A0A077YXM2_TRITR Loading...

E3 ubiquitin protein ligase HERC4

AlphaFold DB , UniProt , Accession A0A077YXM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 988 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
1M41Very low79.5Confident205 Ų20536.3 Ų36.3100%1.0120%0.198SC*.  0132.60-65.1-177-15800107.6A3M1-A3 PolarHBondContact O-N 2.9Å
2S48.8Very low80.6Confident60 Ų6033.6 Ų33.642%0.4218%0.184SC..PPolyproline II helixtrans-62.2121.7171.245.30000108.3E4 L392S2-E4 PolarHBondContact O-N 3.02Å; S2-L392 WeakPolarHBondContact OG-CD2 3.23Å
3A57Low81.4Confident28 Ų2840.2 Ų40.223%0.23121%0.213CC..PPolyproline II helixtrans-61.1124.8175.500000108.6M1 S393M1-A3 PolarHBondContact O-N 2.9Å; A3-S393 WeakPolarHBondContact O-CB 3.48Å; A3-S393 PolarHBondContact O-N 3.05Å; A3-S393 PolarHBondContact O-OG 3.13Å
4E75Confident82.1Confident42 Ų4240.1 Ų40.120%0.19621%0.212CC..EExtended strand (participates in β ladder)trans-85.4138.7171.7-62.4-166.6139.800109S2 S378 L390 C391 L392S2-E4 PolarHBondContact O-N 3.02Å; E4-S378 VanDerWaalsContact OE1-CB 3.27Å; E4-S378 WeakPolarHBondContact OE1-CB 3.43Å; E4-S378 PolarHBondContact OE1-OG 3.22Å; E4-L390 HydrophobicContact CB-CD2 3.82Å; E4-C391 CarbonylContact C-O 3.24Å; E4-C391 VanDerWaalsContact CA-O 3.29Å; E4-C391 WeakPolarHBondContact CA-O 3.44Å; E4-L392 HydrophobicContact CG-CD2 4.1Å
5E86.4Confident82.8Confident33 Ų3337.9 Ų37.915%0.15420%0.203CC..EExtended strand (participates in β ladder)trans-98.5130.3174.5-174175.8-155.700108.4L7 A31 K375 C391E5-L7 HydrophobicContact CG-CD2 3.96Å; E5-A31 HydrophobicContact CG-CB 4.04Å; E5-A31 WeakPolarHBondContact OE1-CB 3.38Å; E5-K375 IonicContact OE1-NZ 3.98Å; E5-K375 IonicContact OE2-NZ 2.68Å; E5-K375 PolarHBondContact OE2-NZ 3.32Å; E5-C391 PolarHBondContact N-O 3.05Å; E5-C391 PolarHBondContact O-N 3.41Å
6V91.4Very high83.5Confident4 Ų435.6 Ų35.62%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-90115.7176.1-176.40000108.5A31 L32 M38 C41 I44 F388 L390V6-A31 WeakPolarHBondContact O-CA 3.17Å; V6-L32 HydrophobicContact CB-CB 4.45Å; V6-L32 HydrophobicContact CG1-CD1 4.18Å; V6-L32 HydrophobicContact CG1-CD2 4.28Å; V6-L32 PolarHBondContact O-N 3.12Å; V6-M38 HydrophobicContact CB-CG 4.43Å; V6-M38 HydrophobicContact CG2-CG 3.81Å; V6-M38 HydrophobicContact CG2-SD 3.99Å; V6-C41 HydrophobicContact CG2-CB 4.43Å; V6-I44 HydrophobicContact CG1-CD1 3.7Å; V6-F388 HydrophobicContact CG1-CD1 3.95Å; V6-L390 HydrophobicContact CG2-CD2 3.68Å
7L92.8Very high84.1Confident13 Ų1333.6 Ų33.67%0.06818%0.18CC..EExtended strand (participates in β ladder)trans-102.9140.5173.4-51.5179.8000109.8E5 A29 T30 A31 C374 F388 L389 C391E5-L7 HydrophobicContact CG-CD2 3.96Å; L7-A29 HydrophobicContact CB-CB 4.08Å; L7-A29 HydrophobicContact CD1-CB 3.98Å; L7-T30 CarbonylContact C-O 3.55Å; L7-T30 WeakPolarHBondContact CA-O 3.17Å; L7-A31 HydrophobicContact CD2-CB 3.78Å; L7-C374 HydrophobicContact CD1-CB 4.32Å; L7-F388 CarbonylContact O-C 3.45Å; L7-F388 WeakPolarHBondContact O-CA 3.48Å; L7-L389 HydrophobicContact CB-CB 4.34Å; L7-L389 PolarHBondContact N-O 3.23Å; L7-L389 PolarHBondContact O-N 3.23Å; L7-C391 HydrophobicContact CD1-CB 4.44Å; L7-C391 VanDerWaalsContact CD1-SG 3.58Å
8A95Very high84.6Confident0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-130.8146.417900000111.6L17 T30 L32 S387 F388A8-L17 HydrophobicContact CB-CB 4.18Å; A8-L17 HydrophobicContact CB-CD2 4.16Å; A8-T30 PolarHBondContact N-O 2.94Å; A8-T30 PolarHBondContact O-N 3.1Å; A8-L32 HydrophobicContact CB-CD1 3.43Å; A8-L32 VanDerWaalsContact CB-CD1 3.43Å; A8-S387 WeakPolarHBondContact CA-O 3.48Å; A8-F388 HydrophobicContact CB-CD1 3.53Å; A8-F388 HydrophobicContact CB-CE1 3.41Å; A8-F388 VanDerWaalsContact CB-CE1 3.41Å; A8-F388 HydrophobicContact CB-CG 4.47Å; A8-F388 HydrophobicContact CB-CZ 4.28Å
9F95.9Very high84.9Confident0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-156.2157.6176.646.1-84.2000110.9M26 A29 Q356 V372 F386 S387 L389F9-M26 HydrophobicContact CB-CB 4.49Å; F9-M26 WeakPolarHBondContact CB-O 3.2Å; F9-A29 HydrophobicContact CD1-CB 3.76Å; F9-A29 HydrophobicContact CE1-CB 4.03Å; F9-Q356 WeakPolarHBondContact CD2-O 3.39Å; F9-Q356 WeakPolarHBondContact CE2-O 3.31Å; F9-V372 HydrophobicContact CZ-CG1 4.43Å; F9-F386 CarbonylContact O-C 3.5Å; F9-F386 WeakPolarHBondContact O-CA 3.42Å; F9-F386 WeakPolarHBondContact O-CB 3.27Å; F9-S387 PolarHBondContact N-O 3.34Å; F9-S387 PolarHBondContact O-N 3.19Å; F9-L389 HydrophobicContact CE1-CD1 3.67Å; F9-L389 HydrophobicContact CE1-CG 3.68Å; F9-L389 HydrophobicContact CZ-CD1 3.97Å; F9-L389 HydrophobicContact CZ-CD2 4.46Å; F9-L389 HydrophobicContact CZ-CG 3.96Å
10G96Very high84.9Confident0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans113.1-153.6-174.900000114.1M26 S354 E385G10-M26 PolarHBondContact N-O 3.28Å; G10-M26 PolarHBondContact O-N 3.18Å; G10-S354 CarbonylContact C-O 3.51Å; G10-S354 WeakPolarHBondContact CA-O 3.5Å; G10-E385 WeakPolarHBondContact CA-O 3.34Å
11N95.1Very high84.5Confident14 Ų1432.1 Ų32.18%0.07519%0.191CC..  trans-64.5129.9-179.6-171.9-23.8000111.3Q13 Q16 L17 N25 E385N11-Q13 WeakPolarHBondContact OD1-CB 3.25Å; N11-Q13 WeakPolarHBondContact OD1-CG 3.31Å; N11-Q13 PolarHBondContact OD1-N 3.4Å; N11-Q16 VanDerWaalsContact CG-NE2 3.34Å; N11-Q16 WeakPolarHBondContact O-CG 3.37Å; N11-Q16 PolarHBondContact O-NE2 2.96Å; N11-Q16 PolarHBondContact OD1-NE2 3Å; N11-L17 WeakPolarHBondContact O-CG 3.35Å; N11-N25 WeakPolarHBondContact CA-OD1 3.15Å; N11-E385 HydrophobicContact CB-CB 3.99Å; N11-E385 WeakPolarHBondContact CB-O 3.23Å; N11-E385 PolarHBondContact N-O 3.18Å
12S92.7Very high86.4Confident4 Ų425.2 Ų25.23%0.02816%0.157CC..  trans-116.7-3.1-178.1630000114.3D14 G15 E24 N25S12-D14 PolarHBondContact O-N 3.44Å; S12-G15 WeakPolarHBondContact O-CA 3.46Å; S12-G15 PolarHBondContact O-N 3.24Å; S12-E24 WeakPolarHBondContact CB-O 3.32Å; S12-E24 PolarHBondContact OG-O 3.13Å; S12-N25 PolarHBondContact N-OD1 3.4Å
13Q91.1Very high87.7Confident119 Ų11929.2 Ų29.256%0.55617%0.17SC*.THydrogen-bonded Turntrans-56.6-44-166.3-69.9-178.7-24.800114N11 G15N11-Q13 WeakPolarHBondContact OD1-CB 3.25Å; N11-Q13 WeakPolarHBondContact OD1-CG 3.31Å; N11-Q13 PolarHBondContact OD1-N 3.4Å; Q13-G15 VanDerWaalsContact C-N 3.32Å
14D91.7Very high89.2Confident39 Ų3935.4 Ų35.421%0.20919%0.194CC..THydrogen-bonded Turntrans-88.3-0.9-179.1-68.9-79.4000112S12 K49 G64 N65S12-D14 PolarHBondContact O-N 3.44Å; D14-K49 HydrophobicContact CB-CB 4.5Å; D14-K49 IonicContact OD1-NZ 4Å; D14-K49 VanDerWaalsContact OD2-CD 3.31Å; D14-K49 WeakPolarHBondContact OD2-CD 3.41Å; D14-K49 WeakPolarHBondContact OD2-CE 3.3Å; D14-K49 IonicContact OD2-NZ 3.95Å; D14-K49 PolarHBondContact OD2-NZ 3.39Å; D14-G64 CarbonylContact O-C 3.58Å; D14-G64 WeakPolarHBondContact O-CA 3.4Å; D14-N65 HydrophobicContact CB-CB 3.99Å; D14-N65 PolarHBondContact OD1-ND2 2.88Å
15G92.6Very high90Very high7 Ų736 Ų367%0.07220%0.199CC..SBendtrans82.213.1-176.600000115S12 Q13 L17 G18S12-G15 WeakPolarHBondContact O-CA 3.46Å; S12-G15 PolarHBondContact O-N 3.24Å; Q13-G15 VanDerWaalsContact C-N 3.32Å; G15-L17 PolarHBondContact O-N 3.19Å; G15-G18 PolarHBondContact O-N 2.61Å
16Q93.9Very high90.3Very high2 Ų236 Ų361%0.00920%0.199CC..THydrogen-bonded Turntrans-63.2-20.8-176.664.2-88.438.500114.6N11 G18 K49 T51 F386N11-Q16 VanDerWaalsContact CG-NE2 3.34Å; N11-Q16 WeakPolarHBondContact O-CG 3.37Å; N11-Q16 PolarHBondContact O-NE2 2.96Å; N11-Q16 PolarHBondContact OD1-NE2 3Å; Q16-G18 VanDerWaalsContact C-N 3.28Å; Q16-K49 WeakPolarHBondContact CB-O 3.31Å; Q16-T51 WeakPolarHBondContact O-CB 3.18Å; Q16-T51 PolarHBondContact O-OG1 3.1Å; Q16-F386 HydrophobicContact CB-CE1 4.2Å; Q16-F386 HydrophobicContact CB-CE2 4.45Å; Q16-F386 HydrophobicContact CB-CZ 4.13Å; Q16-F386 HydrophobicContact CG-CD1 3.63Å; Q16-F386 HydrophobicContact CG-CD2 4.32Å; Q16-F386 HydrophobicContact CG-CE1 3.69Å; Q16-F386 HydrophobicContact CG-CE2 4.35Å; Q16-F386 HydrophobicContact CG-CG 3.97Å; Q16-F386 HydrophobicContact CG-CZ 4.06Å
17L94.2Very high90.3Very high2 Ų240.7 Ų40.71%0.0122%0.216CC..THydrogen-bonded Turntrans-76.5-13.4173.2-57.3-177000113.2A8 N11 G15 L19 M26 F386A8-L17 HydrophobicContact CB-CB 4.18Å; A8-L17 HydrophobicContact CB-CD2 4.16Å; N11-L17 WeakPolarHBondContact O-CG 3.35Å; G15-L17 PolarHBondContact O-N 3.19Å; L17-L19 HydrophobicContact CB-CD1 4.06Å; L17-L19 HydrophobicContact CB-CG 4.01Å; L17-L19 HydrophobicContact CD1-CD1 3.99Å; L17-L19 PolarHBondContact O-N 3.37Å; L17-M26 HydrophobicContact CD1-CB 3.94Å; L17-M26 HydrophobicContact CD1-CG 3.56Å; L17-F386 HydrophobicContact CD2-CB 3.55Å; L17-F386 HydrophobicContact CD2-CD2 4.23Å; L17-F386 HydrophobicContact CD2-CG 4.15Å
18G92.1Very high90.2Very high2 Ų245.7 Ų45.72%0.02124%0.24CC..  trans70.37.4-178.500000115.7G15 Q16 G20 K78 P80G15-G18 PolarHBondContact O-N 2.61Å; Q16-G18 VanDerWaalsContact C-N 3.28Å; G18-G20 VanDerWaalsContact C-N 3.3Å; G18-G20 PolarHBondContact O-N 2.78Å; G18-K78 CarbonylContact C-O 3.24Å; G18-K78 VanDerWaalsContact C-O 3.29Å; G18-K78 WeakPolarHBondContact CA-O 3.36Å; G18-P80 WeakPolarHBondContact O-CD 3.36Å
19L90.4Very high90Very high21 Ų2147 Ų4711%0.1125%0.251CS..  trans-73.9-17.2-176.2-65.1172.6000114.1L17 I22 M26 T30 L32L17-L19 HydrophobicContact CB-CD1 4.06Å; L17-L19 HydrophobicContact CB-CG 4.01Å; L17-L19 HydrophobicContact CD1-CD1 3.99Å; L17-L19 PolarHBondContact O-N 3.37Å; L19-I22 HydrophobicContact CB-CD1 3.69Å; L19-I22 HydrophobicContact CB-CG1 4.34Å; L19-I22 HydrophobicContact CD1-CD1 3.95Å; L19-I22 HydrophobicContact CG-CD1 4.41Å; L19-M26 HydrophobicContact CD1-CE 4.27Å; L19-M26 HydrophobicContact CD1-CG 3.75Å; L19-M26 HydrophobicContact CD1-SD 4.33Å; L19-T30 HydrophobicContact CD1-CG2 4.35Å; L19-T30 HydrophobicContact CD2-CG2 4.24Å; L19-L32 HydrophobicContact CD2-CD1 3.81Å; L19-L32 HydrophobicContact CD2-CG 4.08Å
20G84.5Confident89.8Confident24 Ų2449 Ų4925%0.24726%0.264CS..SBendtrans76.5107.5177.800000114.6G18 I22 K78G18-G20 VanDerWaalsContact C-N 3.3Å; G18-G20 PolarHBondContact O-N 2.78Å; G20-I22 PolarHBondContact O-N 3.05Å; G20-K78 VanDerWaalsContact CA-O 3.28Å; G20-K78 WeakPolarHBondContact CA-O 3.34Å; G20-K78 PolarHBondContact N-O 3.28Å
21G77.1Confident89.6Confident55 Ų5550.9 Ų50.957%0.56728%0.279SS*.SBendtrans75.21.5165.700000116.3
22I80Confident89.3Confident60 Ų6050.5 Ų50.531%0.30828%0.277SS..  trans-81.3126172.6-54-179.6000108.8L19 G20 E24 M26L19-I22 HydrophobicContact CB-CD1 3.69Å; L19-I22 HydrophobicContact CB-CG1 4.34Å; L19-I22 HydrophobicContact CD1-CD1 3.95Å; L19-I22 HydrophobicContact CG-CD1 4.41Å; G20-I22 PolarHBondContact O-N 3.05Å; I22-E24 HydrophobicContact CG2-CB 4.47Å; I22-E24 WeakPolarHBondContact CG2-O 3.35Å; I22-M26 HydrophobicContact CD1-SD 4.3Å; I22-M26 HydrophobicContact CG2-SD 3.88Å
23E78.1Confident88.8Confident145 Ų14554 Ų5468%0.67830%0.3SS*.  trans-103.2-13.4176-55.7-157.5151.800113K78E23-K78 IonicContact OE1-NZ 3.27Å; E23-K78 PolarHBondContact OE1-NZ 3.03Å
24E88.1Confident87.8Confident158 Ų15852.3 Ų52.374%0.73829%0.294SS*.SBendtrans-82.3139.9175.8-66.4-172.7177.100111.4S12 I22S12-E24 WeakPolarHBondContact CB-O 3.32Å; S12-E24 PolarHBondContact OG-O 3.13Å; I22-E24 HydrophobicContact CG2-CB 4.47Å; I22-E24 WeakPolarHBondContact CG2-O 3.35Å
25N91.2Very high87.1Confident55 Ų5553.7 Ų53.729%0.29430%0.304SS..  trans-65.9133.2175-75-14000110.8N11 S12 R27 S354N11-N25 WeakPolarHBondContact CA-OD1 3.15Å; S12-N25 PolarHBondContact N-OD1 3.4Å; N25-R27 PolarHBondContact O-N 3.18Å; N25-S354 WeakPolarHBondContact CB-O 3.19Å
26M92.3Very high86.3Confident33 Ų3361.5 Ų61.516%0.16334%0.339CS..EExtended strand (participates in β ladder)trans-88.2105.1-175-61.2-54.7-69.700110.2F9 G10 L17 L19 I22 T30F9-M26 HydrophobicContact CB-CB 4.49Å; F9-M26 WeakPolarHBondContact CB-O 3.2Å; G10-M26 PolarHBondContact N-O 3.28Å; G10-M26 PolarHBondContact O-N 3.18Å; L17-M26 HydrophobicContact CD1-CB 3.94Å; L17-M26 HydrophobicContact CD1-CG 3.56Å; L19-M26 HydrophobicContact CD1-CE 4.27Å; L19-M26 HydrophobicContact CD1-CG 3.75Å; L19-M26 HydrophobicContact CD1-SD 4.33Å; I22-M26 HydrophobicContact CD1-SD 4.3Å; I22-M26 HydrophobicContact CG2-SD 3.88Å; M26-T30 HydrophobicContact CE-CG2 3.76Å; M26-T30 WeakPolarHBondContact CE-OG1 3.38Å
27R92.1Very high85.7Confident101 Ų10166 Ų6638%0.38136%0.36SS..EExtended strand (participates in β ladder)trans-84.2-9.5179.5-68.8-177.7171.7-99.4-6.9114.7N25 G358 V362N25-R27 PolarHBondContact O-N 3.18Å; R27-G358 CarbonylContact O-C 3.53Å; R27-G358 VanDerWaalsContact O-C 3.28Å; R27-G358 WeakPolarHBondContact O-CA 3.34Å; R27-V362 PolarHBondContact NH1-O 3.31Å
28M91Very high85.2Confident118 Ų11866.3 Ų66.358%0.58136%0.361SS*.EExtended strand (participates in β ladder)trans-127.3148.4178.3-62.8-171.7-6300110.1T30 P360M28-T30 PolarHBondContact O-N 3.13Å; M28-T30 VanDerWaalsContact O-N 3.1Å; M28-T30 PolarHBondContact O-OG1 2.85Å; M28-P360 HydrophobicContact CG-CB 3.97Å; M28-P360 HydrophobicContact CG-CG 3.82Å; M28-P360 HydrophobicContact SD-CB 4.25Å; M28-P360 HydrophobicContact SD-CG 4Å
29A91.1Very high84.7Confident28 Ų2872.2 Ų72.223%0.23138%0.383CS..EExtended strand (participates in β ladder)trans-59.5114.417800000111.1L7 F9L7-A29 HydrophobicContact CB-CB 4.08Å; L7-A29 HydrophobicContact CD1-CB 3.98Å; F9-A29 HydrophobicContact CD1-CB 3.76Å; F9-A29 HydrophobicContact CE1-CB 4.03Å
30T91.9Very high84.5Confident43 Ų4374 Ų7426%0.26440%0.396SS..EExtended strand (participates in β ladder)trans-118.4130.8-174.2-580000110.5L7 A8 L19 M26 M28L7-T30 CarbonylContact C-O 3.55Å; L7-T30 WeakPolarHBondContact CA-O 3.17Å; A8-T30 PolarHBondContact N-O 2.94Å; A8-T30 PolarHBondContact O-N 3.1Å; L19-T30 HydrophobicContact CD1-CG2 4.35Å; L19-T30 HydrophobicContact CD2-CG2 4.24Å; M26-T30 HydrophobicContact CE-CG2 3.76Å; M26-T30 WeakPolarHBondContact CE-OG1 3.38Å; M28-T30 PolarHBondContact O-N 3.13Å; M28-T30 VanDerWaalsContact O-N 3.1Å; M28-T30 PolarHBondContact O-OG1 2.85Å
31A89.8Confident84.7Confident38 Ų3873.2 Ų73.231%0.31439%0.387SS..EExtended strand (participates in β ladder)trans-70.2134.2-177.700000112.2E5 V6 L7E5-A31 HydrophobicContact CG-CB 4.04Å; E5-A31 WeakPolarHBondContact OE1-CB 3.38Å; V6-A31 WeakPolarHBondContact O-CA 3.17Å; L7-A31 HydrophobicContact CD2-CB 3.78Å
32L89.3Confident85.2Confident7 Ų773.7 Ų73.74%0.03737%0.371CS..PPolyproline II helixtrans-69149166.4-88.869.3000109.8V6 A8 L19 L34 M38 F53 P80 F388V6-L32 HydrophobicContact CB-CB 4.45Å; V6-L32 HydrophobicContact CG1-CD1 4.18Å; V6-L32 HydrophobicContact CG1-CD2 4.28Å; V6-L32 PolarHBondContact O-N 3.12Å; A8-L32 HydrophobicContact CB-CD1 3.43Å; A8-L32 VanDerWaalsContact CB-CD1 3.43Å; L19-L32 HydrophobicContact CD2-CD1 3.81Å; L19-L32 HydrophobicContact CD2-CG 4.08Å; L32-L34 PolarHBondContact O-N 2.99Å; L32-L34 VanDerWaalsContact O-N 3.11Å; L32-M38 HydrophobicContact CD2-CE 3.94Å; L32-F53 HydrophobicContact CD2-CE1 4.2Å; L32-F53 HydrophobicContact CD2-CZ 4.08Å; L32-P80 HydrophobicContact CD2-CG 4.5Å; L32-F388 HydrophobicContact CD1-CE1 4.18Å
33P81.8Confident85.7Confident77 Ų7772.8 Ų72.850%0.537%0.366SS..PPolyproline II helixtrans-53.7119.9170.8-23.833.4000110.8T35P33-T35 VanDerWaalsContact C-N 3.34Å; P33-T35 PolarHBondContact O-N 3.48Å
34L70.1Confident86.5Confident84 Ų8466.1 Ų66.144%0.4434%0.335SS..  trans-7183.3-179.4-81.4154.2000111L32 R39L32-L34 PolarHBondContact O-N 2.99Å; L32-L34 VanDerWaalsContact O-N 3.11Å; L34-R39 HydrophobicContact CD2-CG 4.17Å
35T77.9Confident86.9Confident68 Ų6859.4 Ų59.442%0.41730%0.304SS..  trans-75.2156.9163.860.40000110.1P33 E37 M38 R39P33-T35 VanDerWaalsContact C-N 3.34Å; P33-T35 PolarHBondContact O-N 3.48Å; T35-E37 PolarHBondContact O-N 3.01Å; T35-M38 PolarHBondContact O-N 3.14Å; T35-M38 WeakPolarHBondContact OG1-CB 3.33Å; T35-M38 PolarHBondContact OG1-N 2.95Å; T35-R39 PolarHBondContact O-N 2.62Å
36E75.9Confident87.1Confident171 Ų17157.9 Ų57.980%0.79930%0.297SS*.THydrogen-bonded Turntrans-57.5-39.8175.4-75.8-169.6155.400111.8M38 R39E36-M38 PolarHBondContact O-N 3.13Å; E36-R39 WeakPolarHBondContact O-CB 3Å; E36-R39 PolarHBondContact O-N 2.92Å
37E81.2Confident87.2Confident97 Ų9756.5 Ų56.545%0.45329%0.292SS..G310 helixtrans-58.8-46.6176.8-63.9173.6174.800112.1T35 R39 C40 L55 L61T35-E37 PolarHBondContact O-N 3.01Å; E37-R39 PolarHBondContact O-N 2.82Å; E37-C40 PolarHBondContact O-N 3.5Å; E37-L55 HydrophobicContact CB-CD1 3.98Å; E37-L55 WeakPolarHBondContact O-CD2 3.33Å; E37-L61 HydrophobicContact CB-CD1 4.2Å
38M84.4Confident87.3Confident8 Ų856.8 Ų56.84%0.03929%0.293CS..G310 helixtrans-69.7-19.8-176.1-164.961.577.500112.9V6 L32 T35 E36 C40 C41 F53 L61 P80V6-M38 HydrophobicContact CB-CG 4.43Å; V6-M38 HydrophobicContact CG2-CG 3.81Å; V6-M38 HydrophobicContact CG2-SD 3.99Å; L32-M38 HydrophobicContact CD2-CE 3.94Å; T35-M38 PolarHBondContact O-N 3.14Å; T35-M38 WeakPolarHBondContact OG1-CB 3.33Å; T35-M38 PolarHBondContact OG1-N 2.95Å; E36-M38 PolarHBondContact O-N 3.13Å; M38-C40 PolarHBondContact O-N 2.85Å; M38-C41 VanDerWaalsContact O-CB 3.25Å; M38-C41 WeakPolarHBondContact O-CB 3.39Å; M38-C41 PolarHBondContact O-N 3.43Å; M38-C41 HydrophobicContact SD-CB 3.9Å; M38-F53 HydrophobicContact CE-CD1 3.75Å; M38-F53 HydrophobicContact CE-CD2 4.32Å; M38-F53 HydrophobicContact CE-CE1 3.85Å; M38-F53 HydrophobicContact CE-CE2 4.41Å; M38-F53 HydrophobicContact CE-CG 4.02Å; M38-F53 HydrophobicContact CE-CZ 4.19Å; M38-F53 HydrophobicContact SD-CD1 3.73Å; M38-F53 HydrophobicContact SD-CE1 4.11Å; M38-F53 HydrophobicContact SD-CG 4.34Å; M38-L61 HydrophobicContact CE-CD1 4.34Å; M38-P80 HydrophobicContact CE-CB 4.09Å; M38-P80 HydrophobicContact CE-CG 3.71Å
39R81.5Confident87.5Confident126 Ų12655 Ų5548%0.47528%0.282SS..G310 helixtrans-66.9-21.1172.5-68176.4179.5-98.8-0.4113L34 T35 E36 E37L34-R39 HydrophobicContact CD2-CG 4.17Å; T35-R39 PolarHBondContact O-N 2.62Å; E36-R39 WeakPolarHBondContact O-CB 3Å; E36-R39 PolarHBondContact O-N 2.92Å; E37-R39 PolarHBondContact O-N 2.82Å
40C85.8Confident87.7Confident58 Ų5853.7 Ų53.739%0.39227%0.271SS..G310 helixtrans-100.415.7177.5-60.60000111.7E37 M38 R42 L55 D56E37-C40 PolarHBondContact O-N 3.5Å; M38-C40 PolarHBondContact O-N 2.85Å; C40-R42 PolarHBondContact O-N 2.78Å; C40-L55 CarbonylContact O-C 3.29Å; C40-L55 VanDerWaalsContact O-CA 3.3Å; C40-L55 WeakPolarHBondContact O-CA 3.43Å; C40-D56 HydrophobicContact CB-CB 4.44Å; C40-D56 PolarHBondContact O-N 3.44Å
41C88.1Confident87.9Confident8 Ų851.6 Ų51.65%0.05426%0.258CS..EExtended strand (participates in β ladder)trans-64.1117.4178.4-176.30000110.4V6 M38 L55V6-C41 HydrophobicContact CG2-CB 4.43Å; M38-C41 VanDerWaalsContact O-CB 3.25Å; M38-C41 WeakPolarHBondContact O-CB 3.39Å; M38-C41 PolarHBondContact O-N 3.43Å; M38-C41 HydrophobicContact SD-CB 3.9Å; C41-L55 HydrophobicContact CB-CD2 4.25Å
42R87.9Confident88.2Confident64 Ų6449.9 Ų49.924%0.24224%0.244CC..EExtended strand (participates in β ladder)trans-89.8-51.7178.7-170.1175.673.1-168.32.1110.5C40 L54 D56 A92 R379C40-R42 PolarHBondContact O-N 2.78Å; R42-L54 WeakPolarHBondContact CA-O 3.41Å; R42-L54 VanDerWaalsContact CB-O 3.3Å; R42-L54 WeakPolarHBondContact CB-O 3.5Å; R42-L54 PolarHBondContact N-O 3.47Å; R42-D56 WeakPolarHBondContact CB-OD1 3.46Å; R42-A92 PolarHBondContact NH2-O 3.28Å; R42-R379 PolarHBondContact O-NH1 2.64Å
43E91.4Very high88.4Confident42 Ų4249.6 Ų49.620%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-140.8146.2-173.7-168.9171-164.500110.7I45 L54 F381E43-I45 HydrophobicContact CB-CD1 4.07Å; E43-I45 HydrophobicContact CG-CD1 3.84Å; E43-I45 HydrophobicContact CG-CG1 4.2Å; E43-L54 HydrophobicContact CB-CB 4.33Å; E43-L54 PolarHBondContact N-O 2.76Å; E43-L54 VanDerWaalsContact N-O 3.1Å; E43-L54 PolarHBondContact O-N 2.91Å; E43-F381 HydrophobicContact CG-CE1 4.01Å
44I95.1Very high89Confident5 Ų545.9 Ų45.93%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-119112.2175.8-51.9178.5000107.7V6 T51 F53 F381 F388V6-I44 HydrophobicContact CG1-CD1 3.7Å; I44-T51 HydrophobicContact CG2-CG2 3.46Å; I44-T51 VanDerWaalsContact CG2-CG2 3.46Å; I44-F53 HydrophobicContact CB-CD1 4.49Å; I44-F53 HydrophobicContact CD1-CD1 4.09Å; I44-F53 HydrophobicContact CD1-CE1 3.95Å; I44-F53 HydrophobicContact CG1-CD1 3.82Å; I44-F53 HydrophobicContact CG1-CE1 4.11Å; I44-F53 HydrophobicContact CG2-CD1 4.11Å; I44-F53 HydrophobicContact CG2-CE1 3.95Å; I44-F381 HydrophobicContact CB-CB 4.25Å; I44-F381 HydrophobicContact CB-CD1 4.18Å; I44-F381 HydrophobicContact CB-CD2 3.81Å; I44-F381 HydrophobicContact CB-CE2 4.14Å; I44-F381 HydrophobicContact CB-CG 3.82Å; I44-F381 HydrophobicContact CB-CZ 4.48Å; I44-F381 HydrophobicContact CD1-CD2 3.94Å; I44-F381 HydrophobicContact CD1-CE2 4.05Å; I44-F381 HydrophobicContact CG1-CD2 4Å; I44-F381 HydrophobicContact CG1-CE2 3.96Å; I44-F381 HydrophobicContact CG1-CG 4.5Å; I44-F381 HydrophobicContact CG1-CZ 4.44Å; I44-F381 WeakPolarHBondContact O-CD1 3.22Å; I44-F388 HydrophobicContact CD1-CB 3.73Å; I44-F388 HydrophobicContact CD1-CD1 4.06Å; I44-F388 HydrophobicContact CD1-CG 3.94Å; I44-F388 HydrophobicContact CG2-CD2 3.74Å; I44-F388 HydrophobicContact CG2-CE2 3.98Å; I44-F388 HydrophobicContact CG2-CG 4.06Å
45I95.5Very high90Very high17 Ų1742.1 Ų42.19%0.08720%0.199CC..EExtended strand (participates in β ladder)trans-102.8121.3-178.1-54.685.1000107.2E43 V52 L54 V94 C96E43-I45 HydrophobicContact CB-CD1 4.07Å; E43-I45 HydrophobicContact CG-CD1 3.84Å; E43-I45 HydrophobicContact CG-CG1 4.2Å; I45-V52 PolarHBondContact N-O 3.12Å; I45-V52 PolarHBondContact O-N 3.07Å; I45-L54 HydrophobicContact CD1-CB 4.02Å; I45-V94 HydrophobicContact CB-CG1 4.43Å; I45-V94 HydrophobicContact CD1-CB 3.92Å; I45-V94 HydrophobicContact CG1-CB 3.99Å; I45-V94 HydrophobicContact CG1-CG1 4.43Å; I45-V94 HydrophobicContact CG2-CG1 4.37Å; I45-C96 HydrophobicContact CG2-CB 3.94Å; I45-C96 VanDerWaalsContact CG2-SG 3.59Å
