBondContact O-CB 3.32Å; K470-Q474 PolarHBondContact O-N 2.96Å
471K82Confident74.4Confident127 Ų12785.1 Ų85.155%0.55244%0.442SS*.Hα-helixtrans-64.8-40.2175.1-171.5173.3-177.51750111.1I467 L468 Q474 V475I467-K471 PolarHBondContact O-N 3.09Å; L468-K471 PolarHBondContact O-N 3.06Å; L468-K471 VanDerWaalsContact O-N 3.09Å; K471-Q474 WeakPolarHBondContact O-CB 3.31Å; K471-Q474 PolarHBondContact O-N 2.71Å; K471-V475 WeakPolarHBondContact O-CG2 3.41Å; K471-V475 PolarHBondContact O-N 2.62Å
472V83Confident77.3Confident12 Ų1284.6 Ų84.67%0.07344%0.442CS..Hα-helixtrans-66.5-43.2175.2169.40000111.3L468 K469 K470 Q474 V475 L476 F483 I516 L520L468-V472 HydrophobicContact CD1-CG2 4.2Å; L468-V472 HydrophobicContact CG-CG2 4.07Å; L468-V472 WeakPolarHBondContact O-CB 3.38Å; L468-V472 VanDerWaalsContact O-CG2 3.28Å; L468-V472 WeakPolarHBondContact O-CG2 3.47Å; L468-V472 PolarHBondContact O-N 2.87Å; K469-V472 PolarHBondContact O-N 3.16Å; K470-V472 VanDerWaalsContact C-N 3.34Å; V472-Q474 VanDerWaalsContact C-N 3.3Å; V472-Q474 PolarHBondContact O-N 2.91Å; V472-V475 PolarHBondContact O-N 3.43Å; V472-L476 WeakPolarHBondContact O-CB 3.32Å; V472-L476 PolarHBondContact O-N 3.34Å; V472-F483 HydrophobicContact CG1-CD1 4.48Å; V472-F483 HydrophobicContact CG1-CE1 4.07Å; V472-I516 HydrophobicContact CG1-CG2 4.44Å; V472-I516 HydrophobicContact CG2-CG2 4.23Å; V472-L520 HydrophobicContact CG1-CD1 3.63Å; V472-L520 HydrophobicContact CG1-CD2 3.44Å; V472-L520 VanDerWaalsContact CG1-CD2 3.44Å; V472-L520 HydrophobicContact CG1-CG 3.45Å; V472-L520 VanDerWaalsContact CG1-CG 3.45Å
473D87.1Confident79.8Confident45 Ų4581 Ų8124%0.24141%0.408CS..Hα-helixtrans-60.4-37172.9-72.2-26.8000112.5K469 K470 K477 H519K469-D473 WeakPolarHBondContact O-CB 3.18Å; K469-D473 PolarHBondContact O-N 2.98Å; K470-D473 PolarHBondContact O-N 3.03Å; D473-K477 WeakPolarHBondContact O-CB 3.16Å; D473-K477 WeakPolarHBondContact O-CD 3.36Å; D473-K477 WeakPolarHBondContact O-CG 3.17Å; D473-K477 PolarHBondContact O-N 3.46Å; D473-H519 IonicContact OD1-CD2 2.69Å; D473-H519 IonicContact OD1-CE1 3.54Å; D473-H519 IonicContact OD1-NE2 2.74Å; D473-H519 PolarHBondContact OD1-NE2 3.41Å; D473-H519 IonicContact OD2-CE1 3.65Å; D473-H519 IonicContact OD2-NE2 2.86Å; D473-H519 PolarHBondContact OD2-NE2 2.87Å
474Q86.7Confident81.7Confident91 Ų9175.5 Ų75.543%0.42539%0.394SS..Hα-helixtrans-66.2-47.3175.5-176178.73.400110.8K470 K471 V472 L476 K477 L478K470-Q474 WeakPolarHBondContact O-CB 3.32Å; K470-Q474 PolarHBondContact O-N 2.96Å; K471-Q474 WeakPolarHBondContact O-CB 3.31Å; K471-Q474 PolarHBondContact O-N 2.71Å; V472-Q474 VanDerWaalsContact C-N 3.3Å; V472-Q474 PolarHBondContact O-N 2.91Å; Q474-L476 VanDerWaalsContact C-N 3.33Å; Q474-L476 PolarHBondContact O-N 3.02Å; Q474-K477 WeakPolarHBondContact O-CB 3.45Å; Q474-K477 PolarHBondContact O-N 2.99Å; Q474-K477 VanDerWaalsContact O-N 3.16Å; Q474-L478 WeakPolarHBondContact O-CG 3.29Å; Q474-L478 PolarHBondContact O-N 3.22Å
475V83Confident83.5Confident52 Ų5272.6 Ų72.632%0.31538%0.38SS..Hα-helixtrans-64.7-35.9177171.20000111.9K471 V472 L478 C480 F483K471-V475 WeakPolarHBondContact O-CG2 3.41Å; K471-V475 PolarHBondContact O-N 2.62Å; V472-V475 PolarHBondContact O-N 3.43Å; V475-L478 PolarHBondContact O-N 3.21Å; V475-C480 HydrophobicContact CG1-CB 3.5Å; V475-C480 VanDerWaalsContact CG1-CB 3.5Å; V475-C480 VanDerWaalsContact O-CB 3.31Å; V475-C480 WeakPolarHBondContact O-CB 3.34Å; V475-C480 PolarHBondContact O-N 2.99Å; V475-F483 HydrophobicContact CB-CE1 4.21Å; V475-F483 HydrophobicContact CG1-CE1 3.68Å; V475-F483 HydrophobicContact CG1-CZ 4.14Å
476L84.3Confident85Confident53 Ų5374.7 Ų74.728%0.27739%0.39SS..Hα-helixtrans-63.8-40.6171.8-17373.2000111.9V472 Q474 L478 G479 R481 F483 L520V472-L476 WeakPolarHBondContact O-CB 3.32Å; V472-L476 PolarHBondContact O-N 3.34Å; Q474-L476 VanDerWaalsContact C-N 3.33Å; Q474-L476 PolarHBondContact O-N 3.02Å; L476-L478 VanDerWaalsContact C-N 3.33Å; L476-L478 PolarHBondContact O-N 3.31Å; L476-G479 PolarHBondContact O-N 3.06Å; L476-G479 VanDerWaalsContact O-N 3.12Å; L476-R481 PolarHBondContact O-NH1 3.5Å; L476-F483 HydrophobicContact CB-CZ 4.34Å; L476-F483 HydrophobicContact CD1-CE2 4.27Å; L476-F483 HydrophobicContact CD1-CZ 4.33Å; L476-L520 HydrophobicContact CB-CD2 4.41Å; L476-L520 HydrophobicContact CD1-CD2 3.95Å; L476-L520 HydrophobicContact CD2-CD2 4.26Å; L476-L520 HydrophobicContact CG-CD2 4.44Å
477K87.3Confident86.1Confident172 Ų17271.4 Ų71.475%0.74837%0.371SS*.Hα-helixtrans-67.1-30.9175.2-73161-170.2164.90112.9D473 Q474 G479D473-K477 WeakPolarHBondContact O-CB 3.16Å; D473-K477 WeakPolarHBondContact O-CD 3.36Å; D473-K477 WeakPolarHBondContact O-CG 3.17Å; D473-K477 PolarHBondContact O-N 3.46Å; Q474-K477 WeakPolarHBondContact O-CB 3.45Å; Q474-K477 PolarHBondContact O-N 2.99Å; Q474-K477 VanDerWaalsContact O-N 3.16Å; K477-G479 PolarHBondContact O-N 3.16Å
478L89.6Confident87Confident128 Ų12868.9 Ų68.967%0.6736%0.358SS*.THydrogen-bonded Turntrans-72.81.5171.9-66.2172.5000113.7Q474 V475 L476Q474-L478 WeakPolarHBondContact O-CG 3.29Å; Q474-L478 PolarHBondContact O-N 3.22Å; V475-L478 PolarHBondContact O-N 3.21Å; L476-L478 VanDerWaalsContact C-N 3.33Å; L476-L478 PolarHBondContact O-N 3.31Å
479G87.5Confident87.1Confident45 Ų4573.7 Ų73.746%0.46438%0.384SS..THydrogen-bonded Turntrans96.5-3.1173.100000115.1L476 K477 R481L476-G479 PolarHBondContact O-N 3.06Å; L476-G479 VanDerWaalsContact O-N 3.12Å; K477-G479 PolarHBondContact O-N 3.16Å; G479-R481 PolarHBondContact O-NH1 3.31Å
480C87.4Confident86.9Confident49 Ų4975.8 Ų75.833%0.33140%0.396SS..  trans-64.7141.4174.7-169.60000111.3V475 A482 F483V475-C480 HydrophobicContact CG1-CB 3.5Å; V475-C480 VanDerWaalsContact CG1-CB 3.5Å; V475-C480 VanDerWaalsContact O-CB 3.31Å; V475-C480 WeakPolarHBondContact O-CB 3.34Å; V475-C480 PolarHBondContact O-N 2.99Å; C480-A482 PolarHBondContact SG-O 3.25Å; C480-F483 HydrophobicContact CB-CZ 4.38Å
481R89.7Confident86.6Confident151 Ų15177.3 Ų77.357%0.5740%0.403SS*.  trans-132.5-9-178.3-63.6-65.7176.8-92.83.1114.4L476 G479L476-R481 PolarHBondContact O-NH1 3.5Å; G479-R481 PolarHBondContact O-NH1 3.31Å
482A91.4Very high86.1Confident55 Ų5574.1 Ų74.146%0.45540%0.395SS..EExtended strand (participates in β ladder)trans-116.5131.1178.500000108.6C480 V525C480-A482 PolarHBondContact SG-O 3.25Å; A482-V525 WeakPolarHBondContact CA-O 3.28Å; A482-V525 HydrophobicContact CB-CB 3.77Å; A482-V525 HydrophobicContact CB-CG1 3.79Å
483F92.7Very high85.7Confident24 Ų2483.4 Ų83.411%0.10543%0.429CS..EExtended strand (participates in β ladder)trans-131152.9-172.8-67.4-95.3000111.1V472 V475 L476 C480 L520 V525 F526 L527V472-F483 HydrophobicContact CG1-CD1 4.48Å; V472-F483 HydrophobicContact CG1-CE1 4.07Å; V475-F483 HydrophobicContact CB-CE1 4.21Å; V475-F483 HydrophobicContact CG1-CE1 3.68Å; V475-F483 HydrophobicContact CG1-CZ 4.14Å; L476-F483 HydrophobicContact CB-CZ 4.34Å; L476-F483 HydrophobicContact CD1-CE2 4.27Å; L476-F483 HydrophobicContact CD1-CZ 4.33Å; C480-F483 HydrophobicContact CB-CZ 4.38Å; F483-L520 HydrophobicContact CB-CD1 4.14Å; F483-L520 HydrophobicContact CD1-CD1 4.02Å; F483-L520 HydrophobicContact CD2-CD1 3.63Å; F483-L520 HydrophobicContact CD2-CD2 4.04Å; F483-L520 HydrophobicContact CD2-CG 4.47Å; F483-L520 HydrophobicContact CE1-CD1 4.34Å; F483-L520 HydrophobicContact CE1-CD2 4.19Å; F483-L520 HydrophobicContact CE2-CD1 3.99Å; F483-L520 HydrophobicContact CE2-CD2 3.5Å; F483-L520 VanDerWaalsContact CE2-CD2 3.5Å; F483-L520 HydrophobicContact CE2-CG 4.39Å; F483-L520 HydrophobicContact CG-CD1 3.66Å; F483-L520 HydrophobicContact CZ-CD1 4.33Å; F483-L520 HydrophobicContact CZ-CD2 3.59Å; F483-V525 PolarHBondContact N-O 2.97Å; F483-F526 HydrophobicContact CB-CD2 3.7Å; F483-F526 HydrophobicContact CB-CE2 3.73Å; F483-F526 CarbonylContact O-C 3.55Å; F483-F526 WeakPolarHBondContact O-CA 3.48Å; F483-L527 PolarHBondContact O-N 2.95Å
484A92.7Very high85Confident51 Ų5182.1 Ų82.142%0.42142%0.422SS..EExtended strand (participates in β ladder)trans-135.3140.9173.400000109.9L486 L527A484-L486 HydrophobicContact CB-CD2 4.04Å; A484-L527 CarbonylContact C-O 3.33Å; A484-L527 WeakPolarHBondContact CA-O 3.2Å; A484-L527 HydrophobicContact CB-CB 3.91Å; A484-L527 HydrophobicContact CB-CD1 4.5Å
485L92.7Very high84.4Confident26 Ų2680.3 Ų80.314%0.13642%0.419CS..EExtended strand (participates in β ladder)trans-117.2122164.9-67.2177.6000108.4L468 F487 F512 A513 I516 F526 L527 F528 C529L468-L485 HydrophobicContact CD2-CD2 4.19Å; L485-F487 HydrophobicContact CB-CE2 3.95Å; L485-F512 HydrophobicContact CD1-CD1 4.23Å; L485-F512 HydrophobicContact CD1-CE1 4.4Å; L485-A513 HydrophobicContact CD1-CB 4.1Å; L485-I516 HydrophobicContact CD1-CB 4.15Å; L485-I516 HydrophobicContact CD1-CG1 4.3Å; L485-I516 HydrophobicContact CD1-CG2 4.34Å; L485-F526 HydrophobicContact CD1-CE1 4.08Å; L485-F526 HydrophobicContact CD1-CZ 3.69Å; L485-F526 HydrophobicContact CG-CE1 4.21Å; L485-F526 HydrophobicContact CG-CZ 3.81Å; L485-L527 PolarHBondContact N-O 3.39Å; L485-F528 WeakPolarHBondContact O-CA 3.13Å; L485-C529 PolarHBondContact O-N 2.77Å
486L92.7Very high84Confident89 Ų8982.9 Ų82.947%0.46644%0.436SS..EExtended strand (participates in β ladder)trans-109.4125.7-174.7-43.5178000109A484 D488 C529 I562A484-L486 HydrophobicContact CB-CD2 4.04Å; L486-D488 WeakPolarHBondContact CB-OD1 3.48Å; L486-C529 HydrophobicContact CB-CB 4.09Å; L486-C529 HydrophobicContact CD2-CB 3.7Å; L486-I562 HydrophobicContact CD2-CD1 3.59Å
487F91.7Very high83.1Confident29 Ų2983.2 Ų83.213%0.12745%0.447CS..  trans-121.328.4176.5-63.5-92.2000111L485 I490 H509 F512 F528 C529 T531L485-F487 HydrophobicContact CB-CE2 3.95Å; F487-I490 HydrophobicContact CB-CD1 3.98Å; F487-I490 HydrophobicContact CD1-CD1 3.95Å; F487-I490 HydrophobicContact CG-CD1 4.49Å; F487-I490 WeakPolarHBondContact O-CG1 3.42Å; F487-H509 HydrophobicContact CD1-CB 3.88Å; F487-H509 AromaticContact CD1-CD2 3.81Å; F487-H509 AromaticContact CD1-CE1 3.91Å; F487-H509 AromaticContact CD1-CG 3.46Å; F487-H509 VanDerWaalsContact CD1-CG 3.46Å; F487-H509 AromaticContact CD1-ND1 3.53Å; F487-H509 HydrophobicContact CD2-CB 4.27Å; F487-H509 HydrophobicContact CE1-CB 3.77Å; F487-H509 AromaticContact CE1-CD2 3.82Å; F487-H509 AromaticContact CE1-CG 3.65Å; F487-H509 HydrophobicContact CE2-CB 4.17Å; F487-H509 HydrophobicContact CG-CB 4.13Å; F487-H509 AromaticContact CG-CG 3.99Å; F487-H509 AromaticContact CG-ND1 3.82Å; F487-H509 HydrophobicContact CZ-CB 3.92Å; F487-F512 HydrophobicContact CZ-CD1 4.07Å; F487-F528 HydrophobicContact CD2-CD2 4.02Å; F487-F528 AromaticContact CD2-CE2 3.5Å; F487-F528 HydrophobicContact CD2-CE2 3.5Å; F487-F528 HydrophobicContact CD2-CZ 4.16Å; F487-F528 AromaticContact CE2-CD2 3.96Å; F487-F528 HydrophobicContact CE2-CD2 3.96Å; F487-F528 AromaticContact CE2-CE2 3.49Å; F487-F528 HydrophobicContact CE2-CE2 3.49Å; F487-F528 VanDerWaalsContact CE2-CE2 3.49Å; F487-F528 HydrophobicContact CE2-CZ 4.47Å; F487-C529 WeakPolarHBondContact CB-O 3.48Å; F487-C529 PolarHBondContact N-O 3.46Å; F487-T531 WeakPolarHBondContact O-CA 3.48Å; F487-T531 VanDerWaalsContact O-CB 3.25Å; F487-T531 WeakPolarHBondContact O-CB 3.05Å; F487-T531 PolarHBondContact O-N 3.35Å; F487-T531 PolarHBondContact O-OG1 3.26Å
488D87.7Confident82.4Confident32 Ų3277.9 Ų77.917%0.17143%0.426CS..  trans-70.4161.7168.451.9-25.8000112.3L486 I490 Y533 W592L486-D488 WeakPolarHBondContact CB-OD1 3.48Å; D488-I490 PolarHBondContact O-N 3.47Å; D488-Y533 HydrophobicContact CB-CD1 3.7Å; D488-Y533 HydrophobicContact CB-CE1 3.47Å; D488-Y533 VanDerWaalsContact CB-CE1 3.47Å; D488-Y533 HydrophobicContact CB-CG 4.46Å; D488-W592 VanDerWaalsContact OD2-CH2 3.28Å; D488-W592 WeakPolarHBondContact OD2-CH2 3.35Å; D488-W592 VanDerWaalsContact OD2-CZ3 3.27Å; D488-W592 WeakPolarHBondContact OD2-CZ3 3.49Å
489D76.9Confident81.9Confident145 Ų14579.5 Ų79.578%0.77542%0.424SS*.SBendtrans47.9-5.8-178.2-75.5-38000119.5Y533D489-Y533 PolarHBondContact OD1-OH 3.45Å
490I77.7Confident81.4Confident77 Ų7785.8 Ų85.840%0.39544%0.441SS..  trans-76.2143.9174.860.1170.7000111.9F487 D488 P492 T531F487-I490 HydrophobicContact CB-CD1 3.98Å; F487-I490 HydrophobicContact CD1-CD1 3.95Å; F487-I490 HydrophobicContact CG-CD1 4.49Å; F487-I490 WeakPolarHBondContact O-CG1 3.42Å; D488-I490 PolarHBondContact O-N 3.47Å; I490-P492 WeakPolarHBondContact O-CD 3.5Å; I490-T531 HydrophobicContact CG1-CG2 4.12Å; I490-T531 WeakPolarHBondContact O-CG2 3.31Å
491K75Confident80.7Confident170 Ų17088.7 Ų88.774%0.73946%0.457SS*.  trans-81.9115.1166.2-74.9168.5-177.6162.40107.8R493K491-R493 VanDerWaalsContact C-N 3.3Å; K491-R493 PolarHBondContact O-N 2.72Å
492P70.7Confident80.4Confident61 Ų6184.1 Ų84.140%0.39644%0.441SS..  trans-74.579.7-166.629.6-35.4000111.5I490 S505 T531I490-P492 WeakPolarHBondContact O-CD 3.5Å; P492-S505 VanDerWaalsContact C-OG 3.23Å; P492-S505 PolarHBondContact O-OG 3.12Å; P492-T531 HydrophobicContact CB-CG2 4.41Å; P492-T531 HydrophobicContact CG-CG2 4.25Å
493R75.6Confident80Confident207 Ų20788.2 Ų88.278%0.78146%0.456SS*.  trans-122.9102.5-174.1-70.1179.8171.4-171.5-2.7110.9K491K491-R493 VanDerWaalsContact C-N 3.3Å; K491-R493 PolarHBondContact O-N 2.72Å
494L72.5Confident79.8Confident18 Ų1888.2 Ų88.29%0.09446%0.459CS..  trans-56.3141.1169.4-68.8-168.9000112.6D498 R499 F502 A508L494-D498 HydrophobicContact CB-CB 3.82Å; L494-D498 HydrophobicContact CD1-CB 4.18Å; L494-D498 HydrophobicContact CD2-CB 3.82Å; L494-D498 HydrophobicContact CG-CB 4.13Å; L494-R499 HydrophobicContact CB-CG 3.69Å; L494-R499 HydrophobicContact CD1-CG 4.31Å; L494-R499 VanDerWaalsContact O-CZ 3.29Å; L494-R499 PolarHBondContact O-NE 2.83Å; L494-R499 PolarHBondContact O-NH2 2.94Å; L494-F502 HydrophobicContact CD1-CB 3.82Å; L494-F502 VanDerWaalsContact CD1-O 3.31Å; L494-F502 WeakPolarHBondContact CD1-O 3.17Å; L494-A508 HydrophobicContact CD2-CB 3.76Å
495C73.7Confident79.6Confident53 Ų5386.7 Ų86.736%0.35845%0.445SS..  trans-70.9172.9170.389.30000110.7A497 D498 R499C495-A497 VanDerWaalsContact C-N 3.34Å; C495-A497 PolarHBondContact O-N 3.29Å; C495-A497 PolarHBondContact SG-N 2.7Å; C495-D498 WeakPolarHBondContact CB-OD2 3.45Å; C495-D498 PolarHBondContact N-OD2 2.71Å; C495-D498 PolarHBondContact O-N 2.75Å; C495-D498 PolarHBondContact SG-N 2.67Å; C495-D498 PolarHBondContact SG-OD2 2.95Å; C495-R499 WeakPolarHBondContact O-CG 3.44Å; C495-R499 PolarHBondContact O-N 3.37Å
496P74.3Confident79.5Confident105 Ų10585.6 Ų85.668%0.68244%0.44SS*.THydrogen-bonded Turntrans-56.6-43.4178.9-26.236.2000113.7R499P496-R499 PolarHBondContact O-N 3.27Å
497A66.7Low79.4Confident60 Ų6085.8 Ų85.850%0.49643%0.434SS..THydrogen-bonded Turntrans-68.5-42.1-179.800000112.2C495 R499 E500C495-A497 VanDerWaalsContact C-N 3.34Å; C495-A497 PolarHBondContact O-N 3.29Å; C495-A497 PolarHBondContact SG-N 2.7Å; A497-R499 PolarHBondContact O-N 2.78Å; A497-E500 WeakPolarHBondContact O-CB 3.38Å; A497-E500 PolarHBondContact O-N 2.84Å
498D72.3Confident79.2Confident60 Ų6084.9 Ų84.932%0.32143%0.432SS..Hα-helixtrans-59.9-32.6177.5-60.2-42.8000112.3L494 C495 E500 V501 F502L494-D498 HydrophobicContact CB-CB 3.82Å; L494-D498 HydrophobicContact CD1-CB 4.18Å; L494-D498 HydrophobicContact CD2-CB 3.82Å; L494-D498 HydrophobicContact CG-CB 4.13Å; C495-D498 WeakPolarHBondContact CB-OD2 3.45Å; C495-D498 PolarHBondContact N-OD2 2.71Å; C495-D498 PolarHBondContact O-N 2.75Å; C495-D498 PolarHBondContact SG-N 2.67Å; C495-D498 PolarHBondContact SG-OD2 2.95Å; D498-E500 PolarHBondContact O-N 3.25Å; D498-V501 PolarHBondContact O-N 3.49Å; D498-V501 VanDerWaalsContact O-N 3.1Å; D498-F502 HydrophobicContact CB-CD2 4.35Å; D498-F502 PolarHBondContact O-N 3.43Å
499R78.4Confident79.5Confident163 Ų16384.4 Ų84.462%0.61543%0.429SS*.Hα-helixtrans-70.3-16.7178-67172.4-156.5-169.36.4113.5L494 C495 P496 A497 V501L494-R499 HydrophobicContact CB-CG 3.69Å; L494-R499 HydrophobicContact CD1-CG 4.31Å; L494-R499 VanDerWaalsContact O-CZ 3.29Å; L494-R499 PolarHBondContact O-NE 2.83Å; L494-R499 PolarHBondContact O-NH2 2.94Å; C495-R499 WeakPolarHBondContact O-CG 3.44Å; C495-R499 PolarHBondContact O-N 3.37Å; P496-R499 PolarHBondContact O-N 3.27Å; A497-R499 PolarHBondContact O-N 2.78Å; R499-V501 VanDerWaalsContact C-N 3.35Å
500E76.8Confident80.2Confident177 Ų17777.5 Ų77.583%0.82739%0.392SS*.Hα-helixtrans-80.4-21.2171.8-58.4-174.3170.800111.6A497 D498A497-E500 WeakPolarHBondContact O-CB 3.38Å; A497-E500 PolarHBondContact O-N 2.84Å; D498-E500 PolarHBondContact O-N 3.25Å
501V73Confident80.8Confident109 Ų10976.2 Ų76.266%0.66139%0.385SS*.Hα-helixtrans-105-40.2-176.4-176.70000112.5D498 R499D498-V501 PolarHBondContact O-N 3.49Å; D498-V501 VanDerWaalsContact O-N 3.1Å; R499-V501 VanDerWaalsContact C-N 3.35Å
502F82.3Confident81.5Confident55 Ų5570.5 Ų70.524%0.24136%0.36CS..  trans-121.4128.5-173.4-54.6-71.2000111L494 D498 S504 R507 A508 M511L494-F502 HydrophobicContact CD1-CB 3.82Å; L494-F502 VanDerWaalsContact CD1-O 3.31Å; L494-F502 WeakPolarHBondContact CD1-O 3.17Å; D498-F502 HydrophobicContact CB-CD2 4.35Å; D498-F502 PolarHBondContact O-N 3.43Å; F502-S504 VanDerWaalsContact C-N 3.31Å; F502-S504 PolarHBondContact O-N 3.42Å; F502-R507 HydrophobicContact CD1-CG 4.24Å; F502-A508 HydrophobicContact CB-CB 4.06Å; F502-A508 HydrophobicContact CD1-CB 4.14Å; F502-A508 HydrophobicContact CD2-CB 3.59Å; F502-A508 HydrophobicContact CE1-CB 4.48Å; F502-A508 HydrophobicContact CE2-CB 3.98Å; F502-A508 HydrophobicContact CG-CB 3.67Å; F502-A508 HydrophobicContact CZ-CB 4.41Å; F502-M511 HydrophobicContact CE1-CB 4.07Å; F502-M511 HydrophobicContact CE1-CG 4.24Å
503N84Confident82.5Confident142 Ų14267.6 Ų67.676%0.75934%0.341SS*.SBendtrans-72.9-20.6177.263.6-34000113.7R507N503-R507 WeakPolarHBondContact OD1-CB 3.36Å
504S88.2Confident83.3Confident24 Ų2458.7 Ų58.717%0.16831%0.309CS..SBendtrans-150.6154.2176.375.90000111.9F502 A506 R507 A508F502-S504 VanDerWaalsContact C-N 3.31Å; F502-S504 PolarHBondContact O-N 3.42Å; S504-A506 PolarHBondContact O-N 3.5Å; S504-R507 WeakPolarHBondContact O-CB 3.36Å; S504-R507 PolarHBondContact O-N 3.28Å; S504-R507 PolarHBondContact OG-N 3.16Å; S504-A508 PolarHBondContact O-N 3.23Å; S504-A508 VanDerWaalsContact O-N 3.15Å
505S89.1Confident84.2Confident18 Ų1861.8 Ų61.813%0.12632%0.323CS..Hα-helixtrans-58.4-37.3174.8-38.10000111.6P492 R507 A508 H509P492-S505 VanDerWaalsContact C-OG 3.23Å; P492-S505 PolarHBondContact O-OG 3.12Å; S505-R507 VanDerWaalsContact C-N 3.32Å; S505-R507 PolarHBondContact O-N 3.31Å; S505-A508 PolarHBondContact O-N 3.43Å; S505-H509 PolarHBondContact O-CD2 2.76Å; S505-H509 PolarHBondContact O-N 3.01Å
506A91.1Very high85Confident4 Ų459.3 Ų59.33%0.03331%0.306CS..Hα-helixtrans-58.9-42174.300000112.2S504 V510 Y547 T550S504-A506 PolarHBondContact O-N 3.5Å; A506-V510 WeakPolarHBondContact O-CB 3.44Å; A506-V510 WeakPolarHBondContact O-CG2 3.19Å; A506-V510 PolarHBondContact O-N 3.45Å; A506-V510 VanDerWaalsContact O-N 3.09Å; A506-Y547 HydrophobicContact CB-CD1 4.27Å; A506-Y547 HydrophobicContact CB-CD2 3.46Å; A506-Y547 VanDerWaalsContact CB-CD2 3.46Å; A506-Y547 HydrophobicContact CB-CE2 3.8Å; A506-Y547 HydrophobicContact CB-CG 3.7Å; A506-T550 HydrophobicContact CB-CG2 3.88Å
507R90.7Very high85.9Confident92 Ų9255.2 Ų55.235%0.34728%0.277SS..Hα-helixtrans-65.6-40.6177-175.564.3-178-177.34.6111.3F502 N503 S504 S505 M511 T550 C554F502-R507 HydrophobicContact CD1-CG 4.24Å; N503-R507 WeakPolarHBondContact OD1-CB 3.36Å; S504-R507 WeakPolarHBondContact O-CB 3.36Å; S504-R507 PolarHBondContact O-N 3.28Å; S504-R507 PolarHBondContact OG-N 3.16Å; S505-R507 VanDerWaalsContact C-N 3.32Å; S505-R507 PolarHBondContact O-N 3.31Å; R507-M511 HydrophobicContact CG-CG 4.39Å; R507-M511 VanDerWaalsContact CZ-SD 3.59Å; R507-M511 PolarHBondContact NH2-SD 3.19Å; R507-M511 VanDerWaalsContact NH2-SD 3.42Å; R507-M511 WeakPolarHBondContact O-CB 3.49Å; R507-M511 WeakPolarHBondContact O-CG 3.25Å; R507-M511 PolarHBondContact O-N 3.02Å; R507-T550 HydrophobicContact CB-CG2 4.23Å; R507-C554 PolarHBondContact NH1-SG 3.28Å
508A87.7Confident87.1Confident10 Ų1056.8 Ų56.88%0.08328%0.277CS..Hα-helixtrans-62.3-54.1175.500000111.9L494 F502 S504 S505 V510 M511 F512L494-A508 HydrophobicContact CD2-CB 3.76Å; F502-A508 HydrophobicContact CB-CB 4.06Å; F502-A508 HydrophobicContact CD1-CB 4.14Å; F502-A508 HydrophobicContact CD2-CB 3.59Å; F502-A508 HydrophobicContact CE1-CB 4.48Å; F502-A508 HydrophobicContact CE2-CB 3.98Å; F502-A508 HydrophobicContact CG-CB 3.67Å; F502-A508 HydrophobicContact CZ-CB 4.41Å; S504-A508 PolarHBondContact O-N 3.23Å; S504-A508 VanDerWaalsContact O-N 3.15Å; S505-A508 PolarHBondContact O-N 3.43Å; A508-V510 VanDerWaalsContact C-N 3.29Å; A508-V510 PolarHBondContact O-N 3.35Å; A508-M511 PolarHBondContact O-N 3.41Å; A508-F512 WeakPolarHBondContact O-CB 3.47Å; A508-F512 PolarHBondContact O-N 3.42Å
509H92.5Very high88Confident22 Ų2257.5 Ų57.510%0.10228%0.278CS..Hα-helixtrans-58.3-41.3-177.5-57.7177.9000111.7F487 S505 A513 F528 Y547F487-H509 HydrophobicContact CD1-CB 3.88Å; F487-H509 AromaticContact CD1-CD2 3.81Å; F487-H509 AromaticContact CD1-CE1 3.91Å; F487-H509 AromaticContact CD1-CG 3.46Å; F487-H509 VanDerWaalsContact CD1-CG 3.46Å; F487-H509 AromaticContact CD1-ND1 3.53Å; F487-H509 HydrophobicContact CD2-CB 4.27Å; F487-H509 HydrophobicContact CE1-CB 3.77Å; F487-H509 AromaticContact CE1-CD2 3.82Å; F487-H509 AromaticContact CE1-CG 3.65Å; F487-H509 HydrophobicContact CE2-CB 4.17Å; F487-H509 HydrophobicContact CG-CB 4.13Å; F487-H509 AromaticContact CG-CG 3.99Å; F487-H509 AromaticContact CG-ND1 3.82Å; F487-H509 HydrophobicContact CZ-CB 3.92Å; S505-H509 PolarHBondContact O-CD2 2.76Å; S505-H509 PolarHBondContact O-N 3.01Å; H509-A513 WeakPolarHBondContact O-CB 3.43Å; H509-A513 PolarHBondContact O-N 3.08Å; H509-F528 HydrophobicContact CB-CE2 4.32Å; H509-F528 HydrophobicContact CB-CZ 4.25Å; H509-Y547 AromaticContact ND1-CE2 3.73Å; H509-Y547 AromaticContact ND1-CZ 3.73Å; H509-Y547 PolarHBondContact ND1-OH 3.34Å
510V92.4Very high88.5Confident0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-74.1-39.4-179.3174.90000112.5A506 A508 F512 A513 N514 F528 V551 C554 L555A506-V510 WeakPolarHBondContact O-CB 3.44Å; A506-V510 WeakPolarHBondContact O-CG2 3.19Å; A506-V510 PolarHBondContact O-N 3.45Å; A506-V510 VanDerWaalsContact O-N 3.09Å; A508-V510 VanDerWaalsContact C-N 3.29Å; A508-V510 PolarHBondContact O-N 3.35Å; V510-F512 VanDerWaalsContact C-N 3.35Å; V510-A513 PolarHBondContact O-N 3.33Å; V510-N514 WeakPolarHBondContact O-CB 3.28Å; V510-N514 PolarHBondContact O-N 3.18Å; V510-N514 PolarHBondContact O-ND2 2.76Å; V510-F528 HydrophobicContact CG2-CE1 4.38Å; V510-F528 HydrophobicContact CG2-CZ 3.9Å; V510-V551 HydrophobicContact CG2-CB 4.35Å; V510-V551 HydrophobicContact CG2-CG2 3.85Å; V510-C554 HydrophobicContact CG1-CB 3.72Å; V510-C554 WeakPolarHBondContact CG1-O 3.46Å; V510-L555 HydrophobicContact CG1-CB 3.87Å; V510-L555 HydrophobicContact CG1-CD1 4.08Å