46C94.9Very high90.5Very high22 Ų2242.1 Ų42.115%0.14920%0.196CC..EExtended strand (participates in β ladder)trans-112.3121.6-173.4-56.80000109.5F386C46-F386 HydrophobicContact CB-CE2 3.7Å; C46-F386 HydrophobicContact CB-CZ 3.91Å
47G94.3Very high91.1Very high5 Ų538.9 Ų38.95%0.05218%0.184CC..  trans-82.9-159.9164.200000111.4H50 G97 G384G47-H50 PolarHBondContact N-O 3.39Å; G47-G97 WeakPolarHBondContact CA-O 3.19Å; G47-G384 PolarHBondContact O-N 3.3Å
48R94.5Very high91.5Very high107 Ų10734.5 Ų34.540%0.40417%0.165SC..SBendtrans-69.3-41.1178.9-171.4172.1176.7177.40.8113D98R48-D98 WeakPolarHBondContact CD-OD1 3.49Å; R48-D98 VanDerWaalsContact CD-OD2 3.3Å; R48-D98 WeakPolarHBondContact CD-OD2 3.33Å; R48-D98 IonicContact CZ-OD2 3.79Å; R48-D98 IonicContact NE-OD2 2.64Å; R48-D98 IonicContact NH1-OD2 2.75Å; R48-D98 PolarHBondContact NH1-OD2 3.4Å
49K94.5Very high91.8Very high80 Ų8036.8 Ų36.835%0.34818%0.179SC..SBendtrans-141.213.5-175.7-67.9178.4157.5-136.90113.5D14 Q16 N65D14-K49 HydrophobicContact CB-CB 4.5Å; D14-K49 IonicContact OD1-NZ 4Å; D14-K49 VanDerWaalsContact OD2-CD 3.31Å; D14-K49 WeakPolarHBondContact OD2-CD 3.41Å; D14-K49 WeakPolarHBondContact OD2-CE 3.3Å; D14-K49 IonicContact OD2-NZ 3.95Å; D14-K49 PolarHBondContact OD2-NZ 3.39Å; Q16-K49 WeakPolarHBondContact CB-O 3.31Å; K49-N65 HydrophobicContact CB-CB 3.65Å; K49-N65 WeakPolarHBondContact O-CB 3.09Å; K49-N65 PolarHBondContact O-N 2.84Å
50H95.3Very high92.4Very high0 Ų030.9 Ų30.90%016%0.157CC..EExtended strand (participates in β ladder)trans-138.1158.9177.268.7-69.1000110.7G47 C63 Q70 L71 T101G47-H50 PolarHBondContact N-O 3.39Å; H50-C63 WeakPolarHBondContact CA-O 3.22Å; H50-Q70 HydrophobicContact CB-CG 4.42Å; H50-L71 HydrophobicContact CB-CD2 3.74Å; H50-T101 PolarHBondContact NE2-OG1 3.48Å
51T96.8Very high92.7Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-133.7135.6-177.4-550000109.1Q16 I44 F53 A62 C63 F386 F388Q16-T51 WeakPolarHBondContact O-CB 3.18Å; Q16-T51 PolarHBondContact O-OG1 3.1Å; I44-T51 HydrophobicContact CG2-CG2 3.46Å; I44-T51 VanDerWaalsContact CG2-CG2 3.46Å; T51-F53 HydrophobicContact CG2-CD2 4.21Å; T51-F53 HydrophobicContact CG2-CE1 4.18Å; T51-F53 HydrophobicContact CG2-CE2 3.63Å; T51-F53 HydrophobicContact CG2-CZ 3.6Å; T51-A62 CarbonylContact O-C 3.41Å; T51-A62 WeakPolarHBondContact O-CA 3.24Å; T51-C63 PolarHBondContact N-O 2.82Å; T51-C63 PolarHBondContact O-N 2.61Å; T51-F386 VanDerWaalsContact OG1-CE2 3.27Å; T51-F386 WeakPolarHBondContact OG1-CE2 3.22Å; T51-F388 HydrophobicContact CG2-CE2 3.74Å; T51-F388 HydrophobicContact CG2-CZ 3.86Å
52V96.1Very high93.1Very high2 Ų227.8 Ų27.81%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-119.8127.5172.5-176.60000108.5I45 L60 L61 A62 V94 T101I45-V52 PolarHBondContact N-O 3.12Å; I45-V52 PolarHBondContact O-N 3.07Å; V52-L60 HydrophobicContact CG1-CB 4.34Å; V52-L60 HydrophobicContact CG1-CD1 4.42Å; V52-L60 HydrophobicContact CG1-CD2 4.17Å; V52-L61 CarbonylContact C-O 3.45Å; V52-L61 WeakPolarHBondContact CA-O 3.49Å; V52-A62 HydrophobicContact CG2-CB 4.27Å; V52-V94 HydrophobicContact CB-CG1 4.36Å; V52-V94 HydrophobicContact CG1-CG1 4.13Å; V52-V94 HydrophobicContact CG1-CG2 4.5Å; V52-T101 HydrophobicContact CG2-CG2 4.25Å
53F94.6Very high93.4Very high0 Ų024.8 Ų24.80%013%0.125CC..EExtended strand (participates in β ladder)trans-102.7126.7176-54.3-98.8000108.2L32 M38 I44 T51 L60 L61 P80 F388L32-F53 HydrophobicContact CD2-CE1 4.2Å; L32-F53 HydrophobicContact CD2-CZ 4.08Å; M38-F53 HydrophobicContact CE-CD1 3.75Å; M38-F53 HydrophobicContact CE-CD2 4.32Å; M38-F53 HydrophobicContact CE-CE1 3.85Å; M38-F53 HydrophobicContact CE-CE2 4.41Å; M38-F53 HydrophobicContact CE-CG 4.02Å; M38-F53 HydrophobicContact CE-CZ 4.19Å; M38-F53 HydrophobicContact SD-CD1 3.73Å; M38-F53 HydrophobicContact SD-CE1 4.11Å; M38-F53 HydrophobicContact SD-CG 4.34Å; I44-F53 HydrophobicContact CB-CD1 4.49Å; I44-F53 HydrophobicContact CD1-CD1 4.09Å; I44-F53 HydrophobicContact CD1-CE1 3.95Å; I44-F53 HydrophobicContact CG1-CD1 3.82Å; I44-F53 HydrophobicContact CG1-CE1 4.11Å; I44-F53 HydrophobicContact CG2-CD1 4.11Å; I44-F53 HydrophobicContact CG2-CE1 3.95Å; T51-F53 HydrophobicContact CG2-CD2 4.21Å; T51-F53 HydrophobicContact CG2-CE1 4.18Å; T51-F53 HydrophobicContact CG2-CE2 3.63Å; T51-F53 HydrophobicContact CG2-CZ 3.6Å; F53-L60 CarbonylContact O-C 3.6Å; F53-L60 WeakPolarHBondContact O-CA 3.32Å; F53-L61 HydrophobicContact CB-CB 4.17Å; F53-L61 HydrophobicContact CD2-CB 4.29Å; F53-L61 PolarHBondContact N-O 2.81Å; F53-L61 PolarHBondContact O-N 3.4Å; F53-P80 HydrophobicContact CD2-CB 4.19Å; F53-P80 HydrophobicContact CD2-CG 4.3Å; F53-P80 HydrophobicContact CE2-CB 4.13Å; F53-P80 HydrophobicContact CE2-CG 3.78Å; F53-P80 HydrophobicContact CZ-CG 4.23Å; F53-F388 HydrophobicContact CE1-CE1 4.21Å; F53-F388 HydrophobicContact CZ-CE1 4.11Å; F53-F388 HydrophobicContact CZ-CZ 4.14Å
54L93.3Very high93.5Very high0 Ų022.8 Ų22.80%012%0.116CC..EExtended strand (participates in β ladder)trans-103.7121.8174.6174.754.6000108.7R42 E43 I45 L60 V91R42-L54 WeakPolarHBondContact CA-O 3.41Å; R42-L54 VanDerWaalsContact CB-O 3.3Å; R42-L54 WeakPolarHBondContact CB-O 3.5Å; R42-L54 PolarHBondContact N-O 3.47Å; E43-L54 HydrophobicContact CB-CB 4.33Å; E43-L54 PolarHBondContact N-O 2.76Å; E43-L54 VanDerWaalsContact N-O 3.1Å; E43-L54 PolarHBondContact O-N 2.91Å; I45-L54 HydrophobicContact CD1-CB 4.02Å; L54-L60 HydrophobicContact CB-CD2 4.04Å; L54-L60 HydrophobicContact CD1-CD2 3.54Å; L54-L60 HydrophobicContact CG-CD2 4.32Å; L54-V91 HydrophobicContact CD1-CB 4.23Å; L54-V91 HydrophobicContact CD1-CG1 4.32Å; L54-V91 WeakPolarHBondContact CD1-O 3.39Å
55L91.4Very high93.5Very high5 Ų523.1 Ų23.13%0.02612%0.117CC..EExtended strand (participates in β ladder)trans-89.6161.9-179.3-53.5-172.6000111.5E37 C40 C41 N57 G58 T59 L61E37-L55 HydrophobicContact CB-CD1 3.98Å; E37-L55 WeakPolarHBondContact O-CD2 3.33Å; C40-L55 CarbonylContact O-C 3.29Å; C40-L55 VanDerWaalsContact O-CA 3.3Å; C40-L55 WeakPolarHBondContact O-CA 3.43Å; C41-L55 HydrophobicContact CB-CD2 4.25Å; L55-N57 WeakPolarHBondContact CB-OD1 3.23Å; L55-N57 PolarHBondContact O-N 3.2Å; L55-N57 VanDerWaalsContact O-N 3.14Å; L55-G58 PolarHBondContact O-N 3.42Å; L55-T59 HydrophobicContact CD1-CG2 4.45Å; L55-T59 PolarHBondContact N-O 3.2Å; L55-L61 HydrophobicContact CD1-CD1 4.34Å; L55-L61 HydrophobicContact CD1-CG 4.3Å; L55-L61 HydrophobicContact CD2-CD1 4.32Å
56D87.8Confident93.4Very high67 Ų6722.9 Ų22.936%0.35812%0.117SC..THydrogen-bonded Turntrans-57.9-26.7-179.3-84-19.9000113.3C40 R42 R405C40-D56 HydrophobicContact CB-CB 4.44Å; C40-D56 PolarHBondContact O-N 3.44Å; R42-D56 WeakPolarHBondContact CB-OD1 3.46Å; D56-R405 IonicContact OD1-NH1 3.6Å; D56-R405 IonicContact OD2-NH1 3.96Å
57N88.3Confident93.3Very high104 Ų10426.9 Ų26.956%0.55614%0.136SC*.THydrogen-bonded Turntrans-88.74.4177.770.9-16.8000114.2L55 T59L55-N57 WeakPolarHBondContact CB-OD1 3.23Å; L55-N57 PolarHBondContact O-N 3.2Å; L55-N57 VanDerWaalsContact O-N 3.14Å; N57-T59 PolarHBondContact ND2-OG1 3.5Å; N57-T59 VanDerWaalsContact OD1-CB 3.3Å; N57-T59 WeakPolarHBondContact OD1-CB 3.5Å; N57-T59 PolarHBondContact OD1-N 3Å; N57-T59 PolarHBondContact OD1-OG1 3.34Å; N57-T59 VanDerWaalsContact OD1-OG1 3.13Å
58G89.6Confident93.1Very high5 Ų529.8 Ų29.85%0.05215%0.148CC..SBendtrans81.85-178.200000115.3L55 V91L55-G58 PolarHBondContact O-N 3.42Å; G58-V91 WeakPolarHBondContact CA-O 3.37Å; G58-V91 WeakPolarHBondContact O-CB 3.38Å; G58-V91 PolarHBondContact O-N 3.21Å
59T91.9Very high93Very high55 Ų5525.2 Ų25.234%0.33713%0.132SC..  trans-74.1143.2171.7-56.90000110.9L55 N57L55-T59 HydrophobicContact CD1-CG2 4.45Å; L55-T59 PolarHBondContact N-O 3.2Å; N57-T59 PolarHBondContact ND2-OG1 3.5Å; N57-T59 VanDerWaalsContact OD1-CB 3.3Å; N57-T59 WeakPolarHBondContact OD1-CB 3.5Å; N57-T59 PolarHBondContact OD1-N 3Å; N57-T59 PolarHBondContact OD1-OG1 3.34Å; N57-T59 VanDerWaalsContact OD1-OG1 3.13Å
60L93.1Very high92.9Very high3 Ų321.5 Ų21.52%0.01612%0.116CC..EExtended strand (participates in β ladder)trans-105.2134.2175.7-59.9-174.8000111.2V52 F53 L54 P82 V83 F86 V91 V94 A103 W113V52-L60 HydrophobicContact CG1-CB 4.34Å; V52-L60 HydrophobicContact CG1-CD1 4.42Å; V52-L60 HydrophobicContact CG1-CD2 4.17Å; F53-L60 CarbonylContact O-C 3.6Å; F53-L60 WeakPolarHBondContact O-CA 3.32Å; L54-L60 HydrophobicContact CB-CD2 4.04Å; L54-L60 HydrophobicContact CD1-CD2 3.54Å; L54-L60 HydrophobicContact CG-CD2 4.32Å; L60-P82 CarbonylContact O-C 3.55Å; L60-P82 WeakPolarHBondContact O-CA 3.37Å; L60-V83 HydrophobicContact CB-CB 4.06Å; L60-V83 HydrophobicContact CB-CG2 4.03Å; L60-V83 PolarHBondContact O-N 3.41Å; L60-F86 HydrophobicContact CD1-CD2 4.15Å; L60-F86 HydrophobicContact CD1-CE2 4.05Å; L60-V91 HydrophobicContact CD1-CB 4.43Å; L60-V91 HydrophobicContact CD1-CG1 4.28Å; L60-V91 HydrophobicContact CD1-CG2 3.99Å; L60-V91 HydrophobicContact CD2-CB 4.12Å; L60-V91 HydrophobicContact CD2-CG1 4.02Å; L60-V91 HydrophobicContact CG-CB 4.2Å; L60-V91 HydrophobicContact CG-CG1 4.38Å; L60-V91 HydrophobicContact CG-CG2 4.05Å; L60-V94 HydrophobicContact CD1-CG2 3.95Å; L60-V94 HydrophobicContact CD2-CG2 3.53Å; L60-V94 HydrophobicContact CG-CG2 4.4Å; L60-A103 HydrophobicContact CD1-CB 4.47Å; L60-W113 HydrophobicContact CD1-CH2 4.28Å
61L93.1Very high92.8Very high1 Ų121.5 Ų21.51%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-112.1142.4163.2-48.4176.3000109.1E37 M38 V52 F53 L55 P80 R81 P82E37-L61 HydrophobicContact CB-CD1 4.2Å; M38-L61 HydrophobicContact CE-CD1 4.34Å; V52-L61 CarbonylContact C-O 3.45Å; V52-L61 WeakPolarHBondContact CA-O 3.49Å; F53-L61 HydrophobicContact CB-CB 4.17Å; F53-L61 HydrophobicContact CD2-CB 4.29Å; F53-L61 PolarHBondContact N-O 2.81Å; F53-L61 PolarHBondContact O-N 3.4Å; L55-L61 HydrophobicContact CD1-CD1 4.34Å; L55-L61 HydrophobicContact CD1-CG 4.3Å; L55-L61 HydrophobicContact CD2-CD1 4.32Å; L61-P80 HydrophobicContact CB-CB 3.94Å; L61-P80 HydrophobicContact CD1-CB 4.2Å; L61-R81 CarbonylContact C-O 3.55Å; L61-R81 VanDerWaalsContact CA-O 3.22Å; L61-R81 WeakPolarHBondContact CA-O 3.32Å; L61-P82 HydrophobicContact CD2-CB 4.15Å; L61-P82 HydrophobicContact CD2-CG 3.7Å
62A94.9Very high92.5Very high0 Ų022 Ų220%012%0.12CC..EExtended strand (participates in β ladder)trans-131.5152.9178.300000112.3T51 V52 L71 Y73 P80 R81 V83T51-A62 CarbonylContact O-C 3.41Å; T51-A62 WeakPolarHBondContact O-CA 3.24Å; V52-A62 HydrophobicContact CG2-CB 4.27Å; A62-L71 HydrophobicContact CB-CB 4.04Å; A62-L71 HydrophobicContact CB-CD2 3.98Å; A62-Y73 HydrophobicContact CB-CE1 4.2Å; A62-Y73 PolarHBondContact O-OH 2.82Å; A62-P80 WeakPolarHBondContact O-CA 3.43Å; A62-R81 PolarHBondContact N-O 2.73Å; A62-R81 PolarHBondContact O-N 2.91Å; A62-V83 HydrophobicContact CB-CG2 3.91Å
63C94.8Very high92.1Very high0 Ų022.7 Ų22.70%012%0.123CC..EExtended strand (participates in β ladder)trans-157.5164169.5620000112H50 T51 L71 R77H50-C63 WeakPolarHBondContact CA-O 3.22Å; T51-C63 PolarHBondContact N-O 2.82Å; T51-C63 PolarHBondContact O-N 2.61Å; C63-L71 WeakPolarHBondContact O-CD2 3.47Å; C63-R77 WeakPolarHBondContact CB-O 3.17Å
64G94.6Very high91.6Very high0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans115.7-151.9178.400000113.5D14 R77D14-G64 CarbonylContact O-C 3.58Å; D14-G64 WeakPolarHBondContact O-CA 3.4Å; G64-R77 PolarHBondContact N-O 2.88Å
65N94Very high91.1Very high12 Ų1230.9 Ų30.96%0.06417%0.171CC..  trans-61.6142.5176.4-175.1-74.9000110.8D14 K49 D67 Q70D14-N65 HydrophobicContact CB-CB 3.99Å; D14-N65 PolarHBondContact OD1-ND2 2.88Å; K49-N65 HydrophobicContact CB-CB 3.65Å; K49-N65 WeakPolarHBondContact O-CB 3.09Å; K49-N65 PolarHBondContact O-N 2.84Å; N65-D67 PolarHBondContact ND2-OD2 3.47Å; N65-D67 VanDerWaalsContact OD1-CG 3.29Å; N65-D67 PolarHBondContact OD1-N 2.81Å; N65-D67 PolarHBondContact OD1-OD2 2.62Å; N65-Q70 PolarHBondContact O-NE2 3.29Å; N65-Q70 VanDerWaalsContact O-NE2 3.15Å; N65-Q70 PolarHBondContact OD1-NE2 2.7Å
66N94Very high90.5Very high13 Ų1335.5 Ų35.57%0.0720%0.201CC..  trans-141.229.8-177.6-156.328.3000113.1F68 C69 Q70 L71 Y73 G75N66-F68 PolarHBondContact O-N 2.97Å; N66-F68 VanDerWaalsContact O-N 3.13Å; N66-C69 PolarHBondContact O-N 3.47Å; N66-C69 VanDerWaalsContact O-N 3.13Å; N66-C69 WeakPolarHBondContact OD1-CA 3.19Å; N66-Q70 VanDerWaalsContact C-OE1 3.3Å; N66-Q70 PolarHBondContact OD1-N 3.29Å; N66-Q70 VanDerWaalsContact OD1-N 3.13Å; N66-L71 HydrophobicContact CB-CD1 3.66Å; N66-L71 HydrophobicContact CB-CG 3.84Å; N66-L71 WeakPolarHBondContact OD1-CB 3.28Å; N66-L71 WeakPolarHBondContact OD1-CG 3.38Å; N66-L71 PolarHBondContact OD1-N 2.91Å; N66-Y73 PolarHBondContact ND2-O 3.33Å; N66-G75 PolarHBondContact ND2-N 3.37Å; N66-G75 PolarHBondContact ND2-O 3.48Å
67D92Very high90.5Very high106 Ų10638.1 Ų38.157%0.56721%0.206SC*.THydrogen-bonded Turntrans-59.8-26.8-174.7-65-23000112.9N65N65-D67 PolarHBondContact ND2-OD2 3.47Å; N65-D67 VanDerWaalsContact OD1-CG 3.29Å; N65-D67 PolarHBondContact OD1-N 2.81Å; N65-D67 PolarHBondContact OD1-OD2 2.62Å
68F91.1Very high90.5Very high65 Ų6536.7 Ų36.729%0.28520%0.195SC..THydrogen-bonded Turntrans-116.817.9-179.5-58.2-87.6000113N66 Q70 A99 G114N66-F68 PolarHBondContact O-N 2.97Å; N66-F68 VanDerWaalsContact O-N 3.13Å; F68-Q70 PolarHBondContact O-N 3.03Å; F68-A99 HydrophobicContact CD2-CB 3.63Å; F68-A99 HydrophobicContact CE2-CB 4.04Å; F68-A99 HydrophobicContact CG-CB 4.37Å; F68-G114 CarbonylContact O-C 3.6Å; F68-G114 VanDerWaalsContact O-CA 3.25Å; F68-G114 WeakPolarHBondContact O-CA 3.47Å
69C91.8Very high90.6Very high11 Ų1142.6 Ų42.67%0.07422%0.219CC..SBendtrans62.621.9-174.2-59.60000113.9N66 L71 G72 L136N66-C69 PolarHBondContact O-N 3.47Å; N66-C69 VanDerWaalsContact O-N 3.13Å; N66-C69 WeakPolarHBondContact OD1-CA 3.19Å; C69-L71 PolarHBondContact O-N 3.38Å; C69-G72 PolarHBondContact O-N 3.34Å; C69-L136 HydrophobicContact CB-CD1 4.35Å
70Q93.2Very high90.6Very high2 Ų241.7 Ų41.71%0.00922%0.215CC..THydrogen-bonded Turntrans-64.7-11.1-177.968-90.633.300114.7H50 N65 N66 F68 G72 A99 T101 W113H50-Q70 HydrophobicContact CB-CG 4.42Å; N65-Q70 PolarHBondContact O-NE2 3.29Å; N65-Q70 VanDerWaalsContact O-NE2 3.15Å; N65-Q70 PolarHBondContact OD1-NE2 2.7Å; N66-Q70 VanDerWaalsContact C-OE1 3.3Å; N66-Q70 PolarHBondContact OD1-N 3.29Å; N66-Q70 VanDerWaalsContact OD1-N 3.13Å; F68-Q70 PolarHBondContact O-N 3.03Å; Q70-G72 VanDerWaalsContact C-N 3.29Å; Q70-A99 WeakPolarHBondContact CB-O 3.3Å; Q70-T101 PolarHBondContact O-OG1 2.82Å; Q70-W113 PolarHBondContact O-NE1 3.46Å
71L92.8Very high90.5Very high1 Ų145.6 Ų45.61%0.00523%0.229CC..THydrogen-bonded Turntrans-78.7-9.1170.1-56.5-176.3000113.5H50 A62 C63 N66 C69 Y73 V83H50-L71 HydrophobicContact CB-CD2 3.74Å; A62-L71 HydrophobicContact CB-CB 4.04Å; A62-L71 HydrophobicContact CB-CD2 3.98Å; C63-L71 WeakPolarHBondContact O-CD2 3.47Å; N66-L71 HydrophobicContact CB-CD1 3.66Å; N66-L71 HydrophobicContact CB-CG 3.84Å; N66-L71 WeakPolarHBondContact OD1-CB 3.28Å; N66-L71 WeakPolarHBondContact OD1-CG 3.38Å; N66-L71 PolarHBondContact OD1-N 2.91Å; C69-L71 PolarHBondContact O-N 3.38Å; L71-Y73 HydrophobicContact CB-CD2 4.36Å; L71-Y73 HydrophobicContact CB-CE1 4.09Å; L71-Y73 HydrophobicContact CB-CE2 3.84Å; L71-Y73 HydrophobicContact CD1-CE2 3.84Å; L71-Y73 WeakPolarHBondContact O-CD1 3.36Å; L71-Y73 WeakPolarHBondContact O-CE1 3.4Å; L71-V83 WeakPolarHBondContact O-CG2 3.39Å
72G90Very high90.3Very high9 Ų947.4 Ų47.49%0.09324%0.241CC..SBendtrans83.610.6-179.900000114.7C69 Q70 W113C69-G72 PolarHBondContact O-N 3.34Å; Q70-G72 VanDerWaalsContact C-N 3.29Å; G72-W113 VanDerWaalsContact N-NE1 3.19Å
73Y87.9Confident90.1Very high17 Ų1747.8 Ų47.87%0.06724%0.243CC..SBendtrans-154.2173.4175.251.8-108.4000110.4A62 N66 L71 R77 R81 V83A62-Y73 HydrophobicContact CB-CE1 4.2Å; A62-Y73 PolarHBondContact O-OH 2.82Å; N66-Y73 PolarHBondContact ND2-O 3.33Å; L71-Y73 HydrophobicContact CB-CD2 4.36Å; L71-Y73 HydrophobicContact CB-CE1 4.09Å; L71-Y73 HydrophobicContact CB-CE2 3.84Å; L71-Y73 HydrophobicContact CD1-CE2 3.84Å; L71-Y73 WeakPolarHBondContact O-CD1 3.36Å; L71-Y73 WeakPolarHBondContact O-CE1 3.4Å; Y73-R77 HydrophobicContact CE2-CB 4.42Å; Y73-R77 HydrophobicContact CE2-CG 3.73Å; Y73-R81 HydrophobicContact CE1-CB 4.03Å; Y73-R81 HydrophobicContact CE1-CG 4.19Å; Y73-V83 HydrophobicContact CD1-CG2 4.46Å; Y73-V83 HydrophobicContact CE1-CG2 4.32Å
74E84Confident89.5Confident136 Ų13653.2 Ų53.264%0.63627%0.272SS*.SBendtrans-80.5144.8177.9-68.7-172.317400114.4L136E74-L136 HydrophobicContact CG-CD1 3.36Å; E74-L136 HydrophobicContact CG-CD2 3.98Å; E74-L136 HydrophobicContact CG-CG 4.23Å
75G82.7Confident88.7Confident36 Ų3656 Ų5637%0.37129%0.291SS..SBendtrans84.8145.7172.900000114.2N66N66-G75 PolarHBondContact ND2-N 3.37Å; N66-G75 PolarHBondContact ND2-O 3.48Å
76P80Confident88Confident102 Ų10256.6 Ų56.666%0.66229%0.294SS*.  trans-69.3152.9175.630.4-35000110.9
77R86.7Confident86.9Confident122 Ų12260.8 Ų60.846%0.4633%0.33SS..EExtended strand (participates in β ladder)trans-141126.7179.2-73.5-65.6-175.91661111.6C63 G64 Y73C63-R77 WeakPolarHBondContact CB-O 3.17Å; G64-R77 PolarHBondContact N-O 2.88Å; Y73-R77 HydrophobicContact CE2-CB 4.42Å; Y73-R77 HydrophobicContact CE2-CG 3.73Å
78K89.3Confident86.1Confident74 Ų7459.8 Ų59.832%0.32234%0.344SS..EExtended strand (participates in β ladder)trans-87.6-2.1175.2-58.1-169.3176-171.90114.2G18 G20 E23G18-K78 CarbonylContact C-O 3.24Å; G18-K78 VanDerWaalsContact C-O 3.29Å; G18-K78 WeakPolarHBondContact CA-O 3.36Å; G20-K78 VanDerWaalsContact CA-O 3.28Å; G20-K78 WeakPolarHBondContact CA-O 3.34Å; G20-K78 PolarHBondContact N-O 3.28Å; E23-K78 IonicContact OE1-NZ 3.27Å; E23-K78 PolarHBondContact OE1-NZ 3.03Å
79K90.5Very high85.9Confident130 Ų13058.2 Ų58.257%0.56534%0.342SS*.EExtended strand (participates in β ladder)trans-129.9146.9176.1-67.8-174.2178.9-177.60109.6R81K79-R81 PolarHBondContact O-N 3.32Å
80P92.1Very high85.8Confident36 Ų3660.2 Ų60.223%0.23435%0.354CS..EExtended strand (participates in β ladder)trans-57133.6177.3-23.734.5000111.6G18 L32 M38 F53 L61 A62G18-P80 WeakPolarHBondContact O-CD 3.36Å; L32-P80 HydrophobicContact CD2-CG 4.5Å; M38-P80 HydrophobicContact CE-CB 4.09Å; M38-P80 HydrophobicContact CE-CG 3.71Å; F53-P80 HydrophobicContact CD2-CB 4.19Å; F53-P80 HydrophobicContact CD2-CG 4.3Å; F53-P80 HydrophobicContact CE2-CB 4.13Å; F53-P80 HydrophobicContact CE2-CG 3.78Å; F53-P80 HydrophobicContact CZ-CG 4.23Å; L61-P80 HydrophobicContact CB-CB 3.94Å; L61-P80 HydrophobicContact CD1-CB 4.2Å; A62-P80 WeakPolarHBondContact O-CA 3.43Å
81R90.7Very high85.8Confident85 Ų8560.1 Ų60.132%0.32135%0.354SS..EExtended strand (participates in β ladder)trans-132.1141.9177.6-179.9-169.5172.1173.11.8110.5L61 A62 Y73 K79L61-R81 CarbonylContact C-O 3.55Å; L61-R81 VanDerWaalsContact CA-O 3.22Å; L61-R81 WeakPolarHBondContact CA-O 3.32Å; A62-R81 PolarHBondContact N-O 2.73Å; A62-R81 PolarHBondContact O-N 2.91Å; Y73-R81 HydrophobicContact CE1-CB 4.03Å; Y73-R81 HydrophobicContact CE1-CG 4.19Å; K79-R81 PolarHBondContact O-N 3.32Å
82P89.9Confident85.7Confident38 Ų3860.6 Ų60.625%0.24736%0.358CS..EExtended strand (participates in β ladder)trans-53.6140.8172.4-2634.5000114.4L60 L61L60-P82 CarbonylContact O-C 3.55Å; L60-P82 WeakPolarHBondContact O-CA 3.37Å; L61-P82 HydrophobicContact CD2-CB 4.15Å; L61-P82 HydrophobicContact CD2-CG 3.7Å
83V90.3Very high85.9Confident9 Ų962.2 Ų62.26%0.05536%0.363CS..  trans-97.9101.8168.9-173.50000108.2L60 A62 L71 Y73 S85 F86L60-V83 HydrophobicContact CB-CB 4.06Å; L60-V83 HydrophobicContact CB-CG2 4.03Å; L60-V83 PolarHBondContact O-N 3.41Å; A62-V83 HydrophobicContact CB-CG2 3.91Å; L71-V83 WeakPolarHBondContact O-CG2 3.39Å; Y73-V83 HydrophobicContact CD1-CG2 4.46Å; Y73-V83 HydrophobicContact CE1-CG2 4.32Å; V83-S85 PolarHBondContact O-N 2.94Å; V83-F86 HydrophobicContact CG1-CE2 4.42Å
84D81.6Confident86.3Confident114 Ų11461.6 Ų61.661%0.6136%0.361SS*.G310 helixtrans-76.1-3.7-168.5-59.3-41.8000114.2F86D84-F86 PolarHBondContact O-N 3.2Å
85S77.9Confident86.8Confident57 Ų5755.6 Ų55.640%0.39933%0.334SS..G310 helixtrans-65.7-17.1-174.7-50.60000115.2V83V83-S85 PolarHBondContact O-N 2.94Å
86F79.4Confident87.5Confident26 Ų2654.6 Ų54.611%0.11432%0.322CS..G310 helixtrans-110.524.1-171.9-62.2-76.6000113.9L60 V83 D84 G88 S89 V91 A103 T105 H111 W113L60-F86 HydrophobicContact CD1-CD2 4.15Å; L60-F86 HydrophobicContact CD1-CE2 4.05Å; V83-F86 HydrophobicContact CG1-CE2 4.42Å; D84-F86 PolarHBondContact O-N 3.2Å; F86-G88 PolarHBondContact O-N 3Å; F86-S89 PolarHBondContact O-N 3.23Å; F86-S89 VanDerWaalsContact O-N 3.12Å; F86-V91 HydrophobicContact CB-CG2 4.03Å; F86-V91 HydrophobicContact CD1-CG2 3.87Å; F86-V91 HydrophobicContact CD2-CG2 3.91Å; F86-V91 HydrophobicContact CE1-CG2 4.35Å; F86-V91 HydrophobicContact CE2-CG2 4.39Å; F86-V91 HydrophobicContact CG-CG2 3.64Å; F86-A103 HydrophobicContact CE1-CB 4.31Å; F86-A103 HydrophobicContact CE2-CB 4.34Å; F86-A103 HydrophobicContact CZ-CB 3.83Å; F86-T105 HydrophobicContact CD1-CG2 4.01Å; F86-T105 HydrophobicContact CE1-CG2 4.21Å; F86-H111 HydrophobicContact CE1-CB 3.87Å; F86-H111 AromaticContact CE1-CD2 3.81Å; F86-H111 AromaticContact CE1-CG 3.83Å; F86-H111 HydrophobicContact CZ-CB 3.99Å; F86-W113 AromaticContact CE2-CH2 3.6Å; F86-W113 HydrophobicContact CE2-CH2 3.6Å; F86-W113 HydrophobicContact CE2-CZ2 4.45Å; F86-W113 AromaticContact CE2-CZ3 3.83Å; F86-W113 HydrophobicContact CE2-CZ3 3.83Å; F86-W113 HydrophobicContact CZ-CE3 4.42Å; F86-W113 AromaticContact CZ-CH2 3.74Å; F86-W113 HydrophobicContact CZ-CH2 3.74Å; F86-W113 AromaticContact CZ-CZ3 3.49Å; F86-W113 HydrophobicContact CZ-CZ3 3.49Å; F86-W113 VanDerWaalsContact CZ-CZ3 3.49Å