511M89.3Confident89.3Confident51 Ų5145 Ų4525%0.25124%0.244SC..Hα-helixtrans-65.1-40.6174.5-70.1-62.594.800111.5F502 R507 A508 N514 E515 C554F502-M511 HydrophobicContact CE1-CB 4.07Å; F502-M511 HydrophobicContact CE1-CG 4.24Å; R507-M511 HydrophobicContact CG-CG 4.39Å; R507-M511 VanDerWaalsContact CZ-SD 3.59Å; R507-M511 PolarHBondContact NH2-SD 3.19Å; R507-M511 VanDerWaalsContact NH2-SD 3.42Å; R507-M511 WeakPolarHBondContact O-CB 3.49Å; R507-M511 WeakPolarHBondContact O-CG 3.25Å; R507-M511 PolarHBondContact O-N 3.02Å; A508-M511 PolarHBondContact O-N 3.41Å; M511-N514 WeakPolarHBondContact CE-ND2 3.07Å; M511-N514 PolarHBondContact O-N 3.42Å; M511-E515 WeakPolarHBondContact O-CB 3.37Å; M511-E515 PolarHBondContact O-N 3.03Å; M511-C554 HydrophobicContact CE-CB 4.11Å
512F89.6Confident90.2Very high49 Ų4942.4 Ų42.422%0.21523%0.23CC..Hα-helixtrans-62.9-45.6174.6-173.1-95.8000112.2V465 L468 L485 F487 A508 V510 N514 E515 I516V465-F512 HydrophobicContact CG2-CD2 4.1Å; V465-F512 HydrophobicContact CG2-CE2 3.93Å; L468-F512 HydrophobicContact CB-CZ 4.38Å; L468-F512 HydrophobicContact CD2-CE1 3.41Å; L468-F512 VanDerWaalsContact CD2-CE1 3.41Å; L468-F512 HydrophobicContact CD2-CZ 3.35Å; L468-F512 HydrophobicContact CG-CZ 4.48Å; L485-F512 HydrophobicContact CD1-CD1 4.23Å; L485-F512 HydrophobicContact CD1-CE1 4.4Å; F487-F512 HydrophobicContact CZ-CD1 4.07Å; A508-F512 WeakPolarHBondContact O-CB 3.47Å; A508-F512 PolarHBondContact O-N 3.42Å; V510-F512 VanDerWaalsContact C-N 3.35Å; F512-N514 PolarHBondContact O-N 3.15Å; F512-E515 PolarHBondContact O-N 3.09Å; F512-I516 HydrophobicContact CD1-CG1 4.42Å; F512-I516 HydrophobicContact CE1-CG1 4.29Å; F512-I516 WeakPolarHBondContact O-CG1 3.34Å; F512-I516 PolarHBondContact O-N 2.92Å
513A92.2Very high90.7Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-62.1-42.1176.500000112.4L485 H509 V510 Y517 F528 L555L485-A513 HydrophobicContact CD1-CB 4.1Å; H509-A513 WeakPolarHBondContact O-CB 3.43Å; H509-A513 PolarHBondContact O-N 3.08Å; V510-A513 PolarHBondContact O-N 3.33Å; A513-Y517 VanDerWaalsContact O-CB 3.28Å; A513-Y517 WeakPolarHBondContact O-CB 3.25Å; A513-Y517 PolarHBondContact O-N 3.05Å; A513-F528 HydrophobicContact CB-CD2 3.6Å; A513-F528 HydrophobicContact CB-CE2 3.83Å; A513-L555 HydrophobicContact CB-CD1 4.18Å
514N93.5Very high90.9Very high20 Ų2042.1 Ų42.111%0.10723%0.232CC..Hα-helixtrans-61.6-42172.8-71.7-17.7000112.2V510 M511 F512 Y517 N518 C554 T556V510-N514 WeakPolarHBondContact O-CB 3.28Å; V510-N514 PolarHBondContact O-N 3.18Å; V510-N514 PolarHBondContact O-ND2 2.76Å; M511-N514 WeakPolarHBondContact CE-ND2 3.07Å; M511-N514 PolarHBondContact O-N 3.42Å; F512-N514 PolarHBondContact O-N 3.15Å; N514-Y517 PolarHBondContact O-N 2.93Å; N514-N518 WeakPolarHBondContact O-CB 3.28Å; N514-N518 PolarHBondContact O-N 2.97Å; N514-N518 PolarHBondContact O-ND2 3.39Å; N514-C554 PolarHBondContact ND2-O 3.06Å; N514-T556 WeakPolarHBondContact OD1-CB 3.35Å; N514-T556 PolarHBondContact OD1-N 2.73Å; N514-T556 PolarHBondContact OD1-OG1 2.78Å
515E90.3Very high91.2Very high83 Ų8344.3 Ų44.339%0.38824%0.244SC..Hα-helixtrans-64.4-44.4-179.8-173.6171.3-176.600111.7K469 M511 F512 N518 H519K469-E515 VanDerWaalsContact CE-OE1 3.29Å; K469-E515 WeakPolarHBondContact CE-OE1 3.48Å; K469-E515 IonicContact NZ-OE1 3.76Å; K469-E515 PolarHBondContact NZ-OE1 3.33Å; M511-E515 WeakPolarHBondContact O-CB 3.37Å; M511-E515 PolarHBondContact O-N 3.03Å; F512-E515 PolarHBondContact O-N 3.09Å; E515-N518 PolarHBondContact O-N 3.44Å; E515-H519 VanDerWaalsContact O-CB 3.25Å; E515-H519 WeakPolarHBondContact O-CB 3.44Å; E515-H519 PolarHBondContact O-N 2.96Å
516I90.7Very high91.5Very high2 Ų243.5 Ų43.51%0.0124%0.239CC..Hα-helixtrans-66.9-39.8176.2-61.4-62.9000111.6L468 K469 V472 L485 F512 H519 L520 F526L468-I516 HydrophobicContact CB-CD1 4.42Å; L468-I516 HydrophobicContact CD2-CD1 3.97Å; L468-I516 HydrophobicContact CD2-CG1 4.09Å; L468-I516 HydrophobicContact CG-CD1 4.16Å; K469-I516 HydrophobicContact CG-CD1 3.94Å; V472-I516 HydrophobicContact CG1-CG2 4.44Å; V472-I516 HydrophobicContact CG2-CG2 4.23Å; L485-I516 HydrophobicContact CD1-CB 4.15Å; L485-I516 HydrophobicContact CD1-CG1 4.3Å; L485-I516 HydrophobicContact CD1-CG2 4.34Å; F512-I516 HydrophobicContact CD1-CG1 4.42Å; F512-I516 HydrophobicContact CE1-CG1 4.29Å; F512-I516 WeakPolarHBondContact O-CG1 3.34Å; F512-I516 PolarHBondContact O-N 2.92Å; I516-H519 PolarHBondContact O-N 3.33Å; I516-L520 HydrophobicContact CG2-CD1 4.12Å; I516-L520 WeakPolarHBondContact O-CB 3.27Å; I516-L520 PolarHBondContact O-N 2.71Å; I516-F526 HydrophobicContact CB-CZ 4.38Å; I516-F526 HydrophobicContact CG2-CE2 4.05Å; I516-F526 HydrophobicContact CG2-CZ 4Å
517Y93.5Very high91.8Very high19 Ų1944.3 Ų44.38%0.07524%0.242CC..Hα-helixtrans-60.8-45.9175.6179-108.6000112.5A513 N514 L520 C522 P523 F526 T556 I559A513-Y517 VanDerWaalsContact O-CB 3.28Å; A513-Y517 WeakPolarHBondContact O-CB 3.25Å; A513-Y517 PolarHBondContact O-N 3.05Å; N514-Y517 PolarHBondContact O-N 2.93Å; Y517-L520 PolarHBondContact O-N 3.38Å; Y517-C522 HydrophobicContact CD1-CB 4.37Å; Y517-C522 HydrophobicContact CE1-CB 3.66Å; Y517-C522 VanDerWaalsContact CE1-SG 3.59Å; Y517-C522 HydrophobicContact CE2-CB 4.35Å; Y517-C522 WeakPolarHBondContact O-CA 3.12Å; Y517-C522 PolarHBondContact O-N 3.42Å; Y517-P523 HydrophobicContact CD2-CG 4.32Å; Y517-P523 HydrophobicContact CE2-CG 4.33Å; Y517-P523 WeakPolarHBondContact CE2-O 3.38Å; Y517-F526 HydrophobicContact CD2-CB 3.44Å; Y517-F526 VanDerWaalsContact CD2-CB 3.44Å; Y517-F526 HydrophobicContact CD2-CD1 4.14Å; Y517-F526 AromaticContact CD2-CD2 3.88Å; Y517-F526 HydrophobicContact CD2-CD2 3.88Å; Y517-F526 AromaticContact CD2-CG 3.56Å; Y517-F526 HydrophobicContact CD2-CG 3.56Å; Y517-F526 HydrophobicContact CE2-CB 3.67Å; Y517-F526 HydrophobicContact CE2-CG 4.3Å; Y517-F526 HydrophobicContact CG-CG 4.44Å; Y517-T556 HydrophobicContact CD1-CG2 3.89Å; Y517-T556 HydrophobicContact CE1-CG2 3.67Å; Y517-I559 HydrophobicContact CD1-CD1 4.16Å; Y517-I559 HydrophobicContact CD1-CG1 4.08Å; Y517-I559 HydrophobicContact CD2-CD1 4.3Å; Y517-I559 HydrophobicContact CD2-CG1 3.76Å; Y517-I559 HydrophobicContact CE1-CG1 4.37Å; Y517-I559 HydrophobicContact CE2-CG1 4.06Å; Y517-I559 HydrophobicContact CG-CD1 3.84Å; Y517-I559 HydrophobicContact CG-CG1 3.76Å
518N92Very high92.1Very high93 Ų9339.9 Ų39.950%0.49723%0.226SC..Hα-helixtrans-69.7-38.2177-76.3-81000111.9N514 E515 L520 G521N514-N518 WeakPolarHBondContact O-CB 3.28Å; N514-N518 PolarHBondContact O-N 2.97Å; N514-N518 PolarHBondContact O-ND2 3.39Å; E515-N518 PolarHBondContact O-N 3.44Å; N518-L520 VanDerWaalsContact C-N 3.29Å; N518-L520 PolarHBondContact O-N 3.43Å; N518-G521 PolarHBondContact O-N 3.38Å
519H90.1Very high92.5Very high74 Ų7439.4 Ų39.434%0.34322%0.222SC..Hα-helixtrans-60.6-37.8174.9179.692.4000112.1K469 D473 E515 I516 G521K469-H519 HydrophobicContact CG-CB 4.48Å; D473-H519 IonicContact OD1-CD2 2.69Å; D473-H519 IonicContact OD1-CE1 3.54Å; D473-H519 IonicContact OD1-NE2 2.74Å; D473-H519 PolarHBondContact OD1-NE2 3.41Å; D473-H519 IonicContact OD2-CE1 3.65Å; D473-H519 IonicContact OD2-NE2 2.86Å; D473-H519 PolarHBondContact OD2-NE2 2.87Å; E515-H519 VanDerWaalsContact O-CB 3.25Å; E515-H519 WeakPolarHBondContact O-CB 3.44Å; E515-H519 PolarHBondContact O-N 2.96Å; I516-H519 PolarHBondContact O-N 3.33Å; H519-G521 PolarHBondContact O-N 2.9Å
520L90.6Very high92.6Very high17 Ų1738.4 Ų38.49%0.08922%0.217CC..THydrogen-bonded Turntrans-71.3-3.7173.4-85.3164.4000114.9V472 L476 F483 I516 Y517 N518 P523 F526V472-L520 HydrophobicContact CG1-CD1 3.63Å; V472-L520 HydrophobicContact CG1-CD2 3.44Å; V472-L520 VanDerWaalsContact CG1-CD2 3.44Å; V472-L520 HydrophobicContact CG1-CG 3.45Å; V472-L520 VanDerWaalsContact CG1-CG 3.45Å; L476-L520 HydrophobicContact CB-CD2 4.41Å; L476-L520 HydrophobicContact CD1-CD2 3.95Å; L476-L520 HydrophobicContact CD2-CD2 4.26Å; L476-L520 HydrophobicContact CG-CD2 4.44Å; F483-L520 HydrophobicContact CB-CD1 4.14Å; F483-L520 HydrophobicContact CD1-CD1 4.02Å; F483-L520 HydrophobicContact CD2-CD1 3.63Å; F483-L520 HydrophobicContact CD2-CD2 4.04Å; F483-L520 HydrophobicContact CD2-CG 4.47Å; F483-L520 HydrophobicContact CE1-CD1 4.34Å; F483-L520 HydrophobicContact CE1-CD2 4.19Å; F483-L520 HydrophobicContact CE2-CD1 3.99Å; F483-L520 HydrophobicContact CE2-CD2 3.5Å; F483-L520 VanDerWaalsContact CE2-CD2 3.5Å; F483-L520 HydrophobicContact CE2-CG 4.39Å; F483-L520 HydrophobicContact CG-CD1 3.66Å; F483-L520 HydrophobicContact CZ-CD1 4.33Å; F483-L520 HydrophobicContact CZ-CD2 3.59Å; I516-L520 HydrophobicContact CG2-CD1 4.12Å; I516-L520 WeakPolarHBondContact O-CB 3.27Å; I516-L520 PolarHBondContact O-N 2.71Å; Y517-L520 PolarHBondContact O-N 3.38Å; N518-L520 VanDerWaalsContact C-N 3.29Å; N518-L520 PolarHBondContact O-N 3.43Å; L520-P523 HydrophobicContact CB-CG 4.04Å; L520-P523 HydrophobicContact CD1-CG 4.38Å; L520-F526 HydrophobicContact CD1-CD2 4.08Å; L520-F526 HydrophobicContact CD1-CE2 3.7Å
521G91.9Very high92.5Very high61 Ų6139.4 Ų39.463%0.62922%0.223SC*.THydrogen-bonded Turntrans7728.9-176.700000114.1N518 H519N518-G521 PolarHBondContact O-N 3.38Å; H519-G521 PolarHBondContact O-N 2.9Å
522C92.7Very high92.6Very high55 Ų5537.3 Ų37.337%0.37221%0.214SC..  trans58.862.5177.4-56.40000114.1Y517Y517-C522 HydrophobicContact CD1-CB 4.37Å; Y517-C522 HydrophobicContact CE1-CB 3.66Å; Y517-C522 VanDerWaalsContact CE1-SG 3.59Å; Y517-C522 HydrophobicContact CE2-CB 4.35Å; Y517-C522 WeakPolarHBondContact O-CA 3.12Å; Y517-C522 PolarHBondContact O-N 3.42Å
523P91.9Very high92.8Very high20 Ų2035.5 Ų35.513%0.1321%0.206CC..  trans-64150.5-177.127.3-35.6000113Y517 L520 V525 F526Y517-P523 HydrophobicContact CD2-CG 4.32Å; Y517-P523 HydrophobicContact CE2-CG 4.33Å; Y517-P523 WeakPolarHBondContact CE2-O 3.38Å; L520-P523 HydrophobicContact CB-CG 4.04Å; L520-P523 HydrophobicContact CD1-CG 4.38Å; P523-V525 PolarHBondContact O-N 3.49Å; P523-V525 VanDerWaalsContact O-N 3.11Å; P523-F526 HydrophobicContact CG-CB 4.41Å; P523-F526 HydrophobicContact CG-CD2 4.14Å
524D90.2Very high92.9Very high170 Ų17035.5 Ų35.591%0.90921%0.206SC*.SBendtrans-60.2-23.3-177.3-56.1-58.8000114
525V92.9Very high92.9Very high70 Ų7038.7 Ų38.742%0.42422%0.22SC..EExtended strand (participates in β ladder)trans-128.4100.9176.8-176.60000109.6A482 F483 P523 L527A482-V525 WeakPolarHBondContact CA-O 3.28Å; A482-V525 HydrophobicContact CB-CB 3.77Å; A482-V525 HydrophobicContact CB-CG1 3.79Å; F483-V525 PolarHBondContact N-O 2.97Å; P523-V525 PolarHBondContact O-N 3.49Å; P523-V525 VanDerWaalsContact O-N 3.11Å; V525-L527 HydrophobicContact CG1-CD2 4.23Å; V525-L527 HydrophobicContact CG1-CG 4.45Å
526F95.4Very high93Very high2 Ų238 Ų381%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-128.7126.3167.5-160.1-85.7000109.9F483 L485 I516 Y517 L520 P523 I559 A560F483-F526 HydrophobicContact CB-CD2 3.7Å; F483-F526 HydrophobicContact CB-CE2 3.73Å; F483-F526 CarbonylContact O-C 3.55Å; F483-F526 WeakPolarHBondContact O-CA 3.48Å; L485-F526 HydrophobicContact CD1-CE1 4.08Å; L485-F526 HydrophobicContact CD1-CZ 3.69Å; L485-F526 HydrophobicContact CG-CE1 4.21Å; L485-F526 HydrophobicContact CG-CZ 3.81Å; I516-F526 HydrophobicContact CB-CZ 4.38Å; I516-F526 HydrophobicContact CG2-CE2 4.05Å; I516-F526 HydrophobicContact CG2-CZ 4Å; Y517-F526 HydrophobicContact CD2-CB 3.44Å; Y517-F526 VanDerWaalsContact CD2-CB 3.44Å; Y517-F526 HydrophobicContact CD2-CD1 4.14Å; Y517-F526 AromaticContact CD2-CD2 3.88Å; Y517-F526 HydrophobicContact CD2-CD2 3.88Å; Y517-F526 AromaticContact CD2-CG 3.56Å; Y517-F526 HydrophobicContact CD2-CG 3.56Å; Y517-F526 HydrophobicContact CE2-CB 3.67Å; Y517-F526 HydrophobicContact CE2-CG 4.3Å; Y517-F526 HydrophobicContact CG-CG 4.44Å; L520-F526 HydrophobicContact CD1-CD2 4.08Å; L520-F526 HydrophobicContact CD1-CE2 3.7Å; P523-F526 HydrophobicContact CG-CB 4.41Å; P523-F526 HydrophobicContact CG-CD2 4.14Å; F526-I559 HydrophobicContact CB-CG1 4.36Å; F526-I559 HydrophobicContact CD1-CB 4.48Å; F526-I559 HydrophobicContact CD1-CD1 4.16Å; F526-I559 HydrophobicContact CD1-CG1 3.92Å; F526-I559 HydrophobicContact CD1-CG2 3.9Å; F526-I559 HydrophobicContact CE1-CD1 4.5Å; F526-I559 HydrophobicContact CG-CG1 4.45Å; F526-A560 PolarHBondContact O-N 3.42Å
527L97Very high93.1Very high20 Ų2041.1 Ų41.111%0.10524%0.241CC..EExtended strand (participates in β ladder)trans-112143-176.4-48.9-174.9000111.5F483 A484 L485 V525 A560 I562 V590 L627F483-L527 PolarHBondContact O-N 2.95Å; A484-L527 CarbonylContact C-O 3.33Å; A484-L527 WeakPolarHBondContact CA-O 3.2Å; A484-L527 HydrophobicContact CB-CB 3.91Å; A484-L527 HydrophobicContact CB-CD1 4.5Å; L485-L527 PolarHBondContact N-O 3.39Å; V525-L527 HydrophobicContact CG1-CD2 4.23Å; V525-L527 HydrophobicContact CG1-CG 4.45Å; L527-A560 CarbonylContact C-O 3.55Å; L527-A560 WeakPolarHBondContact CA-O 3.43Å; L527-A560 HydrophobicContact CD2-CB 3.87Å; L527-I562 HydrophobicContact CB-CD1 3.73Å; L527-I562 HydrophobicContact CB-CG1 4.01Å; L527-I562 HydrophobicContact CD1-CD1 4.11Å; L527-I562 HydrophobicContact CD1-CG1 4.33Å; L527-V590 HydrophobicContact CD2-CG2 3.85Å; L527-L627 HydrophobicContact CD1-CD1 3.96Å
528F97Very high93Very high0 Ų040.4 Ų40.40%024%0.239CC..EExtended strand (participates in β ladder)trans-127.9117.1175.6177.5-97.6000110.2L485 F487 H509 V510 A513 P530 V551 L555 I559 A560 V561 I562L485-F528 WeakPolarHBondContact O-CA 3.13Å; F487-F528 HydrophobicContact CD2-CD2 4.02Å; F487-F528 AromaticContact CD2-CE2 3.5Å; F487-F528 HydrophobicContact CD2-CE2 3.5Å; F487-F528 HydrophobicContact CD2-CZ 4.16Å; F487-F528 AromaticContact CE2-CD2 3.96Å; F487-F528 HydrophobicContact CE2-CD2 3.96Å; F487-F528 AromaticContact CE2-CE2 3.49Å; F487-F528 HydrophobicContact CE2-CE2 3.49Å; F487-F528 VanDerWaalsContact CE2-CE2 3.49Å; F487-F528 HydrophobicContact CE2-CZ 4.47Å; H509-F528 HydrophobicContact CB-CE2 4.32Å; H509-F528 HydrophobicContact CB-CZ 4.25Å; V510-F528 HydrophobicContact CG2-CE1 4.38Å; V510-F528 HydrophobicContact CG2-CZ 3.9Å; A513-F528 HydrophobicContact CB-CD2 3.6Å; A513-F528 HydrophobicContact CB-CE2 3.83Å; F528-P530 HydrophobicContact CD1-CB 4.43Å; F528-P530 HydrophobicContact CE1-CB 3.92Å; F528-P530 WeakPolarHBondContact O-CD 3.33Å; F528-V551 HydrophobicContact CD1-CG1 4.19Å; F528-V551 HydrophobicContact CE1-CG1 3.92Å; F528-V551 HydrophobicContact CE1-CG2 3.77Å; F528-V551 HydrophobicContact CZ-CG2 4.37Å; F528-L555 HydrophobicContact CB-CD2 4.23Å; F528-L555 HydrophobicContact CD1-CD2 4.09Å; F528-L555 HydrophobicContact CD2-CD1 4.37Å; F528-L555 HydrophobicContact CG-CD1 4.27Å; F528-L555 HydrophobicContact CG-CD2 4.27Å; F528-I559 HydrophobicContact CB-CG2 3.78Å; F528-A560 PolarHBondContact N-O 3.02Å; F528-V561 WeakPolarHBondContact O-CA 3.48Å; F528-I562 PolarHBondContact O-N 3.18Å
529C96.5Very high92.8Very high0 Ų041.5 Ų41.50%025%0.249CC..EExtended strand (participates in β ladder)trans-91.7114.1170.5-157.20000109.3L485 L486 F487 Y533 I562L485-C529 PolarHBondContact O-N 2.77Å; L486-C529 HydrophobicContact CB-CB 4.09Å; L486-C529 HydrophobicContact CD2-CB 3.7Å; F487-C529 WeakPolarHBondContact CB-O 3.48Å; F487-C529 PolarHBondContact N-O 3.46Å; C529-Y533 VanDerWaalsContact SG-CB 3.55Å; C529-I562 HydrophobicContact CB-CB 4.04Å; C529-I562 HydrophobicContact CB-CD1 4.09Å; C529-I562 HydrophobicContact CB-CG2 4.4Å
530P94.8Very high92.8Very high0 Ų042.7 Ų42.70%026%0.263CS..  trans-77.9152.5177.732.1-32.4000110.5F528 G532 Y533 Y547 L548 V551 V561 I562F528-P530 HydrophobicContact CD1-CB 4.43Å; F528-P530 HydrophobicContact CE1-CB 3.92Å; F528-P530 WeakPolarHBondContact O-CD 3.33Å; P530-G532 CarbonylContact O-C 3.5Å; P530-G532 PolarHBondContact O-N 3.02Å; P530-Y533 VanDerWaalsContact O-CB 3.32Å; P530-Y533 WeakPolarHBondContact O-CB 3.17Å; P530-Y533 WeakPolarHBondContact O-CD1 3.22Å; P530-Y533 PolarHBondContact O-N 2.97Å; P530-Y533 VanDerWaalsContact O-N 3.11Å; P530-Y547 HydrophobicContact CB-CD1 4.36Å; P530-Y547 HydrophobicContact CB-CE1 3.62Å; P530-L548 HydrophobicContact CB-CD2 3.84Å; P530-L548 HydrophobicContact CG-CD2 4Å; P530-V551 HydrophobicContact CB-CG2 4.44Å; P530-V561 HydrophobicContact CG-CG1 4.03Å; P530-I562 WeakPolarHBondContact CD-O 3.4Å
531T91.6Very high92.8Very high22 Ų2244.1 Ų44.114%0.13527%0.271CS..SBendtrans-59.9-22.3177.8-47.40000114.4F487 I490 P492 Y547F487-T531 WeakPolarHBondContact O-CA 3.48Å; F487-T531 VanDerWaalsContact O-CB 3.25Å; F487-T531 WeakPolarHBondContact O-CB 3.05Å; F487-T531 PolarHBondContact O-N 3.35Å; F487-T531 PolarHBondContact O-OG1 3.26Å; I490-T531 HydrophobicContact CG1-CG2 4.12Å; I490-T531 WeakPolarHBondContact O-CG2 3.31Å; P492-T531 HydrophobicContact CB-CG2 4.41Å; P492-T531 HydrophobicContact CG-CG2 4.25Å; T531-Y547 PolarHBondContact N-OH 3.46Å; T531-Y547 PolarHBondContact OG1-OH 2.96Å
532G89.9Confident92.7Very high6 Ų642 Ų426%0.06225%0.245CC..SBendtrans-103.272.4163.900000111.2P530 S534 W563P530-G532 CarbonylContact O-C 3.5Å; P530-G532 PolarHBondContact O-N 3.02Å; G532-S534 VanDerWaalsContact C-N 3.3Å; G532-W563 WeakPolarHBondContact O-CZ3 3.39Å
533Y93.8Very high92.5Very high12 Ų1244 Ų445%0.04725%0.253CS..  trans-84.32.4-176.352.8-85000114.7D488 D489 C529 P530 L537 W563 T564 V568D488-Y533 HydrophobicContact CB-CD1 3.7Å; D488-Y533 HydrophobicContact CB-CE1 3.47Å; D488-Y533 VanDerWaalsContact CB-CE1 3.47Å; D488-Y533 HydrophobicContact CB-CG 4.46Å; D489-Y533 PolarHBondContact OD1-OH 3.45Å; C529-Y533 VanDerWaalsContact SG-CB 3.55Å; P530-Y533 VanDerWaalsContact O-CB 3.32Å; P530-Y533 WeakPolarHBondContact O-CB 3.17Å; P530-Y533 WeakPolarHBondContact O-CD1 3.22Å; P530-Y533 PolarHBondContact O-N 2.97Å; P530-Y533 VanDerWaalsContact O-N 3.11Å; Y533-L537 HydrophobicContact CD1-CD1 3.96Å; Y533-L537 HydrophobicContact CD2-CD1 4.22Å; Y533-L537 HydrophobicContact CE1-CD1 3.42Å; Y533-L537 VanDerWaalsContact CE1-CD1 3.42Å; Y533-L537 HydrophobicContact CE2-CD1 3.79Å; Y533-L537 HydrophobicContact CG-CD1 4.32Å; Y533-W563 CarbonylContact O-C 3.26Å; Y533-W563 WeakPolarHBondContact O-CA 3.46Å; Y533-T564 HydrophobicContact CD2-CG2 3.76Å; Y533-T564 HydrophobicContact CE2-CG2 4.27Å; Y533-T564 PolarHBondContact O-N 3.42Å; Y533-V568 HydrophobicContact CE2-CG1 4.32Å; Y533-V568 HydrophobicContact CE2-CG2 4.12Å
534S94.2Very high92.6Very high0 Ų050.1 Ų50.10%028%0.277CS..SBendtrans-136.6161.5169.776.20000109.8G532 S536 L537 A538 T564 G565G532-S534 VanDerWaalsContact C-N 3.3Å; S534-S536 VanDerWaalsContact C-N 3.26Å; S534-S536 PolarHBondContact O-N 2.98Å; S534-S536 PolarHBondContact OG-N 2.91Å; S534-S536 PolarHBondContact OG-OG 3.29Å; S534-L537 PolarHBondContact O-N 3.17Å; S534-L537 WeakPolarHBondContact OG-CG 3.41Å; S534-L537 PolarHBondContact OG-N 3.19Å; S534-A538 PolarHBondContact O-N 3.24Å; S534-T564 VanDerWaalsContact CB-OG1 3.3Å; S534-T564 WeakPolarHBondContact CB-OG1 3.3Å; S534-G565 WeakPolarHBondContact CA-O 3.41Å
535E93.5Very high92.8Very high86 Ų8642.4 Ų42.440%0.40224%0.237SC..G310 helixtrans-62-36.5175179.2161.5-150.500111.6L537 A538 T542 W563 G565E535-L537 PolarHBondContact O-N 2.93Å; E535-A538 PolarHBondContact O-N 2.79Å; E535-T542 WeakPolarHBondContact CG-OG1 3.38Å; E535-W563 HydrophobicContact CB-CZ2 4.28Å; E535-W563 VanDerWaalsContact N-CZ2 3.28Å; E535-G565 PolarHBondContact N-O 2.97Å; E535-G565 VanDerWaalsContact N-O 3.16Å
536S92.9Very high92.8Very high69 Ų6946 Ų4648%0.48325%0.249SC..G310 helixtrans-63.8-18.3174.268.30000115S534 P566S534-S536 VanDerWaalsContact C-N 3.26Å; S534-S536 PolarHBondContact O-N 2.98Å; S534-S536 PolarHBondContact OG-N 2.91Å; S534-S536 PolarHBondContact OG-OG 3.29Å; S536-P566 PolarHBondContact N-O 3.5Å
537L92.3Very high92.7Very high68 Ų6847.2 Ų47.236%0.35625%0.254SS..G310 helixtrans-104.5-12176.8-65.4175.2000112.8Y533 S534 E535 V539 V568Y533-L537 HydrophobicContact CD1-CD1 3.96Å; Y533-L537 HydrophobicContact CD2-CD1 4.22Å; Y533-L537 HydrophobicContact CE1-CD1 3.42Å; Y533-L537 VanDerWaalsContact CE1-CD1 3.42Å; Y533-L537 HydrophobicContact CE2-CD1 3.79Å; Y533-L537 HydrophobicContact CG-CD1 4.32Å; S534-L537 PolarHBondContact O-N 3.17Å; S534-L537 WeakPolarHBondContact OG-CG 3.41Å; S534-L537 PolarHBondContact OG-N 3.19Å; E535-L537 PolarHBondContact O-N 2.93Å; L537-V539 PolarHBondContact O-N 2.79Å; L537-V539 VanDerWaalsContact O-N 3.11Å; L537-V568 HydrophobicContact CD1-CG2 3.79Å; L537-V568 HydrophobicContact CG-CG2 4.3Å
538A91Very high92.6Very high4 Ų446.3 Ų46.33%0.03325%0.249CC..SBendtrans-75.396.6176.700000110.8S534 E535 P540 N541 L548 W563S534-A538 PolarHBondContact O-N 3.24Å; E535-A538 PolarHBondContact O-N 2.79Å; A538-P540 CarbonylContact O-C 3.52Å; A538-N541 CarbonylContact O-C 3.59Å; A538-N541 WeakPolarHBondContact O-CA 3.41Å; A538-N541 PolarHBondContact O-N 3.45Å; A538-L548 HydrophobicContact CB-CD1 3.64Å; A538-W563 HydrophobicContact CB-CH2 4.49Å
539V88.4Confident92.5Very high116 Ų11648.3 Ų48.370%0.70327%0.265SS*.SBendtrans-82.1130.8180-177.70000111L537 S545L537-V539 PolarHBondContact O-N 2.79Å; L537-V539 VanDerWaalsContact O-N 3.11Å; V539-S545 WeakPolarHBondContact O-CA 3.46Å; V539-S545 WeakPolarHBondContact O-CB 3.48Å; V539-S545 PolarHBondContact O-OG 2.88Å
540P89.9Confident92.5Very high98 Ų9849.3 Ų49.364%0.63627%0.271SS*.SBendcis-84.2-17.7-5.935.6-35.5000113.7A538 K544A538-P540 CarbonylContact O-C 3.52Å; P540-K544 HydrophobicContact CG-CB 3.93Å
541N90.8Very high92.5Very high48 Ų4849.3 Ų49.326%0.25727%0.271SS..  trans-161.1169.6163.766.7-17.1000108.2A538 N543 K544 S545A538-N541 CarbonylContact O-C 3.59Å; A538-N541 WeakPolarHBondContact O-CA 3.41Å; A538-N541 PolarHBondContact O-N 3.45Å; N541-N543 PolarHBondContact ND2-OD1 2.92Å; N541-N543 PolarHBondContact O-N 2.75Å; N541-N543 PolarHBondContact OD1-OD1 3.47Å; N541-K544 PolarHBondContact O-N 3.25Å; N541-K544 VanDerWaalsContact OD1-CB 3.24Å; N541-K544 WeakPolarHBondContact OD1-CB 3.33Å; N541-K544 WeakPolarHBondContact OD1-CD 3.48Å; N541-K544 VanDerWaalsContact OD1-CG 3.32Å; N541-K544 WeakPolarHBondContact OD1-CG 3.32Å; N541-K544 PolarHBondContact OD1-N 2.8Å; N541-S545 WeakPolarHBondContact O-CB 3.34Å; N541-S545 PolarHBondContact O-N 2.77Å
542T90Very high92.7Very high15 Ų1549.5 Ų49.59%0.09228%0.275CS..G310 helixtrans-46.2-54.1-176.7-52.10000113.6E535 K544 L548 W563 L581 F584E535-T542 WeakPolarHBondContact CG-OG1 3.38Å; T542-K544 VanDerWaalsContact C-N 3.33Å; T542-K544 PolarHBondContact O-N 2.73Å; T542-L548 HydrophobicContact CG2-CD1 4.26Å; T542-W563 HydrophobicContact CG2-CH2 4.2Å; T542-W563 HydrophobicContact CG2-CZ2 4.42Å; T542-L581 HydrophobicContact CG2-CD1 3.55Å; T542-F584 WeakPolarHBondContact O-CE1 3.36Å
543N89.5Confident93Very high98 Ų9853.6 Ų53.652%0.52430%0.303SS..G310 helixtrans-82.71.4-172.366.511.7000115.8N541 F584N541-N543 PolarHBondContact ND2-OD1 2.92Å; N541-N543 PolarHBondContact O-N 2.75Å; N541-N543 PolarHBondContact OD1-OD1 3.47Å; N543-F584 HydrophobicContact CB-CD2 4.38Å; N543-F584 HydrophobicContact CB-CE2 4.49Å
544K92.7Very high93.1Very high149 Ų14954.3 Ų54.365%0.64831%0.31SS*.G310 helixtrans-124.44.3172.3-58.3172.3-173.6169.10113.1P540 N541 T542 E546P540-K544 HydrophobicContact CG-CB 3.93Å; N541-K544 PolarHBondContact O-N 3.25Å; N541-K544 VanDerWaalsContact OD1-CB 3.24Å; N541-K544 WeakPolarHBondContact OD1-CB 3.33Å; N541-K544 WeakPolarHBondContact OD1-CD 3.48Å; N541-K544 VanDerWaalsContact OD1-CG 3.32Å; N541-K544 WeakPolarHBondContact OD1-CG 3.32Å; N541-K544 PolarHBondContact OD1-N 2.8Å; T542-K544 VanDerWaalsContact C-N 3.33Å; T542-K544 PolarHBondContact O-N 2.73Å; K544-E546 PolarHBondContact O-N 2.83Å
545S93.8Very high93.2Very high8 Ų854.8 Ų54.86%0.05631%0.312CS..  trans-73.8115.9-178.6-169.30000110.9V539 N541 Y547 L548 A549V539-S545 WeakPolarHBondContact O-CA 3.46Å; V539-S545 WeakPolarHBondContact O-CB 3.48Å; V539-S545 PolarHBondContact O-OG 2.88Å; N541-S545 WeakPolarHBondContact O-CB 3.34Å; N541-S545 PolarHBondContact O-N 2.77Å; S545-Y547 PolarHBondContact O-N 3.2Å; S545-L548 PolarHBondContact O-N 2.96Å; S545-A549 WeakPolarHBondContact O-CB 3.37Å; S545-A549 PolarHBondContact O-N 2.75Å
546E93.1Very high93.4Very high144 Ų14452.4 Ų52.467%0.67330%0.303SS*.Hα-helixtrans-58.3-33.7175.3-173.8-179.4176.800111.7K544 T550K544-E546 PolarHBondContact O-N 2.83Å; E546-T550 WeakPolarHBondContact O-CB 3.39Å; E546-T550 PolarHBondContact O-N 2.85Å; E546-T550 PolarHBondContact O-OG1 3.22Å
547Y93.8Very high93.3Very high29 Ų2954.1 Ų54.111%0.11431%0.313CS..Hα-helixtrans-61.7-56.3173.5-172.9-70.6000110.5A506 H509 P530 T531 S545 A549 T550 V551A506-Y547 HydrophobicContact CB-CD1 4.27Å; A506-Y547 HydrophobicContact CB-CD2 3.46Å; A506-Y547 VanDerWaalsContact CB-CD2 3.46Å; A506-Y547 HydrophobicContact CB-CE2 3.8Å; A506-Y547 HydrophobicContact CB-CG 3.7Å; H509-Y547 AromaticContact ND1-CE2 3.73Å; H509-Y547 AromaticContact ND1-CZ 3.73Å; H509-Y547 PolarHBondContact ND1-OH 3.34Å; P530-Y547 HydrophobicContact CB-CD1 4.36Å; P530-Y547 HydrophobicContact CB-CE1 3.62Å; T531-Y547 PolarHBondContact N-OH 3.46Å; T531-Y547 PolarHBondContact OG1-OH 2.96Å; S545-Y547 PolarHBondContact O-N 3.2Å; Y547-A549 VanDerWaalsContact C-N 3.35Å; Y547-A549 PolarHBondContact O-N 2.84Å; Y547-T550 WeakPolarHBondContact O-CA 3.42Å; Y547-T550 WeakPolarHBondContact O-CB 3.06Å; Y547-T550 PolarHBondContact O-N 3Å; Y547-T550 VanDerWaalsContact O-N 3.08Å; Y547-V551 HydrophobicContact CD1-CG2 3.9Å; Y547-V551 HydrophobicContact CE1-CG2 3.62Å; Y547-V551 WeakPolarHBondContact O-CG2 3.42Å; Y547-V551 PolarHBondContact O-N 2.99Å
548L95Very high93.3Very high0 Ų052.9 Ų52.90%032%0.316CS..Hα-helixtrans-70.1-30.7-176.7-62.2175.7000112.7P530 A538 T542 S545 T550 V551 A552 W563 F584 L585P530-L548 HydrophobicContact CB-CD2 3.84Å; P530-L548 HydrophobicContact CG-CD2 4Å; A538-L548 HydrophobicContact CB-CD1 3.64Å; T542-L548 HydrophobicContact CG2-CD1 4.26Å; S545-L548 PolarHBondContact O-N 2.96Å; L548-T550 VanDerWaalsContact C-N 3.3Å; L548-T550 PolarHBondContact O-N 3.28Å; L548-V551 WeakPolarHBondContact O-CB 3.36Å; L548-V551 PolarHBondContact O-N 3.12Å; L548-A552 WeakPolarHBondContact O-CB 3.19Å; L548-A552 PolarHBondContact O-N 3.43Å; L548-W563 HydrophobicContact CD1-CH2 3.86Å; L548-W563 HydrophobicContact CD1-CZ3 3.99Å; L548-W563 HydrophobicContact CD2-CZ3 4.28Å; L548-F584 HydrophobicContact CB-CE1 3.85Å; L548-L585 HydrophobicContact CB-CD2 4.31Å
549A95.6Very high93.6Very high42 Ų4252.7 Ų52.735%0.34732%0.315SS..Hα-helixtrans-64.2-34.6169.700000112S545 Y547 S553 F584S545-A549 WeakPolarHBondContact O-CB 3.37Å; S545-A549 PolarHBondContact O-N 2.75Å; Y547-A549 VanDerWaalsContact C-N 3.35Å; Y547-A549 PolarHBondContact O-N 2.84Å; A549-S553 WeakPolarHBondContact O-CB 3.3Å; A549-S553 PolarHBondContact O-N 3.48Å; A549-S553 VanDerWaalsContact O-N 3.17Å; A549-S553 PolarHBondContact O-OG 3.18Å; A549-F584 HydrophobicContact CB-CZ 4.2Å
550T95.3Very high94Very high21 Ų2147.8 Ų47.813%0.12929%0.286CS..Hα-helixtrans-68.4-39.9171.7-55.90000111.1A506 R507 E546 Y547 L548 S553 C554A506-T550 HydrophobicContact CB-CG2 3.88Å; R507-T550 HydrophobicContact CB-CG2 4.23Å; E546-T550 WeakPolarHBondContact O-CB 3.39Å; E546-T550 PolarHBondContact O-N 2.85Å; E546-T550 PolarHBondContact O-OG1 3.22Å; Y547-T550 WeakPolarHBondContact O-CA 3.42Å; Y547-T550 WeakPolarHBondContact O-CB 3.06Å; Y547-T550 PolarHBondContact O-N 3Å; Y547-T550 VanDerWaalsContact O-N 3.08Å; L548-T550 VanDerWaalsContact C-N 3.3Å; L548-T550 PolarHBondContact O-N 3.28Å; T550-S553 PolarHBondContact O-OG 3.09Å; T550-C554 WeakPolarHBondContact O-CB 3.5Å; T550-C554 PolarHBondContact O-N 3.39Å; T550-C554 VanDerWaalsContact O-N 3.12Å; T550-C554 PolarHBondContact O-SG 2.84Å; T550-C554 VanDerWaalsContact O-SG 3.39Å
551V95.7Very high94.3Very high0 Ų043.1 Ų43.10%026%0.256CS..Hα-helixtrans-59.5-57.1173.2-1800000110.5V510 F528 P530 Y547 L548 S553 C554 L555 V561V510-V551 HydrophobicContact CG2-CB 4.35Å; V510-V551 HydrophobicContact CG2-CG2 3.85Å; F528-V551 HydrophobicContact CD1-CG1 4.19Å; F528-V551 HydrophobicContact CE1-CG1 3.92Å; F528-V551 HydrophobicContact CE1-CG2 3.77Å; F528-V551 HydrophobicContact CZ-CG2 4.37Å; P530-V551 HydrophobicContact CB-CG2 4.44Å; Y547-V551 HydrophobicContact CD1-CG2 3.9Å; Y547-V551 HydrophobicContact CE1-CG2 3.62Å; Y547-V551 WeakPolarHBondContact O-CG2 3.42Å; Y547-V551 PolarHBondContact O-N 2.99Å; L548-V551 WeakPolarHBondContact O-CB 3.36Å; L548-V551 PolarHBondContact O-N 3.12Å; V551-S553 PolarHBondContact O-N 3.08Å; V551-S553 VanDerWaalsContact O-N 3.15Å; V551-C554 PolarHBondContact O-N 3.45Å; V551-L555 HydrophobicContact CG1-CB 4.26Å; V551-L555 HydrophobicContact CG1-CD2 3.87Å; V551-L555 WeakPolarHBondContact O-CB 3.3Å; V551-L555 PolarHBondContact O-N 3.11Å; V551-V561 HydrophobicContact CG1-CG2 4.31Å
552A95.8Very high94.6Very high27 Ų2741.1 Ų41.122%0.22325%0.245CC..Hα-helixtrans-56.5-31.1-177.900000114.9L548 F584 L585L548-A552 WeakPolarHBondContact O-CB 3.19Å; L548-A552 PolarHBondContact O-N 3.43Å; A552-F584 WeakPolarHBondContact CB-O 3.32Å; A552-L585 HydrophobicContact CB-CD2 4.09Å
553S95.5Very high94.9Very high91 Ų9140.8 Ų40.864%0.63624%0.243SC*.Hα-helixtrans-97.8-12.9-176.358.80000114.5A549 T550 V551A549-S553 WeakPolarHBondContact O-CB 3.3Å; A549-S553 PolarHBondContact O-N 3.48Å; A549-S553 VanDerWaalsContact O-N 3.17Å; A549-S553 PolarHBondContact O-OG 3.18Å; T550-S553 PolarHBondContact O-OG 3.09Å; V551-S553 PolarHBondContact O-N 3.08Å; V551-S553 VanDerWaalsContact O-N 3.15Å
554C96.1Very high95.2Very high28 Ų2836.1 Ų36.119%0.18922%0.218CC..Hα-helixtrans-130.2-14.9-169.2-56.20000115.1R507 V510 M511 N514 T550 V551R507-C554 PolarHBondContact NH1-SG 3.28Å; V510-C554 HydrophobicContact CG1-CB 3.72Å; V510-C554 WeakPolarHBondContact CG1-O 3.46Å; M511-C554 HydrophobicContact CE-CB 4.11Å; N514-C554 PolarHBondContact ND2-O 3.06Å; T550-C554 WeakPolarHBondContact O-CB 3.5Å; T550-C554 PolarHBondContact O-N 3.39Å; T550-C554 VanDerWaalsContact O-N 3.12Å; T550-C554 PolarHBondContact O-SG 2.84Å; T550-C554 VanDerWaalsContact O-SG 3.39Å; V551-C554 PolarHBondContact O-N 3.45Å
555L96.9Very high95.2Very high9 Ų929.1 Ų29.15%0.04719%0.188CC..SBendtrans-78.1146.3178.6-172.671.9000110.2V510 A513 F528 V551 I559 V561 H587V510-L555 HydrophobicContact CG1-CB 3.87Å; V510-L555 HydrophobicContact CG1-CD1 4.08Å; A513-L555 HydrophobicContact CB-CD1 4.18Å; F528-L555 HydrophobicContact CB-CD2 4.23Å; F528-L555 HydrophobicContact CD1-CD2 4.09Å; F528-L555 HydrophobicContact CD2-CD1 4.37Å; F528-L555 HydrophobicContact CG-CD1 4.27Å; F528-L555 HydrophobicContact CG-CD2 4.27Å; V551-L555 HydrophobicContact CG1-CB 4.26Å; V551-L555 HydrophobicContact CG1-CD2 3.87Å; V551-L555 WeakPolarHBondContact O-CB 3.3Å; V551-L555 PolarHBondContact O-N 3.11Å; L555-I559 HydrophobicContact CD1-CB 4.36Å; L555-I559 HydrophobicContact CD1-CD1 3.64Å; L555-I559 HydrophobicContact CD1-CG2 4.15Å; L555-I559 HydrophobicContact CD2-CB 4.14Å; L555-I559 HydrophobicContact CD2-CG2 3.82Å; L555-I559 HydrophobicContact CG-CB 4.07Å; L555-I559 HydrophobicContact CG-CD1 4.08Å; L555-I559 HydrophobicContact CG-CG2 4.13Å; L555-V561 HydrophobicContact CD2-CG2 3.82Å; L555-H587 PolarHBondContact O-CE1 2.94Å
556T96.4Very high95.2Very high36 Ų3630.2 Ų30.222%0.22120%0.195CC..  trans-71.2128.3-176.1-56.20000110.2N514 Y517 G558 I559 H587N514-T556 WeakPolarHBondContact OD1-CB 3.35Å; N514-T556 PolarHBondContact OD1-N 2.73Å; N514-T556 PolarHBondContact OD1-OG1 2.78Å; Y517-T556 HydrophobicContact CD1-CG2 3.89Å; Y517-T556 HydrophobicContact CE1-CG2 3.67Å; T556-G558 PolarHBondContact O-N 2.85Å; T556-I559 WeakPolarHBondContact O-CB 3.48Å; T556-I559 PolarHBondContact O-N 2.96Å; T556-H587 PolarHBondContact O-CE1 3.21Å; T556-H587 VanDerWaalsContact O-CE1 3.31Å
557P92.5Very high95.2Very high105 Ų10527.5 Ų27.568%0.68218%0.184SC*.THydrogen-bonded Turntrans-57.1-16.7-170.3-31.537.1000117.8I559P557-I559 VanDerWaalsContact C-N 3.34Å
558G91.7Very high95Very high42 Ų4228.6 Ų28.643%0.43319%0.194SC..THydrogen-bonded Turntrans-81.7-6173.100000115T556T556-G558 PolarHBondContact O-N 2.85Å
559I96.6Very high94.8Very high0 Ų030 Ų300%020%0.202CC..PPolyproline II helixtrans-88.1134.1176.1-60170.5000109.3Y517 F526 F528 L555 T556 P557 H587Y517-I559 HydrophobicContact CD1-CD1 4.16Å; Y517-I559 HydrophobicContact CD1-CG1 4.08Å; Y517-I559 HydrophobicContact CD2-CD1 4.3Å; Y517-I559 HydrophobicContact CD2-CG1 3.76Å; Y517-I559 HydrophobicContact CE1-CG1 4.37Å; Y517-I559 HydrophobicContact CE2-CG1 4.06Å; Y517-I559 HydrophobicContact CG-CD1 3.84Å; Y517-I559 HydrophobicContact CG-CG1 3.76Å; F526-I559 HydrophobicContact CB-CG1 4.36Å; F526-I559 HydrophobicContact CD1-CB 4.48Å; F526-I559 HydrophobicContact CD1-CD1 4.16Å; F526-I559 HydrophobicContact CD1-CG1 3.92Å; F526-I559 HydrophobicContact CD1-CG2 3.9Å; F526-I559 HydrophobicContact CE1-CD1 4.5Å; F526-I559 HydrophobicContact CG-CG1 4.45Å; F528-I559 HydrophobicContact CB-CG2 3.78Å; L555-I559 HydrophobicContact CD1-CB 4.36Å; L555-I559 HydrophobicContact CD1-CD1 3.64Å; L555-I559 HydrophobicContact CD1-CG2 4.15Å; L555-I559 HydrophobicContact CD2-CB 4.14Å; L555-I559 HydrophobicContact CD2-CG2 3.82Å; L555-I559 HydrophobicContact CG-CB 4.07Å; L555-I559 HydrophobicContact CG-CD1 4.08Å; L555-I559 HydrophobicContact CG-CG2 4.13Å; T556-I559 WeakPolarHBondContact O-CB 3.48Å; T556-I559 PolarHBondContact O-N 2.96Å; P557-I559 VanDerWaalsContact C-N 3.34Å; I559-H587 PolarHBondContact O-ND1 3.11Å
560A96.6Very high94.6Very high13 Ų1328 Ų2811%0.10719%0.186CC..EExtended strand (participates in β ladder)trans-93.3148.3172.600000111.5F526 L527 F528 P588 V590F526-A560 PolarHBondContact O-N 3.42Å; L527-A560 CarbonylContact C-O 3.55Å; L527-A560 WeakPolarHBondContact CA-O 3.43Å; L527-A560 HydrophobicContact CD2-CB 3.87Å; F528-A560 PolarHBondContact N-O 3.02Å; A560-P588 CarbonylContact C-O 3.57Å; A560-P588 VanDerWaalsContact CA-O 3.24Å; A560-P588 WeakPolarHBondContact CA-O 3.33Å; A560-P588 HydrophobicContact CB-CB 4.05Å; A560-P588 WeakPolarHBondContact CB-O 3.45Å; A560-V590 HydrophobicContact CB-CG2 4.13Å
561V97.2Very high94.3Very high0 Ų031.3 Ų31.30%020%0.198CC..EExtended strand (participates in β ladder)trans-102.5131.5-178.4178.90000110.3F528 P530 V551 L555 L585 H587 P588 I589 V590F528-V561 WeakPolarHBondContact O-CA 3.48Å; P530-V561 HydrophobicContact CG-CG1 4.03Å; V551-V561 HydrophobicContact CG1-CG2 4.31Å; L555-V561 HydrophobicContact CD2-CG2 3.82Å; V561-L585 HydrophobicContact CB-CD1 4.24Å; V561-L585 HydrophobicContact CG1-CD1 3.91Å; V561-L585 HydrophobicContact CG2-CD1 4.43Å; V561-H587 HydrophobicContact CG2-CB 3.74Å; V561-P588 PolarHBondContact N-O 3.32Å; V561-I589 HydrophobicContact CB-CD1 4.27Å; V561-I589 WeakPolarHBondContact O-CA 3.29Å; V561-V590 PolarHBondContact O-N 2.76Å
562I97Very high94Very high6 Ų635.5 Ų35.53%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-81.5138.8174.8-66.2166000109.9L486 L527 F528 C529 P530 V590 W592L486-I562 HydrophobicContact CD2-CD1 3.59Å; L527-I562 HydrophobicContact CB-CD1 3.73Å; L527-I562 HydrophobicContact CB-CG1 4.01Å; L527-I562 HydrophobicContact CD1-CD1 4.11Å; L527-I562 HydrophobicContact CD1-CG1 4.33Å; F528-I562 PolarHBondContact O-N 3.18Å; C529-I562 HydrophobicContact CB-CB 4.04Å; C529-I562 HydrophobicContact CB-CD1 4.09Å; C529-I562 HydrophobicContact CB-CG2 4.4Å; P530-I562 WeakPolarHBondContact CD-O 3.4Å; I562-V590 WeakPolarHBondContact CA-O 3.3Å; I562-W592 HydrophobicContact CG2-CB 3.56Å; I562-W592 HydrophobicContact CG2-CD2 4.35Å; I562-W592 HydrophobicContact CG2-CE3 3.78Å; I562-W592 HydrophobicContact CG2-CG 4.35Å
563W96.4Very high93.8Very high9 Ų934.2 Ų34.23%0.03420%0.204CC..EExtended strand (participates in β ladder)trans-147.1144.5179.8-162.2-102.8000111.9G532 Y533 E535 A538 T542 L548 G565 L581 I589 V590 L591 W592G532-W563 WeakPolarHBondContact O-CZ3 3.39Å; Y533-W563 CarbonylContact O-C 3.26Å; Y533-W563 WeakPolarHBondContact O-CA 3.46Å; E535-W563 HydrophobicContact CB-CZ2 4.28Å; E535-W563 VanDerWaalsContact N-CZ2 3.28Å; A538-W563 HydrophobicContact CB-CH2 4.49Å; T542-W563 HydrophobicContact CG2-CH2 4.2Å; T542-W563 HydrophobicContact CG2-CZ2 4.42Å; L548-W563 HydrophobicContact CD1-CH2 3.86Å; L548-W563 HydrophobicContact CD1-CZ3 3.99Å; L548-W563 HydrophobicContact CD2-CZ3 4.28Å; W563-G565 PolarHBondContact NE1-O 3.04Å; W563-G565 VanDerWaalsContact NE1-O 3.15Å; W563-L581 HydrophobicContact CB-CD2 4.13Å; W563-L581 HydrophobicContact CD2-CD1 4.22Å; W563-L581 HydrophobicContact CD2-CD2 3.49Å; W563-L581 VanDerWaalsContact CD2-CD2 3.49Å; W563-L581 HydrophobicContact CE3-CD1 4.18Å; W563-L581 HydrophobicContact CE3-CD2 4.05Å; W563-L581 HydrophobicContact CG-CD2 3.51Å; W563-L581 HydrophobicContact CH2-CD1 3.85Å; W563-L581 HydrophobicContact CZ2-CD1 3.87Å; W563-L581 HydrophobicContact CZ2-CD2 4.33Å; W563-L581 HydrophobicContact CZ3-CD1 3.99Å; W563-I589 HydrophobicContact CB-CG2 3.76Å; W563-V590 PolarHBondContact N-O 3.43Å; W563-L591 CarbonylContact O-C 3.56Å; W563-L591 WeakPolarHBondContact O-CA 3.43Å; W563-W592 PolarHBondContact O-N 3.33Å
564T95Very high93.6Very high0 Ų032.5 Ų32.50%019%0.187CC..  trans-104.7-2.8178.965.60000114.6Y533 S534 L567 V568 S570 W592Y533-T564 HydrophobicContact CD2-CG2 3.76Å; Y533-T564 HydrophobicContact CE2-CG2 4.27Å; Y533-T564 PolarHBondContact O-N 3.42Å; S534-T564 VanDerWaalsContact CB-OG1 3.3Å; S534-T564 WeakPolarHBondContact CB-OG1 3.3Å; T564-L567 CarbonylContact C-O 3.47Å; T564-L567 PolarHBondContact OG1-O 3.22Å; T564-V568 WeakPolarHBondContact OG1-CA 3.49Å; T564-S570 WeakPolarHBondContact O-CB 3.26Å; T564-S570 PolarHBondContact O-OG 2.89Å; T564-W592 WeakPolarHBondContact CA-O 3.42Å; T564-W592 HydrophobicContact CG2-CB 4.24Å; T564-W592 HydrophobicContact CG2-CG 4.47Å; T564-W592 WeakPolarHBondContact CG2-O 3.31Å
565G93.6Very high93.3Very high2 Ų231.4 Ų31.42%0.02118%0.18CC..  trans104-154.9-179.600000113.3S534 E535 W563 L567S534-G565 WeakPolarHBondContact CA-O 3.41Å; E535-G565 PolarHBondContact N-O 2.97Å; E535-G565 VanDerWaalsContact N-O 3.16Å; W563-G565 PolarHBondContact NE1-O 3.04Å; W563-G565 VanDerWaalsContact NE1-O 3.15Å; G565-L567 PolarHBondContact O-N 3.21Å
566P92.8Very high92.9Very high31 Ų3136.9 Ų36.920%0.20120%0.203CC..SBendtrans-60.1-32.3178.3-27.336.7000113.8S536 S570 E577S536-P566 PolarHBondContact N-O 3.5Å; P566-S570 WeakPolarHBondContact CD-OG 3.45Å; P566-E577 WeakPolarHBondContact CG-OE2 3.43Å
567L93Very high92.6Very high87 Ų8738.3 Ų38.346%0.45521%0.208SC..SBendtrans-124.9171.9179.2-59.4179.2000110.6T564 G565 V569 S570T564-L567 CarbonylContact C-O 3.47Å; T564-L567 PolarHBondContact OG1-O 3.22Å; G565-L567 PolarHBondContact O-N 3.21Å; L567-V569 VanDerWaalsContact C-N 3.35Å; L567-V569 WeakPolarHBondContact CB-O 3.23Å; L567-S570 PolarHBondContact N-OG 3.05Å; L567-S570 VanDerWaalsContact N-OG 3.1Å; L567-S570 PolarHBondContact O-OG 3.22Å
568V90.8Very high92.5Very high51 Ų5133.4 Ų33.431%0.30918%0.176SC..SBendtrans-62.2-44.9166.8178.50000110.2Y533 L537 T564 N594Y533-V568 HydrophobicContact CE2-CG1 4.32Å; Y533-V568 HydrophobicContact CE2-CG2 4.12Å; L537-V568 HydrophobicContact CD1-CG2 3.79Å; L537-V568 HydrophobicContact CG-CG2 4.3Å; T564-V568 WeakPolarHBondContact OG1-CA 3.49Å; V568-N594 WeakPolarHBondContact O-CB 3.49Å; V568-N594 PolarHBondContact O-ND2 3.35Å
569V90.9Very high92.5Very high29 Ų2937.3 Ų37.318%0.17618%0.18CC..SBendtrans-111.899.9170.5-171.10000108.2L567 N594 V597 Y600 F801L567-V569 VanDerWaalsContact C-N 3.35Å; L567-V569 WeakPolarHBondContact CB-O 3.23Å; V569-N594 HydrophobicContact CG2-CB 4.26Å; V569-V597 HydrophobicContact CG2-CG1 4.39Å; V569-Y600 HydrophobicContact CG2-CE1 4.2Å; V569-F801 HydrophobicContact CB-CZ 4.24Å; V569-F801 HydrophobicContact CG1-CE2 3.91Å; V569-F801 HydrophobicContact CG1-CZ 3.69Å; V569-F801 VanDerWaalsContact O-CZ 3.3Å; V569-F801 WeakPolarHBondContact O-CZ 3.29Å
570S90.7Very high92.3Very high1 Ų142.6 Ų42.61%0.00721%0.205CC..  trans-91.6122.8-171.6-66.80000112.7T564 P566 L567 R572 R613T564-S570 WeakPolarHBondContact O-CB 3.26Å; T564-S570 PolarHBondContact O-OG 2.89Å; P566-S570 WeakPolarHBondContact CD-OG 3.45Å; L567-S570 PolarHBondContact N-OG 3.05Å; L567-S570 VanDerWaalsContact N-OG 3.1Å; L567-S570 PolarHBondContact O-OG 3.22Å; S570-R572 VanDerWaalsContact C-N 3.34Å; S570-R572 PolarHBondContact O-N 3.11Å; S570-R613 PolarHBondContact O-NH1 3.06Å; S570-R613 PolarHBondContact O-NH2 2.79Å
571K88.1Confident92.1Very high90 Ų9042.3 Ų42.339%0.39120%0.202SC..SBendtrans-63.3-40172.9-175.4175.6-171.91530112R613 F801K571-R613 PolarHBondContact O-NH1 3.11Å; K571-R613 VanDerWaalsContact O-NH1 3.11Å; K571-F801 HydrophobicContact CB-CB 4.2Å; K571-F801 HydrophobicContact CB-CD1 4.17Å; K571-F801 HydrophobicContact CB-CD2 3.62Å; K571-F801 HydrophobicContact CB-CE1 4.48Å; K571-F801 HydrophobicContact CB-CE2 3.97Å; K571-F801 HydrophobicContact CB-CG 3.72Å; K571-F801 HydrophobicContact CB-CZ 4.39Å; K571-F801 HydrophobicContact CD-CB 3.51Å; K571-F801 HydrophobicContact CD-CG 4.01Å; K571-F801 HydrophobicContact CG-CB 3.65Å; K571-F801 HydrophobicContact CG-CD2 3.81Å; K571-F801 HydrophobicContact CG-CG 3.75Å; K571-F801 PolarHBondContact NZ-O 2.94Å
572R90.5Very high91.9Very high88 Ų8846.1 Ų46.133%0.33222%0.218SC..  trans-143.3156.7176.2-61-172.9-179.5165.61.9108.9S570 G612 D673S570-R572 VanDerWaalsContact C-N 3.34Å; S570-R572 PolarHBondContact O-N 3.11Å; R572-G612 VanDerWaalsContact CA-O 3.29Å; R572-G612 WeakPolarHBondContact CA-O 3.49Å; R572-G612 WeakPolarHBondContact CB-O 3.38Å; R572-D673 IonicContact CZ-OD2 2.7Å; R572-D673 IonicContact NH2-OD2 2.66Å; R572-D673 PolarHBondContact NH2-OD2 2.92Å
573T91.4Very high91.7Very high1 Ų150.1 Ų50.11%0.00624%0.243CC..  trans-138.1112.1173.2-50.90000106.9L578 L591 G612 P614T573-L578 HydrophobicContact CG2-CD1 3.54Å; T573-L578 HydrophobicContact CG2-CG 3.85Å; T573-L591 HydrophobicContact CG2-CD1 4.27Å; T573-G612 PolarHBondContact N-O 3.34Å; T573-G612 VanDerWaalsContact N-O 3.1Å; T573-P614 VanDerWaalsContact O-CD 3.26Å; T573-P614 WeakPolarHBondContact O-CD 3.39Å
574L90.7Very high91.6Very high55 Ų5552.4 Ų52.429%0.28825%0.254SS..  trans-90.5153.9-170.1-56.6-178.6000112.4K576 E577 L578L574-K576 VanDerWaalsContact C-N 3.27Å; L574-K576 PolarHBondContact O-N 2.87Å; L574-E577 HydrophobicContact CB-CB 4.47Å; L574-E577 HydrophobicContact CB-CG 4.01Å; L574-E577 WeakPolarHBondContact CB-OE2 3.22Å; L574-E577 WeakPolarHBondContact CD1-OE1 3.35Å; L574-E577 PolarHBondContact N-OE2 2.84Å; L574-E577 PolarHBondContact O-N 2.84Å; L574-L578 PolarHBondContact O-N 2.85Å
575A90Very high91.5Very high4 Ų452.4 Ų52.43%0.03325%0.254CS..Hα-helixtrans-65.4-33178.600000112.2K579 P614 A616 L617 L622A575-K579 WeakPolarHBondContact O-CB 3.24Å; A575-K579 PolarHBondContact O-N 3.26Å; A575-P614 HydrophobicContact CB-CG 4.31Å; A575-A616 HydrophobicContact CB-CB 3.93Å; A575-L617 VanDerWaalsContact CA-CD2 3.47Å; A575-L617 HydrophobicContact CB-CD2 3.97Å; A575-L622 HydrophobicContact CB-CD1 3.98Å; A575-L622 WeakPolarHBondContact O-CD1 3.14Å
576K89.9Confident91.5Very high125 Ų12559.5 Ų59.554%0.54329%0.286SS..Hα-helixtrans-61.9-49.4172.4-175.1-171.6165.1-165.20112.2L574 K579 E580L574-K576 VanDerWaalsContact C-N 3.27Å; L574-K576 PolarHBondContact O-N 2.87Å; K576-K579 PolarHBondContact O-N 2.86Å; K576-E580 WeakPolarHBondContact CE-OE1 3.34Å; K576-E580 IonicContact NZ-OE1 2.77Å; K576-E580 PolarHBondContact O-N 3.34Å
577E88.7Confident91.6Very high66 Ų6658.3 Ų58.331%0.30828%0.278SS..Hα-helixtrans-60.6-50.4-176.8-65.4161177.100111.2P566 L574 K579 E580 L581P566-E577 WeakPolarHBondContact CG-OE2 3.43Å; L574-E577 HydrophobicContact CB-CB 4.47Å; L574-E577 HydrophobicContact CB-CG 4.01Å; L574-E577 WeakPolarHBondContact CB-OE2 3.22Å; L574-E577 WeakPolarHBondContact CD1-OE1 3.35Å; L574-E577 PolarHBondContact N-OE2 2.84Å; L574-E577 PolarHBondContact O-N 2.84Å; E577-K579 VanDerWaalsContact C-N 3.32Å; E577-K579 PolarHBondContact O-N 3.06Å; E577-E580 PolarHBondContact O-N 3.39Å; E577-L581 PolarHBondContact O-N 3.13Å
578L90.9Very high91.6Very high2 Ų256.7 Ų56.71%0.0127%0.273CS..Hα-helixtrans-68-29.5177.7-81.7171.8000113.1T573 L574 L581 F582 I589 L617 L623T573-L578 HydrophobicContact CG2-CD1 3.54Å; T573-L578 HydrophobicContact CG2-CG 3.85Å; L574-L578 PolarHBondContact O-N 2.85Å; L578-L581 HydrophobicContact CD2-CD2 3.87Å; L578-F582 VanDerWaalsContact O-CB 3.25Å; L578-F582 WeakPolarHBondContact O-CB 3.39Å; L578-F582 PolarHBondContact O-N 2.8Å; L578-I589 HydrophobicContact CD2-CG2 3.93Å; L578-L617 HydrophobicContact CB-CD2 4.43Å; L578-L617 HydrophobicContact CD1-CD1 3.9Å; L578-L617 HydrophobicContact CD1-CD2 3.71Å; L578-L617 HydrophobicContact CD1-CG 4.35Å; L578-L623 HydrophobicContact CD1-CD1 4.49Å; L578-L623 HydrophobicContact CD1-CD2 3.79Å; L578-L623 HydrophobicContact CD1-CG 4.24Å; L578-L623 HydrophobicContact CD2-CD2 4.4Å
579K92Very high91.9Very high123 Ų12354.3 Ų54.354%0.53526%0.258SS..Hα-helixtrans-68.8-38.5172.4-175.5176.2-179.1177.10112.1A575 K576 E577 T583 L622A575-K579 WeakPolarHBondContact O-CB 3.24Å; A575-K579 PolarHBondContact O-N 3.26Å; K576-K579 PolarHBondContact O-N 2.86Å; E577-K579 VanDerWaalsContact C-N 3.32Å; E577-K579 PolarHBondContact O-N 3.06Å; K579-T583 WeakPolarHBondContact O-CB 3.43Å; K579-T583 PolarHBondContact O-N 2.8Å; K579-T583 PolarHBondContact O-OG1 3.21Å; K579-L622 HydrophobicContact CB-CD1 4.32Å; K579-L622 HydrophobicContact CB-CD2 3.96Å; K579-L622 HydrophobicContact CG-CD2 4.15Å
580E92.1Very high92.1Very high112 Ų11253.4 Ų53.452%0.52325%0.253SS..Hα-helixtrans-66.7-42.6173.8-72.6178.8-160.900111.1K576 E577 T583 F584K576-E580 WeakPolarHBondContact CE-OE1 3.34Å; K576-E580 IonicContact NZ-OE1 2.77Å; K576-E580 PolarHBondContact O-N 3.34Å; E577-E580 PolarHBondContact O-N 3.39Å; E580-T583 PolarHBondContact O-N 3.17Å; E580-F584 WeakPolarHBondContact O-CB 3.48Å; E580-F584 PolarHBondContact O-N 2.78Å