87A70.7Confident88.2Confident101 Ų10150 Ų5084%0.83529%0.293SS*.THydrogen-bonded Turntrans-58.8107179.100000111.4
88G76.6Confident88.6Confident84 Ų8446.1 Ų46.187%0.86628%0.281SS*.THydrogen-bonded Turntrans100.6-11.5178.800000116F86F86-G88 PolarHBondContact O-N 3Å
89S85.7Confident88.9Confident33 Ų3343.5 Ų43.523%0.23127%0.273CS..SBendtrans-121.893173.1-168.90000109.6F86 T105F86-S89 PolarHBondContact O-N 3.23Å; F86-S89 VanDerWaalsContact O-N 3.12Å; S89-T105 WeakPolarHBondContact OG-CB 3.49Å; S89-T105 WeakPolarHBondContact OG-CG2 3.49Å
90P90Very high89.1Confident53 Ų5337.3 Ų37.334%0.34425%0.246SC..  trans-59.8140.5-175-20.631.1000111.9T105 D106P90-T105 CarbonylContact O-C 3.18Å; P90-T105 WeakPolarHBondContact O-CA 3.23Å; P90-D106 WeakPolarHBondContact CB-OD2 3.35Å; P90-D106 PolarHBondContact O-N 3.2Å
91V92.7Very high89.2Confident0 Ų035.6 Ų35.60%024%0.235CC..EExtended strand (participates in β ladder)trans-83.8127.8179.4179.60000110.6L54 G58 L60 F86 Q93 V94 A103 L104L54-V91 HydrophobicContact CD1-CB 4.23Å; L54-V91 HydrophobicContact CD1-CG1 4.32Å; L54-V91 WeakPolarHBondContact CD1-O 3.39Å; G58-V91 WeakPolarHBondContact CA-O 3.37Å; G58-V91 WeakPolarHBondContact O-CB 3.38Å; G58-V91 PolarHBondContact O-N 3.21Å; L60-V91 HydrophobicContact CD1-CB 4.43Å; L60-V91 HydrophobicContact CD1-CG1 4.28Å; L60-V91 HydrophobicContact CD1-CG2 3.99Å; L60-V91 HydrophobicContact CD2-CB 4.12Å; L60-V91 HydrophobicContact CD2-CG1 4.02Å; L60-V91 HydrophobicContact CG-CB 4.2Å; L60-V91 HydrophobicContact CG-CG1 4.38Å; L60-V91 HydrophobicContact CG-CG2 4.05Å; F86-V91 HydrophobicContact CB-CG2 4.03Å; F86-V91 HydrophobicContact CD1-CG2 3.87Å; F86-V91 HydrophobicContact CD2-CG2 3.91Å; F86-V91 HydrophobicContact CE1-CG2 4.35Å; F86-V91 HydrophobicContact CE2-CG2 4.39Å; F86-V91 HydrophobicContact CG-CG2 3.64Å; V91-Q93 WeakPolarHBondContact CG1-O 3.36Å; V91-V94 HydrophobicContact CG1-CG2 3.69Å; V91-A103 HydrophobicContact CG1-CB 3.95Å; V91-A103 HydrophobicContact CG2-CB 4.41Å; V91-L104 WeakPolarHBondContact CG1-O 3.4Å
92A91.4Very high89.4Confident10 Ų1031.6 Ų31.68%0.08322%0.22CC..EExtended strand (participates in β ladder)trans-87.2-41.717900000113.3R42 L104 D106R42-A92 PolarHBondContact NH2-O 3.28Å; A92-L104 WeakPolarHBondContact CA-O 3.49Å; A92-L104 HydrophobicContact CB-CG 4.37Å; A92-L104 WeakPolarHBondContact CB-O 3.44Å; A92-L104 PolarHBondContact N-O 3.07Å; A92-D106 VanDerWaalsContact CB-OD1 3.28Å; A92-D106 WeakPolarHBondContact CB-OD1 3.41Å
93Q94.1Very high89.7Confident44 Ų4429.8 Ų29.821%0.20621%0.208CC..EExtended strand (participates in β ladder)trans-150.1151.5-177.6-164.3-1681.300109.6V91 L104 V149V91-Q93 WeakPolarHBondContact CG1-O 3.36Å; Q93-L104 HydrophobicContact CB-CB 4.15Å; Q93-L104 HydrophobicContact CB-CD2 4.24Å; Q93-L104 PolarHBondContact N-O 3.34Å; Q93-L104 PolarHBondContact O-N 3.34Å; Q93-V149 HydrophobicContact CB-CG2 4.41Å; Q93-V149 HydrophobicContact CG-CG2 4.35Å; Q93-V149 PolarHBondContact NE2-O 3.06Å; Q93-V149 VanDerWaalsContact NE2-O 3.09Å
94V95.3Very high89.8Confident4 Ų429.4 Ų29.42%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-128.6148.1171.7-179.10000109.3I45 V52 L60 V91 T101 V102 A103I45-V94 HydrophobicContact CB-CG1 4.43Å; I45-V94 HydrophobicContact CD1-CB 3.92Å; I45-V94 HydrophobicContact CG1-CB 3.99Å; I45-V94 HydrophobicContact CG1-CG1 4.43Å; I45-V94 HydrophobicContact CG2-CG1 4.37Å; V52-V94 HydrophobicContact CB-CG1 4.36Å; V52-V94 HydrophobicContact CG1-CG1 4.13Å; V52-V94 HydrophobicContact CG1-CG2 4.5Å; L60-V94 HydrophobicContact CD1-CG2 3.95Å; L60-V94 HydrophobicContact CD2-CG2 3.53Å; L60-V94 HydrophobicContact CG-CG2 4.4Å; V91-V94 HydrophobicContact CG1-CG2 3.69Å; V94-T101 HydrophobicContact CG1-CG2 3.68Å; V94-V102 CarbonylContact C-O 3.07Å; V94-V102 VanDerWaalsContact CA-O 3.32Å; V94-V102 WeakPolarHBondContact CA-O 3.43Å; V94-V102 WeakPolarHBondContact CG1-O 3.27Å; V94-A103 HydrophobicContact CG2-CB 4.36Å
95A96.4Very high90.3Very high9 Ų924 Ų247%0.07418%0.177CC..EExtended strand (participates in β ladder)trans-131.9141.1166.700000109.4V102 V149 C151A95-V102 PolarHBondContact N-O 2.77Å; A95-V102 PolarHBondContact O-N 2.88Å; A95-V149 HydrophobicContact CB-CG2 4.18Å; A95-C151 HydrophobicContact CB-CB 4.01Å; A95-C151 VanDerWaalsContact CB-SG 3.52Å
96C96.4Very high90.8Very high16 Ų1624.7 Ų24.711%0.10818%0.176CC..EExtended strand (participates in β ladder)trans-120.1134178.6-66.50000109.6I45I45-C96 HydrophobicContact CG2-CB 3.94Å; I45-C96 VanDerWaalsContact CG2-SG 3.59Å
97G95.4Very high91Very high5 Ų527.3 Ų27.35%0.05219%0.192CC..  trans-96.3-151166.900000112.4G47 H100 G152G47-G97 WeakPolarHBondContact CA-O 3.19Å; G97-H100 PolarHBondContact N-O 2.91Å; G97-G152 WeakPolarHBondContact CA-O 3.43Å
98D94.7Very high91.8Very high41 Ų4122.7 Ų22.722%0.21915%0.153CC..SBendtrans-66.7-44.2-177.9-11131.3000112R48 N153R48-D98 WeakPolarHBondContact CD-OD1 3.49Å; R48-D98 VanDerWaalsContact CD-OD2 3.3Å; R48-D98 WeakPolarHBondContact CD-OD2 3.33Å; R48-D98 IonicContact CZ-OD2 3.79Å; R48-D98 IonicContact NE-OD2 2.64Å; R48-D98 IonicContact NH1-OD2 2.75Å; R48-D98 PolarHBondContact NH1-OD2 3.4Å; D98-N153 HydrophobicContact CB-CB 4.26Å; D98-N153 PolarHBondContact N-O 2.94Å; D98-N153 PolarHBondContact OD1-ND2 3.38Å; D98-N153 PolarHBondContact OD1-OD1 3.19Å
99A94.6Very high92.4Very high18 Ų1821.3 Ų21.315%0.14912%0.124CC..SBendtrans-148.928-176.900000112.6F68 Q70 S115F68-A99 HydrophobicContact CD2-CB 3.63Å; F68-A99 HydrophobicContact CE2-CB 4.04Å; F68-A99 HydrophobicContact CG-CB 4.37Å; Q70-A99 WeakPolarHBondContact CB-O 3.3Å; A99-S115 PolarHBondContact O-N 3.49Å
100H94.6Very high92.7Very high1 Ų119.7 Ų19.71%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-141.3158.8175.471.5-80.2000110.4G97 W113 Q120 L121 N153 C156G97-H100 PolarHBondContact N-O 2.91Å; H100-W113 WeakPolarHBondContact CA-O 3.49Å; H100-Q120 HydrophobicContact CB-CG 4.32Å; H100-L121 HydrophobicContact CB-CD2 4.25Å; H100-N153 PolarHBondContact CE1-O 3.04Å; H100-N153 PolarHBondContact ND1-O 3.09Å; H100-C156 PolarHBondContact NE2-SG 3.49Å
101T95.6Very high92.8Very high0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-133.1137.2-179-58.30000109H50 V52 Q70 V94 S112 W113H50-T101 PolarHBondContact NE2-OG1 3.48Å; V52-T101 HydrophobicContact CG2-CG2 4.25Å; Q70-T101 PolarHBondContact O-OG1 2.82Å; V94-T101 HydrophobicContact CG1-CG2 3.68Å; T101-S112 WeakPolarHBondContact O-CA 3.45Å; T101-W113 HydrophobicContact CG2-CH2 3.82Å; T101-W113 HydrophobicContact CG2-CZ2 3.38Å; T101-W113 PolarHBondContact N-O 3.33Å; T101-W113 PolarHBondContact O-N 2.86Å
102V95.3Very high92.8Very high1 Ų118.6 Ų18.61%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-121.6128.4175.5179.30000108.4V94 A95 V110 H111 V149 C151V94-V102 CarbonylContact C-O 3.07Å; V94-V102 VanDerWaalsContact CA-O 3.32Å; V94-V102 WeakPolarHBondContact CA-O 3.43Å; V94-V102 WeakPolarHBondContact CG1-O 3.27Å; A95-V102 PolarHBondContact N-O 2.77Å; A95-V102 PolarHBondContact O-N 2.88Å; V102-V110 HydrophobicContact CG1-CG1 3.5Å; V102-V110 VanDerWaalsContact CG1-CG1 3.5Å; V102-H111 CarbonylContact C-O 3.51Å; V102-H111 WeakPolarHBondContact CA-O 3.28Å; V102-V149 HydrophobicContact CG1-CB 4.22Å; V102-V149 HydrophobicContact CG1-CG1 4.14Å; V102-V149 HydrophobicContact CG1-CG2 4.41Å; V102-C151 VanDerWaalsContact CG2-SG 3.57Å
103A94.5Very high92.9Very high0 Ų018.3 Ų18.30%010%0.1CC..EExtended strand (participates in β ladder)trans-114.7138.9173.900000110.6L60 F86 V91 V94 V110 H111 W113L60-A103 HydrophobicContact CD1-CB 4.47Å; F86-A103 HydrophobicContact CE1-CB 4.31Å; F86-A103 HydrophobicContact CE2-CB 4.34Å; F86-A103 HydrophobicContact CZ-CB 3.83Å; V91-A103 HydrophobicContact CG1-CB 3.95Å; V91-A103 HydrophobicContact CG2-CB 4.41Å; V94-A103 HydrophobicContact CG2-CB 4.36Å; A103-V110 WeakPolarHBondContact O-CA 3.43Å; A103-H111 PolarHBondContact N-O 3.32Å; A103-H111 PolarHBondContact O-N 3.01Å; A103-W113 HydrophobicContact CB-CH2 3.69Å; A103-W113 HydrophobicContact CB-CZ3 3.75Å
104L93.6Very high92.9Very high0 Ų016.3 Ų16.30%09%0.091CC..EExtended strand (participates in β ladder)trans-106.5121.2170.8172.161.7000107.9V91 A92 Q93 H109 V110 I146 V147 V149V91-L104 WeakPolarHBondContact CG1-O 3.4Å; A92-L104 WeakPolarHBondContact CA-O 3.49Å; A92-L104 HydrophobicContact CB-CG 4.37Å; A92-L104 WeakPolarHBondContact CB-O 3.44Å; A92-L104 PolarHBondContact N-O 3.07Å; Q93-L104 HydrophobicContact CB-CB 4.15Å; Q93-L104 HydrophobicContact CB-CD2 4.24Å; Q93-L104 PolarHBondContact N-O 3.34Å; Q93-L104 PolarHBondContact O-N 3.34Å; L104-H109 WeakPolarHBondContact CA-O 3.38Å; L104-H109 WeakPolarHBondContact CD1-O 3.22Å; L104-V110 HydrophobicContact CD1-CG2 4.1Å; L104-I146 HydrophobicContact CD1-CB 3.74Å; L104-I146 HydrophobicContact CD1-CG2 3.81Å; L104-I146 HydrophobicContact CD2-CG2 4.19Å; L104-V147 VanDerWaalsContact CD2-C 3.48Å; L104-V147 WeakPolarHBondContact CD2-O 3.34Å; L104-V149 HydrophobicContact CB-CG1 4.15Å; L104-V149 HydrophobicContact CB-CG2 4.03Å
105T91.8Very high92.7Very high0 Ų016.4 Ų16.40%09%0.092CC..EExtended strand (participates in β ladder)trans-82.1163.4177.449.40000112.1F86 S89 P90 D107 G108 H109 R410F86-T105 HydrophobicContact CD1-CG2 4.01Å; F86-T105 HydrophobicContact CE1-CG2 4.21Å; S89-T105 WeakPolarHBondContact OG-CB 3.49Å; S89-T105 WeakPolarHBondContact OG-CG2 3.49Å; P90-T105 CarbonylContact O-C 3.18Å; P90-T105 WeakPolarHBondContact O-CA 3.23Å; T105-D107 WeakPolarHBondContact CB-OD1 3.31Å; T105-D107 PolarHBondContact O-N 3.39Å; T105-D107 PolarHBondContact OG1-OD1 3.46Å; T105-G108 PolarHBondContact O-N 2.95Å; T105-H109 PolarHBondContact N-O 2.95Å; T105-H109 WeakPolarHBondContact OG1-CB 3.48Å; T105-H109 PolarHBondContact OG1-N 3.33Å; T105-H109 PolarHBondContact OG1-O 2.91Å; T105-H109 VanDerWaalsContact OG1-O 3.08Å; T105-R410 PolarHBondContact O-NH1 3.01Å
106D87.6Confident92.5Very high72 Ų7218.2 Ų18.239%0.38510%0.101SC..THydrogen-bonded Turntrans-62.8-28.3-175.1-93.1-16.8000113.5P90 A92 G108 R410P90-D106 WeakPolarHBondContact CB-OD2 3.35Å; P90-D106 PolarHBondContact O-N 3.2Å; A92-D106 VanDerWaalsContact CB-OD1 3.28Å; A92-D106 WeakPolarHBondContact CB-OD1 3.41Å; D106-G108 VanDerWaalsContact C-N 3.33Å; D106-R410 PolarHBondContact O-NH1 3.37Å; D106-R410 PolarHBondContact O-NH2 3.39Å; D106-R410 IonicContact OD1-CZ 3.36Å; D106-R410 IonicContact OD1-NH2 3.51Å; D106-R410 PolarHBondContact OD1-NH2 2.93Å
107D85.1Confident92.2Very high82 Ų8222 Ų2244%0.43912%0.12SC..THydrogen-bonded Turntrans-82.3-4.2176.664.9-11.6000114.3T105 H109T105-D107 WeakPolarHBondContact CB-OD1 3.31Å; T105-D107 PolarHBondContact O-N 3.39Å; T105-D107 PolarHBondContact OG1-OD1 3.46Å; D107-H109 IonicContact OD1-ND1 3.15Å; D107-H109 PolarHBondContact OD1-ND1 2.74Å; D107-H109 IonicContact OD2-CE1 3.8Å; D107-H109 PolarHBondContact OD2-CE1 3.08Å; D107-H109 IonicContact OD2-ND1 3.26Å; D107-H109 PolarHBondContact OD2-ND1 2.75Å
108G86.4Confident92Very high3 Ų323.1 Ų23.13%0.03113%0.127CC..SBendtrans93.817.1171.900000115.6T105 D106 C144 K145 I146T105-G108 PolarHBondContact O-N 2.95Å; D106-G108 VanDerWaalsContact C-N 3.33Å; G108-C144 CarbonylContact O-C 3.56Å; G108-K145 PolarHBondContact O-N 3.47Å; G108-I146 PolarHBondContact O-N 2.95Å
109H89.4Confident91.8Very high55 Ų5521.6 Ų21.626%0.25512%0.121SC..  trans-88.5150.7171.7-61.592.4000111.5L104 T105 D107 E140L104-H109 WeakPolarHBondContact CA-O 3.38Å; L104-H109 WeakPolarHBondContact CD1-O 3.22Å; T105-H109 PolarHBondContact N-O 2.95Å; T105-H109 WeakPolarHBondContact OG1-CB 3.48Å; T105-H109 PolarHBondContact OG1-N 3.33Å; T105-H109 PolarHBondContact OG1-O 2.91Å; T105-H109 VanDerWaalsContact OG1-O 3.08Å; D107-H109 IonicContact OD1-ND1 3.15Å; D107-H109 PolarHBondContact OD1-ND1 2.74Å; D107-H109 IonicContact OD2-CE1 3.8Å; D107-H109 PolarHBondContact OD2-CE1 3.08Å; D107-H109 IonicContact OD2-ND1 3.26Å; D107-H109 PolarHBondContact OD2-ND1 2.75Å; H109-E140 IonicContact CD2-OE1 2.72Å; H109-E140 PolarHBondContact CD2-OE1 2.82Å; H109-E140 IonicContact CG-OE1 2.63Å; H109-E140 IonicContact NE2-OE1 3.82Å
110V91.3Very high91.8Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-112.5128.4-179.7179.30000109.6V102 A103 L104 V141 L143 I146 V149V102-V110 HydrophobicContact CG1-CG1 3.5Å; V102-V110 VanDerWaalsContact CG1-CG1 3.5Å; A103-V110 WeakPolarHBondContact O-CA 3.43Å; L104-V110 HydrophobicContact CD1-CG2 4.1Å; V110-V141 HydrophobicContact CB-CB 4.16Å; V110-V141 HydrophobicContact CG1-CB 4.13Å; V110-V141 HydrophobicContact CG1-CG2 4.01Å; V110-V141 PolarHBondContact O-N 3.03Å; V110-L143 HydrophobicContact CG2-CB 4.46Å; V110-I146 HydrophobicContact CG2-CB 3.8Å; V110-I146 HydrophobicContact CG2-CG1 3.66Å; V110-I146 HydrophobicContact CG2-CG2 3.85Å; V110-V149 HydrophobicContact CG1-CG1 4.27Å; V110-V149 HydrophobicContact CG2-CG1 3.97Å
111H92.1Very high91.7Very high29 Ų2920.9 Ų20.913%0.13411%0.114CC..EExtended strand (participates in β ladder)trans-120.9139.3177-63.9-87.3000110.3F86 V102 A103 W113 S139F86-H111 HydrophobicContact CE1-CB 3.87Å; F86-H111 AromaticContact CE1-CD2 3.81Å; F86-H111 AromaticContact CE1-CG 3.83Å; F86-H111 HydrophobicContact CZ-CB 3.99Å; V102-H111 CarbonylContact C-O 3.51Å; V102-H111 WeakPolarHBondContact CA-O 3.28Å; A103-H111 PolarHBondContact N-O 3.32Å; A103-H111 PolarHBondContact O-N 3.01Å; H111-W113 HydrophobicContact CB-CZ3 4.41Å; H111-S139 WeakPolarHBondContact CA-O 3.39Å
112S93.4Very high91.3Very high0 Ų021 Ų210%012%0.116CC..EExtended strand (participates in β ladder)trans-134147.5-178.667.40000111.9T101 L121 S139T101-S112 WeakPolarHBondContact O-CA 3.45Å; S112-L121 WeakPolarHBondContact OG-CA 3.1Å; S112-L121 WeakPolarHBondContact OG-CB 3.36Å; S112-L121 PolarHBondContact OG-O 2.93Å; S112-S139 PolarHBondContact N-O 3.34Å; S112-S139 PolarHBondContact O-N 2.75Å
113W93.3Very high90.3Very high4 Ų422 Ų222%0.01512%0.124CC..EExtended strand (participates in β ladder)trans-154.7164.1173.961.394.6000111.2L60 Q70 G72 F86 H100 T101 A103 H111L60-W113 HydrophobicContact CD1-CH2 4.28Å; Q70-W113 PolarHBondContact O-NE1 3.46Å; G72-W113 VanDerWaalsContact N-NE1 3.19Å; F86-W113 AromaticContact CE2-CH2 3.6Å; F86-W113 HydrophobicContact CE2-CH2 3.6Å; F86-W113 HydrophobicContact CE2-CZ2 4.45Å; F86-W113 AromaticContact CE2-CZ3 3.83Å; F86-W113 HydrophobicContact CE2-CZ3 3.83Å; F86-W113 HydrophobicContact CZ-CE3 4.42Å; F86-W113 AromaticContact CZ-CH2 3.74Å; F86-W113 HydrophobicContact CZ-CH2 3.74Å; F86-W113 AromaticContact CZ-CZ3 3.49Å; F86-W113 HydrophobicContact CZ-CZ3 3.49Å; F86-W113 VanDerWaalsContact CZ-CZ3 3.49Å; H100-W113 WeakPolarHBondContact CA-O 3.49Å; T101-W113 HydrophobicContact CG2-CH2 3.82Å; T101-W113 HydrophobicContact CG2-CZ2 3.38Å; T101-W113 PolarHBondContact N-O 3.33Å; T101-W113 PolarHBondContact O-N 2.86Å; A103-W113 HydrophobicContact CB-CH2 3.69Å; A103-W113 HydrophobicContact CB-CZ3 3.75Å; H111-W113 HydrophobicContact CB-CZ3 4.41Å
114G93.3Very high88.6Confident2 Ų228.6 Ų28.62%0.02116%0.158CC..EExtended strand (participates in β ladder)trans114.1-150-176.300000113.4F68F68-G114 CarbonylContact O-C 3.6Å; F68-G114 VanDerWaalsContact O-CA 3.25Å; F68-G114 WeakPolarHBondContact O-CA 3.47Å
115S93Very high86.5Confident6 Ų633.9 Ų33.94%0.04219%0.186CC..  trans-62.5142.31751670000111.2A99 D117 Q120A99-S115 PolarHBondContact O-N 3.49Å; S115-D117 PolarHBondContact OG-N 2.83Å; S115-D117 PolarHBondContact OG-OD2 3.3Å; S115-Q120 VanDerWaalsContact C-NE2 3.31Å; S115-Q120 WeakPolarHBondContact O-CG 3.33Å; S115-Q120 PolarHBondContact O-NE2 3.15Å; S115-Q120 PolarHBondContact OG-NE2 3.19Å; S115-Q120 VanDerWaalsContact OG-NE2 3.1Å
116N92Very high83.9Confident47 Ų4736.4 Ų36.425%0.25121%0.212SC..  trans-130.724.7176.5-159.731.8000113S118 G119 Q120 L121N116-S118 PolarHBondContact O-N 3.2Å; N116-S118 VanDerWaalsContact O-N 3.08Å; N116-G119 PolarHBondContact O-N 2.83Å; N116-G119 VanDerWaalsContact O-N 3.15Å; N116-G119 WeakPolarHBondContact OD1-CA 3.3Å; N116-Q120 VanDerWaalsContact C-OE1 3.27Å; N116-Q120 PolarHBondContact OD1-N 2.79Å; N116-L121 HydrophobicContact CB-CB 4.41Å; N116-L121 HydrophobicContact CB-CD1 3.67Å; N116-L121 HydrophobicContact CB-CG 3.71Å; N116-L121 WeakPolarHBondContact OD1-CB 3.38Å; N116-L121 WeakPolarHBondContact OD1-CG 3.42Å; N116-L121 PolarHBondContact OD1-N 3.11Å
117D90.1Very high81.3Confident96 Ų9641.3 Ų41.351%0.51324%0.236SC..THydrogen-bonded Turntrans-60.8-21.7-173.2-61.5-49.1000113.8S115S115-D117 PolarHBondContact OG-N 2.83Å; S115-D117 PolarHBondContact OG-OD2 3.3Å
118S90.8Very high78.7Confident28 Ų2846 Ų4620%0.19626%0.255CS..THydrogen-bonded Turntrans-119.711.8179.6-50.40000113.3N116 Q120 Q154 G180N116-S118 PolarHBondContact O-N 3.2Å; N116-S118 VanDerWaalsContact O-N 3.08Å; S118-Q120 VanDerWaalsContact C-N 3.34Å; S118-Q154 PolarHBondContact OG-OE1 3.49Å; S118-G180 CarbonylContact O-C 3.6Å; S118-G180 VanDerWaalsContact O-C 3.24Å; S118-G180 WeakPolarHBondContact O-CA 3.43Å
119G90.8Very high75.9Confident9 Ų956.4 Ų56.49%0.09329%0.293CS..SBendtrans77.215.5-175.200000114.6N116 L121 G122N116-G119 PolarHBondContact O-N 2.83Å; N116-G119 VanDerWaalsContact O-N 3.15Å; N116-G119 WeakPolarHBondContact OD1-CA 3.3Å; G119-L121 PolarHBondContact O-N 2.96Å; G119-L121 VanDerWaalsContact O-N 3.14Å; G119-G122 PolarHBondContact O-N 3.16Å
120Q93.7Very high73.2Confident2 Ų259.7 Ų59.71%0.00932%0.323CS..THydrogen-bonded Turntrans-66.6-10.7-176.667.3-9135.200114.9H100 S115 N116 S118 G122 Q154 C156 W179H100-Q120 HydrophobicContact CB-CG 4.32Å; S115-Q120 VanDerWaalsContact C-NE2 3.31Å; S115-Q120 WeakPolarHBondContact O-CG 3.33Å; S115-Q120 PolarHBondContact O-NE2 3.15Å; S115-Q120 PolarHBondContact OG-NE2 3.19Å; S115-Q120 VanDerWaalsContact OG-NE2 3.1Å; N116-Q120 VanDerWaalsContact C-OE1 3.27Å; N116-Q120 PolarHBondContact OD1-N 2.79Å; S118-Q120 VanDerWaalsContact C-N 3.34Å; Q120-G122 VanDerWaalsContact C-N 3.31Å; Q120-Q154 WeakPolarHBondContact CB-O 3.27Å; Q120-C156 PolarHBondContact O-SG 3.15Å; Q120-C156 VanDerWaalsContact O-SG 3.36Å; Q120-W179 PolarHBondContact O-NE1 2.92Å
121L92Very high70.4Confident2 Ų265.4 Ų65.41%0.0136%0.357CS..THydrogen-bonded Turntrans-76.7-16.7170.9-60.1-171.6000112.5H100 S112 N116 G119 A123 V141H100-L121 HydrophobicContact CB-CD2 4.25Å; S112-L121 WeakPolarHBondContact OG-CA 3.1Å; S112-L121 WeakPolarHBondContact OG-CB 3.36Å; S112-L121 PolarHBondContact OG-O 2.93Å; N116-L121 HydrophobicContact CB-CB 4.41Å; N116-L121 HydrophobicContact CB-CD1 3.67Å; N116-L121 HydrophobicContact CB-CG 3.71Å; N116-L121 WeakPolarHBondContact OD1-CB 3.38Å; N116-L121 WeakPolarHBondContact OD1-CG 3.42Å; N116-L121 PolarHBondContact OD1-N 3.11Å; G119-L121 PolarHBondContact O-N 2.96Å; G119-L121 VanDerWaalsContact O-N 3.14Å; L121-A123 PolarHBondContact O-N 3.17Å; L121-A123 VanDerWaalsContact O-N 3.13Å; L121-V141 VanDerWaalsContact O-CG2 3.24Å; L121-V141 WeakPolarHBondContact O-CG2 3.33Å
122G87.6Confident67.5Low4 Ų472.1 Ų72.14%0.04139%0.389CS..  trans72.82.5173.100000115.4G119 Q120 P196 P198G119-G122 PolarHBondContact O-N 3.16Å; Q120-G122 VanDerWaalsContact C-N 3.31Å; G122-P196 CarbonylContact C-O 3.6Å; G122-P196 VanDerWaalsContact C-O 3.24Å; G122-P196 WeakPolarHBondContact CA-O 3.29Å; G122-P198 WeakPolarHBondContact O-CD 3.31Å
123A75.3Confident65Low21 Ų2182.1 Ų82.117%0.17443%0.426CS..  trans-98125.5177.200000110.3L121 L125L121-A123 PolarHBondContact O-N 3.17Å; L121-A123 VanDerWaalsContact O-N 3.13Å; A123-L125 PolarHBondContact O-N 3.23Å
124I57.7Low62.7Low139 Ų13987.8 Ų87.871%0.71345%0.451SS*.  trans-7190.3165.9-55.7174.5000105.8G126I124-G126 PolarHBondContact O-N 2.76Å
125L48.8Very low60.6Low110 Ų11089 Ų8958%0.57646%0.458SS*.  trans-56.7109.9168.5-77.9157.7000106.5A123A123-L125 PolarHBondContact O-N 3.23Å
126G38.9Very low58.6Low53 Ų5392.4 Ų92.455%0.54648%0.476SS..  trans-48.9151.3168.700000109.3I124 H128I124-G126 PolarHBondContact O-N 2.76Å; G126-H128 PolarHBondContact O-N 3.22Å
127I33.2Very low57Low175 Ų17594 Ų9490%0.89749%0.49SS*.SBendtrans-6359.8-167.3-50.5162.4000112.6R129I127-R129 PolarHBondContact O-N 3.16Å
128H30Very low55.7Low182 Ų18290.9 Ų90.984%0.84348%0.476SS*.  trans-97.484.9167.5-93-85.3000107.7G126 S130G126-H128 PolarHBondContact O-N 3.22Å; H128-S130 PolarHBondContact O-N 3.04Å
129R26.8Very low54.7Low220 Ų22090.5 Ų90.583%0.8347%0.473SS*.  trans17.895.5148-65.5-178.1179.1-167.4-1.2116I127 V131I127-R129 PolarHBondContact O-N 3.16Å; R129-V131 VanDerWaalsContact C-N 3.25Å; R129-V131 PolarHBondContact O-N 3.23Å
130S33.3Very low53.9Low125 Ų12595.5 Ų95.587%0.87449%0.494SS*.SBendtrans44.48.4134.764.80000122.5H128H128-S130 PolarHBondContact O-N 3.04Å
131V31.8Very low53Low119 Ų11995.4 Ų95.472%0.72149%0.494SS*.  trans-150106.6174-153.40000104.1R129R129-V131 VanDerWaalsContact C-N 3.25Å; R129-V131 PolarHBondContact O-N 3.23Å
132E32.6Very low52.5Low170 Ų170102.8 Ų102.879%0.79453%0.533SS*.  -159.813861.9-72.9170.5157.700109K134E132-K134 PolarHBondContact O-N 3Å
133R40.7Very low52.1Low210 Ų210103.4 Ų103.479%0.79254%0.536SS*.SBendtrans-69.727.3-177.7-80.5-172.1172.6101.3-2.6115.4
134K44.1Very low52.3Low124 Ų124105.1 Ų105.154%0.53955%0.546SS..  trans-144.990.1-171.7-64.9-178.3-179179.70110.8E132 L136E132-K134 PolarHBondContact O-N 3Å; K134-L136 PolarHBondContact O-N 3.12Å; K134-L136 VanDerWaalsContact O-N 3.09Å
135T48.8Very low53.4Low28 Ų28102.5 Ų102.517%0.17253%0.529CS..EExtended strand (participates in β ladder)trans-76.699.7172.4-27.10000108.4S137T135-S137 VanDerWaalsContact C-N 3.3Å; T135-S137 WeakPolarHBondContact CG2-O 3.5Å
136L52Low55.4Low77 Ų7797.4 Ų97.440%0.40350%0.502SS..EExtended strand (participates in β ladder)trans-68.8-33.7176.3-142.687.9000111.7C69 E74 K134C69-L136 HydrophobicContact CB-CD1 4.35Å; E74-L136 HydrophobicContact CG-CD1 3.36Å; E74-L136 HydrophobicContact CG-CD2 3.98Å; E74-L136 HydrophobicContact CG-CG 4.23Å; K134-L136 PolarHBondContact O-N 3.12Å; K134-L136 VanDerWaalsContact O-N 3.09Å
137S57.8Low57.8Low80 Ų8095.6 Ų95.656%0.55948%0.481SS*.EExtended strand (participates in β ladder)trans-85.7125.8177.654.30000110.3T135 S139T135-S137 VanDerWaalsContact C-N 3.3Å; T135-S137 WeakPolarHBondContact CG2-O 3.5Å; S137-S139 PolarHBondContact O-N 3.34Å; S137-S139 VanDerWaalsContact O-N 3.12Å
138S61.9Low60.7Low31 Ų3187.8 Ų87.822%0.21744%0.44CS..EExtended strand (participates in β ladder)trans-48.8118.6167.953.70000109.9
139S71.1Confident63.9Low19 Ų1979.2 Ų79.213%0.13340%0.401CS..EExtended strand (participates in β ladder)trans-85.9127.6177-60.80000108.5H111 S112 S137 V141H111-S139 WeakPolarHBondContact CA-O 3.39Å; S112-S139 PolarHBondContact N-O 3.34Å; S112-S139 PolarHBondContact O-N 2.75Å; S137-S139 PolarHBondContact O-N 3.34Å; S137-S139 VanDerWaalsContact O-N 3.12Å; S139-V141 PolarHBondContact O-N 3.25Å
140E74.1Confident67.2Low114 Ų11469.2 Ų69.253%0.53337%0.365SS..EExtended strand (participates in β ladder)trans-71.1122.9170.8-167.9174.6170.300108.7H109H109-E140 IonicContact CD2-OE1 2.72Å; H109-E140 PolarHBondContact CD2-OE1 2.82Å; H109-E140 IonicContact CG-OE1 2.63Å; H109-E140 IonicContact NE2-OE1 3.82Å
141V75.5Confident70.2Confident0 Ų064 Ų640%033%0.329CS..EExtended strand (participates in β ladder)trans-80135.5172.5-175.40000106.5V110 L121 S139 L143 W179 P198V110-V141 HydrophobicContact CB-CB 4.16Å; V110-V141 HydrophobicContact CG1-CB 4.13Å; V110-V141 HydrophobicContact CG1-CG2 4.01Å; V110-V141 PolarHBondContact O-N 3.03Å; L121-V141 VanDerWaalsContact O-CG2 3.24Å; L121-V141 WeakPolarHBondContact O-CG2 3.33Å; S139-V141 PolarHBondContact O-N 3.25Å; V141-L143 HydrophobicContact CG1-CD1 3.99Å; V141-L143 HydrophobicContact CG1-CG 4.08Å; V141-L143 PolarHBondContact O-N 3.38Å; V141-W179 HydrophobicContact CG1-CZ2 4.45Å; V141-P198 HydrophobicContact CG1-CG 3.35Å
142N81Confident73.3Confident157 Ų15758.5 Ų58.584%0.8430%0.296SS*.SBendtrans-71.466.7-178.8-172.430.7000111.9
143L78.6Confident76.3Confident18 Ų1851.6 Ų51.69%0.09426%0.264CS..  trans-141.7132.7177.7-70175.4000107.6V110 V141 I146 A158 H177 W179 P198V110-L143 HydrophobicContact CG2-CB 4.46Å; V141-L143 HydrophobicContact CG1-CD1 3.99Å; V141-L143 HydrophobicContact CG1-CG 4.08Å; V141-L143 PolarHBondContact O-N 3.38Å; L143-I146 HydrophobicContact CB-CD1 4.11Å; L143-I146 HydrophobicContact CB-CG1 3.82Å; L143-I146 HydrophobicContact CD1-CD1 4.41Å; L143-I146 HydrophobicContact CD1-CG1 4.47Å; L143-A158 HydrophobicContact CD1-CB 3.86Å; L143-H177 HydrophobicContact CD1-CB 4.46Å; L143-H177 HydrophobicContact CD2-CB 4.34Å; L143-W179 HydrophobicContact CD1-CE3 4.47Å; L143-W179 HydrophobicContact CD1-CH2 4.02Å; L143-W179 HydrophobicContact CD1-CZ3 3.75Å; L143-P198 HydrophobicContact CD1-CB 3.87Å; L143-P198 HydrophobicContact CD1-CG 3.71Å; L143-P198 HydrophobicContact CD2-CB 3.8Å; L143-P198 HydrophobicContact CD2-CG 4.17Å; L143-P198 HydrophobicContact CG-CB 3.94Å; L143-P198 HydrophobicContact CG-CG 3.75Å
144C79.1Confident79Confident56 Ų5644 Ų4438%0.37824%0.238SC..  trans-128166.3174.765.60000109.7G108 I146G108-C144 CarbonylContact O-C 3.56Å; C144-I146 PolarHBondContact O-N 2.94Å; C144-I146 VanDerWaalsContact O-N 3.16Å
145K82.1Confident81.5Confident85 Ų8538.1 Ų38.137%0.3721%0.212SC..SBendtrans56.429.9-178.7-53.5-58.5-175-177.80113.3G108 A161G108-K145 PolarHBondContact O-N 3.47Å; K145-A161 HydrophobicContact CB-CB 4.47Å; K145-A161 WeakPolarHBondContact O-CB 3.48Å; K145-A161 PolarHBondContact O-N 3.46Å
146I90Very high83.8Confident3 Ų336.9 Ų36.92%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-74.9140.1174.5-60.8-52.5000109.6L104 G108 V110 L143 C144 Q148 V149 A158 L159 E160L104-I146 HydrophobicContact CD1-CB 3.74Å; L104-I146 HydrophobicContact CD1-CG2 3.81Å; L104-I146 HydrophobicContact CD2-CG2 4.19Å; G108-I146 PolarHBondContact O-N 2.95Å; V110-I146 HydrophobicContact CG2-CB 3.8Å; V110-I146 HydrophobicContact CG2-CG1 3.66Å; V110-I146 HydrophobicContact CG2-CG2 3.85Å; L143-I146 HydrophobicContact CB-CD1 4.11Å; L143-I146 HydrophobicContact CB-CG1 3.82Å; L143-I146 HydrophobicContact CD1-CD1 4.41Å; L143-I146 HydrophobicContact CD1-CG1 4.47Å; C144-I146 PolarHBondContact O-N 2.94Å; C144-I146 VanDerWaalsContact O-N 3.16Å; I146-Q148 WeakPolarHBondContact CG2-O 3Å; I146-V149 HydrophobicContact CG2-CG1 4Å; I146-A158 HydrophobicContact CD1-CB 4.03Å; I146-A158 HydrophobicContact CG1-CB 4.32Å; I146-A158 HydrophobicContact CG2-CB 3.96Å; I146-L159 WeakPolarHBondContact CA-O 3.5Å; I146-L159 WeakPolarHBondContact CG2-O 3.39Å; I146-E160 HydrophobicContact CD1-CB 3.93Å; I146-E160 HydrophobicContact CD1-CG 4.25Å
147V90.1Very high86Confident15 Ų1533.2 Ų33.29%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-110.4-25.7176.2-78.10000112.9L104 L159 A161 R410 I412L104-V147 VanDerWaalsContact CD2-C 3.48Å; L104-V147 WeakPolarHBondContact CD2-O 3.34Å; V147-L159 HydrophobicContact CG2-CB 4.25Å; V147-L159 HydrophobicContact CG2-CD2 4.01Å; V147-L159 HydrophobicContact CG2-CG 3.95Å; V147-L159 VanDerWaalsContact CG2-O 3.22Å; V147-L159 WeakPolarHBondContact CG2-O 3.25Å; V147-L159 PolarHBondContact N-O 3.4Å; V147-A161 HydrophobicContact CG1-CB 3.65Å; V147-R410 HydrophobicContact CB-CB 4.12Å; V147-R410 HydrophobicContact CG1-CB 4.49Å; V147-R410 WeakPolarHBondContact O-CB 3.15Å; V147-I412 HydrophobicContact CG2-CG2 4.39Å
148Q94Very high87.7Confident10 Ų1029.4 Ų29.45%0.04716%0.159CC..EExtended strand (participates in β ladder)trans-141.5149175.4-59.9-176.72.900112.4I146 A158 L159 A210 I212 R410I146-Q148 WeakPolarHBondContact CG2-O 3Å; Q148-A158 CarbonylContact O-C 3.52Å; Q148-A158 VanDerWaalsContact O-CA 3.3Å; Q148-A158 WeakPolarHBondContact O-CA 3.43Å; Q148-L159 HydrophobicContact CB-CB 4.02Å; Q148-L159 HydrophobicContact CG-CD2 4.37Å; Q148-L159 PolarHBondContact N-O 3.08Å; Q148-L159 PolarHBondContact O-N 2.91Å; Q148-A210 PolarHBondContact NE2-O 2.69Å; Q148-I212 HydrophobicContact CB-CD1 4.21Å; Q148-I212 HydrophobicContact CB-CG1 3.95Å; Q148-R410 VanDerWaalsContact CG-O 3.31Å; Q148-R410 WeakPolarHBondContact CG-O 3.36Å; Q148-R410 PolarHBondContact NE2-O 3.23Å
149V95.7Very high89.2Confident3 Ų328 Ų282%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-127.4149.6169-67.20000110.7Q93 A95 V102 L104 V110 I146 L157 A158Q93-V149 HydrophobicContact CB-CG2 4.41Å; Q93-V149 HydrophobicContact CG-CG2 4.35Å; Q93-V149 PolarHBondContact NE2-O 3.06Å; Q93-V149 VanDerWaalsContact NE2-O 3.09Å; A95-V149 HydrophobicContact CB-CG2 4.18Å; V102-V149 HydrophobicContact CG1-CB 4.22Å; V102-V149 HydrophobicContact CG1-CG1 4.14Å; V102-V149 HydrophobicContact CG1-CG2 4.41Å; L104-V149 HydrophobicContact CB-CG1 4.15Å; L104-V149 HydrophobicContact CB-CG2 4.03Å; V110-V149 HydrophobicContact CG1-CG1 4.27Å; V110-V149 HydrophobicContact CG2-CG1 3.97Å; I146-V149 HydrophobicContact CG2-CG1 4Å; V149-L157 WeakPolarHBondContact CA-O 3.19Å; V149-A158 HydrophobicContact CG1-CB 4.45Å
150A96.9Very high90Very high10 Ų1028.3 Ų28.38%0.08315%0.148CC..EExtended strand (participates in β ladder)trans-145.6148.217200000110.6C156 L157 I212A150-C156 CarbonylContact O-C 3.38Å; A150-C156 WeakPolarHBondContact O-CA 3.33Å; A150-L157 HydrophobicContact CB-CB 4.36Å; A150-L157 PolarHBondContact N-O 3.45Å; A150-L157 PolarHBondContact O-N 2.96Å; A150-I212 HydrophobicContact CB-CD1 4.46Å; A150-I212 HydrophobicContact CB-CG1 4.41Å
151C97.3Very high90Very high15 Ų1523.3 Ų23.310%0.10113%0.127CC..EExtended strand (participates in β ladder)trans-124.8135.7179.5-67.70000109.9A95 V102 C156A95-C151 HydrophobicContact CB-CB 4.01Å; A95-C151 VanDerWaalsContact CB-SG 3.52Å; V102-C151 VanDerWaalsContact CG2-SG 3.57Å; C151-C156 VanDerWaalsContact SG-SG 3.69Å
152G96.6Very high89.4Confident3 Ų323.7 Ų23.73%0.03113%0.129CC..  trans-92.7-155.4158.600000110.7G97 H155 G215G97-G152 WeakPolarHBondContact CA-O 3.43Å; G152-H155 PolarHBondContact N-O 3.27Å; G152-G215 WeakPolarHBondContact CA-O 3.4Å
153N95.5Very high88Confident25 Ų2519.6 Ų19.613%0.13411%0.106CC..SBendtrans-66.3-48.4-179-80.524.8000111.8D98 H100 S216D98-N153 HydrophobicContact CB-CB 4.26Å; D98-N153 PolarHBondContact N-O 2.94Å; D98-N153 PolarHBondContact OD1-ND2 3.38Å; D98-N153 PolarHBondContact OD1-OD1 3.19Å; H100-N153 PolarHBondContact CE1-O 3.04Å; H100-N153 PolarHBondContact ND1-O 3.09Å; N153-S216 PolarHBondContact N-O 2.76Å; N153-S216 VanDerWaalsContact N-O 3.08Å; N153-S216 PolarHBondContact ND2-OG 3.38Å; N153-S216 WeakPolarHBondContact OD1-CA 3.42Å; N153-S216 WeakPolarHBondContact OD1-CB 3.36Å; N153-S216 PolarHBondContact OD1-OG 2.83Å
154Q95.8Very high86.4Confident52 Ų5224.6 Ų24.624%0.24313%0.132CC..SBendtrans-137.521.7-174.7-66.1-173.3-31.600112.7S118 Q120 G180 S181 W217S118-Q154 PolarHBondContact OG-OE1 3.49Å; Q120-Q154 WeakPolarHBondContact CB-O 3.27Å; Q154-G180 WeakPolarHBondContact O-CA 3.36Å; Q154-S181 PolarHBondContact O-N 2.95Å; Q154-W217 HydrophobicContact CB-CH2 4.35Å; Q154-W217 HydrophobicContact CB-CZ3 4.45Å; Q154-W217 HydrophobicContact CG-CH2 4.4Å
155H97.1Very high84.4Confident0 Ų026.1 Ų26.10%013%0.132CC..EExtended strand (participates in β ladder)trans-140.8159.1174.173.6-71.1000110.9G152 W179 Q186 L187 S219G152-H155 PolarHBondContact N-O 3.27Å; H155-W179 CarbonylContact C-O 3.57Å; H155-W179 VanDerWaalsContact CA-O 3.26Å; H155-W179 WeakPolarHBondContact CA-O 3.39Å; H155-W179 WeakPolarHBondContact CB-O 3.34Å; H155-Q186 HydrophobicContact CB-CG 4.22Å; H155-L187 HydrophobicContact CB-CD2 3.82Å; H155-S219 PolarHBondContact NE2-OG 3.23Å
156C97.9Very high82.1Confident1 Ų125.7 Ų25.71%0.00714%0.144CC..EExtended strand (participates in β ladder)trans-131.3152.1-175.9-64.90000110.1H100 Q120 A150 C151 A178 W179H100-C156 PolarHBondContact NE2-SG 3.49Å; Q120-C156 PolarHBondContact O-SG 3.15Å; Q120-C156 VanDerWaalsContact O-SG 3.36Å; A150-C156 CarbonylContact O-C 3.38Å; A150-C156 WeakPolarHBondContact O-CA 3.33Å; C151-C156 VanDerWaalsContact SG-SG 3.69Å; C156-A178 VanDerWaalsContact O-CA 3.32Å; C156-A178 WeakPolarHBondContact O-CA 3.34Å; C156-W179 HydrophobicContact CB-CD2 3.76Å; C156-W179 HydrophobicContact CB-CE3 4.22Å; C156-W179 HydrophobicContact CB-CG 4.36Å; C156-W179 HydrophobicContact CB-CH2 3.77Å; C156-W179 HydrophobicContact CB-CZ2 3.27Å; C156-W179 HydrophobicContact CB-CZ3 4.21Å; C156-W179 PolarHBondContact N-O 3.23Å; C156-W179 PolarHBondContact O-N 2.84Å; C156-W179 VanDerWaalsContact O-N 3.1Å
157L97.2Very high79.5Confident1 Ų135.9 Ų35.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-127.9145174.7-56.1174.8000109.1V149 A150 H177 A178 I212 I213 A214 W231V149-L157 WeakPolarHBondContact CA-O 3.19Å; A150-L157 HydrophobicContact CB-CB 4.36Å; A150-L157 PolarHBondContact N-O 3.45Å; A150-L157 PolarHBondContact O-N 2.96Å; L157-H177 CarbonylContact C-O 3.55Å; L157-H177 VanDerWaalsContact CA-O 3.26Å; L157-H177 WeakPolarHBondContact CA-O 3.29Å; L157-A178 HydrophobicContact CD2-CB 3.58Å; L157-I212 HydrophobicContact CB-CD1 3.85Å; L157-I213 WeakPolarHBondContact CD1-O 3.29Å; L157-A214 HydrophobicContact CD1-CB 4.15Å; L157-W231 HydrophobicContact CD2-CZ2 4.43Å
158A95.4Very high76.7Confident0 Ų039.6 Ų39.60%022%0.216CC..EExtended strand (participates in β ladder)trans-134.1143.7170.100000110.7L143 I146 Q148 V149 V176 H177 W179L143-A158 HydrophobicContact CD1-CB 3.86Å; I146-A158 HydrophobicContact CD1-CB 4.03Å; I146-A158 HydrophobicContact CG1-CB 4.32Å; I146-A158 HydrophobicContact CG2-CB 3.96Å; Q148-A158 CarbonylContact O-C 3.52Å; Q148-A158 VanDerWaalsContact O-CA 3.3Å; Q148-A158 WeakPolarHBondContact O-CA 3.43Å; V149-A158 HydrophobicContact CG1-CB 4.45Å; A158-V176 CarbonylContact O-C 3.54Å; A158-V176 WeakPolarHBondContact O-CA 3.47Å; A158-H177 HydrophobicContact CB-CB 4.46Å; A158-H177 PolarHBondContact N-O 3.29Å; A158-H177 PolarHBondContact O-N 3.37Å; A158-W179 HydrophobicContact CB-CH2 3.98Å; A158-W179 HydrophobicContact CB-CZ3 3.77Å
159L93.3Very high73.8Confident1 Ų143 Ų431%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-110.1119.9174.5-177.769.9000108.8I146 V147 Q148 V175 V176 F209 I212 I412I146-L159 WeakPolarHBondContact CA-O 3.5Å; I146-L159 WeakPolarHBondContact CG2-O 3.39Å; V147-L159 HydrophobicContact CG2-CB 4.25Å; V147-L159 HydrophobicContact CG2-CD2 4.01Å; V147-L159 HydrophobicContact CG2-CG 3.95Å; V147-L159 VanDerWaalsContact CG2-O 3.22Å; V147-L159 WeakPolarHBondContact CG2-O 3.25Å; V147-L159 PolarHBondContact N-O 3.4Å; Q148-L159 HydrophobicContact CB-CB 4.02Å; Q148-L159 HydrophobicContact CG-CD2 4.37Å; Q148-L159 PolarHBondContact N-O 3.08Å; Q148-L159 PolarHBondContact O-N 2.91Å; L159-V175 WeakPolarHBondContact CA-O 3.31Å; L159-V175 HydrophobicContact CD1-CG1 3.82Å; L159-V176 HydrophobicContact CD1-CG2 3.8Å; L159-F209 HydrophobicContact CD1-CB 4.07Å; L159-F209 HydrophobicContact CD2-CB 4.42Å; L159-I212 HydrophobicContact CB-CD1 3.9Å; L159-I212 HydrophobicContact CB-CG1 4.19Å; L159-I212 HydrophobicContact CB-CG2 4.31Å; L159-I212 HydrophobicContact CD1-CG2 4.45Å; L159-I412 HydrophobicContact CD2-CG2 4.11Å; L159-I412 HydrophobicContact CG-CG2 4.32Å
160E87.2Confident70.9Confident26 Ų2649.1 Ų49.112%0.12129%0.285CS..EExtended strand (participates in β ladder)trans-84.7143.9179.9-168.5177.4-179.900111.8I146 V175 H177I146-E160 HydrophobicContact CD1-CB 3.93Å; I146-E160 HydrophobicContact CD1-CG 4.25Å; E160-V175 HydrophobicContact CB-CG1 4.31Å; E160-V175 PolarHBondContact N-O 2.85Å; E160-V175 WeakPolarHBondContact O-CG1 3.49Å; E160-H177 IonicContact OE2-CD2 3.14Å; E160-H177 IonicContact OE2-CE1 3.22Å; E160-H177 IonicContact OE2-NE2 2.87Å; E160-H177 PolarHBondContact OE2-NE2 3.3Å
161A73.6Confident67.9Low9 Ų956.1 Ų56.17%0.07431%0.314CS..SBendtrans-81.3-41.8176.400000112.3K145 V147 V413 N441 C444K145-A161 HydrophobicContact CB-CB 4.47Å; K145-A161 WeakPolarHBondContact O-CB 3.48Å; K145-A161 PolarHBondContact O-N 3.46Å; V147-A161 HydrophobicContact CG1-CB 3.65Å; A161-V413 HydrophobicContact CB-CG2 4.39Å; A161-N441 PolarHBondContact O-ND2 3.02Å; A161-C444 PolarHBondContact O-SG 3.17Å
162S62.8Low65.4Low8 Ų863.3 Ų63.36%0.05634%0.34CS..  trans-166.7142-17763.80000112.5V437 N441S162-V437 WeakPolarHBondContact CB-O 3.45Å; S162-N441 WeakPolarHBondContact CA-ND2 3.03Å
163M53Low63.2Low70 Ų7065.7 Ų65.735%0.34535%0.352SS..  trans-76134.2173-162.8179.5-75.200110.6S440M163-S440 PolarHBondContact O-OG 3.32Å
164L43.8Very low61.3Low124 Ų12464.6 Ų64.665%0.64935%0.347SS*.  trans-95.4134.9168.1-136.5151.1000108.2A166L164-A166 VanDerWaalsContact C-N 3.33Å; L164-A166 PolarHBondContact O-N 3.18Å
165F38.1Very low60.4Low88 Ų8862.4 Ų62.439%0.38634%0.337SS..  trans-5289.2174.9-84.9-91.7000111.7F167 L498 S499F165-F167 PolarHBondContact O-N 3.43Å; F165-L498 HydrophobicContact CD1-CD1 4.49Å; F165-L498 HydrophobicContact CE1-CB 3.4Å; F165-L498 VanDerWaalsContact CE1-CB 3.4Å; F165-L498 HydrophobicContact CE1-CD1 3.54Å; F165-L498 HydrophobicContact CE1-CG 4.11Å; F165-L498 HydrophobicContact CZ-CB 3.72Å; F165-L498 HydrophobicContact CZ-CD1 4.06Å; F165-L498 HydrophobicContact CZ-CG 4.49Å; F165-S499 VanDerWaalsContact CZ-OG 3.22Å; F165-S499 WeakPolarHBondContact CZ-OG 3.29Å
166A33.8Very low60.2Low75 Ų7562.5 Ų62.562%0.6234%0.337SS*.  trans-77.6115.6161.200000106.9L164 S168L164-A166 VanDerWaalsContact C-N 3.33Å; L164-A166 PolarHBondContact O-N 3.18Å; A166-S168 PolarHBondContact O-N 3.03Å
167F35.6Very low60Low217 Ų21763.4 Ų63.495%0.95234%0.342SS*.SBendtrans-61.3-0178.5-115.1-92000114F165F165-F167 PolarHBondContact O-N 3.43Å
168S29.3Very low59.9Low94 Ų9463.4 Ų63.466%0.65734%0.341SS*.SBendtrans-103.5100.5179.959.50000111.2A166A166-S168 PolarHBondContact O-N 3.03Å
169A33.7Very low59.9Low82 Ų8263.4 Ų63.468%0.67834%0.341SS*.  trans51.7122.9166.100000117.6K171A169-K171 PolarHBondContact O-N 3.05Å
170P35.4Very low60Low130 Ų13063.3 Ų63.384%0.84434%0.341SS*.  trans-71.399.4176.730.9-30.8000108.7
171K34.6Very low60.4Low158 Ų15862.2 Ų62.269%0.68734%0.336SS*.  trans-165.295.7169-113.9165-175.2177.40109.8A169A169-K171 PolarHBondContact O-N 3.05Å
172Y43.8Very low61.4Low166 Ų16661.8 Ų61.865%0.65133%0.333SS*.  161.187.8113.9-71.7-61.4000107.1G174Y172-G174 PolarHBondContact O-N 3.38Å
173D51.2Low62.6Low52 Ų5265.3 Ų65.328%0.27835%0.351SS..  trans-67109.6-177.7-66.22.4000110.2A202 Y205 S503D173-A202 WeakPolarHBondContact O-CA 3.38Å; D173-Y205 HydrophobicContact CB-CD1 3.67Å; D173-Y205 HydrophobicContact CB-CD2 3.93Å; D173-Y205 HydrophobicContact CB-CE1 3.63Å; D173-Y205 HydrophobicContact CB-CE2 3.97Å; D173-Y205 HydrophobicContact CB-CG 3.79Å; D173-Y205 WeakPolarHBondContact OD2-CE1 3.48Å; D173-S503 PolarHBondContact OD2-OG 3.11Å
174G54.5Low64.4Low2 Ų264.5 Ų64.52%0.02135%0.346CS..  trans-165.6122.1172.500000111.4Y172 H177Y172-G174 PolarHBondContact O-N 3.38Å; G174-H177 PolarHBondContact O-NE2 3.45Å
175V78Confident66.6Low7 Ų758.6 Ų58.64%0.04232%0.315CS..SBendtrans-87.2-19-178-178.90000111.7L159 E160 Y205 N443L159-V175 WeakPolarHBondContact CA-O 3.31Å; L159-V175 HydrophobicContact CD1-CG1 3.82Å; E160-V175 HydrophobicContact CB-CG1 4.31Å; E160-V175 PolarHBondContact N-O 2.85Å; E160-V175 WeakPolarHBondContact O-CG1 3.49Å; V175-Y205 HydrophobicContact CG2-CD2 3.96Å; V175-Y205 HydrophobicContact CG2-CE2 3.94Å; V175-N443 WeakPolarHBondContact CB-ND2 3.24Å; V175-N443 HydrophobicContact CG2-CB 4.24Å; V175-N443 WeakPolarHBondContact CG2-ND2 3.06Å
176V91.6Very high69.2Low1 Ų154.4 Ų54.41%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-101.4125.5170.5-175.20000107.8A158 L159 I201 L204 F209 I212A158-V176 CarbonylContact O-C 3.54Å; A158-V176 WeakPolarHBondContact O-CA 3.47Å; L159-V176 HydrophobicContact CD1-CG2 3.8Å; V176-I201 HydrophobicContact CB-CD1 4.24Å; V176-I201 HydrophobicContact CG1-CD1 3.77Å; V176-I201 HydrophobicContact CG1-CG1 4.48Å; V176-I201 WeakPolarHBondContact O-CG1 3.44Å; V176-I201 PolarHBondContact O-N 3.47Å; V176-L204 HydrophobicContact CB-CD1 4.18Å; V176-L204 HydrophobicContact CG2-CD1 4.07Å; V176-F209 HydrophobicContact CG2-CD2 4.28Å; V176-I212 HydrophobicContact CG1-CG2 4.19Å; V176-I212 HydrophobicContact CG2-CG2 4.12Å
177H93.4Very high72.1Confident21 Ų2150.9 Ų50.910%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-108.4143.9175.8-62.9-93000109.9L143 L157 A158 E160 G174 P198 Q199L143-H177 HydrophobicContact CD1-CB 4.46Å; L143-H177 HydrophobicContact CD2-CB 4.34Å; L157-H177 CarbonylContact C-O 3.55Å; L157-H177 VanDerWaalsContact CA-O 3.26Å; L157-H177 WeakPolarHBondContact CA-O 3.29Å; A158-H177 HydrophobicContact CB-CB 4.46Å; A158-H177 PolarHBondContact N-O 3.29Å; A158-H177 PolarHBondContact O-N 3.37Å; E160-H177 IonicContact OE2-CD2 3.14Å; E160-H177 IonicContact OE2-CE1 3.22Å; E160-H177 IonicContact OE2-NE2 2.87Å; E160-H177 PolarHBondContact OE2-NE2 3.3Å; G174-H177 PolarHBondContact O-NE2 3.45Å; H177-P198 HydrophobicContact CB-CB 4.28Å; H177-Q199 CarbonylContact C-O 3.47Å; H177-Q199 VanDerWaalsContact CA-O 3.28Å; H177-Q199 WeakPolarHBondContact CA-O 3.47Å
178A95.6Very high74.7Confident0 Ų040.5 Ų40.50%022%0.221CC..EExtended strand (participates in β ladder)trans-136.8145178.200000112.3C156 L157 L187 Q199 I201C156-A178 VanDerWaalsContact O-CA 3.32Å; C156-A178 WeakPolarHBondContact O-CA 3.34Å; L157-A178 HydrophobicContact CD2-CB 3.58Å; A178-L187 HydrophobicContact CB-CB 4.03Å; A178-L187 HydrophobicContact CB-CD2 3.94Å; A178-L187 WeakPolarHBondContact CB-O 3.19Å; A178-Q199 PolarHBondContact N-O 3.04Å; A178-Q199 PolarHBondContact O-N 2.88Å; A178-I201 HydrophobicContact CB-CD1 4.05Å; A178-I201 HydrophobicContact CB-CG1 4.3Å
179W96Very high77.5Confident0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-154.3167.6174.96697.2000112.2Q120 V141 L143 H155 C156 A158 L187 S195 S197 P198Q120-W179 PolarHBondContact O-NE1 2.92Å; V141-W179 HydrophobicContact CG1-CZ2 4.45Å; L143-W179 HydrophobicContact CD1-CE3 4.47Å; L143-W179 HydrophobicContact CD1-CH2 4.02Å; L143-W179 HydrophobicContact CD1-CZ3 3.75Å; H155-W179 CarbonylContact C-O 3.57Å; H155-W179 VanDerWaalsContact CA-O 3.26Å; H155-W179 WeakPolarHBondContact CA-O 3.39Å; H155-W179 WeakPolarHBondContact CB-O 3.34Å; C156-W179 HydrophobicContact CB-CD2 3.76Å; C156-W179 HydrophobicContact CB-CE3 4.22Å; C156-W179 HydrophobicContact CB-CG 4.36Å; C156-W179 HydrophobicContact CB-CH2 3.77Å; C156-W179 HydrophobicContact CB-CZ2 3.27Å; C156-W179 HydrophobicContact CB-CZ3 4.21Å; C156-W179 PolarHBondContact N-O 3.23Å; C156-W179 PolarHBondContact O-N 2.84Å; C156-W179 VanDerWaalsContact O-N 3.1Å; A158-W179 HydrophobicContact CB-CH2 3.98Å; A158-W179 HydrophobicContact CB-CZ3 3.77Å; W179-L187 WeakPolarHBondContact O-CD2 3.3Å; W179-S195 WeakPolarHBondContact CB-O 3.48Å; W179-S197 WeakPolarHBondContact CB-O 3Å; W179-P198 HydrophobicContact CD2-CG 4.12Å; W179-P198 HydrophobicContact CE3-CB 3.95Å; W179-P198 HydrophobicContact CE3-CG 3.93Å; W179-P198 HydrophobicContact CZ3-CG 4.43Å