581L93.4Very high92.4Very high7 Ų753.3 Ų53.34%0.03725%0.252CS..Hα-helixtrans-59.8-49.7172.5-178.472.4000112.3T542 W563 E577 L578 T583 F584 L585 I589T542-L581 HydrophobicContact CG2-CD1 3.55Å; W563-L581 HydrophobicContact CB-CD2 4.13Å; W563-L581 HydrophobicContact CD2-CD1 4.22Å; W563-L581 HydrophobicContact CD2-CD2 3.49Å; W563-L581 VanDerWaalsContact CD2-CD2 3.49Å; W563-L581 HydrophobicContact CE3-CD1 4.18Å; W563-L581 HydrophobicContact CE3-CD2 4.05Å; W563-L581 HydrophobicContact CG-CD2 3.51Å; W563-L581 HydrophobicContact CH2-CD1 3.85Å; W563-L581 HydrophobicContact CZ2-CD1 3.87Å; W563-L581 HydrophobicContact CZ2-CD2 4.33Å; W563-L581 HydrophobicContact CZ3-CD1 3.99Å; E577-L581 PolarHBondContact O-N 3.13Å; L578-L581 HydrophobicContact CD2-CD2 3.87Å; L581-T583 VanDerWaalsContact C-N 3.31Å; L581-T583 PolarHBondContact O-N 3.07Å; L581-F584 PolarHBondContact O-N 2.63Å; L581-F584 VanDerWaalsContact O-N 3.15Å; L581-L585 HydrophobicContact CD1-CD1 3.7Å; L581-L585 HydrophobicContact CD1-CG 4.03Å; L581-L585 HydrophobicContact CD2-CD1 4.46Å; L581-L585 HydrophobicContact CG-CD1 3.93Å; L581-L585 HydrophobicContact CG-CG 4.38Å; L581-L585 PolarHBondContact O-N 2.89Å; L581-I589 HydrophobicContact CD2-CD1 3.97Å; L581-I589 HydrophobicContact CD2-CG1 4.15Å; L581-I589 HydrophobicContact CD2-CG2 4.18Å; L581-I589 HydrophobicContact CG-CD1 4.21Å
582F92.6Very high92.8Very high79 Ų7951.7 Ų51.735%0.34624%0.244SC..Hα-helixtrans-61.4-38.7178.4178.9-96.3000111.9L578 F584 Q586 H587 I589L578-F582 VanDerWaalsContact O-CB 3.25Å; L578-F582 WeakPolarHBondContact O-CB 3.39Å; L578-F582 PolarHBondContact O-N 2.8Å; F582-F584 VanDerWaalsContact C-N 3.31Å; F582-F584 PolarHBondContact O-N 2.8Å; F582-Q586 WeakPolarHBondContact O-CA 3.5Å; F582-Q586 PolarHBondContact O-N 3.38Å; F582-H587 WeakPolarHBondContact CD2-O 2.97Å; F582-H587 WeakPolarHBondContact CE2-O 3.36Å; F582-I589 HydrophobicContact CB-CG1 4.43Å; F582-I589 HydrophobicContact CD2-CG1 4.42Å
583T92.6Very high93Very high90 Ų9047.5 Ų47.555%0.55223%0.228SC*.Hα-helixtrans-66-34176-55.40000112.1K579 E580 L581K579-T583 WeakPolarHBondContact O-CB 3.43Å; K579-T583 PolarHBondContact O-N 2.8Å; K579-T583 PolarHBondContact O-OG1 3.21Å; E580-T583 PolarHBondContact O-N 3.17Å; L581-T583 VanDerWaalsContact C-N 3.31Å; L581-T583 PolarHBondContact O-N 3.07Å
584F94.1Very high93.1Very high57 Ų5747.9 Ų47.925%0.2523%0.23CC..Hα-helixtrans-78.7-46.6178.4177.5-102.2000112.9T542 N543 L548 A549 A552 E580 L581 F582T542-F584 WeakPolarHBondContact O-CE1 3.36Å; N543-F584 HydrophobicContact CB-CD2 4.38Å; N543-F584 HydrophobicContact CB-CE2 4.49Å; L548-F584 HydrophobicContact CB-CE1 3.85Å; A549-F584 HydrophobicContact CB-CZ 4.2Å; A552-F584 WeakPolarHBondContact CB-O 3.32Å; E580-F584 WeakPolarHBondContact O-CB 3.48Å; E580-F584 PolarHBondContact O-N 2.78Å; L581-F584 PolarHBondContact O-N 2.63Å; L581-F584 VanDerWaalsContact O-N 3.15Å; F582-F584 VanDerWaalsContact C-N 3.31Å; F582-F584 PolarHBondContact O-N 2.8Å
585L93.8Very high93.3Very high0 Ų045.4 Ų45.40%022%0.217CC..Hα-helixtrans-79-34.6-178.3-68.9-177.2000113.3L548 A552 V561 L581 H587 I589L548-L585 HydrophobicContact CB-CD2 4.31Å; A552-L585 HydrophobicContact CB-CD2 4.09Å; V561-L585 HydrophobicContact CB-CD1 4.24Å; V561-L585 HydrophobicContact CG1-CD1 3.91Å; V561-L585 HydrophobicContact CG2-CD1 4.43Å; L581-L585 HydrophobicContact CD1-CD1 3.7Å; L581-L585 HydrophobicContact CD1-CG 4.03Å; L581-L585 HydrophobicContact CD2-CD1 4.46Å; L581-L585 HydrophobicContact CG-CD1 3.93Å; L581-L585 HydrophobicContact CG-CG 4.38Å; L581-L585 PolarHBondContact O-N 2.89Å; L585-H587 PolarHBondContact O-CD2 2.99Å; L585-H587 PolarHBondContact O-N 3.08Å; L585-I589 HydrophobicContact CD1-CD1 3.8Å
586Q93.2Very high93.4Very high151 Ų15145.2 Ų45.271%0.70622%0.216SC*.  trans61.614.2-174.3-50.9-172.76.200115.2F582F582-Q586 WeakPolarHBondContact O-CA 3.5Å; F582-Q586 PolarHBondContact O-N 3.38Å
587H94.5Very high93.5Very high6 Ų639.5 Ų39.53%0.02819%0.191CC..SBendtrans-107.9150.7172.4-72.5-87000111.4L555 T556 I559 V561 F582 L585 I589L555-H587 PolarHBondContact O-CE1 2.94Å; T556-H587 PolarHBondContact O-CE1 3.21Å; T556-H587 VanDerWaalsContact O-CE1 3.31Å; I559-H587 PolarHBondContact O-ND1 3.11Å; V561-H587 HydrophobicContact CG2-CB 3.74Å; F582-H587 WeakPolarHBondContact CD2-O 2.97Å; F582-H587 WeakPolarHBondContact CE2-O 3.36Å; L585-H587 PolarHBondContact O-CD2 2.99Å; L585-H587 PolarHBondContact O-N 3.08Å; H587-I589 WeakPolarHBondContact O-CD1 3.24Å; H587-I589 PolarHBondContact O-N 3.16Å
588P93.7Very high93.4Very high54 Ų5436.4 Ų36.435%0.35118%0.176SC..  trans-57134.5169-20.131.8000111A560 V561A560-P588 CarbonylContact C-O 3.57Å; A560-P588 VanDerWaalsContact CA-O 3.24Å; A560-P588 WeakPolarHBondContact CA-O 3.33Å; A560-P588 HydrophobicContact CB-CB 4.05Å; A560-P588 WeakPolarHBondContact CB-O 3.45Å; V561-P588 PolarHBondContact N-O 3.32Å
589I95.5Very high93Very high0 Ų040.9 Ų40.90%020%0.201CC..EExtended strand (participates in β ladder)trans-97.9131.8179.6-50.2-57.3000110.2V561 W563 L578 L581 F582 L585 H587 L623 G624V561-I589 HydrophobicContact CB-CD1 4.27Å; V561-I589 WeakPolarHBondContact O-CA 3.29Å; W563-I589 HydrophobicContact CB-CG2 3.76Å; L578-I589 HydrophobicContact CD2-CG2 3.93Å; L581-I589 HydrophobicContact CD2-CD1 3.97Å; L581-I589 HydrophobicContact CD2-CG1 4.15Å; L581-I589 HydrophobicContact CD2-CG2 4.18Å; L581-I589 HydrophobicContact CG-CD1 4.21Å; F582-I589 HydrophobicContact CB-CG1 4.43Å; F582-I589 HydrophobicContact CD2-CG1 4.42Å; L585-I589 HydrophobicContact CD1-CD1 3.8Å; H587-I589 WeakPolarHBondContact O-CD1 3.24Å; H587-I589 PolarHBondContact O-N 3.16Å; I589-L623 HydrophobicContact CB-CD2 4.16Å; I589-L623 HydrophobicContact CG2-CD2 4.1Å; I589-L623 CarbonylContact O-C 3.58Å; I589-L623 WeakPolarHBondContact O-CA 3.03Å; I589-G624 PolarHBondContact O-N 3.45Å
590V96.3Very high92.3Very high10 Ų1040.5 Ų40.56%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-107.4120.2167.8175.50000108.3L527 A560 V561 I562 W563 W592 L627L527-V590 HydrophobicContact CD2-CG2 3.85Å; A560-V590 HydrophobicContact CB-CG2 4.13Å; V561-V590 PolarHBondContact O-N 2.76Å; I562-V590 WeakPolarHBondContact CA-O 3.3Å; W563-V590 PolarHBondContact N-O 3.43Å; V590-W592 PolarHBondContact O-N 3.42Å; V590-L627 HydrophobicContact CG1-CD1 3.91Å; V590-L627 HydrophobicContact CG1-CG 3.92Å
591L96.4Very high91.4Very high0 Ų036.2 Ų36.20%018%0.177CC..EExtended strand (participates in β ladder)trans-78.3109.8179-174.467.7000109.4W563 T573 D593 R613 L623 G625 V626 L627W563-L591 CarbonylContact O-C 3.56Å; W563-L591 WeakPolarHBondContact O-CA 3.43Å; T573-L591 HydrophobicContact CG2-CD1 4.27Å; L591-D593 HydrophobicContact CD2-CB 4.29Å; L591-D593 VanDerWaalsContact CD2-OD2 3.28Å; L591-D593 WeakPolarHBondContact CD2-OD2 3.41Å; L591-D593 HydrophobicContact CG-CB 4.13Å; L591-D593 PolarHBondContact O-N 3.1Å; L591-R613 HydrophobicContact CD2-CG 4.19Å; L591-L623 HydrophobicContact CB-CD1 3.92Å; L591-L623 HydrophobicContact CB-CD2 3.92Å; L591-L623 HydrophobicContact CD2-CD1 4.15Å; L591-G625 PolarHBondContact N-O 3.03Å; L591-V626 HydrophobicContact CB-CG2 4.32Å; L591-V626 CarbonylContact O-C 3.47Å; L591-V626 WeakPolarHBondContact O-CA 3.35Å; L591-L627 PolarHBondContact O-N 2.79Å
592W95.9Very high90.1Very high56 Ų5642.4 Ų42.421%0.21221%0.206CC..EExtended strand (participates in β ladder)trans-84.1101.6165.7-177.98.7000107.5D488 I562 W563 T564 V590 L627D488-W592 VanDerWaalsContact OD2-CH2 3.28Å; D488-W592 WeakPolarHBondContact OD2-CH2 3.35Å; D488-W592 VanDerWaalsContact OD2-CZ3 3.27Å; D488-W592 WeakPolarHBondContact OD2-CZ3 3.49Å; I562-W592 HydrophobicContact CG2-CB 3.56Å; I562-W592 HydrophobicContact CG2-CD2 4.35Å; I562-W592 HydrophobicContact CG2-CE3 3.78Å; I562-W592 HydrophobicContact CG2-CG 4.35Å; W563-W592 PolarHBondContact O-N 3.33Å; T564-W592 WeakPolarHBondContact CA-O 3.42Å; T564-W592 HydrophobicContact CG2-CB 4.24Å; T564-W592 HydrophobicContact CG2-CG 4.47Å; T564-W592 WeakPolarHBondContact CG2-O 3.31Å; V590-W592 PolarHBondContact O-N 3.42Å; W592-L627 CarbonylContact C-O 3.48Å; W592-L627 WeakPolarHBondContact CA-O 3.32Å
593D95.4Very high89Confident0 Ų048.7 Ų48.70%023%0.227CC..EExtended strand (participates in β ladder)trans-99.3100.2-164.4-154-32.2000112.3L591 L595 Y610 R613 V626 L627 N629L591-D593 HydrophobicContact CD2-CB 4.29Å; L591-D593 VanDerWaalsContact CD2-OD2 3.28Å; L591-D593 WeakPolarHBondContact CD2-OD2 3.41Å; L591-D593 HydrophobicContact CG-CB 4.13Å; L591-D593 PolarHBondContact O-N 3.1Å; D593-L595 PolarHBondContact O-N 3.34Å; D593-L595 WeakPolarHBondContact OD1-CB 3.3Å; D593-L595 PolarHBondContact OD1-N 3.17Å; D593-L595 VanDerWaalsContact OD1-N 3.15Å; D593-Y610 HydrophobicContact CB-CE2 4.37Å; D593-Y610 WeakPolarHBondContact OD2-CE2 3.49Å; D593-Y610 PolarHBondContact OD2-OH 2.91Å; D593-R613 IonicContact OD1-CZ 3.44Å; D593-R613 IonicContact OD1-NE 2.66Å; D593-R613 PolarHBondContact OD1-NE 3.46Å; D593-R613 IonicContact OD1-NH2 3.79Å; D593-R613 PolarHBondContact OD1-NH2 3.04Å; D593-R613 IonicContact OD2-CZ 2.74Å; D593-R613 IonicContact OD2-NE 3.78Å; D593-R613 PolarHBondContact OD2-NE 3.1Å; D593-R613 IonicContact OD2-NH2 3.2Å; D593-R613 PolarHBondContact OD2-NH2 2.99Å; D593-V626 HydrophobicContact CB-CG1 4.24Å; D593-L627 PolarHBondContact N-O 3.26Å; D593-N629 PolarHBondContact O-N 2.98Å
594N94.2Very high87.9Confident9 Ų950.2 Ų50.25%0.04822%0.223CC..G310 helixtrans-79.615.9179.1-68.5-38.7000114.2V568 V569 H596 V597 N629V568-N594 WeakPolarHBondContact O-CB 3.49Å; V568-N594 PolarHBondContact O-ND2 3.35Å; V569-N594 HydrophobicContact CG2-CB 4.26Å; N594-H596 PolarHBondContact O-N 3.23Å; N594-H596 VanDerWaalsContact O-N 3.08Å; N594-V597 HydrophobicContact CB-CB 4.43Å; N594-V597 HydrophobicContact CB-CG1 3.82Å; N594-V597 PolarHBondContact O-N 3.17Å; N594-N629 WeakPolarHBondContact OD1-CB 3.45Å; N594-N629 PolarHBondContact OD1-ND2 2.81Å
595L93.9Very high87.3Confident3 Ų348.8 Ų48.82%0.01622%0.219CC..G310 helixtrans-53.9-29.8-177.8179.360.7000114.5D593 Y610 S611 L799 P800D593-L595 PolarHBondContact O-N 3.34Å; D593-L595 WeakPolarHBondContact OD1-CB 3.3Å; D593-L595 PolarHBondContact OD1-N 3.17Å; D593-L595 VanDerWaalsContact OD1-N 3.15Å; L595-Y610 HydrophobicContact CD2-CD2 4.04Å; L595-S611 WeakPolarHBondContact CD2-O 2.84Å; L595-L799 HydrophobicContact CD1-CD2 4.24Å; L595-L799 HydrophobicContact CG-CD2 4.19Å; L595-P800 WeakPolarHBondContact O-CD 3.42Å; L595-P800 WeakPolarHBondContact O-CG 3.43Å
596H93.1Very high87Confident0 Ų049.3 Ų49.30%022%0.221CC..G310 helixtrans-114.54.3-175.2-70.3100.1000114N594 F606 G608 N629 P630 N631 A640N594-H596 PolarHBondContact O-N 3.23Å; N594-H596 VanDerWaalsContact O-N 3.08Å; H596-F606 PolarHBondContact CD2-O 2.66Å; H596-G608 PolarHBondContact NE2-O 3.15Å; H596-N629 CarbonylContact C-O 3.5Å; H596-P630 CarbonylContact O-C 3.57Å; H596-N631 VanDerWaalsContact O-CG 3.25Å; H596-N631 PolarHBondContact O-N 3.46Å; H596-N631 VanDerWaalsContact O-N 3.17Å; H596-N631 PolarHBondContact O-OD1 2.74Å; H596-A640 HydrophobicContact CB-CB 4.24Å
597V91.1Very high86.6Confident5 Ų542.3 Ų42.33%0.0319%0.188CC..  trans-73.9143.5-177.283.30000111.4V569 N594 D599 Y600 F606 N629V569-V597 HydrophobicContact CG2-CG1 4.39Å; N594-V597 HydrophobicContact CB-CB 4.43Å; N594-V597 HydrophobicContact CB-CG1 3.82Å; N594-V597 PolarHBondContact O-N 3.17Å; V597-D599 HydrophobicContact CG2-CB 4.34Å; V597-D599 WeakPolarHBondContact CG2-OD1 3.34Å; V597-Y600 HydrophobicContact CG1-CD1 4.03Å; V597-Y600 HydrophobicContact CG1-CE1 3.83Å; V597-Y600 WeakPolarHBondContact O-CE1 3.34Å; V597-F606 WeakPolarHBondContact O-CE2 3.43Å; V597-N629 HydrophobicContact CB-CB 4.16Å; V597-N629 HydrophobicContact CG2-CB 4.22Å; V597-N629 WeakPolarHBondContact CG2-ND2 3.34Å; V597-N629 PolarHBondContact N-O 2.87Å
598N86.9Confident86.4Confident0 Ų042 Ų420%019%0.187CC..  trans-136.59.1178.771.4-20.6000114.1Y600 D601 Q602 R604 F606 N631 C632 E633N598-Y600 PolarHBondContact O-N 3.15Å; N598-Y600 VanDerWaalsContact O-N 3.17Å; N598-D601 CarbonylContact O-C 3.5Å; N598-D601 PolarHBondContact O-N 2.84Å; N598-Q602 PolarHBondContact O-N 3.24Å; N598-R604 VanDerWaalsContact CB-O 3.29Å; N598-R604 WeakPolarHBondContact CB-O 3.35Å; N598-R604 PolarHBondContact ND2-O 2.92Å; N598-F606 HydrophobicContact CB-CD2 4.19Å; N598-F606 HydrophobicContact CB-CE2 3.94Å; N598-N631 VanDerWaalsContact OD1-CA 3.28Å; N598-N631 WeakPolarHBondContact OD1-CA 3.38Å; N598-C632 PolarHBondContact OD1-N 2.94Å; N598-C632 PolarHBondContact OD1-SG 3.49Å; N598-E633 PolarHBondContact ND2-OE2 3.38Å
599D82.2Confident86.4Confident97 Ų9739.4 Ų39.452%0.51917%0.17SC..THydrogen-bonded Turntrans-53.2-33.5176.457.8-4.8000113.2V597 D601V597-D599 HydrophobicContact CG2-CB 4.34Å; V597-D599 WeakPolarHBondContact CG2-OD1 3.34Å; D599-D601 VanDerWaalsContact C-N 3.34Å; D599-D601 PolarHBondContact O-N 3.31Å
600Y78.2Confident86.3Confident115 Ų11539.4 Ų39.445%0.45117%0.17SC..THydrogen-bonded Turntrans-72.4-17.2175.667.3-98.5000115.1V569 V597 N598V569-Y600 HydrophobicContact CG2-CE1 4.2Å; V597-Y600 HydrophobicContact CG1-CD1 4.03Å; V597-Y600 HydrophobicContact CG1-CE1 3.83Å; V597-Y600 WeakPolarHBondContact O-CE1 3.34Å; N598-Y600 PolarHBondContact O-N 3.15Å; N598-Y600 VanDerWaalsContact O-N 3.17Å
601D72.1Confident86.1Confident21 Ų2139.4 Ų39.411%0.11217%0.171CC..  trans-160.178.7177.1-169.25.3000111N598 D599 R603 R604N598-D601 CarbonylContact O-C 3.5Å; N598-D601 PolarHBondContact O-N 2.84Å; D599-D601 VanDerWaalsContact C-N 3.34Å; D599-D601 PolarHBondContact O-N 3.31Å; D601-R603 VanDerWaalsContact CG-NH2 3.33Å; D601-R603 PolarHBondContact O-N 3.45Å; D601-R603 IonicContact OD1-CZ 4Å; D601-R603 VanDerWaalsContact OD1-CZ 3.23Å; D601-R603 IonicContact OD1-NE 3.3Å; D601-R603 PolarHBondContact OD1-NE 3.16Å; D601-R603 IonicContact OD1-NH2 3.44Å; D601-R603 PolarHBondContact OD1-NH2 2.92Å; D601-R603 IonicContact OD2-NH2 3.85Å; D601-R603 PolarHBondContact OD2-NH2 2.83Å; D601-R604 HydrophobicContact CB-CG 4.27Å; D601-R604 WeakPolarHBondContact O-CB 3.41Å; D601-R604 PolarHBondContact O-N 2.88Å; D601-R604 IonicContact OD2-CZ 3.73Å; D601-R604 IonicContact OD2-NE 2.65Å; D601-R604 PolarHBondContact OD2-NE 3.36Å; D601-R604 IonicContact OD2-NH2 3.52Å; D601-R604 PolarHBondContact OD2-NH2 3.04Å
602Q66.3Low85.8Confident138 Ų13840.8 Ų40.865%0.64519%0.185SC*.THydrogen-bonded Turntrans-57.4-4-177.2-66.9179.4-2000115.4N598 R604N598-Q602 PolarHBondContact O-N 3.24Å; Q602-R604 VanDerWaalsContact C-N 3.28Å
603R68.8Low85.6Confident210 Ų21038.5 Ų38.579%0.79218%0.176SC*.THydrogen-bonded Turntrans-82.1-7.2170.9-59.5166.9-61.7173.67.3112.5D601D601-R603 VanDerWaalsContact CG-NH2 3.33Å; D601-R603 PolarHBondContact O-N 3.45Å; D601-R603 IonicContact OD1-CZ 4Å; D601-R603 VanDerWaalsContact OD1-CZ 3.23Å; D601-R603 IonicContact OD1-NE 3.3Å; D601-R603 PolarHBondContact OD1-NE 3.16Å; D601-R603 IonicContact OD1-NH2 3.44Å; D601-R603 PolarHBondContact OD1-NH2 2.92Å; D601-R603 IonicContact OD2-NH2 3.85Å; D601-R603 PolarHBondContact OD2-NH2 2.83Å
604R71.3Confident85.3Confident122 Ų12239.7 Ų39.746%0.4618%0.184SC..  trans-107.8143.8176.8-54.8-178-172-121.1-7.7109.4N598 D601 Q602 F606N598-R604 VanDerWaalsContact CB-O 3.29Å; N598-R604 WeakPolarHBondContact CB-O 3.35Å; N598-R604 PolarHBondContact ND2-O 2.92Å; D601-R604 HydrophobicContact CB-CG 4.27Å; D601-R604 WeakPolarHBondContact O-CB 3.41Å; D601-R604 PolarHBondContact O-N 2.88Å; D601-R604 IonicContact OD2-CZ 3.73Å; D601-R604 IonicContact OD2-NE 2.65Å; D601-R604 PolarHBondContact OD2-NE 3.36Å; D601-R604 IonicContact OD2-NH2 3.52Å; D601-R604 PolarHBondContact OD2-NH2 3.04Å; Q602-R604 VanDerWaalsContact C-N 3.28Å; R604-F606 HydrophobicContact CB-CE1 4.17Å; R604-F606 HydrophobicContact CB-CE2 4.07Å; R604-F606 HydrophobicContact CB-CZ 3.6Å; R604-F606 HydrophobicContact CG-CZ 4.34Å
605V79.7Confident85.1Confident28 Ų2839.6 Ų39.617%0.1718%0.183CC..  trans-134.6145.8170.4-174.30000107.3I607 E633 A636 F797V605-I607 HydrophobicContact CG1-CD1 4.11Å; V605-I607 HydrophobicContact CG1-CG1 3.95Å; V605-E633 HydrophobicContact CG2-CG 4.34Å; V605-A636 HydrophobicContact CG1-CB 3.6Å; V605-F797 HydrophobicContact CB-CD1 4.27Å; V605-F797 WeakPolarHBondContact O-CB 3.42Å
606F87.4Confident84.8Confident11 Ų1139.6 Ų39.65%0.04818%0.184CC..  trans-125.1109.9-173.7-55.1-61.4000110.9H596 V597 N598 R604 N631 F797 P800H596-F606 PolarHBondContact CD2-O 2.66Å; V597-F606 WeakPolarHBondContact O-CE2 3.43Å; N598-F606 HydrophobicContact CB-CD2 4.19Å; N598-F606 HydrophobicContact CB-CE2 3.94Å; R604-F606 HydrophobicContact CB-CE1 4.17Å; R604-F606 HydrophobicContact CB-CE2 4.07Å; R604-F606 HydrophobicContact CB-CZ 3.6Å; R604-F606 HydrophobicContact CG-CZ 4.34Å; F606-N631 PolarHBondContact N-OD1 3.24Å; F606-N631 PolarHBondContact O-ND2 2.71Å; F606-F797 CarbonylContact C-O 3.54Å; F606-F797 WeakPolarHBondContact CA-O 3.3Å; F606-P800 HydrophobicContact CD1-CG 3.91Å; F606-P800 HydrophobicContact CD2-CG 3.97Å; F606-P800 HydrophobicContact CE1-CB 4.04Å; F606-P800 HydrophobicContact CE1-CG 3.74Å; F606-P800 HydrophobicContact CE2-CG 3.8Å; F606-P800 HydrophobicContact CG-CG 4.01Å; F606-P800 HydrophobicContact CZ-CB 3.98Å; F606-P800 HydrophobicContact CZ-CG 3.67Å
607I86.8Confident84.6Confident3 Ų339.6 Ų39.62%0.01518%0.184CC..  trans-120.16.5-170.3-46.9-177.2000110V605 A636 V639 L711 W718 F793 A794 F797 Y798V605-I607 HydrophobicContact CG1-CD1 4.11Å; V605-I607 HydrophobicContact CG1-CG1 3.95Å; I607-A636 HydrophobicContact CD1-CB 4.45Å; I607-A636 HydrophobicContact CG1-CB 4.38Å; I607-V639 HydrophobicContact CG2-CB 4.37Å; I607-V639 HydrophobicContact CG2-CG2 3.82Å; I607-V639 VanDerWaalsContact O-CG1 3.28Å; I607-V639 WeakPolarHBondContact O-CG1 3.21Å; I607-L711 WeakPolarHBondContact O-CD1 3.41Å; I607-W718 HydrophobicContact CG2-CZ3 4.27Å; I607-F793 HydrophobicContact CD1-CD1 3.75Å; I607-F793 HydrophobicContact CD1-CE1 3.27Å; I607-F793 HydrophobicContact CD1-CZ 3.91Å; I607-A794 HydrophobicContact CG2-CB 4.21Å; I607-F797 HydrophobicContact CB-CB 4.4Å; I607-F797 HydrophobicContact CD1-CB 3.98Å; I607-F797 HydrophobicContact CG1-CB 4.01Å; I607-F797 PolarHBondContact N-O 3.12Å; I607-Y798 PolarHBondContact N-O 3.1Å
608G88.6Confident84.5Confident0 Ų042.9 Ų42.90%020%0.196CC..SBendtrans-76.5168.6172.300000113.6H596 Y798H596-G608 PolarHBondContact NE2-O 3.15Å; G608-Y798 WeakPolarHBondContact CA-O 3.1Å; G608-Y798 PolarHBondContact N-O 2.76Å
609P93.7Very high84.3Confident0 Ų045.7 Ų45.70%021%0.208CC..PPolyproline II helixtrans-76.2145.7-175.230.5-35.1000113.1S611 T643 P707 L711 Y798P609-S611 VanDerWaalsContact O-CB 3.3Å; P609-S611 WeakPolarHBondContact O-CB 3.21Å; P609-S611 PolarHBondContact O-N 2.77Å; P609-S611 VanDerWaalsContact O-N 3.16Å; P609-S611 PolarHBondContact O-OG 2.85Å; P609-T643 HydrophobicContact CB-CG2 3.99Å; P609-P707 HydrophobicContact CB-CB 3.91Å; P609-P707 WeakPolarHBondContact CB-O 3.28Å; P609-P707 HydrophobicContact CG-CB 3.53Å; P609-P707 WeakPolarHBondContact CG-O 3.39Å; P609-L711 HydrophobicContact CB-CB 4.13Å; P609-L711 HydrophobicContact CG-CB 4.18Å; P609-Y798 VanDerWaalsContact CD-CE2 3.5Å; P609-Y798 HydrophobicContact CG-CE2 4.28Å
610Y94.4Very high84.4Confident0 Ų045.6 Ų45.60%020%0.204CC..SBendtrans-53.2119.7167.4-175.9-96.1000110.4D593 L595 R613 T643 L644 W647 Y705D593-Y610 HydrophobicContact CB-CE2 4.37Å; D593-Y610 WeakPolarHBondContact OD2-CE2 3.49Å; D593-Y610 PolarHBondContact OD2-OH 2.91Å; L595-Y610 HydrophobicContact CD2-CD2 4.04Å; Y610-R613 HydrophobicContact CE1-CB 4.11Å; Y610-R613 HydrophobicContact CE1-CG 4.39Å; Y610-T643 PolarHBondContact N-OG1 3.15Å; Y610-L644 HydrophobicContact CD1-CD1 4Å; Y610-L644 HydrophobicContact CD2-CB 4.34Å; Y610-L644 HydrophobicContact CD2-CD1 4.08Å; Y610-L644 HydrophobicContact CE1-CD1 3.76Å; Y610-L644 HydrophobicContact CE2-CD1 3.85Å; Y610-L644 HydrophobicContact CG-CB 4.17Å; Y610-L644 HydrophobicContact CG-CD1 4.14Å; Y610-W647 HydrophobicContact CD1-CB 3.94Å; Y610-W647 HydrophobicContact CD1-CD2 4.14Å; Y610-W647 AromaticContact CD1-CG 3.81Å; Y610-W647 HydrophobicContact CD1-CG 3.81Å; Y610-W647 HydrophobicContact CE1-CB 4.32Å; Y610-W647 AromaticContact CE1-CD2 3.6Å; Y610-W647 HydrophobicContact CE1-CD2 3.6Å; Y610-W647 AromaticContact CE1-CE2 3.88Å; Y610-W647 AromaticContact CE1-CE3 3.92Å; Y610-W647 HydrophobicContact CE1-CE3 3.92Å; Y610-W647 AromaticContact CE1-CG 3.77Å; Y610-W647 HydrophobicContact CE1-CG 3.77Å; Y610-W647 HydrophobicContact CE1-CZ2 4.45Å; Y610-W647 HydrophobicContact CE1-CZ3 4.48Å; Y610-Y705 VanDerWaalsContact O-CE1 3.28Å; Y610-Y705 WeakPolarHBondContact O-CE1 3.34Å; Y610-Y705 PolarHBondContact O-OH 3.42Å
611S91.7Very high84.8Confident9 Ų942.7 Ų42.76%0.06321%0.209CC..  trans-161.8167.6-162.957.40000113.4L595 P609 R613 L799L595-S611 WeakPolarHBondContact CD2-O 2.84Å; P609-S611 VanDerWaalsContact O-CB 3.3Å; P609-S611 WeakPolarHBondContact O-CB 3.21Å; P609-S611 PolarHBondContact O-N 2.77Å; P609-S611 VanDerWaalsContact O-N 3.16Å; P609-S611 PolarHBondContact O-OG 2.85Å; S611-R613 WeakPolarHBondContact O-CD 3.42Å; S611-R613 PolarHBondContact O-N 2.98Å; S611-R613 PolarHBondContact O-NH1 2.99Å; S611-R613 VanDerWaalsContact O-NH1 3.07Å; S611-L799 WeakPolarHBondContact OG-CD1 3.36Å
612G89.3Confident85.5Confident29 Ų2942.6 Ų42.630%0.29921%0.208SC..SBendtrans76.56.2-174.600000115R572 T573R572-G612 VanDerWaalsContact CA-O 3.29Å; R572-G612 WeakPolarHBondContact CA-O 3.49Å; R572-G612 WeakPolarHBondContact CB-O 3.38Å; T573-G612 PolarHBondContact N-O 3.34Å; T573-G612 VanDerWaalsContact N-O 3.1Å
613R92Very high86.7Confident9 Ų937 Ų373%0.03418%0.182CC..  trans-118.4108.3178.5-71.977.5176.6135.45108.2S570 K571 L591 D593 Y610 S611 L617 W647S570-R613 PolarHBondContact O-NH1 3.06Å; S570-R613 PolarHBondContact O-NH2 2.79Å; K571-R613 PolarHBondContact O-NH1 3.11Å; K571-R613 VanDerWaalsContact O-NH1 3.11Å; L591-R613 HydrophobicContact CD2-CG 4.19Å; D593-R613 IonicContact OD1-CZ 3.44Å; D593-R613 IonicContact OD1-NE 2.66Å; D593-R613 PolarHBondContact OD1-NE 3.46Å; D593-R613 IonicContact OD1-NH2 3.79Å; D593-R613 PolarHBondContact OD1-NH2 3.04Å; D593-R613 IonicContact OD2-CZ 2.74Å; D593-R613 IonicContact OD2-NE 3.78Å; D593-R613 PolarHBondContact OD2-NE 3.1Å; D593-R613 IonicContact OD2-NH2 3.2Å; D593-R613 PolarHBondContact OD2-NH2 2.99Å; Y610-R613 HydrophobicContact CE1-CB 4.11Å; Y610-R613 HydrophobicContact CE1-CG 4.39Å; S611-R613 WeakPolarHBondContact O-CD 3.42Å; S611-R613 PolarHBondContact O-N 2.98Å; S611-R613 PolarHBondContact O-NH1 2.99Å; S611-R613 VanDerWaalsContact O-NH1 3.07Å; R613-L617 HydrophobicContact CB-CD1 3.92Å; R613-L617 HydrophobicContact CG-CD1 4.11Å; R613-W647 HydrophobicContact CB-CZ2 4.31Å; R613-W647 PolarHBondContact O-NE1 2.98Å
614P90.6Very high87.7Confident24 Ų2429.9 Ų29.916%0.15618%0.175CC..  trans-69152.6-177.327.8-33.1000111.4T573 A575 A616 L617T573-P614 VanDerWaalsContact O-CD 3.26Å; T573-P614 WeakPolarHBondContact O-CD 3.39Å; A575-P614 HydrophobicContact CB-CG 4.31Å; P614-A616 PolarHBondContact O-N 3.31Å; P614-A616 VanDerWaalsContact O-N 3.11Å; P614-L617 HydrophobicContact CG-CD2 4.33Å; P614-L617 HydrophobicContact CG-CG 4.13Å; P614-L617 WeakPolarHBondContact O-CG 3.19Å; P614-L617 PolarHBondContact O-N 2.84Å
615L89.8Confident88.8Confident7 Ų725.3 Ų25.34%0.03717%0.165CC..THydrogen-bonded Turntrans-60.7-24.7179.6-64.7176000112.3L617 R618 H619 W647 K650 A651 L654L615-L617 PolarHBondContact O-N 2.82Å; L615-R618 PolarHBondContact O-N 2.81Å; L615-R618 VanDerWaalsContact O-N 3.12Å; L615-H619 VanDerWaalsContact C-ND1 3.34Å; L615-H619 PolarHBondContact O-N 3.24Å; L615-H619 PolarHBondContact O-ND1 2.68Å; L615-W647 HydrophobicContact CD2-CG 4.16Å; L615-K650 HydrophobicContact CD1-CB 4.33Å; L615-K650 HydrophobicContact CD2-CB 4.26Å; L615-A651 HydrophobicContact CB-CB 4.44Å; L615-A651 HydrophobicContact CD2-CB 3.96Å; L615-L654 HydrophobicContact CB-CD1 4.05Å; L615-L654 HydrophobicContact CD1-CD1 3.76Å
616A86.9Confident89.5Confident3 Ų325.7 Ų25.73%0.02517%0.167CC..Hα-helixtrans-54.7-27.7173.500000114.1A575 P614 R618 H619 K620A575-A616 HydrophobicContact CB-CB 3.93Å; P614-A616 PolarHBondContact O-N 3.31Å; P614-A616 VanDerWaalsContact O-N 3.11Å; A616-R618 VanDerWaalsContact C-N 3.26Å; A616-R618 PolarHBondContact O-N 2.87Å; A616-H619 VanDerWaalsContact CA-CE1 3.5Å; A616-H619 WeakPolarHBondContact CA-CE1 3.18Å; A616-H619 PolarHBondContact N-ND1 3.4Å; A616-K620 HydrophobicContact CB-CD 4.23Å; A616-K620 HydrophobicContact CB-CG 4.27Å; A616-K620 WeakPolarHBondContact O-CB 3.36Å; A616-K620 PolarHBondContact O-N 2.85Å; A616-K620 VanDerWaalsContact O-N 3.16Å
617L89.3Confident89.8Confident0 Ų029.2 Ų29.20%019%0.187CC..Hα-helixtrans-59.1-38.3176.3-63-167.9000112.4A575 L578 R613 P614 L615 L622 L623 W647A575-L617 VanDerWaalsContact CA-CD2 3.47Å; A575-L617 HydrophobicContact CB-CD2 3.97Å; L578-L617 HydrophobicContact CB-CD2 4.43Å; L578-L617 HydrophobicContact CD1-CD1 3.9Å; L578-L617 HydrophobicContact CD1-CD2 3.71Å; L578-L617 HydrophobicContact CD1-CG 4.35Å; R613-L617 HydrophobicContact CB-CD1 3.92Å; R613-L617 HydrophobicContact CG-CD1 4.11Å; P614-L617 HydrophobicContact CG-CD2 4.33Å; P614-L617 HydrophobicContact CG-CG 4.13Å; P614-L617 WeakPolarHBondContact O-CG 3.19Å; P614-L617 PolarHBondContact O-N 2.84Å; L615-L617 PolarHBondContact O-N 2.82Å; L617-L622 WeakPolarHBondContact O-CB 2.64Å; L617-L622 PolarHBondContact O-N 2.78Å; L617-L623 HydrophobicContact CB-CD1 3.85Å; L617-L623 HydrophobicContact CB-CG 4.26Å; L617-L623 HydrophobicContact CD1-CD1 4.18Å; L617-L623 PolarHBondContact O-N 3.48Å; L617-L623 VanDerWaalsContact O-N 3.1Å; L617-W647 HydrophobicContact CB-CZ2 4.32Å
618R88.5Confident90.1Very high75 Ų7530.4 Ų30.428%0.28319%0.194SC..Hα-helixtrans-97.2-45.7177.9175.7169.2174.8-164.4-6.7112.4L615 A616 K620 G621 W647 S648 A651 E652L615-R618 PolarHBondContact O-N 2.81Å; L615-R618 VanDerWaalsContact O-N 3.12Å; A616-R618 VanDerWaalsContact C-N 3.26Å; A616-R618 PolarHBondContact O-N 2.87Å; R618-K620 VanDerWaalsContact C-N 3.26Å; R618-K620 PolarHBondContact O-N 3.08Å; R618-G621 PolarHBondContact O-N 3.17Å; R618-W647 HydrophobicContact CB-CH2 3.9Å; R618-W647 HydrophobicContact CB-CZ3 4.36Å; R618-S648 PolarHBondContact NH1-O 3.48Å; R618-S648 PolarHBondContact NH1-OG 3.41Å; R618-A651 HydrophobicContact CB-CB 3.78Å; R618-A651 HydrophobicContact CG-CB 3.91Å; R618-E652 IonicContact CZ-OE2 3.63Å; R618-E652 IonicContact NH1-OE2 2.67Å; R618-E652 VanDerWaalsContact NH2-CD 3.32Å; R618-E652 IonicContact NH2-OE2 3.57Å; R618-E652 PolarHBondContact NH2-OE2 3.15Å
619H83Confident90.3Very high58 Ų5832.2 Ų32.227%0.26920%0.203SC..Hα-helixtrans-69.3-23.2-173.783.6-120.9000113.6L615 A616 L654L615-H619 VanDerWaalsContact C-ND1 3.34Å; L615-H619 PolarHBondContact O-N 3.24Å; L615-H619 PolarHBondContact O-ND1 2.68Å; A616-H619 VanDerWaalsContact CA-CE1 3.5Å; A616-H619 WeakPolarHBondContact CA-CE1 3.18Å; A616-H619 PolarHBondContact N-ND1 3.4Å; H619-L654 HydrophobicContact CB-CB 3.88Å
620K84.6Confident90.2Very high96 Ų9634.1 Ų34.142%0.41722%0.216SC..THydrogen-bonded Turntrans-93.710.3172.6-51.5-165.6-175.8-165.10113.5A616 R618 L622 D666A616-K620 HydrophobicContact CB-CD 4.23Å; A616-K620 HydrophobicContact CB-CG 4.27Å; A616-K620 WeakPolarHBondContact O-CB 3.36Å; A616-K620 PolarHBondContact O-N 2.85Å; A616-K620 VanDerWaalsContact O-N 3.16Å; R618-K620 VanDerWaalsContact C-N 3.26Å; R618-K620 PolarHBondContact O-N 3.08Å; K620-L622 VanDerWaalsContact C-N 3.29Å; K620-L622 HydrophobicContact CB-CG 4.3Å; K620-L622 PolarHBondContact O-N 2.83Å; K620-D666 IonicContact NZ-OD1 3.58Å; K620-D666 PolarHBondContact NZ-OD1 2.84Å; K620-D666 IonicContact NZ-OD2 3.75Å; K620-D666 PolarHBondContact NZ-OD2 2.89Å
621G85.4Confident89.9Confident54 Ų5434.3 Ų34.356%0.55722%0.217SC*.THydrogen-bonded Turntrans66.521.4177.100000115.6R618 L623R618-G621 PolarHBondContact O-N 3.17Å; G621-L623 VanDerWaalsContact C-N 3.28Å; G621-L623 PolarHBondContact O-N 3.43Å
622L88Confident89.5Confident19 Ų1937.1 Ų37.110%0.09924%0.236CC..  trans-75.1-18.3-178.6-59.2174.8000113.1A575 K579 L617 K620A575-L622 HydrophobicContact CB-CD1 3.98Å; A575-L622 WeakPolarHBondContact O-CD1 3.14Å; K579-L622 HydrophobicContact CB-CD1 4.32Å; K579-L622 HydrophobicContact CB-CD2 3.96Å; K579-L622 HydrophobicContact CG-CD2 4.15Å; L617-L622 WeakPolarHBondContact O-CB 2.64Å; L617-L622 PolarHBondContact O-N 2.78Å; K620-L622 VanDerWaalsContact C-N 3.29Å; K620-L622 HydrophobicContact CB-CG 4.3Å; K620-L622 PolarHBondContact O-N 2.83Å
623L91.8Very high89.2Confident19 Ų1939 Ų3910%0.09924%0.237CC..  trans-118.2132.3174.1-68.2179.4000111L578 I589 L591 L617 G621 G625 V626L578-L623 HydrophobicContact CD1-CD1 4.49Å; L578-L623 HydrophobicContact CD1-CD2 3.79Å; L578-L623 HydrophobicContact CD1-CG 4.24Å; L578-L623 HydrophobicContact CD2-CD2 4.4Å; I589-L623 HydrophobicContact CB-CD2 4.16Å; I589-L623 HydrophobicContact CG2-CD2 4.1Å; I589-L623 CarbonylContact O-C 3.58Å; I589-L623 WeakPolarHBondContact O-CA 3.03Å; L591-L623 HydrophobicContact CB-CD1 3.92Å; L591-L623 HydrophobicContact CB-CD2 3.92Å; L591-L623 HydrophobicContact CD2-CD1 4.15Å; L617-L623 HydrophobicContact CB-CD1 3.85Å; L617-L623 HydrophobicContact CB-CG 4.26Å; L617-L623 HydrophobicContact CD1-CD1 4.18Å; L617-L623 PolarHBondContact O-N 3.48Å; L617-L623 VanDerWaalsContact O-N 3.1Å; G621-L623 VanDerWaalsContact C-N 3.28Å; G621-L623 PolarHBondContact O-N 3.43Å; L623-G625 VanDerWaalsContact C-N 3.31Å; L623-V626 HydrophobicContact CD1-CG2 3.83Å
624G89.9Confident88.7Confident62 Ų6246.2 Ų46.264%0.63927%0.269SS*.SBendtrans-76.9-17.416400000113I589I589-G624 PolarHBondContact O-N 3.45Å
625G92.5Very high88.2Confident25 Ų2550.8 Ų50.826%0.25829%0.288SS..EExtended strand (participates in β ladder)trans-177.5172.6176.200000114.1L591 L623L591-G625 PolarHBondContact N-O 3.03Å; L623-G625 VanDerWaalsContact C-N 3.31Å
626V94.5Very high87.6Confident36 Ų3650.9 Ų50.922%0.21829%0.29CS..EExtended strand (participates in β ladder)trans-131.7129.8169.8179.90000108L591 D593 L623 L644 W647L591-V626 HydrophobicContact CB-CG2 4.32Å; L591-V626 CarbonylContact O-C 3.47Å; L591-V626 WeakPolarHBondContact O-CA 3.35Å; D593-V626 HydrophobicContact CB-CG1 4.24Å; L623-V626 HydrophobicContact CD1-CG2 3.83Å; V626-L644 HydrophobicContact CG1-CD1 4.08Å; V626-W647 HydrophobicContact CG2-CH2 4.13Å; V626-W647 HydrophobicContact CG2-CZ3 3.95Å
627L94Very high87.8Confident86 Ų8651 Ų5145%0.4529%0.29SS..EExtended strand (participates in β ladder)trans-120.6103172.8-62.5176.2000107.3L527 V590 L591 W592 D593L527-L627 HydrophobicContact CD1-CD1 3.96Å; V590-L627 HydrophobicContact CG1-CD1 3.91Å; V590-L627 HydrophobicContact CG1-CG 3.92Å; L591-L627 PolarHBondContact O-N 2.79Å; W592-L627 CarbonylContact C-O 3.48Å; W592-L627 WeakPolarHBondContact CA-O 3.32Å; D593-L627 PolarHBondContact N-O 3.26Å
628T93.6Very high87.8Confident27 Ų2753.7 Ų53.717%0.16630%0.301CS..EExtended strand (participates in β ladder)trans-74136.8179.1-164.70000110.3P630 F641 L644T628-P630 WeakPolarHBondContact O-CD 3.31Å; T628-F641 HydrophobicContact CG2-CD1 3.98Å; T628-F641 HydrophobicContact CG2-CE1 3.93Å; T628-L644 HydrophobicContact CG2-CD2 3.85Å
629N92.3Very high88Confident38 Ų3850.1 Ų50.120%0.20329%0.287CS..  trans-94.1111.9168.4-157.43.6000107.9D593 N594 H596 V597D593-N629 PolarHBondContact O-N 2.98Å; N594-N629 WeakPolarHBondContact OD1-CB 3.45Å; N594-N629 PolarHBondContact OD1-ND2 2.81Å; H596-N629 CarbonylContact C-O 3.5Å; V597-N629 HydrophobicContact CB-CB 4.16Å; V597-N629 HydrophobicContact CG2-CB 4.22Å; V597-N629 WeakPolarHBondContact CG2-ND2 3.34Å; V597-N629 PolarHBondContact N-O 2.87Å
630P91.5Very high88.4Confident40 Ų4047.4 Ų47.426%0.2628%0.275SS..  trans-82.1176-171.833-35.4000113.2H596 T628 N637 F641H596-P630 CarbonylContact O-C 3.57Å; T628-P630 WeakPolarHBondContact O-CD 3.31Å; P630-N637 HydrophobicContact CB-CB 4.25Å; P630-N637 VanDerWaalsContact CB-CG 3.47Å; P630-N637 VanDerWaalsContact CB-OD1 3.3Å; P630-N637 WeakPolarHBondContact CB-OD1 3.18Å; P630-F641 HydrophobicContact CB-CE1 4.05Å; P630-F641 HydrophobicContact CB-CZ 4.07Å; P630-F641 HydrophobicContact CG-CZ 4.46Å
631N88.1Confident88.9Confident5 Ų547.4 Ų47.43%0.02728%0.275CS..  trans-64.8157.8162.7-51.8-95.3000110.3H596 N598 F606 E633 N637H596-N631 VanDerWaalsContact O-CG 3.25Å; H596-N631 PolarHBondContact O-N 3.46Å; H596-N631 VanDerWaalsContact O-N 3.17Å; H596-N631 PolarHBondContact O-OD1 2.74Å; N598-N631 VanDerWaalsContact OD1-CA 3.28Å; N598-N631 WeakPolarHBondContact OD1-CA 3.38Å; F606-N631 PolarHBondContact N-OD1 3.24Å; F606-N631 PolarHBondContact O-ND2 2.71Å; N631-E633 PolarHBondContact O-N 2.78Å; N631-N637 WeakPolarHBondContact CA-OD1 3.37Å; N631-N637 VanDerWaalsContact CB-OD1 3.3Å; N631-N637 WeakPolarHBondContact CB-OD1 3.36Å; N631-N637 PolarHBondContact N-OD1 3.42Å; N631-N637 PolarHBondContact ND2-OD1 3.13Å; N631-N637 PolarHBondContact O-ND2 3.11Å
632C84.1Confident89.4Confident68 Ų6846.3 Ų46.346%0.45926%0.255SS..SBendtrans-61.6-30.9170.5-61.50000112.2N598 F634N598-C632 PolarHBondContact OD1-N 2.94Å; N598-C632 PolarHBondContact OD1-SG 3.49Å; C632-F634 PolarHBondContact O-N 3.24Å
633E83.5Confident89.7Confident69 Ų6945.4 Ų45.432%0.32225%0.25SS..SBendtrans-81.197.7-175.5-62.565.8-141.400110.7N598 V605 N631 E635 A636 N637N598-E633 PolarHBondContact ND2-OE2 3.38Å; V605-E633 HydrophobicContact CG2-CG 4.34Å; N631-E633 PolarHBondContact O-N 2.78Å; E633-E635 VanDerWaalsContact C-N 3.32Å; E633-E635 PolarHBondContact O-N 3.12Å; E633-E635 VanDerWaalsContact O-N 3.11Å; E633-A636 HydrophobicContact CB-CB 3.98Å; E633-A636 WeakPolarHBondContact O-CB 3.44Å; E633-A636 PolarHBondContact O-N 3.23Å; E633-N637 PolarHBondContact O-ND2 3.01Å; E633-N637 VanDerWaalsContact O-ND2 3.08Å
634F80.8Confident89.9Confident160 Ų16045.8 Ų45.870%0.70225%0.252SS*.G310 helixtrans-41.3-51.5-175.3179.9-96.7000114.6C632 N637C632-F634 PolarHBondContact O-N 3.24Å; F634-N637 WeakPolarHBondContact O-CB 3.47Å; F634-N637 PolarHBondContact O-N 3.38Å
635E79.4Confident90.1Very high119 Ų11944.5 Ų44.556%0.55624%0.236SC*.G310 helixtrans-67.6-35.4-177.7-68.8-60.9147.700113.7E633 N637 Y638 W718E633-E635 VanDerWaalsContact C-N 3.32Å; E633-E635 PolarHBondContact O-N 3.12Å; E633-E635 VanDerWaalsContact O-N 3.11Å; E635-N637 PolarHBondContact O-N 3.36Å; E635-N637 VanDerWaalsContact O-N 3.16Å; E635-Y638 WeakPolarHBondContact O-CB 3.41Å; E635-Y638 PolarHBondContact O-N 2.76Å; E635-W718 HydrophobicContact CB-CZ2 4.46Å; E635-W718 VanDerWaalsContact O-CZ2 3.23Å; E635-W718 WeakPolarHBondContact O-CZ2 3.48Å
636A78.8Confident90.2Very high10 Ų1044.6 Ų44.68%0.08323%0.23CC..G310 helixtrans-63.1-25-179.600000112.2V605 I607 E633 Y638V605-A636 HydrophobicContact CG1-CB 3.6Å; I607-A636 HydrophobicContact CD1-CB 4.45Å; I607-A636 HydrophobicContact CG1-CB 4.38Å; E633-A636 HydrophobicContact CB-CB 3.98Å; E633-A636 WeakPolarHBondContact O-CB 3.44Å; E633-A636 PolarHBondContact O-N 3.23Å; A636-Y638 PolarHBondContact O-N 3.04Å
637N90Very high90.2Very high5 Ų543 Ų433%0.02722%0.22CC..Hα-helixtrans-72.5-8.3-178.9-62.4-48.9000114.7P630 N631 E633 F634 E635 V639 A640 F641P630-N637 HydrophobicContact CB-CB 4.25Å; P630-N637 VanDerWaalsContact CB-CG 3.47Å; P630-N637 VanDerWaalsContact CB-OD1 3.3Å; P630-N637 WeakPolarHBondContact CB-OD1 3.18Å; N631-N637 WeakPolarHBondContact CA-OD1 3.37Å; N631-N637 VanDerWaalsContact CB-OD1 3.3Å; N631-N637 WeakPolarHBondContact CB-OD1 3.36Å; N631-N637 PolarHBondContact N-OD1 3.42Å; N631-N637 PolarHBondContact ND2-OD1 3.13Å; N631-N637 PolarHBondContact O-ND2 3.11Å; E633-N637 PolarHBondContact O-ND2 3.01Å; E633-N637 VanDerWaalsContact O-ND2 3.08Å; F634-N637 WeakPolarHBondContact O-CB 3.47Å; F634-N637 PolarHBondContact O-N 3.38Å; E635-N637 PolarHBondContact O-N 3.36Å; E635-N637 VanDerWaalsContact O-N 3.16Å; N637-V639 PolarHBondContact O-N 2.88Å; N637-A640 PolarHBondContact O-N 2.86Å; N637-A640 VanDerWaalsContact O-N 3.12Å; N637-F641 HydrophobicContact CB-CD2 4.03Å; N637-F641 HydrophobicContact CB-CE1 4.25Å; N637-F641 HydrophobicContact CB-CE2 3.51Å; N637-F641 HydrophobicContact CB-CZ 3.64Å; N637-F641 WeakPolarHBondContact O-CD2 3.32Å; N637-F641 VanDerWaalsContact O-CG 3.31Å; N637-F641 WeakPolarHBondContact O-CG 3.45Å; N637-F641 PolarHBondContact O-N 3.37Å
638Y90.6Very high90.1Very high57 Ų5740.5 Ų40.522%0.22421%0.209CC..Hα-helixtrans-51.7-44.6176.6-172.4-85.6000112E635 A636 H642 A714 W718 L721E635-Y638 WeakPolarHBondContact O-CB 3.41Å; E635-Y638 PolarHBondContact O-N 2.76Å; A636-Y638 PolarHBondContact O-N 3.04Å; Y638-H642 HydrophobicContact CD1-CB 4.48Å; Y638-H642 HydrophobicContact CE1-CB 4.24Å; Y638-H642 AromaticContact CE1-CD2 3.63Å; Y638-H642 AromaticContact CZ-CD2 3.88Å; Y638-H642 WeakPolarHBondContact O-CB 3.29Å; Y638-H642 PolarHBondContact O-N 2.94Å; Y638-A714 WeakPolarHBondContact CE1-O 3.46Å; Y638-W718 HydrophobicContact CD1-CB 3.47Å; Y638-W718 VanDerWaalsContact CD1-CB 3.47Å; Y638-W718 AromaticContact CD1-CD1 3.72Å; Y638-W718 HydrophobicContact CD1-CD2 4.22Å; Y638-W718 AromaticContact CD1-CG 3.53Å; Y638-W718 HydrophobicContact CD1-CG 3.53Å; Y638-W718 AromaticContact CD2-CD1 3.79Å; Y638-W718 HydrophobicContact CD2-CG 4.42Å; Y638-W718 HydrophobicContact CE1-CB 3.54Å; Y638-W718 HydrophobicContact CE1-CG 4.06Å; Y638-W718 HydrophobicContact CG-CB 4.16Å; Y638-W718 AromaticContact CG-CD1 3.46Å; Y638-W718 VanDerWaalsContact CG-CD1 3.46Å; Y638-W718 HydrophobicContact CG-CD2 4.31Å; Y638-W718 AromaticContact CG-CG 3.74Å; Y638-W718 HydrophobicContact CG-CG 3.74Å; Y638-W718 AromaticContact CG-NE1 3.88Å; Y638-L721 HydrophobicContact CD2-CD1 4.4Å; Y638-L721 HydrophobicContact CE2-CD1 3.38Å; Y638-L721 WeakPolarHBondContact OH-CD1 3.33Å
639V91.2Very high90Very high0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-68.8-42.7179.3-177.90000111.8I607 N637 F641 H642 T643 L711 A714 L715 W718I607-V639 HydrophobicContact CG2-CB 4.37Å; I607-V639 HydrophobicContact CG2-CG2 3.82Å; I607-V639 VanDerWaalsContact O-CG1 3.28Å; I607-V639 WeakPolarHBondContact O-CG1 3.21Å; N637-V639 PolarHBondContact O-N 2.88Å; V639-F641 PolarHBondContact O-N 3.3Å; V639-H642 PolarHBondContact O-N 2.94Å; V639-T643 HydrophobicContact CG1-CG2 3.89Å; V639-T643 WeakPolarHBondContact O-CB 3.32Å; V639-T643 VanDerWaalsContact O-CG2 3.31Å; V639-T643 WeakPolarHBondContact O-CG2 3.44Å; V639-T643 PolarHBondContact O-N 3.28Å; V639-T643 PolarHBondContact O-OG1 3.17Å; V639-L711 HydrophobicContact CG1-CD1 3.56Å; V639-A714 HydrophobicContact CG1-CB 4.24Å; V639-L715 HydrophobicContact CG2-CD2 3.65Å; V639-W718 HydrophobicContact CG2-CE3 4.32Å
640A91.7Very high89.8Confident0 Ų046.3 Ų46.30%023%0.227CC..Hα-helixtrans-57.9-51177.600000110.9H596 N637 T643 L644H596-A640 HydrophobicContact CB-CB 4.24Å; N637-A640 PolarHBondContact O-N 2.86Å; N637-A640 VanDerWaalsContact O-N 3.12Å; A640-T643 PolarHBondContact O-OG1 3.09Å; A640-L644 VanDerWaalsContact O-CB 3.22Å; A640-L644 WeakPolarHBondContact O-CB 3.46Å; A640-L644 PolarHBondContact O-N 3.3Å
641F95.5Very high89.5Confident96 Ų9644.4 Ų44.442%0.42122%0.215SC..Hα-helixtrans-65.9-45179.4-57.6-31.2000112.8T628 P630 N637 V639 A645T628-F641 HydrophobicContact CG2-CD1 3.98Å; T628-F641 HydrophobicContact CG2-CE1 3.93Å; P630-F641 HydrophobicContact CB-CE1 4.05Å; P630-F641 HydrophobicContact CB-CZ 4.07Å; P630-F641 HydrophobicContact CG-CZ 4.46Å; N637-F641 HydrophobicContact CB-CD2 4.03Å; N637-F641 HydrophobicContact CB-CE1 4.25Å; N637-F641 HydrophobicContact CB-CE2 3.51Å; N637-F641 HydrophobicContact CB-CZ 3.64Å; N637-F641 WeakPolarHBondContact O-CD2 3.32Å; N637-F641 VanDerWaalsContact O-CG 3.31Å; N637-F641 WeakPolarHBondContact O-CG 3.45Å; N637-F641 PolarHBondContact O-N 3.37Å; V639-F641 PolarHBondContact O-N 3.3Å; F641-A645 WeakPolarHBondContact O-CB 3.2Å; F641-A645 PolarHBondContact O-N 3.19Å
642H95.5Very high89.3Confident31 Ų3148.9 Ų48.914%0.14424%0.235CC..Hα-helixtrans-66.7-45-178.4-169.7-46.8000111.5Y638 V639 A645 Q646 A714 D717Y638-H642 HydrophobicContact CD1-CB 4.48Å; Y638-H642 HydrophobicContact CE1-CB 4.24Å; Y638-H642 AromaticContact CE1-CD2 3.63Å; Y638-H642 AromaticContact CZ-CD2 3.88Å; Y638-H642 WeakPolarHBondContact O-CB 3.29Å; Y638-H642 PolarHBondContact O-N 2.94Å; V639-H642 PolarHBondContact O-N 2.94Å; H642-A645 CarbonylContact O-C 3.59Å; H642-A645 WeakPolarHBondContact O-CB 3.46Å; H642-A645 PolarHBondContact O-N 2.83Å; H642-Q646 PolarHBondContact CE1-NE2 3.44Å; H642-Q646 PolarHBondContact ND1-NE2 3.25Å; H642-Q646 WeakPolarHBondContact O-CG 3.49Å; H642-Q646 PolarHBondContact O-N 3.37Å; H642-A714 HydrophobicContact CB-CB 3.91Å; H642-D717 IonicContact CD2-OD2 3.16Å; H642-D717 IonicContact CE1-OD2 2.88Å; H642-D717 IonicContact NE2-OD2 2.79Å; H642-D717 PolarHBondContact NE2-OD2 3.2Å
643T95.5Very high89.3Confident0 Ų051.9 Ų51.90%024%0.244CC..Hα-helixtrans-70.4-36.6179.759.60000112.6P609 Y610 V639 A640 A645 Q646 W647 Y705 A710 A714P609-T643 HydrophobicContact CB-CG2 3.99Å; Y610-T643 PolarHBondContact N-OG1 3.15Å; V639-T643 HydrophobicContact CG1-CG2 3.89Å; V639-T643 WeakPolarHBondContact O-CB 3.32Å; V639-T643 VanDerWaalsContact O-CG2 3.31Å; V639-T643 WeakPolarHBondContact O-CG2 3.44Å; V639-T643 PolarHBondContact O-N 3.28Å; V639-T643 PolarHBondContact O-OG1 3.17Å; A640-T643 PolarHBondContact O-OG1 3.09Å; T643-A645 VanDerWaalsContact C-N 3.34Å; T643-A645 PolarHBondContact O-N 3.15Å; T643-Q646 PolarHBondContact O-N 2.85Å; T643-W647 PolarHBondContact O-N 2.8Å; T643-Y705 PolarHBondContact O-OH 3.24Å; T643-A710 HydrophobicContact CG2-CB 3.97Å; T643-A714 HydrophobicContact CG2-CB 3.95Å
644L95.4Very high89Confident27 Ų2749.7 Ų49.714%0.14123%0.234CC..Hα-helixtrans-59.1-43.5167.5175.160.5000111.5Y610 V626 T628 A640 Q646 W647 S648Y610-L644 HydrophobicContact CD1-CD1 4Å; Y610-L644 HydrophobicContact CD2-CB 4.34Å; Y610-L644 HydrophobicContact CD2-CD1 4.08Å; Y610-L644 HydrophobicContact CE1-CD1 3.76Å; Y610-L644 HydrophobicContact CE2-CD1 3.85Å; Y610-L644 HydrophobicContact CG-CB 4.17Å; Y610-L644 HydrophobicContact CG-CD1 4.14Å; V626-L644 HydrophobicContact CG1-CD1 4.08Å; T628-L644 HydrophobicContact CG2-CD2 3.85Å; A640-L644 VanDerWaalsContact O-CB 3.22Å; A640-L644 WeakPolarHBondContact O-CB 3.46Å; A640-L644 PolarHBondContact O-N 3.3Å; L644-Q646 VanDerWaalsContact C-N 3.31Å; L644-Q646 PolarHBondContact O-N 3.01Å; L644-W647 HydrophobicContact CD1-CE3 4.08Å; L644-W647 PolarHBondContact O-N 2.84Å; L644-S648 WeakPolarHBondContact O-CB 3.45Å; L644-S648 PolarHBondContact O-N 2.72Å
645A94.8Very high88.4Confident36 Ų3645.5 Ų45.530%0.29823%0.225SC..Hα-helixtrans-65.9-30.5176.100000112.9F641 H642 T643 R649F641-A645 WeakPolarHBondContact O-CB 3.2Å; F641-A645 PolarHBondContact O-N 3.19Å; H642-A645 CarbonylContact O-C 3.59Å; H642-A645 WeakPolarHBondContact O-CB 3.46Å; H642-A645 PolarHBondContact O-N 2.83Å; T643-A645 VanDerWaalsContact C-N 3.34Å; T643-A645 PolarHBondContact O-N 3.15Å; A645-R649 WeakPolarHBondContact O-CG 3.48Å; A645-R649 PolarHBondContact O-N 3.43Å; A645-R649 PolarHBondContact O-NE 3.04Å; A645-R649 PolarHBondContact O-NH2 3.45Å
646Q94.1Very high87.6Confident26 Ų2645.3 Ų45.312%0.12123%0.231CC..Hα-helixtrans-70.8-46.3171.8-71.5-176.864.200112.4H642 T643 L644 S648 R649 K650 Y705 A710H642-Q646 PolarHBondContact CE1-NE2 3.44Å; H642-Q646 PolarHBondContact ND1-NE2 3.25Å; H642-Q646 WeakPolarHBondContact O-CG 3.49Å; H642-Q646 PolarHBondContact O-N 3.37Å; T643-Q646 PolarHBondContact O-N 2.85Å; L644-Q646 VanDerWaalsContact C-N 3.31Å; L644-Q646 PolarHBondContact O-N 3.01Å; Q646-S648 VanDerWaalsContact C-N 3.33Å; Q646-S648 PolarHBondContact O-N 3.24Å; Q646-R649 PolarHBondContact O-N 3.16Å; Q646-K650 PolarHBondContact O-N 3.41Å; Q646-K650 VanDerWaalsContact O-N 3.11Å; Q646-Y705 HydrophobicContact CB-CE2 4.13Å; Q646-A710 HydrophobicContact CB-CB 4.45Å; Q646-A710 PolarHBondContact NE2-O 3.1Å; Q646-A710 VanDerWaalsContact OE1-CA 3.31Å
647W94.2Very high86.6Confident4 Ų446.9 Ų46.92%0.01524%0.242CC..Hα-helixtrans-56.7-48.5173.8176.293.3000111.1Y610 R613 L615 L617 R618 V626 T643 L644 R649 K650 A651 Y705Y610-W647 HydrophobicContact CD1-CB 3.94Å; Y610-W647 HydrophobicContact CD1-CD2 4.14Å; Y610-W647 AromaticContact CD1-CG 3.81Å; Y610-W647 HydrophobicContact CD1-CG 3.81Å; Y610-W647 HydrophobicContact CE1-CB 4.32Å; Y610-W647 AromaticContact CE1-CD2 3.6Å; Y610-W647 HydrophobicContact CE1-CD2 3.6Å; Y610-W647 AromaticContact CE1-CE2 3.88Å; Y610-W647 AromaticContact CE1-CE3 3.92Å; Y610-W647 HydrophobicContact CE1-CE3 3.92Å; Y610-W647 AromaticContact CE1-CG 3.77Å; Y610-W647 HydrophobicContact CE1-CG 3.77Å; Y610-W647 HydrophobicContact CE1-CZ2 4.45Å; Y610-W647 HydrophobicContact CE1-CZ3 4.48Å; R613-W647 HydrophobicContact CB-CZ2 4.31Å; R613-W647 PolarHBondContact O-NE1 2.98Å; L615-W647 HydrophobicContact CD2-CG 4.16Å; L617-W647 HydrophobicContact CB-CZ2 4.32Å; R618-W647 HydrophobicContact CB-CH2 3.9Å; R618-W647 HydrophobicContact CB-CZ3 4.36Å; V626-W647 HydrophobicContact CG2-CH2 4.13Å; V626-W647 HydrophobicContact CG2-CZ3 3.95Å; T643-W647 PolarHBondContact O-N 2.8Å; L644-W647 HydrophobicContact CD1-CE3 4.08Å; L644-W647 PolarHBondContact O-N 2.84Å; W647-R649 PolarHBondContact O-N 3.49Å; W647-K650 PolarHBondContact O-N 3.11Å; W647-A651 PolarHBondContact O-N 2.79Å; W647-Y705 HydrophobicContact CB-CD2 4.08Å; W647-Y705 HydrophobicContact CB-CE1 4.28Å; W647-Y705 HydrophobicContact CB-CE2 3.8Å; W647-Y705 HydrophobicContact CB-CG 4.46Å; W647-Y705 AromaticContact CD1-CD1 3.82Å; W647-Y705 AromaticContact CD1-CE1 3.93Å
648S92Very high84.6Confident33 Ų3355.9 Ų55.923%0.23128%0.284CS..Hα-helixtrans-49.2-58.1175.3166.50000111.9R618 L644 Q646 K650 A651 E652R618-S648 PolarHBondContact NH1-O 3.48Å; R618-S648 PolarHBondContact NH1-OG 3.41Å; L644-S648 WeakPolarHBondContact O-CB 3.45Å; L644-S648 PolarHBondContact O-N 2.72Å; Q646-S648 VanDerWaalsContact C-N 3.33Å; Q646-S648 PolarHBondContact O-N 3.24Å; S648-K650 PolarHBondContact O-N 3.07Å; S648-A651 PolarHBondContact O-N 2.69Å; S648-E652 PolarHBondContact O-N 3.39Å; S648-E652 VanDerWaalsContact O-N 3.12Å