180G95.8Very high79.8Confident0 Ų035.1 Ų35.10%018%0.18CC..EExtended strand (participates in β ladder)trans104.4-148.8-17600000113.1S118 Q154 P194 S195S118-G180 CarbonylContact O-C 3.6Å; S118-G180 VanDerWaalsContact O-C 3.24Å; S118-G180 WeakPolarHBondContact O-CA 3.43Å; Q154-G180 WeakPolarHBondContact O-CA 3.36Å; G180-P194 WeakPolarHBondContact O-CA 3.33Å; G180-P194 WeakPolarHBondContact O-CB 3.5Å; G180-S195 PolarHBondContact N-O 3.41Å; G180-S195 PolarHBondContact O-N 3.3Å
181S95Very high82Confident2 Ų232.8 Ų32.81%0.01416%0.158CC..  trans-62.8148.7176.5174.60000111.4Q154 D183 Q186 L187 W217Q154-S181 PolarHBondContact O-N 2.95Å; S181-D183 PolarHBondContact OG-N 3.38Å; S181-D183 PolarHBondContact OG-OD2 2.98Å; S181-Q186 PolarHBondContact O-NE2 3.01Å; S181-Q186 PolarHBondContact OG-NE2 3.31Å; S181-L187 WeakPolarHBondContact O-CD2 3.14Å; S181-L187 WeakPolarHBondContact O-CG 3.41Å; S181-W217 WeakPolarHBondContact OG-CZ3 3.32Å
182N93.6Very high84.5Confident0 Ų028.4 Ų28.40%014%0.144CC..  trans-138.724.1178-160.523000113.2F184 G185 Q186 L187 H191 V192 K193N182-F184 PolarHBondContact O-N 3.38Å; N182-G185 PolarHBondContact O-N 3.21Å; N182-G185 WeakPolarHBondContact OD1-CA 3.48Å; N182-Q186 VanDerWaalsContact C-OE1 3.23Å; N182-Q186 PolarHBondContact OD1-N 2.93Å; N182-L187 HydrophobicContact CB-CB 4.4Å; N182-L187 HydrophobicContact CB-CD1 3.64Å; N182-L187 HydrophobicContact CB-CG 3.68Å; N182-L187 WeakPolarHBondContact OD1-CB 3.21Å; N182-L187 WeakPolarHBondContact OD1-CG 3.42Å; N182-L187 PolarHBondContact OD1-N 3.45Å; N182-H191 PolarHBondContact ND2-O 2.91Å; N182-V192 CarbonylContact C-O 3.58Å; N182-V192 CarbonylContact O-C 3.52Å; N182-V192 VanDerWaalsContact O-CA 3.24Å; N182-V192 WeakPolarHBondContact O-CA 3.44Å; N182-V192 WeakPolarHBondContact O-CB 3.46Å; N182-K193 WeakPolarHBondContact CB-O 3.31Å; N182-K193 PolarHBondContact ND2-O 2.89Å
183D89Confident86.5Confident82 Ų8227.8 Ų27.844%0.43915%0.145SC..THydrogen-bonded Turntrans-54.1-28.9-174.6-57-36.8000113.4S181S181-D183 PolarHBondContact OG-N 3.38Å; S181-D183 PolarHBondContact OG-OD2 2.98Å
184F90.2Very high88.4Confident54 Ų5428.9 Ų28.924%0.23716%0.155CC..THydrogen-bonded Turntrans-114.714.3179.2-57.9-81.4000113.8N182 Q186 W217 G232 K233 A261N182-F184 PolarHBondContact O-N 3.38Å; F184-Q186 VanDerWaalsContact C-N 3.29Å; F184-Q186 PolarHBondContact O-N 2.9Å; F184-W217 HydrophobicContact CD2-CB 3.7Å; F184-W217 AromaticContact CD2-CD2 3.93Å; F184-W217 HydrophobicContact CD2-CD2 3.93Å; F184-W217 AromaticContact CD2-CE3 3.92Å; F184-W217 HydrophobicContact CD2-CE3 3.92Å; F184-W217 AromaticContact CD2-CG 3.86Å; F184-W217 HydrophobicContact CD2-CG 3.86Å; F184-W217 HydrophobicContact CE2-CB 4.2Å; F184-W217 AromaticContact CE2-CD2 3.88Å; F184-W217 HydrophobicContact CE2-CD2 3.88Å; F184-W217 HydrophobicContact CE2-CE3 4.13Å; F184-W217 AromaticContact CE2-CG 3.91Å; F184-W217 HydrophobicContact CE2-CG 3.91Å; F184-W217 HydrophobicContact CG-CB 4.42Å; F184-G232 CarbonylContact O-C 3.58Å; F184-G232 VanDerWaalsContact O-C 3.28Å; F184-G232 VanDerWaalsContact O-CA 3.24Å; F184-G232 WeakPolarHBondContact O-CA 3.2Å; F184-K233 HydrophobicContact CB-CB 3.86Å; F184-K233 HydrophobicContact CD1-CB 4.17Å; F184-K233 HydrophobicContact CD1-CG 4.1Å; F184-K233 HydrophobicContact CD2-CB 4.35Å; F184-K233 HydrophobicContact CE1-CG 4.41Å; F184-K233 HydrophobicContact CG-CB 3.86Å; F184-K233 HydrophobicContact CG-CG 4.23Å; F184-A261 HydrophobicContact CB-CB 4.24Å; F184-A261 WeakPolarHBondContact O-CA 3.36Å; F184-A261 WeakPolarHBondContact O-CB 3.49Å
185G89.8Confident90.1Very high0 Ų029.3 Ų29.30%016%0.157CC..SBendtrans75.314.7-175.600000114.3N182 L187 G188 H263N182-G185 PolarHBondContact O-N 3.21Å; N182-G185 WeakPolarHBondContact OD1-CA 3.48Å; G185-L187 PolarHBondContact O-N 2.76Å; G185-L187 VanDerWaalsContact O-N 3.1Å; G185-G188 PolarHBondContact O-N 3.28Å; G185-H263 WeakPolarHBondContact CA-ND1 3.04Å
186Q93.8Very high90.7Very high0 Ų032.7 Ų32.70%018%0.18CC..THydrogen-bonded Turntrans-66.2-8.9-175.469.8-86.322.400114.8H155 S181 N182 F184 W217 S219 W231H155-Q186 HydrophobicContact CB-CG 4.22Å; S181-Q186 PolarHBondContact O-NE2 3.01Å; S181-Q186 PolarHBondContact OG-NE2 3.31Å; N182-Q186 VanDerWaalsContact C-OE1 3.23Å; N182-Q186 PolarHBondContact OD1-N 2.93Å; F184-Q186 VanDerWaalsContact C-N 3.29Å; F184-Q186 PolarHBondContact O-N 2.9Å; Q186-W217 WeakPolarHBondContact CB-O 3.39Å; Q186-W217 VanDerWaalsContact NE2-CE3 3.31Å; Q186-S219 WeakPolarHBondContact O-CB 3.38Å; Q186-S219 PolarHBondContact O-OG 3.34Å; Q186-W231 VanDerWaalsContact O-CD1 3.3Å; Q186-W231 PolarHBondContact O-NE1 2.93Å
187L94.3Very high90.7Very high0 Ų034.1 Ų34.10%019%0.19CC..THydrogen-bonded Turntrans-81.3-14.5169.1-56-172.1000113.3H155 A178 W179 S181 N182 G185 L189 I201H155-L187 HydrophobicContact CB-CD2 3.82Å; A178-L187 HydrophobicContact CB-CB 4.03Å; A178-L187 HydrophobicContact CB-CD2 3.94Å; A178-L187 WeakPolarHBondContact CB-O 3.19Å; W179-L187 WeakPolarHBondContact O-CD2 3.3Å; S181-L187 WeakPolarHBondContact O-CD2 3.14Å; S181-L187 WeakPolarHBondContact O-CG 3.41Å; N182-L187 HydrophobicContact CB-CB 4.4Å; N182-L187 HydrophobicContact CB-CD1 3.64Å; N182-L187 HydrophobicContact CB-CG 3.68Å; N182-L187 WeakPolarHBondContact OD1-CB 3.21Å; N182-L187 WeakPolarHBondContact OD1-CG 3.42Å; N182-L187 PolarHBondContact OD1-N 3.45Å; G185-L187 PolarHBondContact O-N 2.76Å; G185-L187 VanDerWaalsContact O-N 3.1Å; L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 HydrophobicContact CB-CD1 3.86Å; L187-L189 HydrophobicContact CB-CG 3.78Å; L187-L189 HydrophobicContact CD1-CD1 3.98Å; L187-L189 PolarHBondContact O-N 2.91Å; L187-I201 WeakPolarHBondContact O-CD1 3.37Å; L187-I201 WeakPolarHBondContact O-CG1 3.18Å
188G91.1Very high90.6Very high0 Ų034.1 Ų34.10%019%0.192CC..  trans73.917.317600000114.8G185 W231 H263G185-G188 PolarHBondContact O-N 3.28Å; G188-W231 VanDerWaalsContact CA-CD1 3.41Å; G188-W231 VanDerWaalsContact N-CD1 3.31Å; G188-H263 CarbonylContact C-O 3.46Å; G188-H263 WeakPolarHBondContact CA-O 3.48Å
189L86.4Confident90.3Very high35 Ų3537.6 Ų37.618%0.18321%0.208CC..SBendtrans-89.42.1-171.9-55.9177.5000114.4L187 H191 Q199 I201 H263L187-L189 VanDerWaalsContact C-N 3.3Å; L187-L189 HydrophobicContact CB-CD1 3.86Å; L187-L189 HydrophobicContact CB-CG 3.78Å; L187-L189 HydrophobicContact CD1-CD1 3.98Å; L187-L189 PolarHBondContact O-N 2.91Å; L189-H191 VanDerWaalsContact C-N 3.32Å; L189-Q199 HydrophobicContact CD1-CB 3.8Å; L189-Q199 HydrophobicContact CD1-CG 3.99Å; L189-Q199 HydrophobicContact CD2-CB 3.7Å; L189-Q199 HydrophobicContact CG-CB 4.41Å; L189-I201 HydrophobicContact CD2-CG1 4.46Å; L189-H263 PolarHBondContact N-O 2.81Å
190G82.3Confident90Very high28 Ų2839 Ų3929%0.28922%0.217SC..SBendtrans80.66-176.800000115.6H263 H264G190-H263 VanDerWaalsContact C-CB 3.5Å; G190-H263 WeakPolarHBondContact CA-O 3.28Å; G190-H263 PolarHBondContact N-O 3.24Å; G190-H264 WeakPolarHBondContact CA-CE1 3.04Å; G190-H264 WeakPolarHBondContact CA-NE2 3.44Å
191H82.7Confident89.7Confident80 Ų8039 Ų3937%0.3722%0.217SC..SBendtrans-145.8177.4175.259.265.5000111.4N182 L189 K193N182-H191 PolarHBondContact ND2-O 2.91Å; L189-H191 VanDerWaalsContact C-N 3.32Å; H191-K193 PolarHBondContact ND1-N 2.78Å; H191-K193 PolarHBondContact ND1-O 3.38Å
192V86Confident89.1Confident66 Ų6641.9 Ų41.940%0.424%0.241SC..  trans-104.94.7178.4-65.50000115.3N182 H263N182-V192 CarbonylContact C-O 3.58Å; N182-V192 CarbonylContact O-C 3.52Å; N182-V192 VanDerWaalsContact O-CA 3.24Å; N182-V192 WeakPolarHBondContact O-CA 3.44Å; N182-V192 WeakPolarHBondContact O-CB 3.46Å; V192-H263 WeakPolarHBondContact CG1-CE1 3.33Å; V192-H263 WeakPolarHBondContact CG1-ND1 3.32Å
193K86.1Confident88.5Confident153 Ų15346.4 Ų46.467%0.66526%0.262SS*.  trans-68.9129.4176.3-63.6-179.9-180176.90110.5N182 H191N182-K193 WeakPolarHBondContact CB-O 3.31Å; N182-K193 PolarHBondContact ND2-O 2.89Å; H191-K193 PolarHBondContact ND1-N 2.78Å; H191-K193 PolarHBondContact ND1-O 3.38Å
194P90.6Very high88.4Confident76 Ų7642.6 Ų42.649%0.49424%0.241SC..  trans-64.2157.8173.429.5-35.7000110.4G180G180-P194 WeakPolarHBondContact O-CA 3.33Å; G180-P194 WeakPolarHBondContact O-CB 3.5Å
195S90.9Very high88.1Confident10 Ų1041.1 Ų41.17%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-129.5115.9178-172.50000110.8W179 G180 S197 Q199W179-S195 WeakPolarHBondContact CB-O 3.48Å; G180-S195 PolarHBondContact N-O 3.41Å; G180-S195 PolarHBondContact O-N 3.3Å; S195-S197 PolarHBondContact O-N 2.91Å; S195-S197 PolarHBondContact OG-O 2.7Å; S195-Q199 WeakPolarHBondContact OG-CG 3.3Å
196P91.3Very high88Confident78 Ų7841.2 Ų41.251%0.50624%0.235SC..EExtended strand (participates in β ladder)trans-78.2-4.3177.933.4-36.2000113.7G122G122-P196 CarbonylContact C-O 3.6Å; G122-P196 VanDerWaalsContact C-O 3.24Å; G122-P196 WeakPolarHBondContact CA-O 3.29Å
197S90Very high87.9Confident31 Ų3141.2 Ų41.222%0.21724%0.235CC..EExtended strand (participates in β ladder)trans-126.8152.6175.359.80000110.8W179 S195 Q199W179-S197 WeakPolarHBondContact CB-O 3Å; S195-S197 PolarHBondContact O-N 2.91Å; S195-S197 PolarHBondContact OG-O 2.7Å; S197-Q199 PolarHBondContact O-N 3.27Å; S197-Q199 PolarHBondContact OG-NE2 3.42Å
198P92.1Very high87.8Confident22 Ų2241.2 Ų41.214%0.14324%0.235CC..EExtended strand (participates in β ladder)trans-53130.9174.8-26.133.9000113G122 V141 L143 H177 W179G122-P198 WeakPolarHBondContact O-CD 3.31Å; V141-P198 HydrophobicContact CG1-CG 3.35Å; L143-P198 HydrophobicContact CD1-CB 3.87Å; L143-P198 HydrophobicContact CD1-CG 3.71Å; L143-P198 HydrophobicContact CD2-CB 3.8Å; L143-P198 HydrophobicContact CD2-CG 4.17Å; L143-P198 HydrophobicContact CG-CB 3.94Å; L143-P198 HydrophobicContact CG-CG 3.75Å; H177-P198 HydrophobicContact CB-CB 4.28Å; W179-P198 HydrophobicContact CD2-CG 4.12Å; W179-P198 HydrophobicContact CE3-CB 3.95Å; W179-P198 HydrophobicContact CE3-CG 3.93Å; W179-P198 HydrophobicContact CZ3-CG 4.43Å
199Q90Very high87.8Confident72 Ų7241.2 Ų41.234%0.33624%0.236SC..EExtended strand (participates in β ladder)trans-123131175.7-63.3-61.9-49.400110.8H177 A178 L189 S195 S197H177-Q199 CarbonylContact C-O 3.47Å; H177-Q199 VanDerWaalsContact CA-O 3.28Å; H177-Q199 WeakPolarHBondContact CA-O 3.47Å; A178-Q199 PolarHBondContact N-O 3.04Å; A178-Q199 PolarHBondContact O-N 2.88Å; L189-Q199 HydrophobicContact CD1-CB 3.8Å; L189-Q199 HydrophobicContact CD1-CG 3.99Å; L189-Q199 HydrophobicContact CD2-CB 3.7Å; L189-Q199 HydrophobicContact CG-CB 4.41Å; S195-Q199 WeakPolarHBondContact OG-CG 3.3Å; S197-Q199 PolarHBondContact O-N 3.27Å; S197-Q199 PolarHBondContact OG-NE2 3.42Å
200P89Confident88Confident29 Ų2940.5 Ų40.519%0.18824%0.235CC..EExtended strand (participates in β ladder)trans-71.1134.8177.427.3-33.3000112A202P200-A202 PolarHBondContact O-N 2.84Å
201I89.4Confident88.5Confident1 Ų139.9 Ų39.91%0.00522%0.224CC..  trans-89.691.3177.1-51.8179.2000109.7V176 A178 L187 L189 H203 L204 W231 P265V176-I201 HydrophobicContact CB-CD1 4.24Å; V176-I201 HydrophobicContact CG1-CD1 3.77Å; V176-I201 HydrophobicContact CG1-CG1 4.48Å; V176-I201 WeakPolarHBondContact O-CG1 3.44Å; V176-I201 PolarHBondContact O-N 3.47Å; A178-I201 HydrophobicContact CB-CD1 4.05Å; A178-I201 HydrophobicContact CB-CG1 4.3Å; L187-I201 WeakPolarHBondContact O-CD1 3.37Å; L187-I201 WeakPolarHBondContact O-CG1 3.18Å; L189-I201 HydrophobicContact CD2-CG1 4.46Å; I201-H203 PolarHBondContact O-N 2.79Å; I201-L204 HydrophobicContact CB-CD1 4.27Å; I201-L204 HydrophobicContact CD1-CD1 4.28Å; I201-L204 HydrophobicContact CG2-CB 4.48Å; I201-L204 HydrophobicContact CG2-CD1 3.89Å; I201-L204 HydrophobicContact CG2-CG 3.93Å; I201-L204 PolarHBondContact O-N 3.01Å; I201-W231 HydrophobicContact CD1-CZ2 3.74Å; I201-P265 HydrophobicContact CG2-CG 3.74Å
202A82.2Confident89.2Confident63 Ų6336.4 Ų36.452%0.52121%0.208SC..G310 helixtrans-59.4-31.2-176.100000114.4D173 P200 L204 Y205D173-A202 WeakPolarHBondContact O-CA 3.38Å; P200-A202 PolarHBondContact O-N 2.84Å; A202-L204 PolarHBondContact O-N 2.92Å; A202-L204 VanDerWaalsContact O-N 3.08Å; A202-Y205 WeakPolarHBondContact O-CB 3.41Å; A202-Y205 PolarHBondContact O-N 3.18Å; A202-Y205 VanDerWaalsContact O-N 3.13Å
203H80.9Confident89.7Confident95 Ų9534.2 Ų34.244%0.4419%0.194SC..G310 helixtrans-69.7-4.4-178.4-70.480.4000114.3I201 H264 P265 P509I201-H203 PolarHBondContact O-N 2.79Å; H203-H264 AromaticContact CD2-ND1 3.67Å; H203-H264 AromaticContact CE1-CE1 3.31Å; H203-H264 PolarHBondContact CE1-CE1 3.02Å; H203-H264 AromaticContact CE1-ND1 3.12Å; H203-H264 PolarHBondContact CE1-ND1 3.48Å; H203-H264 AromaticContact CG-ND1 3.7Å; H203-H264 AromaticContact ND1-CE1 3.92Å; H203-H264 AromaticContact ND1-ND1 3.34Å; H203-H264 PolarHBondContact ND1-ND1 3.48Å; H203-H264 AromaticContact NE2-CE1 3.59Å; H203-H264 AromaticContact NE2-ND1 3.3Å; H203-H264 PolarHBondContact NE2-ND1 3.3Å; H203-P265 HydrophobicContact CB-CG 4.34Å; H203-P509 WeakPolarHBondContact O-CB 3.46Å
204L87.3Confident90.2Very high1 Ų127.7 Ų27.71%0.00517%0.168CC..G310 helixtrans-108.6-2.7176.8-66178.2000112.5V176 I201 A202 I207 F209 A221 Y229 W231 P265V176-L204 HydrophobicContact CB-CD1 4.18Å; V176-L204 HydrophobicContact CG2-CD1 4.07Å; I201-L204 HydrophobicContact CB-CD1 4.27Å; I201-L204 HydrophobicContact CD1-CD1 4.28Å; I201-L204 HydrophobicContact CG2-CB 4.48Å; I201-L204 HydrophobicContact CG2-CD1 3.89Å; I201-L204 HydrophobicContact CG2-CG 3.93Å; I201-L204 PolarHBondContact O-N 3.01Å; A202-L204 PolarHBondContact O-N 2.92Å; A202-L204 VanDerWaalsContact O-N 3.08Å; L204-I207 PolarHBondContact O-N 2.88Å; L204-F209 HydrophobicContact CB-CE2 3.75Å; L204-F209 HydrophobicContact CB-CZ 4.14Å; L204-F209 HydrophobicContact CD2-CE2 4.25Å; L204-F209 HydrophobicContact CD2-CZ 3.75Å; L204-F209 HydrophobicContact CG-CE2 4.41Å; L204-F209 HydrophobicContact CG-CZ 4.37Å; L204-F209 WeakPolarHBondContact O-CE2 3.22Å; L204-A221 HydrophobicContact CD1-CB 4.39Å; L204-Y229 HydrophobicContact CD2-CD1 4.17Å; L204-Y229 HydrophobicContact CD2-CG 4.11Å; L204-W231 HydrophobicContact CD1-CH2 3.69Å; L204-W231 HydrophobicContact CD1-CZ2 4.36Å; L204-W231 HydrophobicContact CD1-CZ3 3.95Å; L204-P265 HydrophobicContact CD1-CB 4.4Å; L204-P265 HydrophobicContact CD1-CG 4Å; L204-P265 HydrophobicContact CD2-CB 3.5Å; L204-P265 HydrophobicContact CD2-CG 3.87Å; L204-P265 HydrophobicContact CG-CB 4.01Å; L204-P265 HydrophobicContact CG-CG 3.77Å
205Y84.8Confident90.4Very high23 Ų2324.4 Ų24.49%0.0915%0.148CC..THydrogen-bonded Turntrans-69.2142.1-173.6-169.2-109.2000112.6D173 V175 A202 L442 S503 P509D173-Y205 HydrophobicContact CB-CD1 3.67Å; D173-Y205 HydrophobicContact CB-CD2 3.93Å; D173-Y205 HydrophobicContact CB-CE1 3.63Å; D173-Y205 HydrophobicContact CB-CE2 3.97Å; D173-Y205 HydrophobicContact CB-CG 3.79Å; D173-Y205 WeakPolarHBondContact OD2-CE1 3.48Å; V175-Y205 HydrophobicContact CG2-CD2 3.96Å; V175-Y205 HydrophobicContact CG2-CE2 3.94Å; A202-Y205 WeakPolarHBondContact O-CB 3.41Å; A202-Y205 PolarHBondContact O-N 3.18Å; A202-Y205 VanDerWaalsContact O-N 3.13Å; Y205-L442 HydrophobicContact CD1-CD2 4.4Å; Y205-L442 HydrophobicContact CE1-CB 4.26Å; Y205-L442 HydrophobicContact CE1-CD2 3.96Å; Y205-S503 VanDerWaalsContact CE1-CB 3.43Å; Y205-S503 VanDerWaalsContact CE1-OG 3.29Å; Y205-S503 WeakPolarHBondContact CE1-OG 3.28Å; Y205-S503 WeakPolarHBondContact OH-CB 3.4Å; Y205-S503 PolarHBondContact OH-OG 3.3Å; Y205-P509 VanDerWaalsContact O-CG 3.28Å; Y205-P509 WeakPolarHBondContact O-CG 3.38Å
206G87.1Confident90.6Very high2 Ų224 Ų242%0.02115%0.146CC..THydrogen-bonded Turntrans89-4.6-175.300000115.6N443 N446 A513G206-N443 WeakPolarHBondContact CA-OD1 3.5Å; G206-N443 PolarHBondContact N-OD1 3.24Å; G206-N446 PolarHBondContact O-ND2 3.11Å; G206-A513 WeakPolarHBondContact O-CA 3.38Å
207I91.2Very high90.8Very high0 Ų022.5 Ų22.50%013%0.13CC..SBendtrans-104.5128.8177.8-61.9165.4000110.5L204 F209 Y229 N443 P509 A513L204-I207 PolarHBondContact O-N 2.88Å; I207-F209 HydrophobicContact CB-CD2 4.4Å; I207-F209 HydrophobicContact CB-CE2 3.65Å; I207-F209 HydrophobicContact CB-CZ 3.76Å; I207-F209 HydrophobicContact CD1-CZ 4.25Å; I207-F209 HydrophobicContact CG2-CD1 4.46Å; I207-F209 HydrophobicContact CG2-CD2 4.36Å; I207-F209 HydrophobicContact CG2-CE1 3.94Å; I207-F209 HydrophobicContact CG2-CE2 3.8Å; I207-F209 HydrophobicContact CG2-CZ 3.55Å; I207-F209 VanDerWaalsContact O-CD2 3.22Å; I207-F209 WeakPolarHBondContact O-CD2 3.45Å; I207-F209 PolarHBondContact O-N 3.41Å; I207-F209 VanDerWaalsContact O-N 3.15Å; I207-Y229 HydrophobicContact CD1-CE1 4.08Å; I207-Y229 HydrophobicContact CD1-CE2 3.94Å; I207-Y229 VanDerWaalsContact CD1-OH 3.27Å; I207-Y229 WeakPolarHBondContact CD1-OH 3.34Å; I207-Y229 HydrophobicContact CG2-CE2 4.5Å; I207-N443 PolarHBondContact N-OD1 3.09Å; I207-N443 VanDerWaalsContact O-CG 3.25Å; I207-N443 PolarHBondContact O-ND2 2.96Å; I207-N443 PolarHBondContact O-OD1 2.96Å; I207-P509 HydrophobicContact CD1-CB 4.12Å; I207-P509 HydrophobicContact CD1-CG 3.71Å; I207-P509 HydrophobicContact CG1-CG 4.15Å; I207-A513 HydrophobicContact CG1-CB 4.26Å
208P91.6Very high91Very high0 Ų021 Ų210%012%0.12CC..  trans-76.9101.1177.830-33000111.2S223 S224 I412P208-S223 CarbonylContact O-C 3.5Å; P208-S223 WeakPolarHBondContact O-CA 3.4Å; P208-S224 PolarHBondContact O-N 3.34Å; P208-S224 PolarHBondContact O-OG 2.88Å; P208-I412 HydrophobicContact CB-CD1 3.7Å
209F92Very high91.3Very high1 Ų120 Ų200%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-82.7136.6177.7-69.3-73.8000113.1L159 V176 L204 I207 A221 Y229L159-F209 HydrophobicContact CD1-CB 4.07Å; L159-F209 HydrophobicContact CD2-CB 4.42Å; V176-F209 HydrophobicContact CG2-CD2 4.28Å; L204-F209 HydrophobicContact CB-CE2 3.75Å; L204-F209 HydrophobicContact CB-CZ 4.14Å; L204-F209 HydrophobicContact CD2-CE2 4.25Å; L204-F209 HydrophobicContact CD2-CZ 3.75Å; L204-F209 HydrophobicContact CG-CE2 4.41Å; L204-F209 HydrophobicContact CG-CZ 4.37Å; L204-F209 WeakPolarHBondContact O-CE2 3.22Å; I207-F209 HydrophobicContact CB-CD2 4.4Å; I207-F209 HydrophobicContact CB-CE2 3.65Å; I207-F209 HydrophobicContact CB-CZ 3.76Å; I207-F209 HydrophobicContact CD1-CZ 4.25Å; I207-F209 HydrophobicContact CG2-CD1 4.46Å; I207-F209 HydrophobicContact CG2-CD2 4.36Å; I207-F209 HydrophobicContact CG2-CE1 3.94Å; I207-F209 HydrophobicContact CG2-CE2 3.8Å; I207-F209 HydrophobicContact CG2-CZ 3.55Å; I207-F209 VanDerWaalsContact O-CD2 3.22Å; I207-F209 WeakPolarHBondContact O-CD2 3.45Å; I207-F209 PolarHBondContact O-N 3.41Å; I207-F209 VanDerWaalsContact O-N 3.15Å; F209-A221 HydrophobicContact CD1-CB 3.43Å; F209-A221 VanDerWaalsContact CD1-CB 3.43Å; F209-A221 HydrophobicContact CE1-CB 3.43Å; F209-A221 VanDerWaalsContact CE1-CB 3.43Å; F209-A221 HydrophobicContact CG-CB 4.12Å; F209-A221 HydrophobicContact CZ-CB 4.13Å; F209-Y229 AromaticContact CE1-CD2 3.79Å; F209-Y229 HydrophobicContact CE1-CD2 3.79Å; F209-Y229 HydrophobicContact CE1-CE2 4.25Å; F209-Y229 HydrophobicContact CZ-CD2 4.06Å; F209-Y229 HydrophobicContact CZ-CE2 4.33Å
210A90.8Very high91.6Very high20 Ų2016.5 Ų16.517%0.16510%0.097CC..EExtended strand (participates in β ladder)trans-103.8-21.8175.300000112.9Q148 N222Q148-A210 PolarHBondContact NE2-O 2.69Å; A210-N222 PolarHBondContact N-O 3.22Å
211Q93.4Very high92Very high15 Ų1515.1 Ų15.17%0.079%0.088CC..EExtended strand (participates in β ladder)trans-149.4134.8-179.8-163.4-174.36.300111I213 A221 N222 L279Q211-I213 HydrophobicContact CG-CG2 3.97Å; Q211-I213 VanDerWaalsContact NE2-CG2 3.34Å; Q211-A221 CarbonylContact O-C 3.5Å; Q211-A221 WeakPolarHBondContact O-CA 3.23Å; Q211-N222 HydrophobicContact CB-CB 4.17Å; Q211-N222 PolarHBondContact N-O 3.49Å; Q211-N222 VanDerWaalsContact N-O 3.16Å; Q211-N222 PolarHBondContact O-N 3.31Å; Q211-L279 PolarHBondContact NE2-O 2.95Å
212I96Very high92.2Very high6 Ų615.2 Ų15.23%0.0319%0.088CC..EExtended strand (participates in β ladder)trans-111.9142.2160.454.6164.4000109.5Q148 A150 L157 L159 V176 F220 A221Q148-I212 HydrophobicContact CB-CD1 4.21Å; Q148-I212 HydrophobicContact CB-CG1 3.95Å; A150-I212 HydrophobicContact CB-CD1 4.46Å; A150-I212 HydrophobicContact CB-CG1 4.41Å; L157-I212 HydrophobicContact CB-CD1 3.85Å; L159-I212 HydrophobicContact CB-CD1 3.9Å; L159-I212 HydrophobicContact CB-CG1 4.19Å; L159-I212 HydrophobicContact CB-CG2 4.31Å; L159-I212 HydrophobicContact CD1-CG2 4.45Å; V176-I212 HydrophobicContact CG1-CG2 4.19Å; V176-I212 HydrophobicContact CG2-CG2 4.12Å; I212-F220 WeakPolarHBondContact CA-O 2.99Å; I212-A221 HydrophobicContact CG2-CB 4.3Å
213I96.5Very high92.7Very high21 Ų2112.2 Ų12.211%0.1086%0.064CC..EExtended strand (participates in β ladder)trans-145.6159.4173.663.4170000110.6L157 Q211 F220 L279 C281L157-I213 WeakPolarHBondContact CD1-O 3.29Å; Q211-I213 HydrophobicContact CG-CG2 3.97Å; Q211-I213 VanDerWaalsContact NE2-CG2 3.34Å; I213-F220 HydrophobicContact CD1-CB 4.28Å; I213-F220 HydrophobicContact CG1-CB 3.74Å; I213-F220 PolarHBondContact N-O 2.74Å; I213-F220 PolarHBondContact O-N 2.63Å; I213-L279 HydrophobicContact CD1-CB 3.32Å; I213-L279 HydrophobicContact CG1-CB 4.27Å; I213-C281 HydrophobicContact CD1-CB 4.39Å; I213-C281 WeakPolarHBondContact CD1-SG 3.49Å
214A97.2Very high93.3Very high15 Ų159.1 Ų9.112%0.1245%0.052CC..EExtended strand (participates in β ladder)trans-131.4140.9170.800000109.7L157 H218L157-A214 HydrophobicContact CD1-CB 4.15Å; A214-H218 WeakPolarHBondContact CA-O 3.39Å
215G95.2Very high93.6Very high7 Ų79.1 Ų9.17%0.0725%0.052CC..  trans-93.6-155160.600000109.7G152 H218 G282G152-G215 WeakPolarHBondContact CA-O 3.4Å; G215-H218 PolarHBondContact N-O 3.48Å; G215-G282 WeakPolarHBondContact CA-O 3.49Å