649R90.6Very high82.5Confident130 Ų13059.9 Ų59.949%0.49131%0.309SS..Hα-helixtrans-65.1-34.2-178.4-73.5172.2-70.6-158.81113.3A645 Q646 W647 E652 M653A645-R649 WeakPolarHBondContact O-CG 3.48Å; A645-R649 PolarHBondContact O-N 3.43Å; A645-R649 PolarHBondContact O-NE 3.04Å; A645-R649 PolarHBondContact O-NH2 3.45Å; Q646-R649 PolarHBondContact O-N 3.16Å; W647-R649 PolarHBondContact O-N 3.49Å; R649-E652 PolarHBondContact O-N 3.3Å; R649-M653 WeakPolarHBondContact O-CG 3.28Å; R649-M653 PolarHBondContact O-N 3.18Å; R649-M653 VanDerWaalsContact O-N 3.1Å
650K88.9Confident80.4Confident57 Ų5765.7 Ų65.725%0.24833%0.334CS..Hα-helixtrans-70.1-38.7176.5-81.9-173.3175-109.70113L615 Q646 W647 S648 E652 M653 L654 A702 V704 Y705L615-K650 HydrophobicContact CD1-CB 4.33Å; L615-K650 HydrophobicContact CD2-CB 4.26Å; Q646-K650 PolarHBondContact O-N 3.41Å; Q646-K650 VanDerWaalsContact O-N 3.11Å; W647-K650 PolarHBondContact O-N 3.11Å; S648-K650 PolarHBondContact O-N 3.07Å; K650-E652 VanDerWaalsContact C-N 3.29Å; K650-E652 PolarHBondContact O-N 2.8Å; K650-M653 PolarHBondContact O-N 2.92Å; K650-L654 PolarHBondContact O-N 2.81Å; K650-A702 PolarHBondContact NZ-O 2.96Å; K650-V704 PolarHBondContact NZ-O 3.4Å; K650-Y705 HydrophobicContact CD-CD2 4.18Å
651A85.9Confident77.7Confident0 Ų074.8 Ų74.80%038%0.377CS..Hα-helixtrans-64.4-37.2173.100000111.6L615 R618 W647 S648 L654 C655L615-A651 HydrophobicContact CB-CB 4.44Å; L615-A651 HydrophobicContact CD2-CB 3.96Å; R618-A651 HydrophobicContact CB-CB 3.78Å; R618-A651 HydrophobicContact CG-CB 3.91Å; W647-A651 PolarHBondContact O-N 2.79Å; S648-A651 PolarHBondContact O-N 2.69Å; A651-L654 WeakPolarHBondContact O-CB 3.36Å; A651-L654 PolarHBondContact O-N 2.69Å; A651-C655 PolarHBondContact O-N 2.86Å; A651-C655 PolarHBondContact O-SG 3.42Å
652E84Confident74.9Confident98 Ų9874.4 Ų74.446%0.45839%0.386SS..Hα-helixtrans-64.6-40.4177-161.9171.7147.600112.9R618 S648 R649 K650 L654 C655 T656R618-E652 IonicContact CZ-OE2 3.63Å; R618-E652 IonicContact NH1-OE2 2.67Å; R618-E652 VanDerWaalsContact NH2-CD 3.32Å; R618-E652 IonicContact NH2-OE2 3.57Å; R618-E652 PolarHBondContact NH2-OE2 3.15Å; S648-E652 PolarHBondContact O-N 3.39Å; S648-E652 VanDerWaalsContact O-N 3.12Å; R649-E652 PolarHBondContact O-N 3.3Å; K650-E652 VanDerWaalsContact C-N 3.29Å; K650-E652 PolarHBondContact O-N 2.8Å; E652-L654 VanDerWaalsContact C-N 3.29Å; E652-L654 PolarHBondContact O-N 2.97Å; E652-C655 WeakPolarHBondContact O-CB 3.29Å; E652-C655 PolarHBondContact O-N 3.16Å; E652-C655 VanDerWaalsContact O-N 3.13Å; E652-T656 PolarHBondContact O-N 3.32Å
653M82.4Confident72Confident132 Ų13281 Ų8165%0.6542%0.423SS*.Hα-helixtrans-59.6-39.5173.8-72.2175.1175.400112.2R649 K650 C655 T656R649-M653 WeakPolarHBondContact O-CG 3.28Å; R649-M653 PolarHBondContact O-N 3.18Å; R649-M653 VanDerWaalsContact O-N 3.1Å; K650-M653 PolarHBondContact O-N 2.92Å; M653-C655 VanDerWaalsContact C-N 3.33Å; M653-C655 PolarHBondContact O-N 3.35Å; M653-T656 PolarHBondContact O-N 2.9Å; M653-T656 VanDerWaalsContact O-N 3.12Å; M653-T656 PolarHBondContact O-OG1 2.95Å
654L77.6Confident69.1Low22 Ų2284.4 Ų84.412%0.11545%0.451CS..Hα-helixtrans-65.5-32.4175.4-72.6171.4000112.9L615 H619 K650 A651 E652 T656 S657 F660L615-L654 HydrophobicContact CB-CD1 4.05Å; L615-L654 HydrophobicContact CD1-CD1 3.76Å; H619-L654 HydrophobicContact CB-CB 3.88Å; K650-L654 PolarHBondContact O-N 2.81Å; A651-L654 WeakPolarHBondContact O-CB 3.36Å; A651-L654 PolarHBondContact O-N 2.69Å; E652-L654 VanDerWaalsContact C-N 3.29Å; E652-L654 PolarHBondContact O-N 2.97Å; L654-T656 PolarHBondContact O-N 3.03Å; L654-S657 PolarHBondContact O-N 3.45Å; L654-S657 PolarHBondContact O-OG 3.48Å; L654-S657 VanDerWaalsContact O-OG 3.1Å; L654-F660 HydrophobicContact CD2-CD2 4.47Å
655C68.2Low66.3Low73 Ų7386.3 Ų86.349%0.49347%0.466SS..Hα-helixtrans-62.6-24.1172.7-56.80000113.1A651 E652 M653A651-C655 PolarHBondContact O-N 2.86Å; A651-C655 PolarHBondContact O-SG 3.42Å; E652-C655 WeakPolarHBondContact O-CB 3.29Å; E652-C655 PolarHBondContact O-N 3.16Å; E652-C655 VanDerWaalsContact O-N 3.13Å; M653-C655 VanDerWaalsContact C-N 3.33Å; M653-C655 PolarHBondContact O-N 3.35Å
656T62.8Low64Low114 Ų11488.2 Ų88.270%0.69947%0.471SS*.THydrogen-bonded Turntrans-96.6-1.4-175.762.80000114.4E652 M653 L654E652-T656 PolarHBondContact O-N 3.32Å; M653-T656 PolarHBondContact O-N 2.9Å; M653-T656 VanDerWaalsContact O-N 3.12Å; M653-T656 PolarHBondContact O-OG1 2.95Å; L654-T656 PolarHBondContact O-N 3.03Å
657S57.4Low61.7Low43 Ų4390 Ų9030%0.30148%0.482SS..  trans-103.1108.5177.355.70000111.5L654 D659L654-S657 PolarHBondContact O-N 3.45Å; L654-S657 PolarHBondContact O-OG 3.48Å; L654-S657 VanDerWaalsContact O-OG 3.1Å; S657-D659 PolarHBondContact O-N 2.68Å; S657-D659 VanDerWaalsContact O-N 3.13Å
658E48.1Very low59.1Low195 Ų19595.2 Ų95.291%0.91151%0.51SS*.THydrogen-bonded Turntrans-67.9-7.7-179.7-59-176.9138.600113.8
659D46.1Very low56.7Low141 Ų14197.4 Ų97.475%0.75452%0.517SS*.THydrogen-bonded Turntrans-950.9-167.2-66.3-49.9000116.2S657 E661S657-D659 PolarHBondContact O-N 2.68Å; S657-D659 VanDerWaalsContact O-N 3.13Å; D659-E661 PolarHBondContact O-N 2.92Å
660F47Very low54.3Low121 Ų12196.7 Ų96.753%0.53152%0.52SS..  trans-96.925.4-166.7-103.2-78.7000117.1L654 S662L654-F660 HydrophobicContact CD2-CD2 4.47Å; F660-S662 PolarHBondContact O-N 3.48Å
661E36.1Very low51.7Low191 Ų19198.7 Ų98.789%0.89353%0.532SS*.  trans-83.775.5169.7-69-158.5141.500113.1D659D659-E661 PolarHBondContact O-N 2.92Å
662S36.6Very low49.2Very low88 Ų88103.9 Ų103.962%0.61556%0.564SS**SBendtrans-172.5139.6151.839.50000117.1F660 A664F660-S662 PolarHBondContact O-N 3.48Å; S662-A664 VanDerWaalsContact C-N 3.3Å; S662-A664 PolarHBondContact O-N 3.1Å
663N34.5Very low46.9Very low170 Ų170102.1 Ų102.191%0.90956%0.558SS**  trans60-3.9144.6-60.1-21.3000121.5S665N663-S665 PolarHBondContact O-N 2.93Å
664A34.6Very low44.4Very low71 Ų7196.3 Ų96.359%0.58753%0.532SS*.  trans-72117.9159.800000108.9S662 D666S662-A664 VanDerWaalsContact C-N 3.3Å; S662-A664 PolarHBondContact O-N 3.1Å; A664-D666 PolarHBondContact O-N 3.35Å
665S37.4Very low42.2Very low67 Ų67100.8 Ų100.847%0.46955%0.554SS.*  trans-68.6121.8176.655.30000110.2N663 D667 N668N663-S665 PolarHBondContact O-N 2.93Å; S665-D667 PolarHBondContact O-N 2.8Å; S665-N668 PolarHBondContact O-N 2.93Å; S665-N668 WeakPolarHBondContact OG-CB 3.02Å; S665-N668 PolarHBondContact OG-ND2 2.83Å
666D45.3Very low40.2Very low76 Ų76102.9 Ų102.941%0.40656%0.561SS.*THydrogen-bonded Turntrans-48.3-27.1-162.8-81.59.8000117.6K620 A664K620-D666 IonicContact NZ-OD1 3.58Å; K620-D666 PolarHBondContact NZ-OD1 2.84Å; K620-D666 IonicContact NZ-OD2 3.75Å; K620-D666 PolarHBondContact NZ-OD2 2.89Å; A664-D666 PolarHBondContact O-N 3.35Å
667D46.6Very low38.6Very low64 Ų64106.9 Ų106.934%0.34257%0.565SS.*THydrogen-bonded Turntrans-99.7-0.7-177.7-56.4-61.8000114.2S665S665-D667 PolarHBondContact O-N 2.8Å
668N39.2Very low37.1Very low114 Ų114113.5 Ų113.561%0.6159%0.591SS**  trans-10617-172.9-76.9-40.8000115.5S665 M670S665-N668 PolarHBondContact O-N 2.93Å; S665-N668 WeakPolarHBondContact OG-CB 3.02Å; S665-N668 PolarHBondContact OG-ND2 2.83Å; N668-M670 PolarHBondContact O-N 2.9Å
669E41.8Very low36.1Very low79 Ų79113 Ų11337%0.36959%0.586SS.*SBendtrans-69.679.7169.9-76.9-154.7117.100111.7
670M39.5Very low35.2Very low115 Ų115112.1 Ų112.157%0.56759%0.59SS**  trans5170.8172.1-66.3-165.3169.100115.9N668 V672 V704N668-M670 PolarHBondContact O-N 2.9Å; M670-V672 HydrophobicContact CB-CG2 4.42Å; M670-V672 PolarHBondContact O-N 3.39Å; M670-V704 HydrophobicContact SD-CG1 4.24Å
671I34.1Very low34.2Very low98 Ų98109.3 Ų109.350%0.50360%0.596SS.*  trans-66.184.6153.7-57171.1000108.5
672V33.2Very low33.7Very low110 Ų110107.5 Ų107.567%0.66759%0.592SS**  trans-12866.9169.3-169.60000108.4M670 G674M670-V672 HydrophobicContact CB-CG2 4.42Å; M670-V672 PolarHBondContact O-N 3.39Å; V672-G674 VanDerWaalsContact C-N 3.26Å; V672-G674 PolarHBondContact O-N 3.45Å
673D36.7Very low33.3Very low61 Ų61111.2 Ų111.233%0.32660%0.604SS.*  trans-60.697.2153.8-73.9-48.6000105.9R572 I675R572-D673 IonicContact CZ-OD2 2.7Å; R572-D673 IonicContact NH2-OD2 2.66Å; R572-D673 PolarHBondContact NH2-OD2 2.92Å; D673-I675 VanDerWaalsContact C-N 3.33Å; D673-I675 PolarHBondContact O-N 2.88Å
674G30.5Very low33Very low10 Ų10109.2 Ų109.210%0.10359%0.593CS.*SBendtrans-77.372.3-150.400000115.8V672 R708V672-G674 VanDerWaalsContact C-N 3.26Å; V672-G674 PolarHBondContact O-N 3.45Å; G674-R708 PolarHBondContact O-NH1 3.46Å; G674-R708 PolarHBondContact O-NH2 3.27Å
675I31Very low32.7Very low115 Ų115115 Ų11559%0.5961%0.608SS**  trans-84.6-36177.2-66.1172.8000111.8D673 Y677D673-I675 VanDerWaalsContact C-N 3.33Å; D673-I675 PolarHBondContact O-N 2.88Å; I675-Y677 PolarHBondContact O-N 2.89Å; I675-Y677 VanDerWaalsContact O-N 3.14Å
676D26.5Very low32.3Very low118 Ų118119.2 Ų119.263%0.63162%0.62SS**  trans-91.474.4-170.5-154.7-15.9000113Q678D676-Q678 PolarHBondContact O-N 3.39Å
677Y27.7Very low31.7Very low197 Ų197121.8 Ų121.877%0.77364%0.64SS**THydrogen-bonded Turntrans-85.529.7177.8-128.6-75.6000113.1I675I675-Y677 PolarHBondContact O-N 2.89Å; I675-Y677 VanDerWaalsContact O-N 3.14Å
678Q26.3Very low31.1Very low182 Ų182123.5 Ų123.585%0.8566%0.657SS**THydrogen-bonded Turntrans-14325.2-169.8-125.9175.238.500116D676D676-Q678 PolarHBondContact O-N 3.39Å
679K26.7Very low30.9Very low186 Ų186122.7 Ų122.781%0.80966%0.656SS**SBendtrans-147.133.3-177.8-114.6158.3-164.3161.60118.8
680S27.5Very low30.6Very low121 Ų121123.5 Ų123.585%0.84667%0.67SS**  trans-138.681.916663.40000111.8
681G25.5Very low30.6Very low63 Ų63126.2 Ų126.265%0.64968%0.681SS**  trans-81.8155.3172.100000112.8
682D25.9Very low30.9Very low152 Ų152127.5 Ų127.581%0.81369%0.689SS**  trans36.184.8156.4-55.7-15.8000118.2
683I28.6Very low31.3Very low167 Ų167125.8 Ų125.886%0.85668%0.676SS**  trans-107.691.8151.5-55.3-178.9000107.6
684N28.5Very low31.2Very low128 Ų128125.6 Ų125.668%0.68468%0.679SS**  trans-60.5141.3176.4-81.5-68.4000111.6H686N684-H686 PolarHBondContact O-N 2.95Å
685E28.2Very low31.6Very low192 Ų192128.9 Ų128.990%0.89770%0.697SS**  trans-68.7102.4176.5-63.1-170.1131.600111.3P687E685-P687 WeakPolarHBondContact O-CD 3.49Å
686H29.8Very low32Very low156 Ų156127.9 Ų127.972%0.72269%0.693SS**  trans-96.6112.8168.2-92.5-65.8000111N684 S688N684-H686 PolarHBondContact O-N 2.95Å; H686-S688 VanDerWaalsContact C-N 3.35Å; H686-S688 PolarHBondContact O-N 3.43Å
687P32.8Very low32.4Very low129 Ų129128.6 Ų128.684%0.83869%0.687SS**  trans-82.172.2-174.733.3-36.5000112.3E685E685-P687 WeakPolarHBondContact O-CD 3.49Å
688S34Very low32.7Very low100 Ų100126.3 Ų126.370%0.69968%0.681SS**  trans-153.758.418066.90000114.9H686H686-S688 VanDerWaalsContact C-N 3.35Å; H686-S688 PolarHBondContact O-N 3.43Å
689V33.4Very low33.4Very low98 Ų98126 Ų12659%0.59467%0.671SS**  trans-136.2145.4170.2-174.50000109.8D693V689-D693 HydrophobicContact CG1-CB 3.81Å
690C37.1Very low34.1Very low96 Ų96122.7 Ų122.765%0.64966%0.659SS**  trans-65.6153.3-177.1-68.60000113.1D692 D693 C694C690-D692 PolarHBondContact O-N 2.84Å; C690-D693 PolarHBondContact O-N 2.97Å; C690-C694 PolarHBondContact O-N 2.9Å
691Q39.1Very low34.8Very low171 Ų171124.4 Ų124.480%0.79965%0.648SS**Hα-helixtrans-64.6-36.2-173.9-72.2-179.3-39.900113.4D693 C694 V695Q691-D693 PolarHBondContact O-N 3.26Å; Q691-C694 VanDerWaalsContact O-CB 3.31Å; Q691-C694 WeakPolarHBondContact O-CB 3.42Å; Q691-C694 PolarHBondContact O-N 3.05Å; Q691-C694 VanDerWaalsContact O-N 3.16Å; Q691-V695 PolarHBondContact O-N 3.47Å
692D41.1Very low35.8Very low125 Ų125124.4 Ų124.467%0.66864%0.642SS**Hα-helixtrans-65.7-38.1-179.3-56.2-55.3000112.8C690 C694 V695 N696C690-D692 PolarHBondContact O-N 2.84Å; D692-C694 PolarHBondContact O-N 3.2Å; D692-V695 PolarHBondContact O-N 3.39Å; D692-V695 VanDerWaalsContact O-N 3.09Å; D692-N696 PolarHBondContact O-N 3.11Å
693D39.8Very low37.4Very low74 Ų74118.3 Ų118.340%0.39661%0.612SS.*Hα-helixtrans-61.9-34.2175.1-122.935000111.6V689 C690 Q691 R697V689-D693 HydrophobicContact CG1-CB 3.81Å; C690-D693 PolarHBondContact O-N 2.97Å; Q691-D693 PolarHBondContact O-N 3.26Å; D693-R697 WeakPolarHBondContact O-CB 3.45Å; D693-R697 VanDerWaalsContact O-CG 3.26Å; D693-R697 WeakPolarHBondContact O-CG 3.27Å; D693-R697 PolarHBondContact O-N 3.41Å; D693-R697 VanDerWaalsContact O-N 3.08Å; D693-R697 IonicContact OD2-CZ 2.71Å; D693-R697 IonicContact OD2-NE 2.69Å; D693-R697 IonicContact OD2-NH2 3.63Å; D693-R697 PolarHBondContact OD2-NH2 3.36Å
694C35.1Very low39.5Very low58 Ų58111.5 Ų111.539%0.39258%0.578SS.*Hα-helixtrans-70.9-34.8175-171.40000111.9C690 Q691 D692 K698C690-C694 PolarHBondContact O-N 2.9Å; Q691-C694 VanDerWaalsContact O-CB 3.31Å; Q691-C694 WeakPolarHBondContact O-CB 3.42Å; Q691-C694 PolarHBondContact O-N 3.05Å; Q691-C694 VanDerWaalsContact O-N 3.16Å; D692-C694 PolarHBondContact O-N 3.2Å; C694-K698 VanDerWaalsContact O-CB 3.28Å; C694-K698 WeakPolarHBondContact O-CB 3.22Å; C694-K698 VanDerWaalsContact O-CG 3.23Å; C694-K698 WeakPolarHBondContact O-CG 3.32Å; C694-K698 PolarHBondContact O-N 3.32Å
695V40.3Very low42.3Very low79 Ų79106.6 Ų106.648%0.47955%0.55SS..Hα-helixtrans-67.9-46.7175.4176.70000111.1Q691 D692 K698 R699Q691-V695 PolarHBondContact O-N 3.47Å; D692-V695 PolarHBondContact O-N 3.39Å; D692-V695 VanDerWaalsContact O-N 3.09Å; V695-K698 PolarHBondContact O-N 3.46Å; V695-R699 PolarHBondContact O-N 3.04Å
696N37.4Very low45.2Very low94 Ų94102.3 Ų102.350%0.50353%0.525SS..Hα-helixtrans-67-40.6179.6-78.6-20000112.6D692 R699 Q700D692-N696 PolarHBondContact O-N 3.11Å; N696-R699 PolarHBondContact O-N 3.25Å; N696-Q700 PolarHBondContact O-N 2.6Å
697R35.3Very low48Very low133 Ų13396.8 Ų96.850%0.50250%0.503SS..Hα-helixtrans-64-39.9172.4-68.3177.2-150.9-146.27.3112D693 R699 Q700 Y701D693-R697 WeakPolarHBondContact O-CB 3.45Å; D693-R697 VanDerWaalsContact O-CG 3.26Å; D693-R697 WeakPolarHBondContact O-CG 3.27Å; D693-R697 PolarHBondContact O-N 3.41Å; D693-R697 VanDerWaalsContact O-N 3.08Å; D693-R697 IonicContact OD2-CZ 2.71Å; D693-R697 IonicContact OD2-NE 2.69Å; D693-R697 IonicContact OD2-NH2 3.63Å; D693-R697 PolarHBondContact OD2-NH2 3.36Å; R697-R699 VanDerWaalsContact C-N 3.33Å; R697-R699 PolarHBondContact O-N 2.86Å; R697-Q700 PolarHBondContact O-N 2.82Å; R697-Y701 VanDerWaalsContact O-CD2 3.31Å; R697-Y701 WeakPolarHBondContact O-CD2 3.18Å; R697-Y701 PolarHBondContact O-N 3.37Å
698K34.8Very low50.6Low149 Ų14994.7 Ų94.765%0.64848%0.479SS*.Hα-helixtrans-63.7-35.3174.8-79174.1177.2177.20112.8C694 V695 A702C694-K698 VanDerWaalsContact O-CB 3.28Å; C694-K698 WeakPolarHBondContact O-CB 3.22Å; C694-K698 VanDerWaalsContact O-CG 3.23Å; C694-K698 WeakPolarHBondContact O-CG 3.32Å; C694-K698 PolarHBondContact O-N 3.32Å; V695-K698 PolarHBondContact O-N 3.46Å; K698-A702 WeakPolarHBondContact O-CB 3.3Å; K698-A702 PolarHBondContact O-N 2.96Å
699R40.5Very low53.3Low174 Ų17495.1 Ų95.166%0.65747%0.47SS*.Hα-helixtrans-63.1-49.9170.5-77.4-179.1167.4-167.4-5.4111.8V695 N696 R697 Y701 A702V695-R699 PolarHBondContact O-N 3.04Å; N696-R699 PolarHBondContact O-N 3.25Å; R697-R699 VanDerWaalsContact C-N 3.33Å; R697-R699 PolarHBondContact O-N 2.86Å; R699-Y701 VanDerWaalsContact C-N 3.31Å; R699-Y701 PolarHBondContact O-N 3.22Å; R699-A702 PolarHBondContact O-N 2.67Å; R699-A702 VanDerWaalsContact O-N 3.14Å
700Q41.7Very low56.1Low118 Ų11890.5 Ų90.555%0.55144%0.442SS*.Hα-helixtrans-61.4-34.7177.1-75.6-177-34.200113.5N696 R697 A702 S703N696-Q700 PolarHBondContact O-N 2.6Å; R697-Q700 PolarHBondContact O-N 2.82Å; Q700-A702 VanDerWaalsContact C-N 3.33Å; Q700-S703 PolarHBondContact O-OG 3.24Å; Q700-S703 VanDerWaalsContact O-OG 3.08Å
701Y41.2Very low58.8Low156 Ų15686.2 Ų86.261%0.61241%0.413SS*.Hα-helixtrans-75.8-19.2177.3-88.7-116.4000113.6R697 R699R697-Y701 VanDerWaalsContact O-CD2 3.31Å; R697-Y701 WeakPolarHBondContact O-CD2 3.18Å; R697-Y701 PolarHBondContact O-N 3.37Å; R699-Y701 VanDerWaalsContact C-N 3.31Å; R699-Y701 PolarHBondContact O-N 3.22Å
702A47.6Very low61.3Low64 Ų6483.3 Ų83.353%0.52939%0.394SS..Hα-helixtrans-81.7-29.4-179.100000113.6K650 K698 R699 Q700K650-A702 PolarHBondContact NZ-O 2.96Å; K698-A702 WeakPolarHBondContact O-CB 3.3Å; K698-A702 PolarHBondContact O-N 2.96Å; R699-A702 PolarHBondContact O-N 2.67Å; R699-A702 VanDerWaalsContact O-N 3.14Å; Q700-A702 VanDerWaalsContact C-N 3.33Å
703S60.4Low63.9Low24 Ų2479.6 Ų79.617%0.16837%0.374CS..Hα-helixtrans-68.6-40.3-175.554.70000113.6Q700 Y705Q700-S703 PolarHBondContact O-OG 3.24Å; Q700-S703 VanDerWaalsContact O-OG 3.08Å; S703-Y705 PolarHBondContact O-N 2.95Å
704V72.6Confident66.5Low24 Ų2476 Ų7615%0.14536%0.355CS..  trans-63.4128-171.1-174.40000112.2K650 M670 R706K650-V704 PolarHBondContact NZ-O 3.4Å; M670-V704 HydrophobicContact SD-CG1 4.24Å; V704-R706 HydrophobicContact CG1-CG 4.24Å
705Y86.6Confident69.1Low24 Ų2473.3 Ų73.39%0.09434%0.336CS..  trans-79.5132.8168.1174.5-101.5000110.2Y610 T643 Q646 W647 K650 S703 P707 A710Y610-Y705 VanDerWaalsContact O-CE1 3.28Å; Y610-Y705 WeakPolarHBondContact O-CE1 3.34Å; Y610-Y705 PolarHBondContact O-OH 3.42Å; T643-Y705 PolarHBondContact O-OH 3.24Å; Q646-Y705 HydrophobicContact CB-CE2 4.13Å; W647-Y705 HydrophobicContact CB-CD2 4.08Å; W647-Y705 HydrophobicContact CB-CE1 4.28Å; W647-Y705 HydrophobicContact CB-CE2 3.8Å; W647-Y705 HydrophobicContact CB-CG 4.46Å; W647-Y705 AromaticContact CD1-CD1 3.82Å; W647-Y705 AromaticContact CD1-CE1 3.93Å; K650-Y705 HydrophobicContact CD-CD2 4.18Å; S703-Y705 PolarHBondContact O-N 2.95Å; Y705-P707 HydrophobicContact CD1-CG 4.38Å; Y705-P707 HydrophobicContact CE1-CB 4.48Å; Y705-P707 HydrophobicContact CE1-CG 3.92Å; Y705-A710 HydrophobicContact CE2-CB 3.61Å
706R88.5Confident71.7Confident102 Ų10276.1 Ų76.139%0.38534%0.338SS..  trans-127.5108.1-176.1-68.9-178-179154.84.2109.1V704 R708 E709 A710V704-R706 HydrophobicContact CG1-CG 4.24Å; R706-R708 PolarHBondContact O-N 3.06Å; R706-E709 HydrophobicContact CB-CB 3.92Å; R706-E709 PolarHBondContact O-N 3.39Å; R706-E709 VanDerWaalsContact O-N 3.11Å; R706-A710 PolarHBondContact O-N 2.79Å
707P89.4Confident74.3Confident40 Ų4073.6 Ų73.626%0.2633%0.325SS..Hα-helixtrans-55.7-43.2-172.6-28.534.4000114.6P609 Y705 A710 L711P609-P707 HydrophobicContact CB-CB 3.91Å; P609-P707 WeakPolarHBondContact CB-O 3.28Å; P609-P707 HydrophobicContact CG-CB 3.53Å; P609-P707 WeakPolarHBondContact CG-O 3.39Å; Y705-P707 HydrophobicContact CD1-CG 4.38Å; Y705-P707 HydrophobicContact CE1-CB 4.48Å; Y705-P707 HydrophobicContact CE1-CG 3.92Å; P707-A710 PolarHBondContact O-N 3.47Å; P707-L711 WeakPolarHBondContact O-CB 3.4Å; P707-L711 PolarHBondContact O-N 3.19Å
708R87.2Confident76.9Confident85 Ų8568.1 Ų68.132%0.32130%0.304SS..Hα-helixtrans-65.5-36.5176.8-84.5-167.1179.6142.79.2114.1G674 R706 L711 R712G674-R708 PolarHBondContact O-NH1 3.46Å; G674-R708 PolarHBondContact O-NH2 3.27Å; R706-R708 PolarHBondContact O-N 3.06Å; R708-L711 WeakPolarHBondContact O-CB 3.08Å; R708-L711 PolarHBondContact O-N 3.31Å; R708-R712 PolarHBondContact O-N 3.19Å
709E89.9Confident79.3Confident109 Ų10962.1 Ų62.151%0.50928%0.279SS..Hα-helixtrans-67-43174.9-174.164.7-163.600109.9R706 L711 R712 I713R706-E709 HydrophobicContact CB-CB 3.92Å; R706-E709 PolarHBondContact O-N 3.39Å; R706-E709 VanDerWaalsContact O-N 3.11Å; E709-L711 VanDerWaalsContact C-N 3.33Å; E709-L711 PolarHBondContact O-N 3.1Å; E709-R712 PolarHBondContact O-N 2.69Å; E709-I713 HydrophobicContact CG-CD1 4.03Å; E709-I713 VanDerWaalsContact O-CG1 3.28Å; E709-I713 WeakPolarHBondContact O-CG1 3.09Å; E709-I713 PolarHBondContact O-N 3.12Å
710A93.1Very high81.4Confident2 Ų255.7 Ų55.72%0.01726%0.264CS..Hα-helixtrans-61.7-40.917600000111.9T643 Q646 Y705 R706 P707 A714T643-A710 HydrophobicContact CG2-CB 3.97Å; Q646-A710 HydrophobicContact CB-CB 4.45Å; Q646-A710 PolarHBondContact NE2-O 3.1Å; Q646-A710 VanDerWaalsContact OE1-CA 3.31Å; Y705-A710 HydrophobicContact CE2-CB 3.61Å; R706-A710 PolarHBondContact O-N 2.79Å; P707-A710 PolarHBondContact O-N 3.47Å; A710-A714 WeakPolarHBondContact O-CB 2.92Å; A710-A714 PolarHBondContact O-N 2.69Å
711L93.3Very high83.2Confident6 Ų653.8 Ų53.83%0.03126%0.257CS..Hα-helixtrans-58.3-54.9171.9178.764.6000111.3I607 P609 V639 P707 R708 E709 I713 A714 L715 A794 Y798I607-L711 WeakPolarHBondContact O-CD1 3.41Å; P609-L711 HydrophobicContact CB-CB 4.13Å; P609-L711 HydrophobicContact CG-CB 4.18Å; V639-L711 HydrophobicContact CG1-CD1 3.56Å; P707-L711 WeakPolarHBondContact O-CB 3.4Å; P707-L711 PolarHBondContact O-N 3.19Å; R708-L711 WeakPolarHBondContact O-CB 3.08Å; R708-L711 PolarHBondContact O-N 3.31Å; E709-L711 VanDerWaalsContact C-N 3.33Å; E709-L711 PolarHBondContact O-N 3.1Å; L711-I713 VanDerWaalsContact C-N 3.28Å; L711-I713 PolarHBondContact O-N 2.85Å; L711-A714 PolarHBondContact O-N 3.02Å; L711-L715 HydrophobicContact CD1-CD1 3.78Å; L711-L715 HydrophobicContact CD1-CD2 4.21Å; L711-L715 HydrophobicContact CD1-CG 3.84Å; L711-L715 HydrophobicContact CD2-CD1 4.36Å; L711-L715 HydrophobicContact CG-CD1 3.74Å; L711-L715 HydrophobicContact CG-CG 4.18Å; L711-L715 WeakPolarHBondContact O-CG 3.38Å; L711-L715 PolarHBondContact O-N 3.12Å; L711-A794 HydrophobicContact CD1-CB 4.03Å; L711-A794 HydrophobicContact CD2-CB 4.19Å; L711-Y798 HydrophobicContact CD2-CD2 4.48Å; L711-Y798 HydrophobicContact CD2-CE2 4.06Å
712R92.7Very high84.8Confident109 Ų10949.8 Ų49.841%0.41124%0.244SC..Hα-helixtrans-59.3-38.4-178.1-174169.3-168.6101.55.5112.4R708 E709 R716 L787 E791R708-R712 PolarHBondContact O-N 3.19Å; E709-R712 PolarHBondContact O-N 2.69Å; R712-R716 VanDerWaalsContact O-CB 3.26Å; R712-R716 WeakPolarHBondContact O-CB 3.46Å; R712-R716 PolarHBondContact O-N 3.34Å; R712-R716 VanDerWaalsContact O-N 3.11Å; R712-L787 HydrophobicContact CG-CD2 4.43Å; R712-E791 WeakPolarHBondContact CD-OE1 3.25Å; R712-E791 VanDerWaalsContact CG-OE1 3.22Å; R712-E791 WeakPolarHBondContact CG-OE1 3.34Å; R712-E791 IonicContact CZ-OE1 2.67Å; R712-E791 IonicContact CZ-OE2 3.68Å; R712-E791 IonicContact NE-OE1 3.68Å; R712-E791 IonicContact NH1-OE1 2.75Å; R712-E791 PolarHBondContact NH1-OE1 3.01Å; R712-E791 IonicContact NH1-OE2 3.38Å; R712-E791 PolarHBondContact NH1-OE2 3.14Å; R712-E791 IonicContact NH2-OE2 3.85Å
713I94Very high86Confident47 Ų4751.4 Ų51.424%0.24124%0.244CC..Hα-helixtrans-65.1-47172.8-65.7166.3000110.7E709 L711 R716 D717E709-I713 HydrophobicContact CG-CD1 4.03Å; E709-I713 VanDerWaalsContact O-CG1 3.28Å; E709-I713 WeakPolarHBondContact O-CG1 3.09Å; E709-I713 PolarHBondContact O-N 3.12Å; L711-I713 VanDerWaalsContact C-N 3.28Å; L711-I713 PolarHBondContact O-N 2.85Å; I713-R716 PolarHBondContact O-N 3.41Å; I713-D717 WeakPolarHBondContact O-CB 3.35Å; I713-D717 PolarHBondContact O-N 2.85Å