216S94.6Very high94Very high2 Ų28 Ų81%0.0145%0.049CC..SBendtrans-62.2-56.2-175.7179.70000113.2N153 E283N153-S216 PolarHBondContact N-O 2.76Å; N153-S216 VanDerWaalsContact N-O 3.08Å; N153-S216 PolarHBondContact ND2-OG 3.38Å; N153-S216 WeakPolarHBondContact OD1-CA 3.42Å; N153-S216 WeakPolarHBondContact OD1-CB 3.36Å; N153-S216 PolarHBondContact OD1-OG 2.83Å; S216-E283 VanDerWaalsContact CB-O 3.22Å; S216-E283 WeakPolarHBondContact CB-O 3.38Å; S216-E283 PolarHBondContact N-O 3.19Å
217W95.5Very high94.3Very high46 Ų468 Ų817%0.1745%0.048CC..SBendtrans-130.625.4-176.2-60.7102.8000112.3Q154 S181 F184 Q186 K233Q154-W217 HydrophobicContact CB-CH2 4.35Å; Q154-W217 HydrophobicContact CB-CZ3 4.45Å; Q154-W217 HydrophobicContact CG-CH2 4.4Å; S181-W217 WeakPolarHBondContact OG-CZ3 3.32Å; F184-W217 HydrophobicContact CD2-CB 3.7Å; F184-W217 AromaticContact CD2-CD2 3.93Å; F184-W217 HydrophobicContact CD2-CD2 3.93Å; F184-W217 AromaticContact CD2-CE3 3.92Å; F184-W217 HydrophobicContact CD2-CE3 3.92Å; F184-W217 AromaticContact CD2-CG 3.86Å; F184-W217 HydrophobicContact CD2-CG 3.86Å; F184-W217 HydrophobicContact CE2-CB 4.2Å; F184-W217 AromaticContact CE2-CD2 3.88Å; F184-W217 HydrophobicContact CE2-CD2 3.88Å; F184-W217 HydrophobicContact CE2-CE3 4.13Å; F184-W217 AromaticContact CE2-CG 3.91Å; F184-W217 HydrophobicContact CE2-CG 3.91Å; F184-W217 HydrophobicContact CG-CB 4.42Å; Q186-W217 WeakPolarHBondContact CB-O 3.39Å; Q186-W217 VanDerWaalsContact NE2-CE3 3.31Å; W217-K233 HydrophobicContact CB-CB 3.75Å; W217-K233 HydrophobicContact CB-CD 3.83Å; W217-K233 HydrophobicContact CB-CG 4.44Å; W217-K233 HydrophobicContact CG-CD 4.27Å; W217-K233 VanDerWaalsContact O-CB 3.3Å; W217-K233 WeakPolarHBondContact O-CB 3.26Å; W217-K233 PolarHBondContact O-N 3.07Å
218H95.2Very high94.6Very high0 Ų08 Ų80%05%0.048CC..EExtended strand (participates in β ladder)trans-146.8159.7-178.166.5-89.8000110.4A214 G215 F220 W231 L239 C281 E283 T286A214-H218 WeakPolarHBondContact CA-O 3.39Å; G215-H218 PolarHBondContact N-O 3.48Å; H218-F220 AromaticContact CD2-CD2 3.8Å; H218-F220 AromaticContact CD2-CE2 3.46Å; H218-F220 VanDerWaalsContact CD2-CE2 3.46Å; H218-F220 WeakPolarHBondContact CD2-CE2 3.14Å; H218-W231 WeakPolarHBondContact CA-O 3.43Å; H218-W231 WeakPolarHBondContact CB-O 3.37Å; H218-L239 HydrophobicContact CB-CD2 3.99Å; H218-C281 PolarHBondContact NE2-SG 2.86Å; H218-E283 PolarHBondContact CE1-O 3.28Å; H218-T286 PolarHBondContact NE2-OG1 3.23Å
219S97.6Very high94.7Very high0 Ų08.3 Ų8.30%05%0.049CC..EExtended strand (participates in β ladder)trans-140.4148.3-168.6-65.90000110H155 Q186 G230 W231H155-S219 PolarHBondContact NE2-OG 3.23Å; Q186-S219 WeakPolarHBondContact O-CB 3.38Å; Q186-S219 PolarHBondContact O-OG 3.34Å; S219-G230 WeakPolarHBondContact O-CA 3.34Å; S219-W231 VanDerWaalsContact CB-NE1 3.3Å; S219-W231 PolarHBondContact N-O 3.47Å; S219-W231 PolarHBondContact O-N 3.13Å
220F97.5Very high94.9Very high0 Ų08.2 Ų8.20%05%0.049CC..EExtended strand (participates in β ladder)trans-139.4152.6177.4-75.8-92.5000112.3I212 I213 H218 V228 Y229 G230 Q238 L239 L268 L279 T286 F298I212-F220 WeakPolarHBondContact CA-O 2.99Å; I213-F220 HydrophobicContact CD1-CB 4.28Å; I213-F220 HydrophobicContact CG1-CB 3.74Å; I213-F220 PolarHBondContact N-O 2.74Å; I213-F220 PolarHBondContact O-N 2.63Å; H218-F220 AromaticContact CD2-CD2 3.8Å; H218-F220 AromaticContact CD2-CE2 3.46Å; H218-F220 VanDerWaalsContact CD2-CE2 3.46Å; H218-F220 WeakPolarHBondContact CD2-CE2 3.14Å; F220-V228 HydrophobicContact CD1-CG1 3.62Å; F220-V228 HydrophobicContact CE1-CG1 4Å; F220-Y229 CarbonylContact C-O 3.47Å; F220-Y229 WeakPolarHBondContact CA-O 3.04Å; F220-Y229 VanDerWaalsContact CD1-O 3.28Å; F220-Y229 WeakPolarHBondContact CD1-O 3.26Å; F220-G230 VanDerWaalsContact CD1-CA 3.41Å; F220-Q238 WeakPolarHBondContact CZ-O 3.24Å; F220-L239 HydrophobicContact CE2-CD2 4.1Å; F220-L239 HydrophobicContact CZ-CD2 3.95Å; F220-L268 HydrophobicContact CE1-CD1 3.92Å; F220-L268 HydrophobicContact CE1-CD2 3.88Å; F220-L279 HydrophobicContact CB-CD1 4.02Å; F220-L279 HydrophobicContact CD1-CD1 4.34Å; F220-L279 HydrophobicContact CG-CD1 4.41Å; F220-T286 HydrophobicContact CD2-CG2 4.39Å; F220-T286 HydrophobicContact CE2-CG2 3.9Å; F220-T286 WeakPolarHBondContact CE2-OG1 3.42Å; F220-T286 HydrophobicContact CZ-CG2 4.12Å; F220-F298 HydrophobicContact CZ-CE2 4.06Å; F220-F298 HydrophobicContact CZ-CZ 4.38Å
221A95.4Very high95Very high0 Ų07.3 Ų7.30%04%0.041CC..EExtended strand (participates in β ladder)trans-131.3131.5166.100000110.2L204 F209 Q211 I212 Y229 W231L204-A221 HydrophobicContact CD1-CB 4.39Å; F209-A221 HydrophobicContact CD1-CB 3.43Å; F209-A221 VanDerWaalsContact CD1-CB 3.43Å; F209-A221 HydrophobicContact CE1-CB 3.43Å; F209-A221 VanDerWaalsContact CE1-CB 3.43Å; F209-A221 HydrophobicContact CG-CB 4.12Å; F209-A221 HydrophobicContact CZ-CB 4.13Å; Q211-A221 CarbonylContact O-C 3.5Å; Q211-A221 WeakPolarHBondContact O-CA 3.23Å; I212-A221 HydrophobicContact CG2-CB 4.3Å; A221-Y229 PolarHBondContact N-O 2.95Å; A221-Y229 PolarHBondContact O-N 3.4Å; A221-W231 HydrophobicContact CB-CH2 3.96Å; A221-W231 HydrophobicContact CB-CZ3 4.06Å
222N94.3Very high95.1Very high2 Ų26.6 Ų6.61%0.0114%0.038CC..EExtended strand (participates in β ladder)trans-109.1123.4175.7-174.828.5000110.1A210 Q211 G226 C227 I276 L279A210-N222 PolarHBondContact N-O 3.22Å; Q211-N222 HydrophobicContact CB-CB 4.17Å; Q211-N222 PolarHBondContact N-O 3.49Å; Q211-N222 VanDerWaalsContact N-O 3.16Å; Q211-N222 PolarHBondContact O-N 3.31Å; N222-G226 WeakPolarHBondContact OD1-CA 3.41Å; N222-C227 PolarHBondContact OD1-O 3.48Å; N222-I276 PolarHBondContact ND2-O 2.94Å; N222-L279 HydrophobicContact CB-CD1 3.88Å; N222-L279 HydrophobicContact CB-CG 4.4Å
223S93.7Very high94.9Very high1 Ų17.7 Ų7.71%0.0074%0.042CC..EExtended strand (participates in β ladder)trans-70158175.963.50000112.2P208 S225 G226 C227 E512P208-S223 CarbonylContact O-C 3.5Å; P208-S223 WeakPolarHBondContact O-CA 3.4Å; S223-S225 PolarHBondContact O-N 3.27Å; S223-S225 VanDerWaalsContact O-N 3.09Å; S223-G226 PolarHBondContact O-N 3.45Å; S223-G226 PolarHBondContact OG-N 2.76Å; S223-C227 PolarHBondContact N-O 2.88Å; S223-C227 WeakPolarHBondContact OG-CA 3.35Å; S223-C227 WeakPolarHBondContact OG-CB 3.36Å; S223-C227 PolarHBondContact OG-N 3.22Å; S223-C227 PolarHBondContact OG-O 2.89Å; S223-E512 WeakPolarHBondContact CB-OE2 3.32Å; S223-E512 PolarHBondContact OG-OE1 2.92Å; S223-E512 PolarHBondContact OG-OE2 2.98Å
224S91.7Very high94.7Very high29 Ų296.7 Ų6.720%0.2034%0.037CC..THydrogen-bonded Turntrans-60.8-16.9171.8-59.30000113.4P208 R456P208-S224 PolarHBondContact O-N 3.34Å; P208-S224 PolarHBondContact O-OG 2.88Å; S224-R456 WeakPolarHBondContact O-CD 3.06Å; S224-R456 PolarHBondContact O-NE 2.8Å
225S94Very high94.4Very high1 Ų17.9 Ų7.91%0.0075%0.045CC..THydrogen-bonded Turntrans-100.17.3176.3-63.30000113.4S223 R456 F457 E512 R515S223-S225 PolarHBondContact O-N 3.27Å; S223-S225 VanDerWaalsContact O-N 3.09Å; S225-R456 VanDerWaalsContact CB-O 3.28Å; S225-R456 WeakPolarHBondContact CB-O 3.47Å; S225-R456 PolarHBondContact OG-O 2.88Å; S225-F457 WeakPolarHBondContact O-CA 3.33Å; S225-F457 WeakPolarHBondContact O-CD1 3.45Å; S225-E512 WeakPolarHBondContact CB-OE1 3.33Å; S225-R515 PolarHBondContact OG-NH1 2.71Å; S225-R515 PolarHBondContact OG-NH2 3.37Å
226G93.2Very high94.3Very high1 Ų18.5 Ų8.51%0.015%0.047CC..SBendtrans79.98.8171.500000116.2N222 S223 I276N222-G226 WeakPolarHBondContact OD1-CA 3.41Å; S223-G226 PolarHBondContact O-N 3.45Å; S223-G226 PolarHBondContact OG-N 2.76Å; G226-I276 VanDerWaalsContact CA-O 3.24Å; G226-I276 WeakPolarHBondContact CA-O 3.46Å
227C94.4Very high94.2Very high1 Ų18.4 Ų8.41%0.0075%0.047CC..  trans-71.5134.6163.8-70.90000110.6N222 S223 Y229 L267 E512N222-C227 PolarHBondContact OD1-O 3.48Å; S223-C227 PolarHBondContact N-O 2.88Å; S223-C227 WeakPolarHBondContact OG-CA 3.35Å; S223-C227 WeakPolarHBondContact OG-CB 3.36Å; S223-C227 PolarHBondContact OG-N 3.22Å; S223-C227 PolarHBondContact OG-O 2.89Å; C227-Y229 HydrophobicContact CB-CE2 4.03Å; C227-L267 HydrophobicContact CB-CD1 3.88Å; C227-E512 WeakPolarHBondContact CB-OE1 3.38Å; C227-E512 PolarHBondContact SG-OE1 3.33Å
228V96.1Very high94.1Very high0 Ų06.2 Ų6.20%04%0.038CC..EExtended strand (participates in β ladder)trans-111.9129.2-176176.80000110.2F220 L268 L271 I276 L279F220-V228 HydrophobicContact CD1-CG1 3.62Å; F220-V228 HydrophobicContact CE1-CG1 4Å; V228-L268 HydrophobicContact CB-CB 4.33Å; V228-L268 HydrophobicContact CB-CD2 4.49Å; V228-L268 HydrophobicContact CG1-CB 4.49Å; V228-L268 HydrophobicContact CG1-CD1 4.28Å; V228-L268 HydrophobicContact CG1-CD2 3.91Å; V228-L268 HydrophobicContact CG1-CG 4.46Å; V228-L268 PolarHBondContact O-N 3.49Å; V228-L271 HydrophobicContact CG2-CD1 4.29Å; V228-I276 HydrophobicContact CG2-CB 4.09Å; V228-I276 HydrophobicContact CG2-CG1 4.3Å; V228-I276 HydrophobicContact CG2-CG2 4.02Å; V228-L279 HydrophobicContact CB-CD1 4.36Å; V228-L279 HydrophobicContact CG1-CD1 3.52Å; V228-L279 HydrophobicContact CG1-CD2 4.23Å; V228-L279 HydrophobicContact CG1-CG 4.49Å; V228-L279 HydrophobicContact CG2-CD1 4.02Å; V228-L279 HydrophobicContact CG2-CD2 4.15Å; V228-L279 HydrophobicContact CG2-CG 4.42Å
229Y95Very high94.1Very high6 Ų66.2 Ų6.22%0.0244%0.038CC..EExtended strand (participates in β ladder)trans-115.6130.5175.5-64.2-101.6000109.2L204 I207 F209 F220 A221 C227 V266 L267L204-Y229 HydrophobicContact CD2-CD1 4.17Å; L204-Y229 HydrophobicContact CD2-CG 4.11Å; I207-Y229 HydrophobicContact CD1-CE1 4.08Å; I207-Y229 HydrophobicContact CD1-CE2 3.94Å; I207-Y229 VanDerWaalsContact CD1-OH 3.27Å; I207-Y229 WeakPolarHBondContact CD1-OH 3.34Å; I207-Y229 HydrophobicContact CG2-CE2 4.5Å; F209-Y229 AromaticContact CE1-CD2 3.79Å; F209-Y229 HydrophobicContact CE1-CD2 3.79Å; F209-Y229 HydrophobicContact CE1-CE2 4.25Å; F209-Y229 HydrophobicContact CZ-CD2 4.06Å; F209-Y229 HydrophobicContact CZ-CE2 4.33Å; F220-Y229 CarbonylContact C-O 3.47Å; F220-Y229 WeakPolarHBondContact CA-O 3.04Å; F220-Y229 VanDerWaalsContact CD1-O 3.28Å; F220-Y229 WeakPolarHBondContact CD1-O 3.26Å; A221-Y229 PolarHBondContact N-O 2.95Å; A221-Y229 PolarHBondContact O-N 3.4Å; C227-Y229 HydrophobicContact CB-CE2 4.03Å; Y229-V266 CarbonylContact C-O 3.14Å; Y229-V266 VanDerWaalsContact CA-O 3.26Å; Y229-V266 WeakPolarHBondContact CA-O 3.32Å; Y229-L267 HydrophobicContact CD1-CB 4.05Å; Y229-L267 HydrophobicContact CD2-CD1 4.44Å; Y229-L267 HydrophobicContact CE1-CB 3.75Å; Y229-L267 HydrophobicContact CE1-CD1 4.09Å; Y229-L267 HydrophobicContact CE1-CG 4.42Å; Y229-L267 HydrophobicContact CE2-CD1 3.99Å
230G94.9Very high93.9Very high0 Ų06.2 Ų6.20%04%0.038CC..EExtended strand (participates in β ladder)trans-130.6147.3-179.500000112.9S219 F220 V266S219-G230 WeakPolarHBondContact O-CA 3.34Å; F220-G230 VanDerWaalsContact CD1-CA 3.41Å; G230-V266 PolarHBondContact N-O 2.99Å; G230-V266 PolarHBondContact O-N 3.45Å
231W94.5Very high93.4Very high0 Ų07.9 Ų7.90%05%0.049CC..EExtended strand (participates in β ladder)trans-154.1167.4177.259.4100.2000112.4L157 Q186 G188 I201 L204 H218 S219 A221 P265L157-W231 HydrophobicContact CD2-CZ2 4.43Å; Q186-W231 VanDerWaalsContact O-CD1 3.3Å; Q186-W231 PolarHBondContact O-NE1 2.93Å; G188-W231 VanDerWaalsContact CA-CD1 3.41Å; G188-W231 VanDerWaalsContact N-CD1 3.31Å; I201-W231 HydrophobicContact CD1-CZ2 3.74Å; L204-W231 HydrophobicContact CD1-CH2 3.69Å; L204-W231 HydrophobicContact CD1-CZ2 4.36Å; L204-W231 HydrophobicContact CD1-CZ3 3.95Å; H218-W231 WeakPolarHBondContact CA-O 3.43Å; H218-W231 WeakPolarHBondContact CB-O 3.37Å; S219-W231 VanDerWaalsContact CB-NE1 3.3Å; S219-W231 PolarHBondContact N-O 3.47Å; S219-W231 PolarHBondContact O-N 3.13Å; A221-W231 HydrophobicContact CB-CH2 3.96Å; A221-W231 HydrophobicContact CB-CZ3 4.06Å; W231-P265 HydrophobicContact CD2-CB 4.17Å; W231-P265 HydrophobicContact CD2-CG 3.92Å; W231-P265 HydrophobicContact CE3-CB 3.61Å; W231-P265 HydrophobicContact CE3-CG 3.8Å; W231-P265 HydrophobicContact CG-CG 4.35Å; W231-P265 HydrophobicContact CZ3-CB 4.09Å; W231-P265 HydrophobicContact CZ3-CG 4.25Å
232G94.2Very high93Very high0 Ų09.6 Ų9.60%07%0.067CC..EExtended strand (participates in β ladder)trans103.6-147.4-175.700000113.9F184 R262F184-G232 CarbonylContact O-C 3.58Å; F184-G232 VanDerWaalsContact O-C 3.28Å; F184-G232 VanDerWaalsContact O-CA 3.24Å; F184-G232 WeakPolarHBondContact O-CA 3.2Å; G232-R262 PolarHBondContact N-O 3.07Å; G232-R262 PolarHBondContact O-N 2.68Å; G232-R262 VanDerWaalsContact O-N 3.08Å
233K92.9Very high92.5Very high30 Ų3011.6 Ų11.613%0.138%0.077CC..EExtended strand (participates in β ladder)trans-63.9134.1-179.6-173.2-175.7173.9-163.70111.4F184 W217 S235 Q238 D284F184-K233 HydrophobicContact CB-CB 3.86Å; F184-K233 HydrophobicContact CD1-CB 4.17Å; F184-K233 HydrophobicContact CD1-CG 4.1Å; F184-K233 HydrophobicContact CD2-CB 4.35Å; F184-K233 HydrophobicContact CE1-CG 4.41Å; F184-K233 HydrophobicContact CG-CB 3.86Å; F184-K233 HydrophobicContact CG-CG 4.23Å; W217-K233 HydrophobicContact CB-CB 3.75Å; W217-K233 HydrophobicContact CB-CD 3.83Å; W217-K233 HydrophobicContact CB-CG 4.44Å; W217-K233 HydrophobicContact CG-CD 4.27Å; W217-K233 VanDerWaalsContact O-CB 3.3Å; W217-K233 WeakPolarHBondContact O-CB 3.26Å; W217-K233 PolarHBondContact O-N 3.07Å; K233-S235 WeakPolarHBondContact CE-OG 3.43Å; K233-Q238 VanDerWaalsContact O-CG 3.29Å; K233-Q238 WeakPolarHBondContact O-CG 3.47Å; K233-Q238 PolarHBondContact O-NE2 3.12Å; K233-D284 WeakPolarHBondContact CE-OD1 3.37Å; K233-D284 VanDerWaalsContact NZ-CG 3.25Å; K233-D284 IonicContact NZ-OD1 3.46Å; K233-D284 PolarHBondContact NZ-OD1 2.99Å; K233-D284 IonicContact NZ-OD2 3.8Å; K233-D284 PolarHBondContact NZ-OD2 3Å
234N92.4Very high91.8Very high0 Ų014.3 Ų14.30%09%0.094CC..  trans-133.320.7178-16537.6000114.1C236 G237 Q238 L239 D243 T244 F245 C246N234-C236 PolarHBondContact O-N 3.02Å; N234-G237 PolarHBondContact O-N 3.43Å; N234-G237 WeakPolarHBondContact OD1-CA 3.47Å; N234-Q238 VanDerWaalsContact CA-OE1 3.26Å; N234-Q238 PolarHBondContact OD1-N 3.27Å; N234-L239 HydrophobicContact CB-CB 4.33Å; N234-L239 HydrophobicContact CB-CD1 3.79Å; N234-L239 HydrophobicContact CB-CG 3.86Å; N234-L239 WeakPolarHBondContact OD1-CB 3.46Å; N234-L239 PolarHBondContact OD1-N 3.13Å; N234-D243 PolarHBondContact ND2-O 3.31Å; N234-D243 PolarHBondContact ND2-OD1 3.24Å; N234-D243 VanDerWaalsContact ND2-OD1 3.07Å; N234-T244 CarbonylContact O-C 3.53Å; N234-T244 WeakPolarHBondContact O-CA 3.45Å; N234-F245 PolarHBondContact ND2-O 3.31Å; N234-C246 VanDerWaalsContact CB-SG 3.51Å
235S89.8Confident90.4Very high40 Ų4020.3 Ų20.328%0.2812%0.117SC..THydrogen-bonded Turntrans-58.9-24.1-175.262.30000114.9K233K233-S235 WeakPolarHBondContact CE-OG 3.43Å
236C92.7Very high88.3Confident19 Ų1920.6 Ų20.613%0.12812%0.118CC..THydrogen-bonded Turntrans-109.65.1179.1-59.60000112.4N234 Q238 G299N234-C236 PolarHBondContact O-N 3.02Å; C236-Q238 VanDerWaalsContact C-N 3.33Å; C236-G299 CarbonylContact O-C 3.45Å; C236-G299 VanDerWaalsContact O-C 3.29Å; C236-G299 VanDerWaalsContact O-CA 3.31Å; C236-G299 WeakPolarHBondContact O-CA 3.47Å
237G92Very high85.7Confident0 Ų025.8 Ų25.80%014%0.142CC..SBendtrans78.416.7-172.200000113.8N234 L239 G240N234-G237 PolarHBondContact O-N 3.43Å; N234-G237 WeakPolarHBondContact OD1-CA 3.47Å; G237-L239 PolarHBondContact O-N 3.31Å; G237-L239 VanDerWaalsContact O-N 3.1Å; G237-G240 PolarHBondContact O-N 3.23Å
238Q94.8Very high83.2Confident0 Ų030.4 Ų30.40%016%0.162CC..THydrogen-bonded Turntrans-65.3-11-176.966.1-93.652.800114.1F220 K233 N234 C236 D284 T286 F298F220-Q238 WeakPolarHBondContact CZ-O 3.24Å; K233-Q238 VanDerWaalsContact O-CG 3.29Å; K233-Q238 WeakPolarHBondContact O-CG 3.47Å; K233-Q238 PolarHBondContact O-NE2 3.12Å; N234-Q238 VanDerWaalsContact CA-OE1 3.26Å; N234-Q238 PolarHBondContact OD1-N 3.27Å; C236-Q238 VanDerWaalsContact C-N 3.33Å; Q238-D284 WeakPolarHBondContact CB-O 3.22Å; Q238-D284 PolarHBondContact NE2-OD1 3.25Å; Q238-D284 VanDerWaalsContact NE2-OD1 3.1Å; Q238-T286 PolarHBondContact O-OG1 2.97Å; Q238-F298 WeakPolarHBondContact O-CD2 3.42Å; Q238-F298 WeakPolarHBondContact O-CE2 3.46Å
239L94.2Very high80Confident0 Ų033.6 Ų33.60%019%0.185CC..THydrogen-bonded Turntrans-84.4-10.9169.6-59.9-173.8000113.4H218 F220 N234 G237 V241 R262 L268H218-L239 HydrophobicContact CB-CD2 3.99Å; F220-L239 HydrophobicContact CE2-CD2 4.1Å; F220-L239 HydrophobicContact CZ-CD2 3.95Å; N234-L239 HydrophobicContact CB-CB 4.33Å; N234-L239 HydrophobicContact CB-CD1 3.79Å; N234-L239 HydrophobicContact CB-CG 3.86Å; N234-L239 WeakPolarHBondContact OD1-CB 3.46Å; N234-L239 PolarHBondContact OD1-N 3.13Å; G237-L239 PolarHBondContact O-N 3.31Å; G237-L239 VanDerWaalsContact O-N 3.1Å; L239-V241 HydrophobicContact CB-CG1 4.29Å; L239-V241 HydrophobicContact CB-CG2 3.99Å; L239-V241 PolarHBondContact O-N 3.05Å; L239-R262 HydrophobicContact CD1-CB 4.06Å; L239-R262 HydrophobicContact CD1-CG 4.01Å; L239-L268 WeakPolarHBondContact O-CD1 3.36Å; L239-L268 VanDerWaalsContact O-CD2 3.22Å; L239-L268 WeakPolarHBondContact O-CD2 3.25Å; L239-L268 VanDerWaalsContact O-CG 3.27Å; L239-L268 WeakPolarHBondContact O-CG 3.49Å
240G93.8Very high76.9Confident0 Ų040.6 Ų40.60%022%0.216CC..  trans66.120.4173.700000115G237 S270 V315 P317G237-G240 PolarHBondContact O-N 3.23Å; G240-S270 PolarHBondContact O-OG 3.29Å; G240-V315 CarbonylContact C-O 3.57Å; G240-V315 VanDerWaalsContact C-O 3.24Å; G240-V315 WeakPolarHBondContact CA-O 3.46Å; G240-P317 VanDerWaalsContact O-CD 3.28Å; G240-P317 WeakPolarHBondContact O-CD 3.09Å
241V88.2Confident73.7Confident35 Ų3544.1 Ų44.121%0.21224%0.239CC..SBendtrans-91.11.4-172.5-73.30000113.7L239 D243 V266 L268 V315L239-V241 HydrophobicContact CB-CG1 4.29Å; L239-V241 HydrophobicContact CB-CG2 3.99Å; L239-V241 PolarHBondContact O-N 3.05Å; V241-D243 WeakPolarHBondContact CG2-OD1 3.25Å; V241-V266 HydrophobicContact CG1-CG1 4.13Å; V241-L268 HydrophobicContact CG1-CD1 4.09Å; V241-L268 HydrophobicContact CG1-CG 4.27Å; V241-V315 PolarHBondContact N-O 3.08Å
242G87.1Confident70.4Confident37 Ų3752.3 Ų52.338%0.38128%0.277SS..SBendtrans935.9177.300000115.1V315 L316G242-V315 WeakPolarHBondContact CA-O 3.36Å; G242-V315 PolarHBondContact N-O 3.11Å; G242-L316 VanDerWaalsContact CA-CD2 3.41Å
243D82.2Confident67.3Low43 Ų4357 Ų5723%0.2331%0.306CS..  trans-142.6167.3174.756.844.3000110.6N234 V241 F245 R262N234-D243 PolarHBondContact ND2-O 3.31Å; N234-D243 PolarHBondContact ND2-OD1 3.24Å; N234-D243 VanDerWaalsContact ND2-OD1 3.07Å; V241-D243 WeakPolarHBondContact CG2-OD1 3.25Å; D243-F245 HydrophobicContact CB-CB 4.18Å; D243-F245 HydrophobicContact CB-CD2 4.5Å; D243-F245 PolarHBondContact OD1-N 3Å; D243-R262 IonicContact OD1-CZ 3.24Å; D243-R262 IonicContact OD1-NH2 2.71Å; D243-R262 PolarHBondContact OD1-NH2 3.22Å; D243-R262 IonicContact OD2-CZ 3.98Å; D243-R262 IonicContact OD2-NH2 3.77Å; D243-R262 PolarHBondContact OD2-NH2 3.32Å
244T79.9Confident64.3Low58 Ų5862.4 Ų62.436%0.35634%0.341SS..SBendtrans-99-0.4161.753.60000111.5N234 V315N234-T244 CarbonylContact O-C 3.53Å; N234-T244 WeakPolarHBondContact O-CA 3.45Å; T244-V315 HydrophobicContact CG2-CG1 3.6Å
245F62Low61.4Low156 Ų15666.6 Ų66.668%0.68437%0.371SS*.  trans-72.1143.5176.3-81.2-80.8000109.7N234 D243N234-F245 PolarHBondContact ND2-O 3.31Å; D243-F245 HydrophobicContact CB-CB 4.18Å; D243-F245 HydrophobicContact CB-CD2 4.5Å; D243-F245 PolarHBondContact OD1-N 3Å
246C50.1Low58.4Low6 Ų675.1 Ų75.14%0.04140%0.403CS..  trans-117.3109.7173.7-480000103.2N234 F248 L260 A261 R262N234-C246 VanDerWaalsContact CB-SG 3.51Å; C246-F248 PolarHBondContact O-N 3.11Å; C246-L260 VanDerWaalsContact SG-CA 3.53Å; C246-L260 PolarHBondContact SG-O 3.35Å; C246-A261 CarbonylContact C-O 3.58Å; C246-A261 VanDerWaalsContact CB-O 3.3Å; C246-A261 WeakPolarHBondContact CB-O 3.32Å; C246-R262 HydrophobicContact CB-CG 4.25Å
247H38.5Very low55.5Low110 Ų11082.6 Ų82.651%0.50944%0.436SS..  trans-63.896.8-160-142.176.5000110.3S249H247-S249 PolarHBondContact O-N 3.14Å; H247-S249 VanDerWaalsContact O-N 3.13Å
248F42.2Very low52.5Low99 Ų9990 Ų9043%0.43448%0.476SS..  trans-64.3102.7159.3-94.8-77.5000107.1C246 F250 C251 T259C246-F248 PolarHBondContact O-N 3.11Å; F248-F250 VanDerWaalsContact C-N 3.3Å; F248-F250 PolarHBondContact O-N 2.61Å; F248-F250 VanDerWaalsContact O-N 3.12Å; F248-C251 HydrophobicContact CD1-CB 4.23Å; F248-C251 HydrophobicContact CE1-CB 4.13Å; F248-T259 WeakPolarHBondContact CD2-O 3.25Å; F248-T259 WeakPolarHBondContact CE2-O 3.23Å; F248-T259 WeakPolarHBondContact CZ-OG1 3.4Å
249S29.1Very low49.7Very low67 Ų6793.6 Ų93.647%0.46950%0.498SS..  trans-67.2104.2146.6-171.50000106.2H247H247-S249 PolarHBondContact O-N 3.14Å; H247-S249 VanDerWaalsContact O-N 3.13Å
250F29.6Very low47.2Very low153 Ų15396.7 Ų96.767%0.67151%0.514SS*.SBendtrans31.686.6160.6-94.8-99.5000117.7F248F248-F250 VanDerWaalsContact C-N 3.3Å; F248-F250 PolarHBondContact O-N 2.61Å; F248-F250 VanDerWaalsContact O-N 3.12Å
251C27.6Very low45Very low74 Ų7496.8 Ų96.850%0.552%0.515SS..  trans-129.892.8154.4-152.10000109F248 V253F248-C251 HydrophobicContact CD1-CB 4.23Å; F248-C251 HydrophobicContact CE1-CB 4.13Å; C251-V253 PolarHBondContact O-N 3.28Å; C251-V253 VanDerWaalsContact O-N 3.09Å
252H26Very low43.5Very low171 Ų17196.2 Ų96.279%0.79251%0.509SS*.  trans-79.675164.8-88.975.1000108.3
253V28Very low42.8Very low100 Ų10096.4 Ų96.461%0.60650%0.499SS*.  trans-87.7115.8155.9175.20000106.6C251 S255C251-V253 PolarHBondContact O-N 3.28Å; C251-V253 VanDerWaalsContact O-N 3.09Å; V253-S255 PolarHBondContact O-N 2.85Å
254T30.7Very low42.7Very low142 Ų14298 Ų9887%0.87151%0.506SS*.  trans-65.582.8170.546.90000109.7
255S29.9Very low43.2Very low89 Ų8996.2 Ų96.262%0.62250%0.495SS*.SBendtrans-158.8116.1156.154.70000108V253 E257V253-S255 PolarHBondContact O-N 2.85Å; S255-E257 PolarHBondContact O-N 3.31Å
256F28.7Very low44.5Very low219 Ų21990.9 Ų90.996%0.96148%0.475SS*.SBendtrans-41.299.9175.6-125.1-105.3000111.8
257E30Very low46.4Very low175 Ų17592 Ų9282%0.81848%0.48SS*.  trans-178.4110149-101.6167.4-154.400110.8S255 T259S255-E257 PolarHBondContact O-N 3.31Å; E257-T259 PolarHBondContact O-N 3Å; E257-T259 VanDerWaalsContact O-N 3.08Å; E257-T259 PolarHBondContact O-OG1 2.89Å
258N30.2Very low49Very low157 Ų15786.8 Ų86.884%0.8446%0.456SS*.  trans-43.6107.1175-78.8-30.3000113L260N258-L260 HydrophobicContact CB-CD1 4.18Å; N258-L260 WeakPolarHBondContact O-CD1 3.22Å
259T36.3Very low51.3Low74 Ų7489.9 Ų89.945%0.45447%0.47SS..  trans-92.9104.6175.7-25.80000111.3F248 E257 A261F248-T259 WeakPolarHBondContact CD2-O 3.25Å; F248-T259 WeakPolarHBondContact CE2-O 3.23Å; F248-T259 WeakPolarHBondContact CZ-OG1 3.4Å; E257-T259 PolarHBondContact O-N 3Å; E257-T259 VanDerWaalsContact O-N 3.08Å; E257-T259 PolarHBondContact O-OG1 2.89Å; T259-A261 PolarHBondContact O-N 2.86Å
260L41.5Very low54.2Low65 Ų6589 Ų8934%0.3446%0.463SS..  trans-9068.3-172.4-68.4110.4000114.2C246 N258C246-L260 VanDerWaalsContact SG-CA 3.53Å; C246-L260 PolarHBondContact SG-O 3.35Å; N258-L260 HydrophobicContact CB-CD1 4.18Å; N258-L260 WeakPolarHBondContact O-CD1 3.22Å
261A47.6Very low57.3Low2 Ų281.8 Ų81.82%0.01743%0.432CS..EExtended strand (participates in β ladder)trans-131.4133.8-178.300000118.5F184 C246 T259 H263F184-A261 HydrophobicContact CB-CB 4.24Å; F184-A261 WeakPolarHBondContact O-CA 3.36Å; F184-A261 WeakPolarHBondContact O-CB 3.49Å; C246-A261 CarbonylContact C-O 3.58Å; C246-A261 VanDerWaalsContact CB-O 3.3Å; C246-A261 WeakPolarHBondContact CB-O 3.32Å; T259-A261 PolarHBondContact O-N 2.86Å; A261-H263 WeakPolarHBondContact CB-CE1 3.34Å
262R56.6Low60.3Low24 Ų2481.5 Ų81.59%0.09142%0.42CS..EExtended strand (participates in β ladder)trans-102.7109.1170.8-73.4-158.7-176.3-132.90.7109.6G232 L239 D243 C246G232-R262 PolarHBondContact N-O 3.07Å; G232-R262 PolarHBondContact O-N 2.68Å; G232-R262 VanDerWaalsContact O-N 3.08Å; L239-R262 HydrophobicContact CD1-CB 4.06Å; L239-R262 HydrophobicContact CD1-CG 4.01Å; D243-R262 IonicContact OD1-CZ 3.24Å; D243-R262 IonicContact OD1-NH2 2.71Å; D243-R262 PolarHBondContact OD1-NH2 3.22Å; D243-R262 IonicContact OD2-CZ 3.98Å; D243-R262 IonicContact OD2-NH2 3.77Å; D243-R262 PolarHBondContact OD2-NH2 3.32Å; C246-R262 HydrophobicContact CB-CG 4.25Å
263H71.7Confident63.3Low40 Ų4076.9 Ų76.919%0.18541%0.407CS..EExtended strand (participates in β ladder)trans-88.9-12.4-169.4-45.3-62.4000115.5G185 G188 L189 G190 V192 A261G185-H263 WeakPolarHBondContact CA-ND1 3.04Å; G188-H263 CarbonylContact C-O 3.46Å; G188-H263 WeakPolarHBondContact CA-O 3.48Å; L189-H263 PolarHBondContact N-O 2.81Å; G190-H263 VanDerWaalsContact C-CB 3.5Å; G190-H263 WeakPolarHBondContact CA-O 3.28Å; G190-H263 PolarHBondContact N-O 3.24Å; V192-H263 WeakPolarHBondContact CG1-CE1 3.33Å; V192-H263 WeakPolarHBondContact CG1-ND1 3.32Å; A261-H263 WeakPolarHBondContact CB-CE1 3.34Å
264H80.5Confident66.5Low78 Ų7874.8 Ų74.836%0.36139%0.391SS..EExtended strand (participates in β ladder)trans-116.4147.2175-65.8-87.1000110.3G190 H203 V266G190-H264 WeakPolarHBondContact CA-CE1 3.04Å; G190-H264 WeakPolarHBondContact CA-NE2 3.44Å; H203-H264 AromaticContact CD2-ND1 3.67Å; H203-H264 AromaticContact CE1-CE1 3.31Å; H203-H264 PolarHBondContact CE1-CE1 3.02Å; H203-H264 AromaticContact CE1-ND1 3.12Å; H203-H264 PolarHBondContact CE1-ND1 3.48Å; H203-H264 AromaticContact CG-ND1 3.7Å; H203-H264 AromaticContact ND1-CE1 3.92Å; H203-H264 AromaticContact ND1-ND1 3.34Å; H203-H264 PolarHBondContact ND1-ND1 3.48Å; H203-H264 AromaticContact NE2-CE1 3.59Å; H203-H264 AromaticContact NE2-ND1 3.3Å; H203-H264 PolarHBondContact NE2-ND1 3.3Å; H264-V266 WeakPolarHBondContact O-CG2 3.4Å; H264-V266 PolarHBondContact O-N 3.27Å
265P90.2Very high69.6Low20 Ų2072.2 Ų72.213%0.1337%0.365CS..EExtended strand (participates in β ladder)trans-54.9130.7168.8-25.335.1000112.9I201 H203 L204 W231I201-P265 HydrophobicContact CG2-CG 3.74Å; H203-P265 HydrophobicContact CB-CG 4.34Å; L204-P265 HydrophobicContact CD1-CB 4.4Å; L204-P265 HydrophobicContact CD1-CG 4Å; L204-P265 HydrophobicContact CD2-CB 3.5Å; L204-P265 HydrophobicContact CD2-CG 3.87Å; L204-P265 HydrophobicContact CG-CB 4.01Å; L204-P265 HydrophobicContact CG-CG 3.77Å; W231-P265 HydrophobicContact CD2-CB 4.17Å; W231-P265 HydrophobicContact CD2-CG 3.92Å; W231-P265 HydrophobicContact CE3-CB 3.61Å; W231-P265 HydrophobicContact CE3-CG 3.8Å; W231-P265 HydrophobicContact CG-CG 4.35Å; W231-P265 HydrophobicContact CZ3-CB 4.09Å; W231-P265 HydrophobicContact CZ3-CG 4.25Å
266V88.8Confident72.7Confident43 Ų4368 Ų6826%0.26134%0.336SS..EExtended strand (participates in β ladder)trans-121.1133.1179.1-179.80000110.5Y229 G230 V241 H264 L268Y229-V266 CarbonylContact C-O 3.14Å; Y229-V266 VanDerWaalsContact CA-O 3.26Å; Y229-V266 WeakPolarHBondContact CA-O 3.32Å; G230-V266 PolarHBondContact N-O 2.99Å; G230-V266 PolarHBondContact O-N 3.45Å; V241-V266 HydrophobicContact CG1-CG1 4.13Å; H264-V266 WeakPolarHBondContact O-CG2 3.4Å; H264-V266 PolarHBondContact O-N 3.27Å; V266-L268 WeakPolarHBondContact O-CD1 3.48Å; V266-L268 PolarHBondContact O-N 3.35Å
267L90.7Very high75.8Confident30 Ų3059.9 Ų59.916%0.15730%0.303CS..EExtended strand (participates in β ladder)trans-69.9123174.6176.663.1000111.5C227 Y229 K269C227-L267 HydrophobicContact CB-CD1 3.88Å; Y229-L267 HydrophobicContact CD1-CB 4.05Å; Y229-L267 HydrophobicContact CD2-CD1 4.44Å; Y229-L267 HydrophobicContact CE1-CB 3.75Å; Y229-L267 HydrophobicContact CE1-CD1 4.09Å; Y229-L267 HydrophobicContact CE1-CG 4.42Å; Y229-L267 HydrophobicContact CE2-CD1 3.99Å; L267-K269 PolarHBondContact O-N 3.07Å
268L93.1Very high78.9Confident0 Ų053.9 Ų53.90%027%0.273CS..  trans-75.788.3171.7-81.666.3000110F220 V228 L239 V241 V266 S270 L271 F298F220-L268 HydrophobicContact CE1-CD1 3.92Å; F220-L268 HydrophobicContact CE1-CD2 3.88Å; V228-L268 HydrophobicContact CB-CB 4.33Å; V228-L268 HydrophobicContact CB-CD2 4.49Å; V228-L268 HydrophobicContact CG1-CB 4.49Å; V228-L268 HydrophobicContact CG1-CD1 4.28Å; V228-L268 HydrophobicContact CG1-CD2 3.91Å; V228-L268 HydrophobicContact CG1-CG 4.46Å; V228-L268 PolarHBondContact O-N 3.49Å; L239-L268 WeakPolarHBondContact O-CD1 3.36Å; L239-L268 VanDerWaalsContact O-CD2 3.22Å; L239-L268 WeakPolarHBondContact O-CD2 3.25Å; L239-L268 VanDerWaalsContact O-CG 3.27Å; L239-L268 WeakPolarHBondContact O-CG 3.49Å; V241-L268 HydrophobicContact CG1-CD1 4.09Å; V241-L268 HydrophobicContact CG1-CG 4.27Å; V266-L268 WeakPolarHBondContact O-CD1 3.48Å; V266-L268 PolarHBondContact O-N 3.35Å; L268-S270 PolarHBondContact O-N 3.19Å; L268-L271 HydrophobicContact CD2-CD1 3.91Å; L268-L271 PolarHBondContact O-N 2.73Å; L268-F298 HydrophobicContact CD2-CE2 4.23Å; L268-F298 HydrophobicContact CD2-CZ 3.98Å
269K90.3Very high82.1Confident165 Ų16546.5 Ų46.572%0.71723%0.234SC*.G310 helixtrans-57.2-32.1-178.2-63.8179.3-177.4176.40112.9L267 L271 R272L267-K269 PolarHBondContact O-N 3.07Å; K269-L271 VanDerWaalsContact C-N 3.32Å; K269-L271 PolarHBondContact O-N 3.44Å; K269-R272 WeakPolarHBondContact O-CB 3.47Å; K269-R272 PolarHBondContact O-N 3.11Å
270S90.9Very high85Confident48 Ų4844 Ų4434%0.33622%0.219SC..G310 helixtrans-64.1-28.9179.752.20000114.2G240 L268 P317G240-S270 PolarHBondContact O-OG 3.29Å; L268-S270 PolarHBondContact O-N 3.19Å; S270-P317 WeakPolarHBondContact OG-CD 3.45Å
271L94.6Very high87.6Confident1 Ų141.7 Ų41.71%0.00521%0.208CC..G310 helixtrans-95.3-6.5-179.9-68.2-179.8000114.2V228 L268 K269 S273 Q274 I276 A288 F296 F298 P317V228-L271 HydrophobicContact CG2-CD1 4.29Å; L268-L271 HydrophobicContact CD2-CD1 3.91Å; L268-L271 PolarHBondContact O-N 2.73Å; K269-L271 VanDerWaalsContact C-N 3.32Å; K269-L271 PolarHBondContact O-N 3.44Å; L271-S273 PolarHBondContact O-N 3.48Å; L271-S273 VanDerWaalsContact O-N 3.09Å; L271-Q274 HydrophobicContact CD2-CB 4.26Å; L271-Q274 HydrophobicContact CD2-CG 3.99Å; L271-Q274 WeakPolarHBondContact O-CB 3.32Å; L271-Q274 PolarHBondContact O-N 3.39Å; L271-I276 HydrophobicContact CB-CG1 4.07Å; L271-I276 HydrophobicContact CD1-CG1 4.31Å; L271-I276 HydrophobicContact CD2-CD1 4.24Å; L271-I276 HydrophobicContact CD2-CG1 4.38Å; L271-I276 HydrophobicContact CG-CG1 4.48Å; L271-A288 HydrophobicContact CD1-CB 3.99Å; L271-F296 HydrophobicContact CD2-CG 4.43Å; L271-F298 HydrophobicContact CD1-CE1 4.26Å; L271-F298 HydrophobicContact CD1-CZ 4.46Å; L271-P317 HydrophobicContact CD1-CB 4.32Å; L271-P317 HydrophobicContact CD1-CG 3.93Å; L271-P317 HydrophobicContact CD2-CB 3.55Å; L271-P317 HydrophobicContact CD2-CG 3.86Å; L271-P317 HydrophobicContact CG-CB 4.03Å; L271-P317 HydrophobicContact CG-CG 3.73Å
272R90Very high90Very high68 Ų6841.9 Ų41.926%0.25721%0.21SC..THydrogen-bonded Turntrans-58.3-29.7-172.9-174.9172.4174.6151.4-9.7114.2K269 V459K269-R272 WeakPolarHBondContact O-CB 3.47Å; K269-R272 PolarHBondContact O-N 3.11Å; R272-V459 PolarHBondContact NE-O 3.12Å; R272-V459 PolarHBondContact NH2-O 3.31Å
273S89.9Confident91.9Very high74 Ų7442.5 Ų42.552%0.51721%0.214SC..THydrogen-bonded Turntrans-95.90.3177.752.80000114L271L271-S273 PolarHBondContact O-N 3.48Å; L271-S273 VanDerWaalsContact O-N 3.09Å
274Q94.7Very high93Very high57 Ų5742 Ų4227%0.26621%0.213SC..SBendtrans-95.60.8-170.6-54.9-57.8-24.800114L271 I276 S290 F296L271-Q274 HydrophobicContact CD2-CB 4.26Å; L271-Q274 HydrophobicContact CD2-CG 3.99Å; L271-Q274 WeakPolarHBondContact O-CB 3.32Å; L271-Q274 PolarHBondContact O-N 3.39Å; Q274-I276 HydrophobicContact CB-CD1 3.8Å; Q274-I276 HydrophobicContact CB-CG1 4.21Å; Q274-I276 PolarHBondContact O-N 3.4Å; Q274-S290 WeakPolarHBondContact O-CB 3.45Å; Q274-F296 HydrophobicContact CB-CE2 4.23Å; Q274-F296 HydrophobicContact CB-CZ 4.32Å; Q274-F296 HydrophobicContact CG-CZ 4.16Å
275R95Very high93.8Very high88 Ų8838.3 Ų38.333%0.33220%0.195SC..  trans52.749.9175.5-46.7177.8-157.6155.6-0.8112.8V277 S290 I291 D292 F457R275-V277 PolarHBondContact O-N 2.91Å; R275-S290 WeakPolarHBondContact O-CA 3.46Å; R275-I291 HydrophobicContact CB-CG2 3.79Å; R275-I291 PolarHBondContact O-N 3.18Å; R275-D292 IonicContact CZ-OD2 3.52Å; R275-D292 IonicContact NE-OD2 2.69Å; R275-D292 IonicContact NH1-OD1 4Å; R275-D292 IonicContact NH1-OD2 2.83Å; R275-D292 PolarHBondContact NH1-OD2 3.13Å; R275-F457 HydrophobicContact CB-CB 4.17Å; R275-F457 HydrophobicContact CB-CD1 3.85Å; R275-F457 HydrophobicContact CB-CD2 4.28Å; R275-F457 HydrophobicContact CB-CE1 4.27Å; R275-F457 HydrophobicContact CB-CG 3.85Å; R275-F457 HydrophobicContact CG-CB 3.83Å; R275-F457 HydrophobicContact CG-CD1 4.45Å; R275-F457 HydrophobicContact CG-CD2 4.48Å; R275-F457 HydrophobicContact CG-CG 4.03Å
276I96.3Very high94.2Very high1 Ų137.3 Ų37.31%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-66.4130.4-177.1-57.4-53.3000110.4N222 G226 V228 L271 Q274 L279 A288 F296N222-I276 PolarHBondContact ND2-O 2.94Å; G226-I276 VanDerWaalsContact CA-O 3.24Å; G226-I276 WeakPolarHBondContact CA-O 3.46Å; V228-I276 HydrophobicContact CG2-CB 4.09Å; V228-I276 HydrophobicContact CG2-CG1 4.3Å; V228-I276 HydrophobicContact CG2-CG2 4.02Å; L271-I276 HydrophobicContact CB-CG1 4.07Å; L271-I276 HydrophobicContact CD1-CG1 4.31Å; L271-I276 HydrophobicContact CD2-CD1 4.24Å; L271-I276 HydrophobicContact CD2-CG1 4.38Å; L271-I276 HydrophobicContact CG-CG1 4.48Å; Q274-I276 HydrophobicContact CB-CD1 3.8Å; Q274-I276 HydrophobicContact CB-CG1 4.21Å; Q274-I276 PolarHBondContact O-N 3.4Å; I276-L279 HydrophobicContact CG2-CD2 3.9Å; I276-L279 HydrophobicContact CG2-CG 4.22Å; I276-A288 HydrophobicContact CD1-CB 3.99Å; I276-A288 HydrophobicContact CG1-CB 4.42Å; I276-A288 HydrophobicContact CG2-CB 4.15Å; I276-F296 HydrophobicContact CD1-CD2 4.23Å; I276-F296 HydrophobicContact CD1-CE2 4.46Å
277V93.5Very high94.7Very high47 Ų4735.4 Ų35.429%0.28518%0.177SC..EExtended strand (participates in β ladder)trans-114.7-21.8179-67.40000112.8R275 L289 I291 R409 F457R275-V277 PolarHBondContact O-N 2.91Å; V277-L289 WeakPolarHBondContact CG2-O 3.49Å; V277-L289 PolarHBondContact N-O 2.88Å; V277-I291 HydrophobicContact CG1-CB 3.69Å; V277-I291 HydrophobicContact CG1-CD1 4.47Å; V277-I291 HydrophobicContact CG1-CG1 4.2Å; V277-R409 PolarHBondContact O-NH1 3.26Å; V277-F457 HydrophobicContact CG1-CE1 4.13Å; V277-F457 HydrophobicContact CG1-CZ 3.77Å
278R94.6Very high95Very high49 Ų4934 Ų3419%0.18517%0.17CC..EExtended strand (participates in β ladder)trans-145.1136.7179.3176.1170.9-164.8125.23.3111.1V280 L289 D330 R409R278-V280 HydrophobicContact CG-CG2 4.06Å; R278-L289 HydrophobicContact CB-CB 4.23Å; R278-L289 PolarHBondContact N-O 3.45Å; R278-L289 PolarHBondContact O-N 3.36Å; R278-D330 WeakPolarHBondContact CD-OD1 3.39Å; R278-D330 IonicContact CZ-OD1 2.93Å; R278-D330 IonicContact CZ-OD2 3.47Å; R278-D330 IonicContact NE-OD1 3.53Å; R278-D330 PolarHBondContact NE-OD1 3.17Å; R278-D330 IonicContact NH1-OD1 4Å; R278-D330 PolarHBondContact NH1-OD1 2.8Å; R278-D330 IonicContact NH1-OD2 3.06Å; R278-D330 IonicContact NH2-OD1 3.8Å; R278-R409 VanDerWaalsContact CD-NH2 3.35Å; R278-R409 VanDerWaalsContact CZ-NH2 3.31Å
279L97.4Very high95.3Very high2 Ų234.3 Ų34.31%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-114.9147.8166.8-62.6170.5000109.3Q211 I213 F220 N222 V228 I276 S287 A288Q211-L279 PolarHBondContact NE2-O 2.95Å; I213-L279 HydrophobicContact CD1-CB 3.32Å; I213-L279 HydrophobicContact CG1-CB 4.27Å; F220-L279 HydrophobicContact CB-CD1 4.02Å; F220-L279 HydrophobicContact CD1-CD1 4.34Å; F220-L279 HydrophobicContact CG-CD1 4.41Å; N222-L279 HydrophobicContact CB-CD1 3.88Å; N222-L279 HydrophobicContact CB-CG 4.4Å; V228-L279 HydrophobicContact CB-CD1 4.36Å; V228-L279 HydrophobicContact CG1-CD1 3.52Å; V228-L279 HydrophobicContact CG1-CD2 4.23Å; V228-L279 HydrophobicContact CG1-CG 4.49Å; V228-L279 HydrophobicContact CG2-CD1 4.02Å; V228-L279 HydrophobicContact CG2-CD2 4.15Å; V228-L279 HydrophobicContact CG2-CG 4.42Å; I276-L279 HydrophobicContact CG2-CD2 3.9Å; I276-L279 HydrophobicContact CG2-CG 4.22Å; L279-S287 WeakPolarHBondContact CA-O 3.48Å; L279-A288 HydrophobicContact CD2-CB 3.5Å; L279-A288 VanDerWaalsContact CD2-CB 3.5Å
280V97.4Very high95.5Very high23 Ų2326.6 Ų26.614%0.13914%0.138CC..EExtended strand (participates in β ladder)trans-143.6129.7170.8-1690000108.8R278 S287 V331 C333R278-V280 HydrophobicContact CG-CG2 4.06Å; V280-S287 PolarHBondContact N-O 2.92Å; V280-S287 PolarHBondContact O-N 3.12Å; V280-S287 PolarHBondContact O-OG 3.18Å; V280-S287 VanDerWaalsContact O-OG 3.06Å; V280-V331 HydrophobicContact CG2-CB 4.49Å; V280-V331 WeakPolarHBondContact CG2-O 3.16Å; V280-C333 HydrophobicContact CG1-CB 3.86Å
281C97.2Very high95.6Very high16 Ų1627.1 Ų27.111%0.10814%0.137CC..EExtended strand (participates in β ladder)trans-100.4143.4178.8-67.20000111I213 H218I213-C281 HydrophobicContact CD1-CB 4.39Å; I213-C281 WeakPolarHBondContact CD1-SG 3.49Å; H218-C281 PolarHBondContact NE2-SG 2.86Å
282G96.8Very high95.5Very high6 Ų630.9 Ų30.96%0.06216%0.157CC..  trans-96.3-154.3156.300000110.9G215 F285 G334G215-G282 WeakPolarHBondContact CA-O 3.49Å; G282-F285 PolarHBondContact N-O 3.37Å; G282-G334 WeakPolarHBondContact CA-O 3.18Å
283E95.7Very high95.7Very high36 Ų3627.9 Ų27.917%0.16815%0.147CC..SBendtrans-67.5-61.2-179-168.3177.7-161.200111.2S216 H218 R335S216-E283 VanDerWaalsContact CB-O 3.22Å; S216-E283 WeakPolarHBondContact CB-O 3.38Å; S216-E283 PolarHBondContact N-O 3.19Å; H218-E283 PolarHBondContact CE1-O 3.28Å; E283-R335 HydrophobicContact CB-CG 3.91Å; E283-R335 WeakPolarHBondContact CB-O 3.48Å; E283-R335 VanDerWaalsContact CD-NE 3.29Å; E283-R335 HydrophobicContact CG-CG 4.34Å; E283-R335 PolarHBondContact N-O 2.75Å; E283-R335 VanDerWaalsContact N-O 3.15Å; E283-R335 IonicContact OE1-CZ 3.39Å; E283-R335 IonicContact OE1-NE 2.7Å; E283-R335 PolarHBondContact OE1-NE 2.93Å; E283-R335 IonicContact OE1-NH2 3Å; E283-R335 PolarHBondContact OE1-NH2 3.49Å; E283-R335 VanDerWaalsContact OE1-NH2 3.11Å; E283-R335 WeakPolarHBondContact OE2-CD 3.47Å; E283-R335 WeakPolarHBondContact OE2-CG 3.06Å; E283-R335 IonicContact OE2-CZ 3.14Å; E283-R335 VanDerWaalsContact OE2-CZ 3.3Å; E283-R335 IonicContact OE2-NE 3.97Å; E283-R335 PolarHBondContact OE2-NE 3.23Å; E283-R335 IonicContact OE2-NH2 2.81Å; E283-R335 PolarHBondContact OE2-NH2 2.83Å
284D96Very high96Very high30 Ų3027.6 Ų27.616%0.1614%0.138CC..SBendtrans-12428.7-177.6-78.2-41.8000112.2K233 Q238 S300K233-D284 WeakPolarHBondContact CE-OD1 3.37Å; K233-D284 VanDerWaalsContact NZ-CG 3.25Å; K233-D284 IonicContact NZ-OD1 3.46Å; K233-D284 PolarHBondContact NZ-OD1 2.99Å; K233-D284 IonicContact NZ-OD2 3.8Å; K233-D284 PolarHBondContact NZ-OD2 3Å; Q238-D284 WeakPolarHBondContact CB-O 3.22Å; Q238-D284 PolarHBondContact NE2-OD1 3.25Å; Q238-D284 VanDerWaalsContact NE2-OD1 3.1Å; D284-S300 WeakPolarHBondContact O-CB 3.28Å; D284-S300 PolarHBondContact O-N 2.95Å
285F97.9Very high96.2Very high0 Ų025 Ų250%013%0.126CC..EExtended strand (participates in β ladder)trans-149.6163.5175.281.9-79000111.8G282 F298 Q305 L306 C333 T338G282-F285 PolarHBondContact N-O 3.37Å; F285-F298 CarbonylContact C-O 3.28Å; F285-F298 WeakPolarHBondContact CA-O 3.44Å; F285-F298 WeakPolarHBondContact CB-O 3.35Å; F285-Q305 HydrophobicContact CD1-CG 3.72Å; F285-Q305 HydrophobicContact CD2-CG 4.23Å; F285-Q305 HydrophobicContact CE1-CB 4.22Å; F285-Q305 HydrophobicContact CE1-CG 3.82Å; F285-Q305 HydrophobicContact CE2-CG 4.33Å; F285-Q305 HydrophobicContact CG-CG 3.93Å; F285-Q305 HydrophobicContact CZ-CB 4.17Å; F285-Q305 HydrophobicContact CZ-CG 4.13Å; F285-L306 HydrophobicContact CB-CD2 3.93Å; F285-L306 HydrophobicContact CD2-CD2 3.93Å; F285-L306 HydrophobicContact CG-CD2 4.25Å; F285-C333 HydrophobicContact CE1-CB 4.44Å; F285-C333 HydrophobicContact CE2-CB 4.11Å; F285-C333 HydrophobicContact CZ-CB 3.66Å; F285-T338 WeakPolarHBondContact CE2-OG1 3.46Å; F285-T338 VanDerWaalsContact CZ-OG1 3.28Å; F285-T338 WeakPolarHBondContact CZ-OG1 3.47Å
286T98.4Very high96.4Very high0 Ų021.5 Ų21.50%011%0.113CC..EExtended strand (participates in β ladder)trans-137.3144.9-177.7-54.40000110.4H218 F220 Q238 T297 F298H218-T286 PolarHBondContact NE2-OG1 3.23Å; F220-T286 HydrophobicContact CD2-CG2 4.39Å; F220-T286 HydrophobicContact CE2-CG2 3.9Å; F220-T286 WeakPolarHBondContact CE2-OG1 3.42Å; F220-T286 HydrophobicContact CZ-CG2 4.12Å; Q238-T286 PolarHBondContact O-OG1 2.97Å; T286-T297 WeakPolarHBondContact O-CA 3.48Å; T286-F298 HydrophobicContact CG2-CE1 4.28Å; T286-F298 HydrophobicContact CG2-CE2 4.06Å; T286-F298 HydrophobicContact CG2-CZ 3.66Å; T286-F298 PolarHBondContact N-O 3.25Å; T286-F298 PolarHBondContact O-N 3.46Å
287S98.3Very high96.5Very high2 Ų221.4 Ų21.41%0.01411%0.113CC..EExtended strand (participates in β ladder)trans-118144.5171.869.70000110.8L279 V280 F296 C333L279-S287 WeakPolarHBondContact CA-O 3.48Å; V280-S287 PolarHBondContact N-O 2.92Å; V280-S287 PolarHBondContact O-N 3.12Å; V280-S287 PolarHBondContact O-OG 3.18Å; V280-S287 VanDerWaalsContact O-OG 3.06Å; S287-F296 CarbonylContact C-O 3.01Å; S287-F296 VanDerWaalsContact CA-O 3.28Å; S287-F296 WeakPolarHBondContact CA-O 3.47Å; S287-C333 PolarHBondContact OG-SG 3.13Å
288A98.3Very high96.7Very high0 Ų019.2 Ų19.20%010%0.099CC..EExtended strand (participates in β ladder)trans-131.1126.7178.500000110.2L271 I276 L279 F296 F298L271-A288 HydrophobicContact CD1-CB 3.99Å; I276-A288 HydrophobicContact CD1-CB 3.99Å; I276-A288 HydrophobicContact CG1-CB 4.42Å; I276-A288 HydrophobicContact CG2-CB 4.15Å; L279-A288 HydrophobicContact CD2-CB 3.5Å; L279-A288 VanDerWaalsContact CD2-CB 3.5Å; A288-F296 HydrophobicContact CB-CB 4.35Å; A288-F296 PolarHBondContact N-O 2.83Å; A288-F296 PolarHBondContact O-N 3.25Å; A288-F298 HydrophobicContact CB-CE1 4.37Å
289L97.5Very high96.8Very high8 Ų816.9 Ų16.94%0.0429%0.09CC..EExtended strand (participates in β ladder)trans-109.8125.9-179.2179.364.7000109.9V277 R278 Q294 V328V277-L289 WeakPolarHBondContact CG2-O 3.49Å; V277-L289 PolarHBondContact N-O 2.88Å; R278-L289 HydrophobicContact CB-CB 4.23Å; R278-L289 PolarHBondContact N-O 3.45Å; R278-L289 PolarHBondContact O-N 3.36Å; L289-Q294 WeakPolarHBondContact CA-O 3.29Å; L289-V328 HydrophobicContact CD1-CB 3.8Å; L289-V328 HydrophobicContact CD1-CG1 3.83Å
290S95.6Very high96.8Very high2 Ų217.3 Ų17.31%0.0149%0.093CC..EExtended strand (participates in β ladder)trans-82.7160.2174.376.20000112.7Q274 R275 D292 G293 Q294Q274-S290 WeakPolarHBondContact O-CB 3.45Å; R275-S290 WeakPolarHBondContact O-CA 3.46Å; S290-D292 PolarHBondContact O-N 3.16Å; S290-D292 PolarHBondContact OG-N 3.33Å; S290-G293 PolarHBondContact O-N 2.78Å; S290-G293 PolarHBondContact OG-N 3.3Å; S290-Q294 PolarHBondContact N-O 3.27Å; S290-Q294 VanDerWaalsContact OG-CB 3.31Å; S290-Q294 WeakPolarHBondContact OG-CB 3.24Å; S290-Q294 PolarHBondContact OG-N 2.96Å; S290-Q294 PolarHBondContact OG-OE1 3.49Å
291I92.5Very high96.8Very high59 Ų5916.2 Ų16.230%0.3039%0.087SC..THydrogen-bonded Turntrans-58.7-26.7172.9-164.7166.4000113R275 V277 G293 F457R275-I291 HydrophobicContact CB-CG2 3.79Å; R275-I291 PolarHBondContact O-N 3.18Å; V277-I291 HydrophobicContact CG1-CB 3.69Å; V277-I291 HydrophobicContact CG1-CD1 4.47Å; V277-I291 HydrophobicContact CG1-CG1 4.2Å; I291-G293 PolarHBondContact O-N 2.87Å; I291-F457 HydrophobicContact CD1-CE2 3.86Å; I291-F457 HydrophobicContact CD1-CZ 4.17Å