714A94.3Very high86.3Confident0 Ų056 Ų560%026%0.263CS..Hα-helixtrans-62.6-46.3179.900000112.3Y638 V639 H642 T643 A710 L711 R716 D717 W718Y638-A714 WeakPolarHBondContact CE1-O 3.46Å; V639-A714 HydrophobicContact CG1-CB 4.24Å; H642-A714 HydrophobicContact CB-CB 3.91Å; T643-A714 HydrophobicContact CG2-CB 3.95Å; A710-A714 WeakPolarHBondContact O-CB 2.92Å; A710-A714 PolarHBondContact O-N 2.69Å; L711-A714 PolarHBondContact O-N 3.02Å; A714-R716 PolarHBondContact O-N 2.79Å; A714-D717 PolarHBondContact O-N 3.02Å; A714-W718 WeakPolarHBondContact O-CB 3.45Å; A714-W718 PolarHBondContact O-N 2.67Å
715L91.6Very high85.6Confident0 Ų058.1 Ų58.10%028%0.282CS..Hα-helixtrans-64.3-38.8178.2-62.7173.5000112.1V639 L711 W718 L719 L787 L790 E791 A794V639-L715 HydrophobicContact CG2-CD2 3.65Å; L711-L715 HydrophobicContact CD1-CD1 3.78Å; L711-L715 HydrophobicContact CD1-CD2 4.21Å; L711-L715 HydrophobicContact CD1-CG 3.84Å; L711-L715 HydrophobicContact CD2-CD1 4.36Å; L711-L715 HydrophobicContact CG-CD1 3.74Å; L711-L715 HydrophobicContact CG-CG 4.18Å; L711-L715 WeakPolarHBondContact O-CG 3.38Å; L711-L715 PolarHBondContact O-N 3.12Å; L715-W718 HydrophobicContact CD2-CE3 4.04Å; L715-W718 HydrophobicContact CD2-CZ3 4.36Å; L715-W718 PolarHBondContact O-N 3.48Å; L715-L719 WeakPolarHBondContact O-CB 3.44Å; L715-L719 PolarHBondContact O-N 3.42Å; L715-L787 HydrophobicContact CB-CD1 3.73Å; L715-L790 HydrophobicContact CB-CB 4.29Å; L715-L790 HydrophobicContact CD2-CB 4.27Å; L715-E791 HydrophobicContact CD1-CB 4.34Å; L715-E791 HydrophobicContact CD1-CG 3.64Å; L715-A794 HydrophobicContact CD1-CB 3.85Å; L715-A794 HydrophobicContact CD2-CB 4.19Å
716R94.1Very high83.7Confident138 Ų13860.1 Ų60.152%0.52131%0.31SS..Hα-helixtrans-62.9-42.8173.9-176.2-155.170.1175.8-1.2112R712 I713 A714 A720 L787R712-R716 VanDerWaalsContact O-CB 3.26Å; R712-R716 WeakPolarHBondContact O-CB 3.46Å; R712-R716 PolarHBondContact O-N 3.34Å; R712-R716 VanDerWaalsContact O-N 3.11Å; I713-R716 PolarHBondContact O-N 3.41Å; A714-R716 PolarHBondContact O-N 2.79Å; R716-A720 PolarHBondContact O-N 3.49Å; R716-L787 HydrophobicContact CB-CD1 4.1Å; R716-L787 HydrophobicContact CB-CD2 4.25Å
717D92.8Very high81.1Confident42 Ų4259.5 Ų59.523%0.22533%0.327CS..Hα-helixtrans-72.6-33.9179.9-66-4.1000111.3H642 I713 A714 A720 L721H642-D717 IonicContact CD2-OD2 3.16Å; H642-D717 IonicContact CE1-OD2 2.88Å; H642-D717 IonicContact NE2-OD2 2.79Å; H642-D717 PolarHBondContact NE2-OD2 3.2Å; I713-D717 WeakPolarHBondContact O-CB 3.35Å; I713-D717 PolarHBondContact O-N 2.85Å; A714-D717 PolarHBondContact O-N 3.02Å; D717-A720 PolarHBondContact O-N 3.26Å; D717-L721 PolarHBondContact O-N 3.47Å
718W89.6Confident78.3Confident17 Ų1761.1 Ų61.16%0.06434%0.339CS..Hα-helixtrans-64.4-47.2172.2-161.923.8000111.3I607 E635 Y638 V639 A714 L715 A720 L721 M722 L790I607-W718 HydrophobicContact CG2-CZ3 4.27Å; E635-W718 HydrophobicContact CB-CZ2 4.46Å; E635-W718 VanDerWaalsContact O-CZ2 3.23Å; E635-W718 WeakPolarHBondContact O-CZ2 3.48Å; Y638-W718 HydrophobicContact CD1-CB 3.47Å; Y638-W718 VanDerWaalsContact CD1-CB 3.47Å; Y638-W718 AromaticContact CD1-CD1 3.72Å; Y638-W718 HydrophobicContact CD1-CD2 4.22Å; Y638-W718 AromaticContact CD1-CG 3.53Å; Y638-W718 HydrophobicContact CD1-CG 3.53Å; Y638-W718 AromaticContact CD2-CD1 3.79Å; Y638-W718 HydrophobicContact CD2-CG 4.42Å; Y638-W718 HydrophobicContact CE1-CB 3.54Å; Y638-W718 HydrophobicContact CE1-CG 4.06Å; Y638-W718 HydrophobicContact CG-CB 4.16Å; Y638-W718 AromaticContact CG-CD1 3.46Å; Y638-W718 VanDerWaalsContact CG-CD1 3.46Å; Y638-W718 HydrophobicContact CG-CD2 4.31Å; Y638-W718 AromaticContact CG-CG 3.74Å; Y638-W718 HydrophobicContact CG-CG 3.74Å; Y638-W718 AromaticContact CG-NE1 3.88Å; V639-W718 HydrophobicContact CG2-CE3 4.32Å; A714-W718 WeakPolarHBondContact O-CB 3.45Å; A714-W718 PolarHBondContact O-N 2.67Å; L715-W718 HydrophobicContact CD2-CE3 4.04Å; L715-W718 HydrophobicContact CD2-CZ3 4.36Å; L715-W718 PolarHBondContact O-N 3.48Å; W718-A720 VanDerWaalsContact C-N 3.29Å; W718-A720 PolarHBondContact O-N 2.84Å; W718-L721 WeakPolarHBondContact O-CA 3.31Å; W718-L721 WeakPolarHBondContact O-CB 3.34Å; W718-L721 PolarHBondContact O-N 3.05Å; W718-M722 HydrophobicContact CD2-CE 3.5Å; W718-M722 HydrophobicContact CE3-CE 3.88Å; W718-M722 HydrophobicContact CG-CE 3.97Å; W718-M722 HydrophobicContact CH2-CE 4.08Å; W718-M722 HydrophobicContact CZ2-CE 3.71Å; W718-M722 HydrophobicContact CZ3-CE 4.15Å; W718-M722 WeakPolarHBondContact O-CG 3.43Å; W718-M722 PolarHBondContact O-N 2.85Å; W718-L790 HydrophobicContact CE3-CD2 4.37Å; W718-L790 HydrophobicContact CZ3-CD2 4.29Å
719L84.4Confident75.5Confident23 Ų2366.4 Ų66.412%0.1237%0.365CS..Hα-helixtrans-57.2-42.7174.1178.856.8000111.9L715 L721 M722 L723 V785 L787 L790L715-L719 WeakPolarHBondContact O-CB 3.44Å; L715-L719 PolarHBondContact O-N 3.42Å; L719-L721 PolarHBondContact O-N 2.92Å; L719-M722 PolarHBondContact O-N 2.83Å; L719-L723 HydrophobicContact CD1-CD1 3.99Å; L719-L723 HydrophobicContact CD1-CG 4.01Å; L719-L723 HydrophobicContact CG-CD1 3.95Å; L719-L723 HydrophobicContact CG-CG 4.42Å; L719-L723 WeakPolarHBondContact O-CB 3.28Å; L719-L723 VanDerWaalsContact O-CG 3.29Å; L719-L723 WeakPolarHBondContact O-CG 3.33Å; L719-L723 PolarHBondContact O-N 3.44Å; L719-V785 HydrophobicContact CD1-CG1 4.48Å; L719-V785 WeakPolarHBondContact CD1-O 3.37Å; L719-L787 HydrophobicContact CD2-CB 4.16Å; L719-L790 HydrophobicContact CB-CD1 3.77Å; L719-L790 HydrophobicContact CD1-CD1 4.4Å
720A84.5Confident72.5Confident40 Ų4067.4 Ų67.433%0.33138%0.38SS..Hα-helixtrans-61-32.6176.400000112.4R716 D717 W718 Q724R716-A720 PolarHBondContact O-N 3.49Å; D717-A720 PolarHBondContact O-N 3.26Å; W718-A720 VanDerWaalsContact C-N 3.29Å; W718-A720 PolarHBondContact O-N 2.84Å; A720-Q724 VanDerWaalsContact O-CG 3.23Å; A720-Q724 WeakPolarHBondContact O-CG 3.44Å; A720-Q724 PolarHBondContact O-N 3.19Å; A720-Q724 PolarHBondContact O-NE2 2.97Å
721L80.3Confident69.5Low78 Ų7872.5 Ų72.541%0.40842%0.416SS..Hα-helixtrans-76.7-41.7173.6-68.2171.5000112.6Y638 D717 W718 L719 L723 Q724 A725Y638-L721 HydrophobicContact CD2-CD1 4.4Å; Y638-L721 HydrophobicContact CE2-CD1 3.38Å; Y638-L721 WeakPolarHBondContact OH-CD1 3.33Å; D717-L721 PolarHBondContact O-N 3.47Å; W718-L721 WeakPolarHBondContact O-CA 3.31Å; W718-L721 WeakPolarHBondContact O-CB 3.34Å; W718-L721 PolarHBondContact O-N 3.05Å; L719-L721 PolarHBondContact O-N 2.92Å; L721-L723 VanDerWaalsContact C-N 3.29Å; L721-L723 PolarHBondContact O-N 3.11Å; L721-Q724 PolarHBondContact O-N 3.19Å; L721-Q724 VanDerWaalsContact O-N 3.13Å; L721-A725 WeakPolarHBondContact O-CB 3.37Å; L721-A725 PolarHBondContact O-N 3.47Å
722M74.5Confident66.2Low71 Ų7178.1 Ų78.135%0.3545%0.451SS..Hα-helixtrans-55.5-45.6173.4-67.6-178.9-176.500111.4W718 L719 A725 G726 L790W718-M722 HydrophobicContact CD2-CE 3.5Å; W718-M722 HydrophobicContact CE3-CE 3.88Å; W718-M722 HydrophobicContact CG-CE 3.97Å; W718-M722 HydrophobicContact CH2-CE 4.08Å; W718-M722 HydrophobicContact CZ2-CE 3.71Å; W718-M722 HydrophobicContact CZ3-CE 4.15Å; W718-M722 WeakPolarHBondContact O-CG 3.43Å; W718-M722 PolarHBondContact O-N 2.85Å; L719-M722 PolarHBondContact O-N 2.83Å; M722-A725 PolarHBondContact O-N 3.43Å; M722-G726 PolarHBondContact O-N 2.85Å; M722-L790 HydrophobicContact CE-CD2 4.13Å; M722-L790 HydrophobicContact SD-CD1 4.47Å
723L71.5Confident63Low98 Ų9876.7 Ų76.751%0.51346%0.462SS..Hα-helixtrans-67.2-34.1178-67171000112.4L719 L721 A727L719-L723 HydrophobicContact CD1-CD1 3.99Å; L719-L723 HydrophobicContact CD1-CG 4.01Å; L719-L723 HydrophobicContact CG-CD1 3.95Å; L719-L723 HydrophobicContact CG-CG 4.42Å; L719-L723 WeakPolarHBondContact O-CB 3.28Å; L719-L723 VanDerWaalsContact O-CG 3.29Å; L719-L723 WeakPolarHBondContact O-CG 3.33Å; L719-L723 PolarHBondContact O-N 3.44Å; L721-L723 VanDerWaalsContact C-N 3.29Å; L721-L723 PolarHBondContact O-N 3.11Å; L723-A727 WeakPolarHBondContact O-CB 3.39Å; L723-A727 PolarHBondContact O-N 2.54Å
724Q67.9Low59.9Low122 Ų12282.6 Ų82.657%0.5749%0.492SS*.Hα-helixtrans-70.7-39.4173.9-77.7167.663.800112.5A720 L721 A727 S728A720-Q724 VanDerWaalsContact O-CG 3.23Å; A720-Q724 WeakPolarHBondContact O-CG 3.44Å; A720-Q724 PolarHBondContact O-N 3.19Å; A720-Q724 PolarHBondContact O-NE2 2.97Å; L721-Q724 PolarHBondContact O-N 3.19Å; L721-Q724 VanDerWaalsContact O-N 3.13Å; Q724-A727 PolarHBondContact O-N 2.93Å; Q724-S728 WeakPolarHBondContact O-CB 3.46Å; Q724-S728 PolarHBondContact O-N 3.3Å; Q724-S728 VanDerWaalsContact O-N 3.17Å; Q724-S728 PolarHBondContact O-OG 3.02Å
725A58.6Low56.6Low67 Ų6786 Ų8655%0.55453%0.527SS*.Hα-helixtrans-64.4-43.6174.300000111.3L721 M722 A727 S728L721-A725 WeakPolarHBondContact O-CB 3.37Å; L721-A725 PolarHBondContact O-N 3.47Å; M722-A725 PolarHBondContact O-N 3.43Å; A725-A727 VanDerWaalsContact C-N 3.32Å; A725-A727 PolarHBondContact O-N 2.96Å; A725-S728 PolarHBondContact O-N 3.29Å; A725-S728 PolarHBondContact O-OG 2.91Å
726G45.5Very low53.5Low66 Ų6692.4 Ų92.468%0.6857%0.567SS**Hα-helixtrans-65.9-29.5174.200000114.3M722M722-G726 PolarHBondContact O-N 2.85Å
727A34.3Very low50.2Low90 Ų9091.6 Ų91.674%0.74458%0.58SS**Hα-helixtrans-85.5-10.3179.800000114.6L723 Q724 A725L723-A727 WeakPolarHBondContact O-CB 3.39Å; L723-A727 PolarHBondContact O-N 2.54Å; Q724-A727 PolarHBondContact O-N 2.93Å; A725-A727 VanDerWaalsContact C-N 3.32Å; A725-A727 PolarHBondContact O-N 2.96Å
728S30.4Very low47.1Very low74 Ų7494.9 Ų94.952%0.51760%0.601SS.*SBendtrans-104.2121.7-176.7450000112Q724 A725Q724-S728 WeakPolarHBondContact O-CB 3.46Å; Q724-S728 PolarHBondContact O-N 3.3Å; Q724-S728 VanDerWaalsContact O-N 3.17Å; Q724-S728 PolarHBondContact O-OG 3.02Å; A725-S728 PolarHBondContact O-N 3.29Å; A725-S728 PolarHBondContact O-OG 2.91Å
729K27.8Very low44.2Very low195 Ų19599.6 Ų99.685%0.84863%0.634SS**  trans-60137.7164-75.4-172.4174.4-1740108.5S731K729-S731 PolarHBondContact O-N 3.23Å
730P28Very low41.7Very low130 Ų130106.3 Ų106.384%0.84467%0.667SS**  trans-62.2107.8-175.924-33.7000110.8
731S28.6Very low39.1Very low110 Ų110111.2 Ų111.277%0.76969%0.688SS**  trans-81.2121.7174.2-177.10000109.2K729 A733K729-S731 PolarHBondContact O-N 3.23Å; S731-A733 PolarHBondContact O-N 3.29Å
732T25.6Very low36.6Very low124 Ų124113.1 Ų113.176%0.76170%0.702SS**  trans-72.985.4-177.151.60000112.2
733A25.3Very low34.6Very low78 Ų78114.2 Ų114.265%0.64571%0.71SS**  trans-164.7164.1165.700000112.7S731S731-A733 PolarHBondContact O-N 3.29Å
734I28.4Very low32.7Very low171 Ų171115.7 Ų115.788%0.87772%0.718SS**  trans72.8106.3172.4-49.1172.7000113.1
735G25.6Very low30.9Very low71 Ų71115.9 Ų115.973%0.73272%0.722SS**PPolyproline II helixtrans-77.8144.8-179.100000113.3
736T25.2Very low29.6Very low135 Ų135121.6 Ų121.683%0.82874%0.738SS**PPolyproline II helixtrans-62.5136.8164.130.60000110.3T738T736-T738 PolarHBondContact O-N 2.97Å
737P26.4Very low28.9Very low122 Ų122123.8 Ų123.879%0.79274%0.738SS**PPolyproline II helixtrans-65.9124.8167.2-14.128.6000108.9
738T27.2Very low28.6Very low111 Ų111123.5 Ų123.568%0.68174%0.744SS**PPolyproline II helixtrans-64142.2163.735.60000109.4T736 M740T736-T738 PolarHBondContact O-N 2.97Å; T738-M740 PolarHBondContact O-N 3.3Å
739P28.9Very low28.5Very low116 Ų116128.1 Ų128.175%0.75376%0.757SS**PPolyproline II helixtrans-51.7136.5156.5-20.432.8000108.2D741P739-D741 PolarHBondContact O-N 2.65Å
740M30.6Very low28.7Very low163 Ų163126.9 Ų126.980%0.80376%0.76SS**  trans-66.3109.7-176.4-75.2-162.9-58.800110.9T738 T742T738-M740 PolarHBondContact O-N 3.3Å; M740-T742 PolarHBondContact O-N 2.66Å
741D29.8Very low28.6Very low144 Ų144129.1 Ų129.177%0.7776%0.759SS**  trans-55.1103.2162.4-70.7-58.9000109.1P739 D743P739-D741 PolarHBondContact O-N 2.65Å; D741-D743 PolarHBondContact O-N 3.01Å; D741-D743 VanDerWaalsContact O-N 3.09Å
742T29.1Very low28.6Very low117 Ų117128.9 Ų128.972%0.71876%0.763SS**  trans-87.361.2175.448.30000110.9M740M740-T742 PolarHBondContact O-N 2.66Å
743D31.8Very low28.6Very low94 Ų94128 Ų12850%0.50376%0.758SS.*  trans-153.3155.8165-109.9-25.5000111.9R449 D741R449-D743 VanDerWaalsContact CD-OD2 3.23Å; R449-D743 WeakPolarHBondContact CD-OD2 3.32Å; R449-D743 IonicContact CZ-OD2 2.65Å; R449-D743 IonicContact NE-OD2 2.75Å; R449-D743 VanDerWaalsContact NH1-CG 3.26Å; R449-D743 IonicContact NH1-OD1 3.52Å; R449-D743 IonicContact NH1-OD2 3.46Å; R449-D743 PolarHBondContact NH1-OD2 3.27Å; D741-D743 PolarHBondContact O-N 3.01Å; D741-D743 VanDerWaalsContact O-N 3.09Å
744N30.8Very low28.6Very low130 Ų130131.3 Ų131.370%0.69577%0.77SS**  trans66.575.3176.9-44.3-36.8000116.3
745L31Very low28.4Very low125 Ų125130.2 Ų130.265%0.65476%0.761SS**  trans-126.360.5151-127.4176000111T747L745-T747 WeakPolarHBondContact CD2-OG1 3.44Å; L745-T747 PolarHBondContact O-N 3.16Å
746E30.6Very low28.5Very low188 Ų188134.2 Ų134.288%0.87976%0.764SS**  trans-68118.5160.2-70.5-163.6136.900109.3
747T31.4Very low28.5Very low111 Ų111136 Ų13668%0.68176%0.763SS**  trans-161.268.8155.4-0.70000111.2L745 Q749L745-T747 WeakPolarHBondContact CD2-OG1 3.44Å; L745-T747 PolarHBondContact O-N 3.16Å; T747-Q749 PolarHBondContact O-N 3.33Å
748G28.9Very low28.6Very low84 Ų84136.1 Ų136.187%0.86677%0.767SS**  trans-71.3102.9157.300000108.8
749Q28.3Very low28.5Very low172 Ų172136.5 Ų136.580%0.80477%0.769SS**  trans-64.8136.4-179-63.6173.5-67.700111.5T747T747-Q749 PolarHBondContact O-N 3.33Å
750N30.2Very low28.5Very low168 Ų168137.1 Ų137.190%0.89877%0.773SS**  trans-151.7136.5146.2-109.1-31000109.4
751E27.6Very low28.5Very low178 Ų178134.1 Ų134.183%0.83277%0.768SS**  trans-93.9131.5-166.1-59.7171.6119.800112.1
752A28.5Very low28.3Very low104 Ų104134.9 Ų134.986%0.8677%0.772SS**  trans-154.768.6167.200000110.1
753T24.2Very low28.1Very low107 Ų107135 Ų13566%0.65677%0.773SS**  trans-75127.9-165.3-49.80000115Q755T753-Q755 HydrophobicContact CG2-CG 3.69Å
754V26.2Very low27.7Very low147 Ų147136 Ų13689%0.89178%0.782SS**  trans-136.9141145.8-176.20000107.6
755Q24.4Very low27.4Very low148 Ų148137 Ų13769%0.69278%0.784SS**  trans-113.4-168.8-163.4-56.6176.7-87.300114T753T753-Q755 HydrophobicContact CG2-CG 3.69Å
756I28Very low27.2Very low154 Ų154137.8 Ų137.879%0.7979%0.788SS**  trans99.280.1168.5-53.9162.5000111.8
757E23.8Very low26.9Very low174 Ų174138 Ų13881%0.81378%0.781SS**  80107.769.7-71.3-170.4158.400115.3
758S28.5Very low26.6Very low123 Ų123140.2 Ų140.286%0.8679%0.789SS**  trans-159.2130.8140.962.50000110.2
759T26.3Very low26.4Very low120 Ų120142.6 Ų142.674%0.73678%0.782SS**PPolyproline II helixtrans-75.9149.5-171.549.20000114.8
760P29.4Very low26.4Very low128 Ų128142.2 Ų142.283%0.83179%0.786SS**PPolyproline II helixtrans-71.7131.2156.731.6-31.7000110.1
761S28.8Very low26.3Very low101 Ų101140.1 Ų140.171%0.70678%0.784SS**PPolyproline II helixtrans-81.1139.8-172.9-59.10000113.6V763S761-V763 PolarHBondContact O-N 3.07Å
762N25.7Very low26.3Very low159 Ų159137.4 Ų137.485%0.8579%0.785SS**PPolyproline II helixtrans-63.6120165.6-63.7-51.7000110.3
763V26.1Very low26.4Very low121 Ų121141.8 Ų141.873%0.73379%0.787SS**  trans-101.291.4169.7-177.80000109.1S761 M765S761-V763 PolarHBondContact O-N 3.07Å; V763-M765 HydrophobicContact CG1-CG 4.47Å; V763-M765 HydrophobicContact CG1-SD 4.3Å; V763-M765 PolarHBondContact O-N 3.27Å
764V23.8Very low26.6Very low113 Ų113142.9 Ų142.969%0.68579%0.794SS**  trans-80.5110168.6178.70000107.9I766V764-I766 HydrophobicContact CG1-CG1 4.15Å; V764-I766 PolarHBondContact O-N 3.19Å; V764-I766 VanDerWaalsContact O-N 3.08Å
765M24.8Very low26.7Very low151 Ų151141.8 Ų141.874%0.74479%0.79SS**  trans-74.797172.7-74.4-63.1-73.600109.9V763V763-M765 HydrophobicContact CG1-CG 4.47Å; V763-M765 HydrophobicContact CG1-SD 4.3Å; V763-M765 PolarHBondContact O-N 3.27Å
766I25.3Very low26.9Very low143 Ų143143 Ų14373%0.73380%0.799SS**  trans-76.4124.3174.2-60.5174.7000108.6V764 D768V764-I766 HydrophobicContact CG1-CG1 4.15Å; V764-I766 PolarHBondContact O-N 3.19Å; V764-I766 VanDerWaalsContact O-N 3.08Å; I766-D768 PolarHBondContact O-N 3.27Å
767Y23.7Very low26.8Very low191 Ų191141.3 Ų141.375%0.74980%0.802SS**  trans-79.9102.7172.9-73.5-86.3000110.7N769Y767-N769 PolarHBondContact O-N 2.92Å
768D26.5Very low27Very low158 Ų158136.2 Ų136.285%0.84580%0.796SS**  trans-79.5103.5176.4-135.2-15.4000110.5I766 N770I766-D768 PolarHBondContact O-N 3.27Å; D768-N770 PolarHBondContact O-N 3.4Å
769N25.1Very low26.9Very low134 Ų134138.2 Ų138.272%0.71780%0.797SS**  trans-83.2102.3174.8-73.7-86.3000109.1Y767Y767-N769 PolarHBondContact O-N 2.92Å
770N26.5Very low27Very low165 Ų165137.7 Ų137.788%0.88279%0.793SS**  trans-176.993149.7-94.5-39.7000113.9D768D768-N770 PolarHBondContact O-N 3.4Å
771S29Very low27Very low124 Ų124137.6 Ų137.687%0.86779%0.786SS**  trans-153.5108.5150.760.70000109.8
772S26.8Very low27.4Very low120 Ų120137.7 Ų137.784%0.83978%0.782SS**  trans-86.7125.4-176.955.50000112.2
773E31.5Very low28Very low196 Ų196133.8 Ų133.892%0.91676%0.764SS**  trans-143152.5154.8-120167.1-138.600110.5
774T29Very low29.3Very low131 Ų131131.1 Ų131.180%0.80476%0.755SS**  trans-92.9152.2-156.1410000114.7
775P27.8Very low31.2Very low124 Ų124128.4 Ų128.481%0.80574%0.738SS**  trans-77147.4-167.531.4-36.9000113.9
776I27.8Very low33.5Very low172 Ų172123.8 Ų123.888%0.88272%0.719SS**  trans-107.8125.2162.4-62.3179.1000107.7
777S26.8Very low36.1Very low120 Ų120118.6 Ų118.684%0.83969%0.692SS**  trans-81.3133.7-177.653.70000112.6
778G27.4Very low38.5Very low67 Ų67116.1 Ų116.169%0.69169%0.687SS**  trans-164.9117.8166.100000110.3V780G778-V780 PolarHBondContact O-N 3.11Å
779D27.3Very low40.7Very low165 Ų165111.6 Ų111.688%0.88266%0.663SS**  trans-66.8128.5-179.9-71.4-57.4000111.3
780V28.1Very low43.1Very low109 Ų109105.8 Ų105.866%0.66163%0.632SS**  trans-119.9104165.4-178.10000106.7G778 T782G778-V780 PolarHBondContact O-N 3.11Å; V780-T782 PolarHBondContact O-N 2.86Å; V780-T782 VanDerWaalsContact O-N 3.1Å
781N29.2Very low45.5Very low125 Ų12599.8 Ų99.867%0.66860%0.599SS**  trans-64.7109.8176.5-73.8-30.8000109.3G418G418-N781 WeakPolarHBondContact CA-O 3.27Å
782T37Very low47.5Very low103 Ų10399.3 Ų99.363%0.63258%0.584SS**  trans-69.6130.2162.745.40000108.8V780 A784V780-T782 PolarHBondContact O-N 2.86Å; V780-T782 VanDerWaalsContact O-N 3.1Å; T782-A784 PolarHBondContact O-N 2.79Å; T782-A784 VanDerWaalsContact O-N 3.09Å
783V39Very low49.6Very low77 Ų7797.7 Ų97.747%0.46756%0.562SS.*  trans-77.9100.1172168.40000106.3G418 V785G418-V783 VanDerWaalsContact N-CG2 3.34Å; V783-V785 PolarHBondContact O-N 3.48Å
784A53.6Low51.7Low66 Ų6688.4 Ų88.455%0.54552%0.519SS..PPolyproline II helixtrans-65.4116.2175.900000109.1T782 T786T782-A784 PolarHBondContact O-N 2.79Å; T782-A784 VanDerWaalsContact O-N 3.09Å; A784-T786 PolarHBondContact O-N 3.28Å
785V62.1Low53.8Low56 Ų5683.8 Ų83.834%0.33949%0.489SS..PPolyproline II helixtrans-51.9126.9172.5178.20000108.9L719 V783 D789 L790L719-V785 HydrophobicContact CD1-CG1 4.48Å; L719-V785 WeakPolarHBondContact CD1-O 3.37Å; V783-V785 PolarHBondContact O-N 3.48Å; V785-D789 HydrophobicContact CG1-CB 4.3Å; V785-L790 HydrophobicContact CG1-CD1 4.46Å; V785-L790 HydrophobicContact CG1-CD2 4.01Å; V785-L790 HydrophobicContact CG1-CG 3.89Å
786T74.2Confident55.6Low54 Ų5481 Ų8133%0.33147%0.468SS..PPolyproline II helixtrans-97.2170.9179.471.10000111.5A784 E788 D789 L790A784-T786 PolarHBondContact O-N 3.28Å; T786-E788 PolarHBondContact O-N 3.13Å; T786-E788 PolarHBondContact OG1-N 3.38Å; T786-D789 VanDerWaalsContact CB-OD2 3.3Å; T786-D789 WeakPolarHBondContact CB-OD2 3.23Å; T786-D789 WeakPolarHBondContact CG2-OD2 3.22Å; T786-D789 PolarHBondContact N-OD2 3.41Å; T786-D789 VanDerWaalsContact OG1-CG 3.23Å; T786-D789 PolarHBondContact OG1-N 3.49Å; T786-D789 PolarHBondContact OG1-OD2 3.29Å; T786-L790 PolarHBondContact O-N 3.23Å
787L79.7Confident57.8Low34 Ų3476.6 Ų76.618%0.17844%0.442CS..Hα-helixtrans-64.9-32.1169.6179.357.8000111.2R712 L715 R716 L719 L790 E791R712-L787 HydrophobicContact CG-CD2 4.43Å; L715-L787 HydrophobicContact CB-CD1 3.73Å; R716-L787 HydrophobicContact CB-CD1 4.1Å; R716-L787 HydrophobicContact CB-CD2 4.25Å; L719-L787 HydrophobicContact CD2-CB 4.16Å; L787-L790 PolarHBondContact O-N 3.35Å; L787-E791 HydrophobicContact CD1-CG 4.38Å; L787-E791 HydrophobicContact CG-CG 4.49Å; L787-E791 WeakPolarHBondContact O-CB 3.45Å; L787-E791 WeakPolarHBondContact O-CG 3.3Å; L787-E791 PolarHBondContact O-N 3.41Å
788E73.7Confident60.3Low138 Ų13871.5 Ų71.565%0.64540%0.404SS*.Hα-helixtrans-72.3-34.8-178.4-72.4148.3-169.800111.4T786 E791 M792T786-E788 PolarHBondContact O-N 3.13Å; T786-E788 PolarHBondContact OG1-N 3.38Å; E788-E791 PolarHBondContact O-N 2.96Å; E788-M792 WeakPolarHBondContact O-CB 3.5Å; E788-M792 PolarHBondContact O-N 3.1Å
789D72.4Confident62.7Low64 Ų6468.7 Ų68.734%0.34237%0.373SS..Hα-helixtrans-63.4-44.2170-60.8-60.1000111.7V785 T786 M792 F793V785-D789 HydrophobicContact CG1-CB 4.3Å; T786-D789 VanDerWaalsContact CB-OD2 3.3Å; T786-D789 WeakPolarHBondContact CB-OD2 3.23Å; T786-D789 WeakPolarHBondContact CG2-OD2 3.22Å; T786-D789 PolarHBondContact N-OD2 3.41Å; T786-D789 VanDerWaalsContact OG1-CG 3.23Å; T786-D789 PolarHBondContact OG1-N 3.49Å; T786-D789 PolarHBondContact OG1-OD2 3.29Å; D789-M792 PolarHBondContact O-N 3.11Å; D789-F793 WeakPolarHBondContact O-CB 3.48Å; D789-F793 PolarHBondContact O-N 2.75Å
790L76.1Confident64.8Low11 Ų1162.1 Ų62.16%0.05834%0.34CS..Hα-helixtrans-68.8-34.5177.8-69.4179.8000112.6L715 W718 L719 M722 V785 T786 L787 F793 A794L715-L790 HydrophobicContact CB-CB 4.29Å; L715-L790 HydrophobicContact CD2-CB 4.27Å; W718-L790 HydrophobicContact CE3-CD2 4.37Å; W718-L790 HydrophobicContact CZ3-CD2 4.29Å; L719-L790 HydrophobicContact CB-CD1 3.77Å; L719-L790 HydrophobicContact CD1-CD1 4.4Å; M722-L790 HydrophobicContact CE-CD2 4.13Å; M722-L790 HydrophobicContact SD-CD1 4.47Å; V785-L790 HydrophobicContact CG1-CD1 4.46Å; V785-L790 HydrophobicContact CG1-CD2 4.01Å; V785-L790 HydrophobicContact CG1-CG 3.89Å; T786-L790 PolarHBondContact O-N 3.23Å; L787-L790 PolarHBondContact O-N 3.35Å; L790-F793 PolarHBondContact O-N 3.44Å; L790-A794 WeakPolarHBondContact O-CB 3.47Å; L790-A794 PolarHBondContact O-N 2.67Å
791E78.2Confident66.6Low39 Ų3960.3 Ų60.318%0.18232%0.323CS..Hα-helixtrans-67.6-41.8173-77.1-175.7138.400111.5R712 L715 L787 E788 A794 D795R712-E791 WeakPolarHBondContact CD-OE1 3.25Å; R712-E791 VanDerWaalsContact CG-OE1 3.22Å; R712-E791 WeakPolarHBondContact CG-OE1 3.34Å; R712-E791 IonicContact CZ-OE1 2.67Å; R712-E791 IonicContact CZ-OE2 3.68Å; R712-E791 IonicContact NE-OE1 3.68Å; R712-E791 IonicContact NH1-OE1 2.75Å; R712-E791 PolarHBondContact NH1-OE1 3.01Å; R712-E791 IonicContact NH1-OE2 3.38Å; R712-E791 PolarHBondContact NH1-OE2 3.14Å; R712-E791 IonicContact NH2-OE2 3.85Å; L715-E791 HydrophobicContact CD1-CB 4.34Å; L715-E791 HydrophobicContact CD1-CG 3.64Å; L787-E791 HydrophobicContact CD1-CG 4.38Å; L787-E791 HydrophobicContact CG-CG 4.49Å; L787-E791 WeakPolarHBondContact O-CB 3.45Å; L787-E791 WeakPolarHBondContact O-CG 3.3Å; L787-E791 PolarHBondContact O-N 3.41Å; E788-E791 PolarHBondContact O-N 2.96Å; E791-A794 PolarHBondContact O-N 3.33Å; E791-D795 WeakPolarHBondContact O-CB 3.44Å; E791-D795 PolarHBondContact O-N 2.93Å
792M69.8Low67.8Low114 Ų11455.3 Ų55.356%0.56230%0.298SS*.Hα-helixtrans-61.8-42.4172-179.6177.362.700111.9E788 D789 D795 L796E788-M792 WeakPolarHBondContact O-CB 3.5Å; E788-M792 PolarHBondContact O-N 3.1Å; D789-M792 PolarHBondContact O-N 3.11Å; M792-D795 PolarHBondContact O-N 2.91Å; M792-L796 HydrophobicContact CG-CD1 4.47Å; M792-L796 WeakPolarHBondContact O-CG 3.26Å; M792-L796 PolarHBondContact O-N 3.41Å; M792-L796 VanDerWaalsContact O-N 3.1Å
793F70.7Confident68.4Low87 Ų8755.4 Ų55.438%0.38229%0.291SS..Hα-helixtrans-63.9-43.1177.1-171.1-120.4000111.8I607 D789 L790 L796 F797I607-F793 HydrophobicContact CD1-CD1 3.75Å; I607-F793 HydrophobicContact CD1-CE1 3.27Å; I607-F793 HydrophobicContact CD1-CZ 3.91Å; D789-F793 WeakPolarHBondContact O-CB 3.48Å; D789-F793 PolarHBondContact O-N 2.75Å; L790-F793 PolarHBondContact O-N 3.44Å; F793-L796 PolarHBondContact O-N 2.89Å; F793-F797 AromaticContact CD2-CD2 3.75Å; F793-F797 HydrophobicContact CD2-CD2 3.75Å; F793-F797 AromaticContact CD2-CE2 3.85Å; F793-F797 HydrophobicContact CD2-CE2 3.85Å; F793-F797 AromaticContact CE2-CD2 3.59Å; F793-F797 HydrophobicContact CE2-CD2 3.59Å; F793-F797 AromaticContact CE2-CE2 3.46Å; F793-F797 HydrophobicContact CE2-CE2 3.46Å; F793-F797 VanDerWaalsContact CE2-CE2 3.46Å; F793-F797 HydrophobicContact CE2-CZ 4.5Å; F793-F797 HydrophobicContact CG-CD2 4.41Å; F793-F797 HydrophobicContact CZ-CD2 4.14Å; F793-F797 HydrophobicContact CZ-CE2 4.26Å; F793-F797 WeakPolarHBondContact O-CD2 3.45Å; F793-F797 PolarHBondContact O-N 3.25Å
794A76.9Confident68.5Low0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-68.9-31175.500000113.5I607 L711 L715 L790 E791 F797 Y798I607-A794 HydrophobicContact CG2-CB 4.21Å; L711-A794 HydrophobicContact CD1-CB 4.03Å; L711-A794 HydrophobicContact CD2-CB 4.19Å; L715-A794 HydrophobicContact CD1-CB 3.85Å; L715-A794 HydrophobicContact CD2-CB 4.19Å; L790-A794 WeakPolarHBondContact O-CB 3.47Å; L790-A794 PolarHBondContact O-N 2.67Å; E791-A794 PolarHBondContact O-N 3.33Å; A794-F797 CarbonylContact O-C 3.41Å; A794-Y798 WeakPolarHBondContact O-CA 3.44Å; A794-Y798 VanDerWaalsContact O-CB 3.28Å; A794-Y798 WeakPolarHBondContact O-CB 3.47Å; A794-Y798 PolarHBondContact O-N 3.47Å; A794-Y798 VanDerWaalsContact O-N 3.11Å
795D72.5Confident67.8Low35 Ų3551.1 Ų51.119%0.18726%0.26CS..Hα-helixtrans-67.1-39.9173.4-89.9-0.5000111.8E791 M792 V804 S806 A807E791-D795 WeakPolarHBondContact O-CB 3.44Å; E791-D795 PolarHBondContact O-N 2.93Å; M792-D795 PolarHBondContact O-N 2.91Å; D795-V804 HydrophobicContact CB-CB 4.16Å; D795-V804 WeakPolarHBondContact OD1-CB 3.42Å; D795-V804 WeakPolarHBondContact OD1-CG1 3.42Å; D795-V804 VanDerWaalsContact OD1-CG2 3.29Å; D795-V804 WeakPolarHBondContact OD1-CG2 3.47Å; D795-S806 VanDerWaalsContact CG-OG 3.26Å; D795-S806 PolarHBondContact OD2-OG 2.78Å; D795-A807 HydrophobicContact CB-CB 4.44Å; D795-A807 WeakPolarHBondContact O-CB 3.42Å
796L64.8Low66.6Low66 Ų6651.1 Ų51.135%0.34626%0.262SS..Hα-helixtrans-65.6-48.2175.8-70.7169.9000111.7M792 F793 A807 L810M792-L796 HydrophobicContact CG-CD1 4.47Å; M792-L796 WeakPolarHBondContact O-CG 3.26Å; M792-L796 PolarHBondContact O-N 3.41Å; M792-L796 VanDerWaalsContact O-N 3.1Å; F793-L796 PolarHBondContact O-N 2.89Å; L796-A807 HydrophobicContact CD2-CB 4.49Å; L796-L810 HydrophobicContact CD2-CD1 4.31Å; L796-L810 HydrophobicContact CD2-CD2 3.71Å; L796-L810 HydrophobicContact CD2-CG 4.45Å
797F74.8Confident64.8Low78 Ų7848.7 Ų48.734%0.34225%0.248SC..THydrogen-bonded Turntrans-101.140.1-176.3-67.5-79.5000112.1V605 F606 I607 F793 A794V605-F797 HydrophobicContact CB-CD1 4.27Å; V605-F797 WeakPolarHBondContact O-CB 3.42Å; F606-F797 CarbonylContact C-O 3.54Å; F606-F797 WeakPolarHBondContact CA-O 3.3Å; I607-F797 HydrophobicContact CB-CB 4.4Å; I607-F797 HydrophobicContact CD1-CB 3.98Å; I607-F797 HydrophobicContact CG1-CB 4.01Å; I607-F797 PolarHBondContact N-O 3.12Å; F793-F797 AromaticContact CD2-CD2 3.75Å; F793-F797 HydrophobicContact CD2-CD2 3.75Å; F793-F797 AromaticContact CD2-CE2 3.85Å; F793-F797 HydrophobicContact CD2-CE2 3.85Å; F793-F797 AromaticContact CE2-CD2 3.59Å; F793-F797 HydrophobicContact CE2-CD2 3.59Å; F793-F797 AromaticContact CE2-CE2 3.46Å; F793-F797 HydrophobicContact CE2-CE2 3.46Å; F793-F797 VanDerWaalsContact CE2-CE2 3.46Å; F793-F797 HydrophobicContact CE2-CZ 4.5Å; F793-F797 HydrophobicContact CG-CD2 4.41Å; F793-F797 HydrophobicContact CZ-CD2 4.14Å; F793-F797 HydrophobicContact CZ-CE2 4.26Å; F793-F797 WeakPolarHBondContact O-CD2 3.45Å; F793-F797 PolarHBondContact O-N 3.25Å; A794-F797 CarbonylContact O-C 3.41Å
798Y79.5Confident62.9Low13 Ų1349.4 Ų49.45%0.05125%0.252CS..  trans-66.3-85-166.1-167.6-96.9000114.1I607 G608 P609 L711 A794 S802 V804I607-Y798 PolarHBondContact N-O 3.1Å; G608-Y798 WeakPolarHBondContact CA-O 3.1Å; G608-Y798 PolarHBondContact N-O 2.76Å; P609-Y798 VanDerWaalsContact CD-CE2 3.5Å; P609-Y798 HydrophobicContact CG-CE2 4.28Å; L711-Y798 HydrophobicContact CD2-CD2 4.48Å; L711-Y798 HydrophobicContact CD2-CE2 4.06Å; A794-Y798 WeakPolarHBondContact O-CA 3.44Å; A794-Y798 VanDerWaalsContact O-CB 3.28Å; A794-Y798 WeakPolarHBondContact O-CB 3.47Å; A794-Y798 PolarHBondContact O-N 3.47Å; A794-Y798 VanDerWaalsContact O-N 3.11Å; Y798-S802 WeakPolarHBondContact CD1-O 3.28Å; Y798-V804 HydrophobicContact CD1-CG2 4.22Å; Y798-V804 HydrophobicContact CD2-CG2 3.46Å; Y798-V804 VanDerWaalsContact CD2-CG2 3.46Å; Y798-V804 HydrophobicContact CE1-CG2 4.39Å; Y798-V804 HydrophobicContact CE2-CG2 3.64Å; Y798-V804 HydrophobicContact CG-CG2 3.77Å
799L78.5Confident61.1Low8 Ų851.3 Ų51.34%0.04225%0.253CS..BIsolated β-bridgetrans-144.6158.4-178.1-69.9173.8000111.1L595 S611 F801 S802L595-L799 HydrophobicContact CD1-CD2 4.24Å; L595-L799 HydrophobicContact CG-CD2 4.19Å; S611-L799 WeakPolarHBondContact OG-CD1 3.36Å; L799-F801 PolarHBondContact O-N 2.79Å; L799-S802 PolarHBondContact N-O 3.26Å; L799-S802 PolarHBondContact O-N 2.72Å; L799-S802 VanDerWaalsContact O-N 3.17Å
800P71.3Confident59.4Low27 Ų2753.1 Ų53.118%0.17526%0.262CS..THydrogen-bonded Turntrans-56.3-16.8-175.9-2329.6000115.6L595 F606L595-P800 WeakPolarHBondContact O-CD 3.42Å; L595-P800 WeakPolarHBondContact O-CG 3.43Å; F606-P800 HydrophobicContact CD1-CG 3.91Å; F606-P800 HydrophobicContact CD2-CG 3.97Å; F606-P800 HydrophobicContact CE1-CB 4.04Å; F606-P800 HydrophobicContact CE1-CG 3.74Å; F606-P800 HydrophobicContact CE2-CG 3.8Å; F606-P800 HydrophobicContact CG-CG 4.01Å; F606-P800 HydrophobicContact CZ-CB 3.98Å; F606-P800 HydrophobicContact CZ-CG 3.67Å
801F66.1Low57.6Low72 Ų7255.8 Ų55.832%0.31628%0.28SS..THydrogen-bonded Turntrans-126.94.7-173.5-48-75.7000114.8V569 K571 L799V569-F801 HydrophobicContact CB-CZ 4.24Å; V569-F801 HydrophobicContact CG1-CE2 3.91Å; V569-F801 HydrophobicContact CG1-CZ 3.69Å; V569-F801 VanDerWaalsContact O-CZ 3.3Å; V569-F801 WeakPolarHBondContact O-CZ 3.29Å; K571-F801 HydrophobicContact CB-CB 4.2Å; K571-F801 HydrophobicContact CB-CD1 4.17Å; K571-F801 HydrophobicContact CB-CD2 3.62Å; K571-F801 HydrophobicContact CB-CE1 4.48Å; K571-F801 HydrophobicContact CB-CE2 3.97Å; K571-F801 HydrophobicContact CB-CG 3.72Å; K571-F801 HydrophobicContact CB-CZ 4.39Å; K571-F801 HydrophobicContact CD-CB 3.51Å; K571-F801 HydrophobicContact CD-CG 4.01Å; K571-F801 HydrophobicContact CG-CB 3.65Å; K571-F801 HydrophobicContact CG-CD2 3.81Å; K571-F801 HydrophobicContact CG-CG 3.75Å; K571-F801 PolarHBondContact NZ-O 2.94Å; L799-F801 PolarHBondContact O-N 2.79Å
802S53.9Low55.5Low20 Ų2059.4 Ų59.414%0.1430%0.297CS..BIsolated β-bridgetrans-148.6119.3-171.2-64.90000110.3Y798 L799Y798-S802 WeakPolarHBondContact CD1-O 3.28Å; L799-S802 PolarHBondContact N-O 3.26Å; L799-S802 PolarHBondContact O-N 2.72Å; L799-S802 VanDerWaalsContact O-N 3.17Å
803H48.3Very low53.8Low104 Ų10457.8 Ų57.848%0.48129%0.29SS..  trans-99.8145.5161.4-57.7-73.9000108.4A807 I808H803-A807 HydrophobicContact CB-CB 4.49Å; H803-I808 HydrophobicContact CB-CG1 3.71Å; H803-I808 WeakPolarHBondContact O-CD1 3.22Å
804V42.8Very low51.9Low10 Ų1054.8 Ų54.86%0.06128%0.283CS..  trans-80.1155.5177.7177.50000110.1D795 Y798 S806 A807 I808D795-V804 HydrophobicContact CB-CB 4.16Å; D795-V804 WeakPolarHBondContact OD1-CB 3.42Å; D795-V804 WeakPolarHBondContact OD1-CG1 3.42Å; D795-V804 VanDerWaalsContact OD1-CG2 3.29Å; D795-V804 WeakPolarHBondContact OD1-CG2 3.47Å; Y798-V804 HydrophobicContact CD1-CG2 4.22Å; Y798-V804 HydrophobicContact CD2-CG2 3.46Å; Y798-V804 VanDerWaalsContact CD2-CG2 3.46Å; Y798-V804 HydrophobicContact CE1-CG2 4.39Å; Y798-V804 HydrophobicContact CE2-CG2 3.64Å; Y798-V804 HydrophobicContact CG-CG2 3.77Å; V804-S806 WeakPolarHBondContact CG1-OG 3.49Å; V804-S806 CarbonylContact O-C 2.9Å; V804-S806 PolarHBondContact O-N 2.86Å; V804-A807 CarbonylContact O-C 3.57Å; V804-A807 WeakPolarHBondContact O-CA 3.2Å; V804-A807 PolarHBondContact O-N 3.39Å; V804-I808 WeakPolarHBondContact O-CG1 3.38Å; V804-I808 PolarHBondContact O-N 3.08Å
805S38.4Very low50.1Low44 Ų4459.9 Ų59.931%0.30831%0.307SS..THydrogen-bonded Turntrans-62.8-14.9-174.449.10000115.7
806S36.9Very low48.4Very low55 Ų5561.2 Ų61.239%0.38531%0.309SS..THydrogen-bonded Turntrans-68.9-57.6161.746.30000111D795 V804 R809D795-S806 VanDerWaalsContact CG-OG 3.26Å; D795-S806 PolarHBondContact OD2-OG 2.78Å; V804-S806 WeakPolarHBondContact CG1-OG 3.49Å; V804-S806 CarbonylContact O-C 2.9Å; V804-S806 PolarHBondContact O-N 2.86Å; S806-R809 WeakPolarHBondContact O-CB 3.38Å; S806-R809 PolarHBondContact O-N 3.14Å
807A36Very low46.8Very low4 Ų460.6 Ų60.63%0.03331%0.306CS..THydrogen-bonded Turntrans-72.9-25.3-178.500000114.5D795 L796 H803 V804 R809 L810 P811D795-A807 HydrophobicContact CB-CB 4.44Å; D795-A807 WeakPolarHBondContact O-CB 3.42Å; L796-A807 HydrophobicContact CD2-CB 4.49Å; H803-A807 HydrophobicContact CB-CB 4.49Å; V804-A807 CarbonylContact O-C 3.57Å; V804-A807 WeakPolarHBondContact O-CA 3.2Å; V804-A807 PolarHBondContact O-N 3.39Å; A807-R809 PolarHBondContact O-N 3.49Å; A807-L810 WeakPolarHBondContact O-CB 3.26Å; A807-L810 PolarHBondContact O-N 3.13Å; A807-P811 WeakPolarHBondContact O-CD 3.17Å
808I40.4Very low44.8Very low48 Ų4859.5 Ų59.525%0.24631%0.308CS..THydrogen-bonded Turntrans-57.6-36171.4-75.4172000109.6H803 V804 L810 P811 E812H803-I808 HydrophobicContact CB-CG1 3.71Å; H803-I808 WeakPolarHBondContact O-CD1 3.22Å; V804-I808 WeakPolarHBondContact O-CG1 3.38Å; V804-I808 PolarHBondContact O-N 3.08Å; I808-L810 PolarHBondContact O-N 3.2Å; I808-L810 VanDerWaalsContact O-N 3.16Å; I808-P811 WeakPolarHBondContact O-CD 3.44Å; I808-E812 VanDerWaalsContact CG2-CD 3.5Å; I808-E812 HydrophobicContact CG2-CG 4.08Å; I808-E812 WeakPolarHBondContact CG2-OE1 3.28Å; I808-E812 WeakPolarHBondContact O-CB 3.33Å; I808-E812 WeakPolarHBondContact O-CG 3.33Å; I808-E812 PolarHBondContact O-N 3.36Å
809R34.3Very low42.8Very low179 Ų17962 Ų6268%0.67532%0.32SS*.Hα-helixtrans-64.1-16.2173.4-59.5-173.1-169.6-163.73.1113.3S806 A807 L813S806-R809 WeakPolarHBondContact O-CB 3.38Å; S806-R809 PolarHBondContact O-N 3.14Å; A807-R809 PolarHBondContact O-N 3.49Å; R809-L813 WeakPolarHBondContact O-CA 3.39Å; R809-L813 WeakPolarHBondContact O-CB 3.49Å; R809-L813 PolarHBondContact O-N 3.21Å
810L37.4Very low40.6Very low101 Ų10168.7 Ų68.753%0.52935%0.345SS..Hα-helixtrans-80.2-45.4175.7-105.785.9000113.2L796 A807 I808 E812 G814L796-L810 HydrophobicContact CD2-CD1 4.31Å; L796-L810 HydrophobicContact CD2-CD2 3.71Å; L796-L810 HydrophobicContact CD2-CG 4.45Å; A807-L810 WeakPolarHBondContact O-CB 3.26Å; A807-L810 PolarHBondContact O-N 3.13Å; I808-L810 PolarHBondContact O-N 3.2Å; I808-L810 VanDerWaalsContact O-N 3.16Å; L810-E812 VanDerWaalsContact C-N 3.35Å; L810-G814 WeakPolarHBondContact O-CA 3.5Å; L810-G814 PolarHBondContact O-N 3.27Å
811P37.5Very low38.6Very low67 Ų6769 Ų6944%0.43535%0.348SS..Hα-helixtrans-67.9-29.1166.2-27.538.1000113.7A807 I808 G814 H815A807-P811 WeakPolarHBondContact O-CD 3.17Å; I808-P811 WeakPolarHBondContact O-CD 3.44Å; P811-G814 CarbonylContact O-C 3.5Å; P811-G814 PolarHBondContact O-N 3.02Å; P811-H815 WeakPolarHBondContact O-CB 2.88Å; P811-H815 PolarHBondContact O-N 3.28Å
812E34.9Very low37Very low116 Ų11676.6 Ų76.654%0.54238%0.375SS..Hα-helixtrans-70.6-44.9171.2-70.2174.2159.200111.8I808 L810 G814 H815 W816I808-E812 VanDerWaalsContact CG2-CD 3.5Å; I808-E812 HydrophobicContact CG2-CG 4.08Å; I808-E812 WeakPolarHBondContact CG2-OE1 3.28Å; I808-E812 WeakPolarHBondContact O-CB 3.33Å; I808-E812 WeakPolarHBondContact O-CG 3.33Å; I808-E812 PolarHBondContact O-N 3.36Å; L810-E812 VanDerWaalsContact C-N 3.35Å; E812-G814 PolarHBondContact O-N 2.9Å; E812-H815 PolarHBondContact O-N 2.95Å; E812-W816 VanDerWaalsContact O-CB 3.27Å; E812-W816 WeakPolarHBondContact O-CB 3.5Å; E812-W816 PolarHBondContact O-N 2.99Å
813L33.2Very low35.8Very low80 Ų8078.7 Ų78.742%0.41939%0.389SS..Hα-helixtrans-63.8-32.7170.5-173.376000110.7Y407 R809 W816 L817Y407-L813 HydrophobicContact CE1-CD1 4.05Å; R809-L813 WeakPolarHBondContact O-CA 3.39Å; R809-L813 WeakPolarHBondContact O-CB 3.49Å; R809-L813 PolarHBondContact O-N 3.21Å; L813-W816 HydrophobicContact CD1-CD2 4.32Å; L813-W816 HydrophobicContact CD1-CE3 3.41Å; L813-W816 VanDerWaalsContact CD1-CE3 3.41Å; L813-W816 HydrophobicContact CD1-CZ3 3.94Å; L813-W816 HydrophobicContact CG-CE3 4.18Å; L813-W816 PolarHBondContact O-N 3.08Å; L813-L817 HydrophobicContact CG-CD1 4.29Å; L813-L817 WeakPolarHBondContact O-CB 3.42Å; L813-L817 WeakPolarHBondContact O-CG 3.41Å; L813-L817 PolarHBondContact O-N 3.46Å
814G32.2Very low35.2Very low23 Ų2378.1 Ų78.124%0.23738%0.382CS..Hα-helixtrans-67-41.7173.400000112.2L810 P811 E812 C818L810-G814 WeakPolarHBondContact O-CA 3.5Å; L810-G814 PolarHBondContact O-N 3.27Å; P811-G814 CarbonylContact O-C 3.5Å; P811-G814 PolarHBondContact O-N 3.02Å; E812-G814 PolarHBondContact O-N 2.9Å; G814-C818 VanDerWaalsContact O-CB 3.3Å; G814-C818 WeakPolarHBondContact O-CB 3.31Å; G814-C818 PolarHBondContact O-N 3.41Å; G814-C818 PolarHBondContact O-SG 3.34Å
815H38.9Very low34.9Very low107 Ų10782.4 Ų82.450%0.49540%0.401SS..Hα-helixtrans-64.7-46.7170.8-110.8-91.5000111.2P811 E812 L817 C818 E819P811-H815 WeakPolarHBondContact O-CB 2.88Å; P811-H815 PolarHBondContact O-N 3.28Å; E812-H815 PolarHBondContact O-N 2.95Å; H815-L817 VanDerWaalsContact C-N 3.34Å; H815-L817 PolarHBondContact O-N 3.44Å; H815-C818 CarbonylContact O-C 3.54Å; H815-C818 WeakPolarHBondContact O-CA 3.45Å; H815-C818 PolarHBondContact O-N 3.09Å; H815-C818 VanDerWaalsContact O-N 3.07Å; H815-E819 WeakPolarHBondContact O-CG 3.44Å; H815-E819 PolarHBondContact O-N 3.28Å
816W35.6Very low34.4Very low63 Ų6385.8 Ų85.824%0.23942%0.416CS..Hα-helixtrans-62.1-38.2176.717789.9000112.1M405 Y407 E812 L813 Y820M405-W816 HydrophobicContact SD-CG 4.06Å; Y407-W816 AromaticContact CD1-CD2 3.38Å; Y407-W816 HydrophobicContact CD1-CD2 3.38Å; Y407-W816 AromaticContact CD1-CE2 2.32Å; Y407-W816 AromaticContact CD1-CE3 3.97Å; Y407-W816 HydrophobicContact CD1-CE3 3.97Å; Y407-W816 HydrophobicContact CD1-CG 4.32Å; Y407-W816 AromaticContact CD1-CH2 3.36Å; Y407-W816 HydrophobicContact CD1-CH2 3.36Å; Y407-W816 AromaticContact CD1-CZ2 2.32Å; Y407-W816 HydrophobicContact CD1-CZ2 2.32Å; Y407-W816 AromaticContact CD1-CZ3 3.97Å; Y407-W816 HydrophobicContact CD1-CZ3 3.97Å; Y407-W816 AromaticContact CD1-NE1 3.07Å; Y407-W816 AromaticContact CD2-CD2 3.99Å; Y407-W816 HydrophobicContact CD2-CD2 3.99Å; Y407-W816 AromaticContact CD2-CE2 2.36Å; Y407-W816 AromaticContact CD2-CH2 3.98Å; Y407-W816 HydrophobicContact CD2-CH2 3.98Å; Y407-W816 AromaticContact CD2-CZ2 2.36Å; Y407-W816 HydrophobicContact CD2-CZ2 2.36Å; Y407-W816 AromaticContact CD2-NE1 2.83Å; Y407-W816 AromaticContact CE1-CD1 3.96Å; Y407-W816 AromaticContact CE1-CD2 2.33Å; Y407-W816 HydrophobicContact CE1-CD2 2.33Å; Y407-W816 AromaticContact CE1-CE2 2.13Å; Y407-W816 AromaticContact CE1-CE3 2.35Å; Y407-W816 HydrophobicContact CE1-CE3 2.35Å; Y407-W816 AromaticContact CE1-CG 3.62Å; Y407-W816 HydrophobicContact CE1-CG 3.62Å; Y407-W816 AromaticContact CE1-CH2 2.32Å; Y407-W816 HydrophobicContact CE1-CH2 2.32Å; Y407-W816 AromaticContact CE1-CZ2 2.13Å; Y407-W816 HydrophobicContact CE1-CZ2 2.13Å; Y407-W816 AromaticContact CE1-CZ3 2.35Å; Y407-W816 HydrophobicContact CE1-CZ3 2.35Å; Y407-W816 AromaticContact CE1-NE1 3.31Å; Y407-W816 VanDerWaalsContact CE1-NE1 3.31Å; Y407-W816 AromaticContact CE2-CD2 3.37Å; Y407-W816 HydrophobicContact CE2-CD2 3.37Å; Y407-W816 AromaticContact CE2-CE2 2.31Å; Y407-W816 AromaticContact CE2-CE3 4Å; Y407-W816 HydrophobicContact CE2-CE3 4Å; Y407-W816 HydrophobicContact CE2-CG 4.2Å; Y407-W816 AromaticContact CE2-CH2 3.37Å; Y407-W816 HydrophobicContact CE2-CH2 3.37Å; Y407-W816 AromaticContact CE2-CZ2 2.32Å; Y407-W816 HydrophobicContact CE2-CZ2 2.32Å; Y407-W816 AromaticContact CE2-CZ3 4Å; Y407-W816 HydrophobicContact CE2-CZ3 4Å; Y407-W816 AromaticContact CE2-NE1 3.14Å; Y407-W816 AromaticContact CG-CD2 3.99Å; Y407-W816 HydrophobicContact CG-CD2 3.99Å; Y407-W816 AromaticContact CG-CE2 2.36Å; Y407-W816 AromaticContact CG-CH2 3.97Å; Y407-W816 HydrophobicContact CG-CH2 3.97Å; Y407-W816 AromaticContact CG-CZ2 2.36Å; Y407-W816 HydrophobicContact CG-CZ2 2.36Å; Y407-W816 AromaticContact CG-NE1 2.79Å; Y407-W816 AromaticContact CZ-CD1 3.94Å; Y407-W816 AromaticContact CZ-CD2 2.32Å; Y407-W816 AromaticContact CZ-CE2 2.13Å; Y407-W816 AromaticContact CZ-CE3 2.37Å; Y407-W816 AromaticContact CZ-CG 3.53Å; Y407-W816 AromaticContact CZ-CH2 2.32Å; Y407-W816 AromaticContact CZ-CZ2 2.13Å; Y407-W816 AromaticContact CZ-CZ3 2.37Å; Y407-W816 AromaticContact CZ-NE1 3.36Å; Y407-W816 WeakPolarHBondContact OH-CH2 3.44Å; Y407-W816 WeakPolarHBondContact OH-CZ2 3Å; Y407-W816 WeakPolarHBondContact OH-CZ3 3.46Å; Y407-W816 PolarHBondContact OH-O 3.05Å; E812-W816 VanDerWaalsContact O-CB 3.27Å; E812-W816 WeakPolarHBondContact O-CB 3.5Å; E812-W816 PolarHBondContact O-N 2.99Å; L813-W816 HydrophobicContact CD1-CD2 4.32Å; L813-W816 HydrophobicContact CD1-CE3 3.41Å; L813-W816 VanDerWaalsContact CD1-CE3 3.41Å; L813-W816 HydrophobicContact CD1-CZ3 3.94Å; L813-W816 HydrophobicContact CG-CE3 4.18Å; L813-W816 PolarHBondContact O-N 3.08Å; W816-Y820 PolarHBondContact O-N 2.77Å
817L31.5Very low34.1Very low54 Ų5497.1 Ų97.128%0.28345%0.45SS..Hα-helixtrans-66.7-41.6168.9-79.3169.1000111.5L813 H815 E819 S821L813-L817 HydrophobicContact CG-CD1 4.29Å; L813-L817 WeakPolarHBondContact O-CB 3.42Å; L813-L817 WeakPolarHBondContact O-CG 3.41Å; L813-L817 PolarHBondContact O-N 3.46Å; H815-L817 VanDerWaalsContact C-N 3.34Å; H815-L817 PolarHBondContact O-N 3.44Å; L817-E819 VanDerWaalsContact C-N 3.34Å; L817-S821 VanDerWaalsContact O-CA 3.31Å; L817-S821 WeakPolarHBondContact O-CA 3.31Å; L817-S821 VanDerWaalsContact O-CB 3.26Å; L817-S821 WeakPolarHBondContact O-CB 3.47Å; L817-S821 PolarHBondContact O-N 3.18Å; L817-S821 VanDerWaalsContact O-O 3.07Å; L817-S821 PolarHBondContact O-OG 3.16Å
818C33.9Very low34Very low55 Ų55101.8 Ų101.837%0.37247%0.471SS..Hα-helixtrans-69.4-29.1177.5-74.40000113.3G814 H815 L826G814-C818 VanDerWaalsContact O-CB 3.3Å; G814-C818 WeakPolarHBondContact O-CB 3.31Å; G814-C818 PolarHBondContact O-N 3.41Å; G814-C818 PolarHBondContact O-SG 3.34Å; H815-C818 CarbonylContact O-C 3.54Å; H815-C818 WeakPolarHBondContact O-CA 3.45Å; H815-C818 PolarHBondContact O-N 3.09Å; H815-C818 VanDerWaalsContact O-N 3.07Å; C818-L826 PolarHBondContact SG-O 2.95Å; C818-L826 VanDerWaalsContact SG-O 3.39Å
819E36.4Very low33.7Very low65 Ų65104.6 Ų104.630%0.30448%0.483SS..Hα-helixtrans-80.2-39.6175-69.3-167149.200111.9V404 M405 H815 L817V404-E819 WeakPolarHBondContact CG2-OE1 3.28Å; M405-E819 WeakPolarHBondContact CG-OE2 3.23Å; M405-E819 HydrophobicContact SD-CB 4.37Å; H815-E819 WeakPolarHBondContact O-CG 3.44Å; H815-E819 PolarHBondContact O-N 3.28Å; L817-E819 VanDerWaalsContact C-N 3.34Å
820Y31.9Very low33.6Very low148 Ų148100.5 Ų100.558%0.5847%0.472SS*.Hα-helixtrans-121.7-11.9-167.8-89.3-120.5000117M405 Y407 W816M405-Y820 HydrophobicContact CB-CE2 4.42Å; M405-Y820 HydrophobicContact CE-CD1 3.43Å; M405-Y820 VanDerWaalsContact CE-CD1 3.43Å; M405-Y820 HydrophobicContact CE-CD2 3.43Å; M405-Y820 VanDerWaalsContact CE-CD2 3.43Å; M405-Y820 HydrophobicContact CE-CE1 3.68Å; M405-Y820 HydrophobicContact CE-CE2 3.75Å; M405-Y820 HydrophobicContact CE-CG 3.29Å; M405-Y820 HydrophobicContact CG-CD2 3.63Å; M405-Y820 HydrophobicContact CG-CE2 3.34Å; M405-Y820 HydrophobicContact CG-CG 4.48Å; M405-Y820 HydrophobicContact SD-CD1 4.43Å; M405-Y820 HydrophobicContact SD-CD2 3.3Å; M405-Y820 WeakPolarHBondContact SD-CD2 3.26Å; M405-Y820 HydrophobicContact SD-CE2 3.7Å; M405-Y820 HydrophobicContact SD-CG 3.74Å; Y407-Y820 HydrophobicContact CE2-CD1 4.42Å; Y407-Y820 HydrophobicContact CE2-CG 4.31Å; W816-Y820 PolarHBondContact O-N 2.77Å
821S29.7Very low33.4Very low33 Ų33100.5 Ų100.523%0.23147%0.469CS..SBendtrans-92.7134.6159.9830000108.6L817 C823L817-S821 VanDerWaalsContact O-CA 3.31Å; L817-S821 WeakPolarHBondContact O-CA 3.31Å; L817-S821 VanDerWaalsContact O-CB 3.26Å; L817-S821 WeakPolarHBondContact O-CB 3.47Å; L817-S821 PolarHBondContact O-N 3.18Å; L817-S821 VanDerWaalsContact O-O 3.07Å; L817-S821 PolarHBondContact O-OG 3.16Å; S821-C823 PolarHBondContact O-N 3.49Å
822R31.9Very low33.2Very low232 Ų232102.6 Ų102.688%0.87547%0.471SS*.SBendtrans-78.968179-66.5-177.6179.3-179.4-1.5110.2
823C30.5Very low33.1Very low64 Ų64101.7 Ų101.743%0.43247%0.466SS..  trans-140.978.6-172.1-71.20000110.2S821 H825S821-C823 PolarHBondContact O-N 3.49Å; C823-H825 PolarHBondContact O-N 3.4Å
824R34.5Very low33Very low93 Ų93103.2 Ų103.235%0.35147%0.469SS..THydrogen-bonded Turntrans-68.75.7-177.1-61.3-152.2-168.598.98115.9D383 N384D383-R824 PolarHBondContact O-NH1 3.09Å; D383-R824 PolarHBondContact O-NH2 3.1Å; D383-R824 WeakPolarHBondContact OD2-CD 3.2Å; D383-R824 IonicContact OD2-CZ 2.69Å; D383-R824 VanDerWaalsContact OD2-CZ 3.24Å; D383-R824 IonicContact OD2-NE 3.6Å; D383-R824 PolarHBondContact OD2-NE 3.08Å; D383-R824 IonicContact OD2-NH1 2.69Å; D383-R824 PolarHBondContact OD2-NH1 3.04Å; N384-R824 PolarHBondContact ND2-NH2 3.07Å
825H37.5Very low33.1Very low99 Ų99109.4 Ų109.446%0.45849%0.487SS..THydrogen-bonded Turntrans-9112.1-172.6-79.554.8000114.4R25 C823R25-H825 PolarHBondContact NE-NE2 3.21Å; R25-H825 PolarHBondContact NH2-CD2 3.09Å; R25-H825 PolarHBondContact NH2-NE2 3.2Å; C823-H825 PolarHBondContact O-N 3.4Å
826L28.4Very low32.6Very low116 Ų116109.6 Ų109.661%0.60749%0.487SS*.  trans-120.938.4-179.8-71.1169.7000112.5C818C818-L826 PolarHBondContact SG-O 2.95Å; C818-L826 VanDerWaalsContact SG-O 3.39Å
827R29.8Very low32.3Very low293 Ų293113.8 Ų113.8100%1.10651%0.509SS*.  trans-960174.4-104.1-172.4178.6173.22.1112.3

Retrieved 827 of 827 residues in 588.3 ms (Link to these results)

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