292D92.3Very high96.8Very high80 Ų8018.5 Ų18.543%0.42810%0.101SC..THydrogen-bonded Turntrans-81.1-2.6178.6-60.4-55000112R275 S290R275-D292 IonicContact CZ-OD2 3.52Å; R275-D292 IonicContact NE-OD2 2.69Å; R275-D292 IonicContact NH1-OD1 4Å; R275-D292 IonicContact NH1-OD2 2.83Å; R275-D292 PolarHBondContact NH1-OD2 3.13Å; S290-D292 PolarHBondContact O-N 3.16Å; S290-D292 PolarHBondContact OG-N 3.33Å
293G94.4Very high96.8Very high5 Ų522.8 Ų22.85%0.05212%0.115CC..  trans81.621.4178.700000114.1S290 I291 V328S290-G293 PolarHBondContact O-N 2.78Å; S290-G293 PolarHBondContact OG-N 3.3Å; I291-G293 PolarHBondContact O-N 2.87Å; G293-V328 VanDerWaalsContact CA-O 3.31Å; G293-V328 WeakPolarHBondContact CA-O 3.13Å; G293-V328 WeakPolarHBondContact O-CB 3.46Å; G293-V328 PolarHBondContact O-N 2.73Å; G293-V328 VanDerWaalsContact O-N 3.12Å
294Q97Very high96.8Very high68 Ų6821 Ų2132%0.31811%0.107SC..  trans-86.1131.3174.4-57.1166.9-43.300109.5L289 S290 F296L289-Q294 WeakPolarHBondContact CA-O 3.29Å; S290-Q294 PolarHBondContact N-O 3.27Å; S290-Q294 VanDerWaalsContact OG-CB 3.31Å; S290-Q294 WeakPolarHBondContact OG-CB 3.24Å; S290-Q294 PolarHBondContact OG-N 2.96Å; S290-Q294 PolarHBondContact OG-OE1 3.49Å; Q294-F296 HydrophobicContact CB-CE2 3.81Å; Q294-F296 HydrophobicContact CB-CZ 4.26Å
295L98Very high96.9Very high4 Ų419.7 Ų19.72%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-100.8124.2177.5-178.655.1000110.6T297 Q319 V320 L323 V328 V331 A340 F349L295-T297 HydrophobicContact CG-CG2 4.38Å; L295-Q319 WeakPolarHBondContact O-CA 3.33Å; L295-V320 HydrophobicContact CB-CG2 4.44Å; L295-V320 HydrophobicContact CD2-CG2 4.19Å; L295-V320 HydrophobicContact CG-CG2 4Å; L295-V320 PolarHBondContact O-N 3.22Å; L295-L323 HydrophobicContact CD2-CD1 3.95Å; L295-V328 HydrophobicContact CB-CG2 4.32Å; L295-V331 HydrophobicContact CD1-CG1 4.43Å; L295-V331 HydrophobicContact CD1-CG2 3.71Å; L295-V331 HydrophobicContact CD2-CG2 4.15Å; L295-A340 HydrophobicContact CD2-CB 4.15Å; L295-F349 HydrophobicContact CD2-CZ 4.28Å
296F98.5Very high96.9Very high13 Ų1319.9 Ų19.96%0.05710%0.101CC..EExtended strand (participates in β ladder)trans-111140.8171.1-57.1-96000109.6L271 Q274 I276 S287 A288 Q294 P317 K318 Q319L271-F296 HydrophobicContact CD2-CG 4.43Å; Q274-F296 HydrophobicContact CB-CE2 4.23Å; Q274-F296 HydrophobicContact CB-CZ 4.32Å; Q274-F296 HydrophobicContact CG-CZ 4.16Å; I276-F296 HydrophobicContact CD1-CD2 4.23Å; I276-F296 HydrophobicContact CD1-CE2 4.46Å; S287-F296 CarbonylContact C-O 3.01Å; S287-F296 VanDerWaalsContact CA-O 3.28Å; S287-F296 WeakPolarHBondContact CA-O 3.47Å; A288-F296 HydrophobicContact CB-CB 4.35Å; A288-F296 PolarHBondContact N-O 2.83Å; A288-F296 PolarHBondContact O-N 3.25Å; Q294-F296 HydrophobicContact CB-CE2 3.81Å; Q294-F296 HydrophobicContact CB-CZ 4.26Å; F296-P317 HydrophobicContact CB-CB 4.27Å; F296-K318 CarbonylContact C-O 3.47Å; F296-K318 VanDerWaalsContact CA-O 3.26Å; F296-K318 WeakPolarHBondContact CA-O 3.47Å; F296-Q319 HydrophobicContact CD1-CB 3.87Å; F296-Q319 HydrophobicContact CD1-CG 4.44Å; F296-Q319 HydrophobicContact CE1-CB 3.77Å; F296-Q319 HydrophobicContact CE1-CG 4.19Å; F296-Q319 HydrophobicContact CZ-CG 4.49Å
297T98.5Very high96.9Very high0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-133.6147.1178.7450000109.6T286 L295 L306 H308 K318 V320T286-T297 WeakPolarHBondContact O-CA 3.48Å; L295-T297 HydrophobicContact CG-CG2 4.38Å; T297-L306 PolarHBondContact OG1-O 2.85Å; T297-H308 PolarHBondContact OG1-CE1 2.76Å; T297-H308 PolarHBondContact OG1-NE2 3.13Å; T297-K318 PolarHBondContact N-O 2.9Å; T297-K318 PolarHBondContact O-N 2.83Å; T297-V320 HydrophobicContact CG2-CG2 3.95Å; T297-V320 WeakPolarHBondContact OG1-CG2 3.44Å
298F98.1Very high96.8Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans-160162178.749.9-80.2000111.3F220 Q238 L268 L271 F285 T286 A288 E314 P317F220-F298 HydrophobicContact CZ-CE2 4.06Å; F220-F298 HydrophobicContact CZ-CZ 4.38Å; Q238-F298 WeakPolarHBondContact O-CD2 3.42Å; Q238-F298 WeakPolarHBondContact O-CE2 3.46Å; L268-F298 HydrophobicContact CD2-CE2 4.23Å; L268-F298 HydrophobicContact CD2-CZ 3.98Å; L271-F298 HydrophobicContact CD1-CE1 4.26Å; L271-F298 HydrophobicContact CD1-CZ 4.46Å; F285-F298 CarbonylContact C-O 3.28Å; F285-F298 WeakPolarHBondContact CA-O 3.44Å; F285-F298 WeakPolarHBondContact CB-O 3.35Å; T286-F298 HydrophobicContact CG2-CE1 4.28Å; T286-F298 HydrophobicContact CG2-CE2 4.06Å; T286-F298 HydrophobicContact CG2-CZ 3.66Å; T286-F298 PolarHBondContact N-O 3.25Å; T286-F298 PolarHBondContact O-N 3.46Å; A288-F298 HydrophobicContact CB-CE1 4.37Å; F298-E314 HydrophobicContact CB-CB 4.48Å; F298-E314 WeakPolarHBondContact CB-O 3.38Å; F298-P317 HydrophobicContact CD1-CB 3.59Å; F298-P317 HydrophobicContact CD1-CG 3.63Å; F298-P317 HydrophobicContact CE1-CB 3.94Å; F298-P317 HydrophobicContact CE1-CG 3.75Å; F298-P317 HydrophobicContact CG-CB 4.33Å; F298-P317 HydrophobicContact CG-CG 4.07Å; F298-P317 HydrophobicContact CZ-CG 4.28Å
299G97.4Very high96.7Very high0 Ų022.9 Ų22.90%013%0.125CC..EExtended strand (participates in β ladder)trans102.9-142.1-173.500000113C236 G301 N313 E314C236-G299 CarbonylContact O-C 3.45Å; C236-G299 VanDerWaalsContact O-C 3.29Å; C236-G299 VanDerWaalsContact O-CA 3.31Å; C236-G299 WeakPolarHBondContact O-CA 3.47Å; G299-G301 PolarHBondContact O-N 2.97Å; G299-N313 CarbonylContact O-C 3.12Å; G299-N313 WeakPolarHBondContact O-CA 3.35Å; G299-N313 WeakPolarHBondContact O-CB 3.4Å; G299-E314 PolarHBondContact N-O 2.84Å; G299-E314 PolarHBondContact O-N 2.82Å
300S97.5Very high96.6Very high11 Ų1124.8 Ų24.88%0.07714%0.135CC..  trans-67.1127.9-176.4-1790000112.5D284 T302 Q305 L306 N313D284-S300 WeakPolarHBondContact O-CB 3.28Å; D284-S300 PolarHBondContact O-N 2.95Å; S300-T302 PolarHBondContact OG-OG1 2.68Å; S300-Q305 WeakPolarHBondContact O-CG 3.49Å; S300-Q305 PolarHBondContact O-NE2 3.18Å; S300-Q305 PolarHBondContact OG-NE2 3.27Å; S300-L306 WeakPolarHBondContact O-CD2 3.46Å; S300-L306 WeakPolarHBondContact O-CG 3.49Å; S300-N313 WeakPolarHBondContact CA-OD1 3.44Å
301G96.9Very high96.7Very high0 Ų029.9 Ų29.90%016%0.157CC..  trans-109.84.4175.500000114.9G299 Y303 G304 Q305 K311 N312 N313G299-G301 PolarHBondContact O-N 2.97Å; G301-Y303 PolarHBondContact O-N 2.99Å; G301-G304 PolarHBondContact O-N 3.29Å; G301-Q305 VanDerWaalsContact C-OE1 3.31Å; G301-K311 CarbonylContact C-O 3.24Å; G301-K311 CarbonylContact O-C 3.59Å; G301-K311 WeakPolarHBondContact O-CA 3Å; G301-N312 WeakPolarHBondContact CA-O 3.42Å; G301-N313 PolarHBondContact N-OD1 3.47Å
302T96.4Very high96.9Very high65 Ų6532.1 Ų32.140%0.39917%0.169SC..THydrogen-bonded Turntrans-47-34.6-168.6-540000115.7S300 K311S300-T302 PolarHBondContact OG-OG1 2.68Å; T302-K311 VanDerWaalsContact O-CD 3.29Å; T302-K311 WeakPolarHBondContact O-CD 3.34Å; T302-K311 WeakPolarHBondContact O-CG 3.09Å
303Y96.7Very high97Very high95 Ų9531.7 Ų31.737%0.37317%0.167SC..THydrogen-bonded Turntrans-11310.1-178.3-56.6-73.2000113.2G301 Q305 C336 G350 L351 C365G301-Y303 PolarHBondContact O-N 2.99Å; Y303-Q305 VanDerWaalsContact C-N 3.35Å; Y303-C336 HydrophobicContact CD2-CB 3.76Å; Y303-C336 HydrophobicContact CE2-CB 4.32Å; Y303-G350 CarbonylContact O-C 3.48Å; Y303-G350 VanDerWaalsContact O-C 3.3Å; Y303-G350 VanDerWaalsContact O-CA 3.3Å; Y303-G350 WeakPolarHBondContact O-CA 3.3Å; Y303-L351 HydrophobicContact CD1-CD1 3.63Å; Y303-L351 HydrophobicContact CE1-CD1 3.92Å; Y303-L351 HydrophobicContact CG-CB 4.17Å; Y303-L351 HydrophobicContact CG-CD1 4.02Å; Y303-C365 WeakPolarHBondContact O-CB 3.49Å
304G96.9Very high97.2Very high0 Ų033.2 Ų33.20%017%0.173CC..SBendtrans79.813.4-176.100000114.4G301 L306 G307G301-G304 PolarHBondContact O-N 3.29Å; G304-L306 PolarHBondContact O-N 3.06Å; G304-G307 PolarHBondContact O-N 2.84Å
305Q97.9Very high97Very high2 Ų232.2 Ų32.21%0.00917%0.172CC..THydrogen-bonded Turntrans-65.1-9.1-17767.5-90.237.900114.9F285 S300 G301 Y303 C336 T338 F349F285-Q305 HydrophobicContact CD1-CG 3.72Å; F285-Q305 HydrophobicContact CD2-CG 4.23Å; F285-Q305 HydrophobicContact CE1-CB 4.22Å; F285-Q305 HydrophobicContact CE1-CG 3.82Å; F285-Q305 HydrophobicContact CE2-CG 4.33Å; F285-Q305 HydrophobicContact CG-CG 3.93Å; F285-Q305 HydrophobicContact CZ-CB 4.17Å; F285-Q305 HydrophobicContact CZ-CG 4.13Å; S300-Q305 WeakPolarHBondContact O-CG 3.49Å; S300-Q305 PolarHBondContact O-NE2 3.18Å; S300-Q305 PolarHBondContact OG-NE2 3.27Å; G301-Q305 VanDerWaalsContact C-OE1 3.31Å; Y303-Q305 VanDerWaalsContact C-N 3.35Å; Q305-C336 WeakPolarHBondContact CB-O 3.46Å; Q305-T338 PolarHBondContact O-OG1 3.21Å; Q305-F349 WeakPolarHBondContact O-CD2 2.93Å; Q305-F349 WeakPolarHBondContact O-CE2 3.28Å
306L98Very high96.9Very high4 Ų436.2 Ų36.22%0.02119%0.192CC..THydrogen-bonded Turntrans-86.7-17.5172.3-53.9-179.3000113.3F285 T297 S300 G304 E314F285-L306 HydrophobicContact CB-CD2 3.93Å; F285-L306 HydrophobicContact CD2-CD2 3.93Å; F285-L306 HydrophobicContact CG-CD2 4.25Å; T297-L306 PolarHBondContact OG1-O 2.85Å; S300-L306 WeakPolarHBondContact O-CD2 3.46Å; S300-L306 WeakPolarHBondContact O-CG 3.49Å; G304-L306 PolarHBondContact O-N 3.06Å; L306-E314 HydrophobicContact CD1-CB 3.99Å; L306-E314 HydrophobicContact CD1-CG 3.71Å
307G97.4Very high96.9Very high1 Ų136.7 Ų36.71%0.0120%0.197CC..  trans75.720.7174.900000115.3G304 F349 L367G304-G307 PolarHBondContact O-N 2.84Å; G307-F349 VanDerWaalsContact N-CD2 3.32Å; G307-L367 CarbonylContact C-O 3.28Å; G307-L367 WeakPolarHBondContact CA-O 3.39Å
308H97.3Very high96.8Very high27 Ų2740.3 Ų40.313%0.12521%0.212CC..SBendtrans-97.111.2-177.5-57.1-45.4000114.6T297 N310 E314 K318T297-H308 PolarHBondContact OG1-CE1 2.76Å; T297-H308 PolarHBondContact OG1-NE2 3.13Å; H308-N310 VanDerWaalsContact C-N 3.27Å; H308-N310 PolarHBondContact O-N 3.13Å; H308-N310 PolarHBondContact O-ND2 3.4Å; H308-N310 VanDerWaalsContact O-ND2 3.16Å; H308-E314 IonicContact CD2-OE1 3.41Å; H308-K318 PolarHBondContact CE1-O 3.41Å
309G96Very high96.8Very high36 Ų3642.8 Ų42.837%0.37122%0.224SC..SBendtrans76.18.7178.500000115.4L367G309-L367 WeakPolarHBondContact CA-O 3.36Å; G309-L367 PolarHBondContact N-O 3.48Å
310N95.8Very high96.8Very high48 Ų4842.9 Ų42.926%0.25723%0.225SC..SBendtrans-143.2176.917964.668000110.4H308 N312H308-N310 VanDerWaalsContact C-N 3.27Å; H308-N310 PolarHBondContact O-N 3.13Å; H308-N310 PolarHBondContact O-ND2 3.4Å; H308-N310 VanDerWaalsContact O-ND2 3.16Å; N310-N312 VanDerWaalsContact OD1-CB 3.3Å; N310-N312 WeakPolarHBondContact OD1-CB 3.31Å; N310-N312 PolarHBondContact OD1-N 3.18Å
311K96.9Very high96.7Very high110 Ų11046.3 Ų46.348%0.47825%0.245SC..  trans-106.218.3-179-67.4-178.4170.9-172.20113.8G301 T302 L367G301-K311 CarbonylContact C-O 3.24Å; G301-K311 CarbonylContact O-C 3.59Å; G301-K311 WeakPolarHBondContact O-CA 3Å; T302-K311 VanDerWaalsContact O-CD 3.29Å; T302-K311 WeakPolarHBondContact O-CD 3.34Å; T302-K311 WeakPolarHBondContact O-CG 3.09Å; K311-L367 HydrophobicContact CG-CD2 3.9Å
312N96.5Very high96.6Very high105 Ų10551.8 Ų51.856%0.56127%0.27SS*.  trans-83.7147.6-175.6-60.9-23.1000111G301 N310G301-N312 WeakPolarHBondContact CA-O 3.42Å; N310-N312 VanDerWaalsContact OD1-CB 3.3Å; N310-N312 WeakPolarHBondContact OD1-CB 3.31Å; N310-N312 PolarHBondContact OD1-N 3.18Å
313N95.8Very high96.5Very high71 Ų7149 Ų4938%0.3825%0.253SS..  trans-74.1147.6169.1-63-11.8000110.1G299 S300 G301G299-N313 CarbonylContact O-C 3.12Å; G299-N313 WeakPolarHBondContact O-CA 3.35Å; G299-N313 WeakPolarHBondContact O-CB 3.4Å; S300-N313 WeakPolarHBondContact CA-OD1 3.44Å; G301-N313 PolarHBondContact N-OD1 3.47Å
314E97.1Very high96.2Very high37 Ų3749.3 Ų49.317%0.17326%0.259CS..EExtended strand (participates in β ladder)trans-119.7113.6178.2-64-72.7-17900108.9F298 G299 L306 H308 L316 K318F298-E314 HydrophobicContact CB-CB 4.48Å; F298-E314 WeakPolarHBondContact CB-O 3.38Å; G299-E314 PolarHBondContact N-O 2.84Å; G299-E314 PolarHBondContact O-N 2.82Å; L306-E314 HydrophobicContact CD1-CB 3.99Å; L306-E314 HydrophobicContact CD1-CG 3.71Å; H308-E314 IonicContact CD2-OE1 3.41Å; E314-L316 VanDerWaalsContact C-N 3.3Å; E314-K318 VanDerWaalsContact CD-CD 3.48Å; E314-K318 HydrophobicContact CG-CD 4.17Å; E314-K318 VanDerWaalsContact OE1-CD 3.26Å; E314-K318 WeakPolarHBondContact OE1-CD 3.49Å; E314-K318 IonicContact OE1-NZ 3.41Å; E314-K318 PolarHBondContact OE1-NZ 2.97Å
315V94.1Very high95.8Very high48 Ų4853.7 Ų53.729%0.29130%0.304SS..EExtended strand (participates in β ladder)trans-83.1-9.6-178.6-60.10000113.5G240 V241 G242 T244G240-V315 CarbonylContact C-O 3.57Å; G240-V315 VanDerWaalsContact C-O 3.24Å; G240-V315 WeakPolarHBondContact CA-O 3.46Å; V241-V315 PolarHBondContact N-O 3.08Å; G242-V315 WeakPolarHBondContact CA-O 3.36Å; G242-V315 PolarHBondContact N-O 3.11Å; T244-V315 HydrophobicContact CG2-CG1 3.6Å
316L95.3Very high95.6Very high87 Ų8755.9 Ų55.946%0.45532%0.318SS..EExtended strand (participates in β ladder)trans-124.5145.6174.4-72.9171.6000109.2G242 E314 K318G242-L316 VanDerWaalsContact CA-CD2 3.41Å; E314-L316 VanDerWaalsContact C-N 3.3Å; L316-K318 PolarHBondContact O-N 3.06Å
317P97.9Very high95.5Very high23 Ų2361.8 Ų61.815%0.14934%0.343CS..EExtended strand (participates in β ladder)trans-55121.4173.1-2534.5000111.4G240 S270 L271 F296 F298G240-P317 VanDerWaalsContact O-CD 3.28Å; G240-P317 WeakPolarHBondContact O-CD 3.09Å; S270-P317 WeakPolarHBondContact OG-CD 3.45Å; L271-P317 HydrophobicContact CD1-CB 4.32Å; L271-P317 HydrophobicContact CD1-CG 3.93Å; L271-P317 HydrophobicContact CD2-CB 3.55Å; L271-P317 HydrophobicContact CD2-CG 3.86Å; L271-P317 HydrophobicContact CG-CB 4.03Å; L271-P317 HydrophobicContact CG-CG 3.73Å; F296-P317 HydrophobicContact CB-CB 4.27Å; F298-P317 HydrophobicContact CD1-CB 3.59Å; F298-P317 HydrophobicContact CD1-CG 3.63Å; F298-P317 HydrophobicContact CE1-CB 3.94Å; F298-P317 HydrophobicContact CE1-CG 3.75Å; F298-P317 HydrophobicContact CG-CB 4.33Å; F298-P317 HydrophobicContact CG-CG 4.07Å; F298-P317 HydrophobicContact CZ-CG 4.28Å
318K97.5Very high95.5Very high76 Ų7661.9 Ų61.933%0.3334%0.344SS..EExtended strand (participates in β ladder)trans-119.9133.9-179-176.4176.4-178-1780109.9F296 T297 H308 E314 L316F296-K318 CarbonylContact C-O 3.47Å; F296-K318 VanDerWaalsContact CA-O 3.26Å; F296-K318 WeakPolarHBondContact CA-O 3.47Å; T297-K318 PolarHBondContact N-O 2.9Å; T297-K318 PolarHBondContact O-N 2.83Å; H308-K318 PolarHBondContact CE1-O 3.41Å; E314-K318 VanDerWaalsContact CD-CD 3.48Å; E314-K318 HydrophobicContact CG-CD 4.17Å; E314-K318 VanDerWaalsContact OE1-CD 3.26Å; E314-K318 WeakPolarHBondContact OE1-CD 3.49Å; E314-K318 IonicContact OE1-NZ 3.41Å; E314-K318 PolarHBondContact OE1-NZ 2.97Å; L316-K318 PolarHBondContact O-N 3.06Å
319Q97.4Very high95.4Very high53 Ų5363.5 Ų63.525%0.24835%0.353CS..EExtended strand (participates in β ladder)trans-71137.6179.6-167175.2-11.400110.7L295 F296 V321L295-Q319 WeakPolarHBondContact O-CA 3.33Å; F296-Q319 HydrophobicContact CD1-CB 3.87Å; F296-Q319 HydrophobicContact CD1-CG 4.44Å; F296-Q319 HydrophobicContact CE1-CB 3.77Å; F296-Q319 HydrophobicContact CE1-CG 4.19Å; F296-Q319 HydrophobicContact CZ-CG 4.49Å; Q319-V321 PolarHBondContact O-N 2.89Å
320V97.9Very high95.4Very high2 Ų262.3 Ų62.31%0.01234%0.338CS..  trans-75.795.9174.3-175.60000109.2L295 T297 E322 L323 P369L295-V320 HydrophobicContact CB-CG2 4.44Å; L295-V320 HydrophobicContact CD2-CG2 4.19Å; L295-V320 HydrophobicContact CG-CG2 4Å; L295-V320 PolarHBondContact O-N 3.22Å; T297-V320 HydrophobicContact CG2-CG2 3.95Å; T297-V320 WeakPolarHBondContact OG1-CG2 3.44Å; V320-E322 VanDerWaalsContact C-N 3.33Å; V320-E322 PolarHBondContact O-N 3.38Å; V320-L323 HydrophobicContact CB-CD1 4.43Å; V320-L323 HydrophobicContact CG1-CB 4.4Å; V320-L323 HydrophobicContact CG1-CD1 3.99Å; V320-L323 HydrophobicContact CG1-CG 4.02Å; V320-L323 PolarHBondContact O-N 3.27Å; V320-L323 VanDerWaalsContact O-N 3.13Å; V320-P369 HydrophobicContact CG1-CG 3.68Å
321V95.5Very high95.4Very high82 Ų8260.1 Ų60.150%0.49733%0.327SS..G310 helixtrans-57.1-40.6-173.2165.60000113.2Q319 L323 M324Q319-V321 PolarHBondContact O-N 2.89Å; V321-L323 PolarHBondContact O-N 3.15Å; V321-L323 VanDerWaalsContact O-N 3.16Å; V321-M324 HydrophobicContact CB-CE 3.86Å; V321-M324 HydrophobicContact CG1-CE 3.46Å; V321-M324 VanDerWaalsContact CG1-CE 3.46Å; V321-M324 HydrophobicContact CG2-CE 3.91Å; V321-M324 WeakPolarHBondContact O-CB 3.35Å; V321-M324 WeakPolarHBondContact O-CG 3.33Å; V321-M324 PolarHBondContact O-N 3.02Å
322E94.3Very high95.5Very high115 Ų11555.2 Ų55.254%0.53731%0.307SS..G310 helixtrans-64.1-20.3-179.5-65-55.1143.700114.1V320 L368 P369V320-E322 VanDerWaalsContact C-N 3.33Å; V320-E322 PolarHBondContact O-N 3.38Å; E322-L368 HydrophobicContact CG-CD2 3.63Å; E322-P369 HydrophobicContact CB-CG 4.09Å
323L94.8Very high95.5Very high8 Ų850.7 Ų50.74%0.04228%0.283CS..G310 helixtrans-95.73.4175.5-62.5175.9000112.2L295 V320 V321 G325 T326 V328 A340 Y347 P369L295-L323 HydrophobicContact CD2-CD1 3.95Å; V320-L323 HydrophobicContact CB-CD1 4.43Å; V320-L323 HydrophobicContact CG1-CB 4.4Å; V320-L323 HydrophobicContact CG1-CD1 3.99Å; V320-L323 HydrophobicContact CG1-CG 4.02Å; V320-L323 PolarHBondContact O-N 3.27Å; V320-L323 VanDerWaalsContact O-N 3.13Å; V321-L323 PolarHBondContact O-N 3.15Å; V321-L323 VanDerWaalsContact O-N 3.16Å; L323-G325 PolarHBondContact O-N 3.41Å; L323-T326 WeakPolarHBondContact O-CB 3.48Å; L323-T326 PolarHBondContact O-N 2.8Å; L323-T326 VanDerWaalsContact O-O 3.12Å; L323-V328 HydrophobicContact CB-CG2 4.4Å; L323-V328 HydrophobicContact CD1-CG2 4.13Å; L323-A340 HydrophobicContact CD1-CB 3.96Å; L323-Y347 HydrophobicContact CD2-CD1 4.19Å; L323-Y347 HydrophobicContact CD2-CD2 3.88Å; L323-Y347 HydrophobicContact CD2-CE2 4.27Å; L323-Y347 HydrophobicContact CD2-CG 3.84Å; L323-P369 HydrophobicContact CD1-CB 4.34Å; L323-P369 HydrophobicContact CD1-CG 4.15Å; L323-P369 HydrophobicContact CD2-CB 3.87Å; L323-P369 HydrophobicContact CD2-CG 4.27Å; L323-P369 HydrophobicContact CG-CB 4.09Å; L323-P369 HydrophobicContact CG-CG 3.93Å
324M90.4Very high95.5Very high101 Ų10147.6 Ų47.650%0.49827%0.267SS..THydrogen-bonded Turntrans-62.1138.7174.2-73-162.3-71.700111.2V321 T326V321-M324 HydrophobicContact CB-CE 3.86Å; V321-M324 HydrophobicContact CG1-CE 3.46Å; V321-M324 VanDerWaalsContact CG1-CE 3.46Å; V321-M324 HydrophobicContact CG2-CE 3.91Å; V321-M324 WeakPolarHBondContact O-CB 3.35Å; V321-M324 WeakPolarHBondContact O-CG 3.33Å; V321-M324 PolarHBondContact O-N 3.02Å; M324-T326 PolarHBondContact O-N 3.36Å
325G88.8Confident95.5Very high92 Ų9249.7 Ų49.795%0.94827%0.274SS*.THydrogen-bonded Turntrans82.2-14.3-172.700000114L323L323-G325 PolarHBondContact O-N 3.41Å
326T93.1Very high95.6Very high47 Ų4747.9 Ų47.929%0.28826%0.263SS..SBendtrans-100.3130172.5-53.30000109.9L323 M324 V328 T342L323-T326 WeakPolarHBondContact O-CB 3.48Å; L323-T326 PolarHBondContact O-N 2.8Å; L323-T326 VanDerWaalsContact O-O 3.12Å; M324-T326 PolarHBondContact O-N 3.36Å; T326-V328 PolarHBondContact O-N 2.9Å; T326-T342 HydrophobicContact CG2-CG2 3.48Å; T326-T342 VanDerWaalsContact CG2-CG2 3.48Å
327K95Very high95.8Very high129 Ų12943.8 Ų43.856%0.56124%0.242SC*.  trans-81.9104.9176.5-169.7175.3-176.8170.90109.9L329K327-L329 HydrophobicContact CD-CD2 4.39Å; K327-L329 HydrophobicContact CG-CD2 4.27Å
328V97.1Very high95.8Very high3 Ų342.7 Ų42.72%0.01823%0.234CC..  trans-71.9129.6171.7-177.10000108.7L289 G293 L295 L323 T326 D330 V331 A340 L341L289-V328 HydrophobicContact CD1-CB 3.8Å; L289-V328 HydrophobicContact CD1-CG1 3.83Å; G293-V328 VanDerWaalsContact CA-O 3.31Å; G293-V328 WeakPolarHBondContact CA-O 3.13Å; G293-V328 WeakPolarHBondContact O-CB 3.46Å; G293-V328 PolarHBondContact O-N 2.73Å; G293-V328 VanDerWaalsContact O-N 3.12Å; L295-V328 HydrophobicContact CB-CG2 4.32Å; L323-V328 HydrophobicContact CB-CG2 4.4Å; L323-V328 HydrophobicContact CD1-CG2 4.13Å; T326-V328 PolarHBondContact O-N 2.9Å; V328-D330 WeakPolarHBondContact CG1-O 3.06Å; V328-V331 HydrophobicContact CG1-CG2 3.76Å; V328-A340 HydrophobicContact CG1-CB 4.18Å; V328-L341 CarbonylContact C-O 3.28Å
329L95.5Very high95.8Very high61 Ų6139 Ų3932%0.31922%0.219SC..  trans-100.7-35.6-177-59.4-177.7000112.2K327 L341 K343 L404K327-L329 HydrophobicContact CD-CD2 4.39Å; K327-L329 HydrophobicContact CG-CD2 4.27Å; L329-L341 PolarHBondContact N-O 2.92Å; L329-K343 HydrophobicContact CD1-CB 4.32Å; L329-L404 HydrophobicContact CB-CD2 4.35Å; L329-L404 HydrophobicContact CD1-CD1 4.34Å
330D95.8Very high95.9Very high11 Ų1136.5 Ų36.56%0.05921%0.207CC..EExtended strand (participates in β ladder)trans-153.8163.5176.8-155.410.6000111R278 V328 L341 V380R278-D330 WeakPolarHBondContact CD-OD1 3.39Å; R278-D330 IonicContact CZ-OD1 2.93Å; R278-D330 IonicContact CZ-OD2 3.47Å; R278-D330 IonicContact NE-OD1 3.53Å; R278-D330 PolarHBondContact NE-OD1 3.17Å; R278-D330 IonicContact NH1-OD1 4Å; R278-D330 PolarHBondContact NH1-OD1 2.8Å; R278-D330 IonicContact NH1-OD2 3.06Å; R278-D330 IonicContact NH2-OD1 3.8Å; V328-D330 WeakPolarHBondContact CG1-O 3.06Å; D330-L341 HydrophobicContact CB-CB 4.08Å; D330-L341 HydrophobicContact CB-CD2 4.02Å; D330-L341 PolarHBondContact N-O 3.2Å; D330-L341 PolarHBondContact O-N 3.04Å; D330-V380 HydrophobicContact CB-CG2 4.36Å
331V97.1Very high95.8Very high2 Ų236.4 Ų36.41%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-139143.9179.8-178.70000109.2V280 L295 V328 T338 L339V280-V331 HydrophobicContact CG2-CB 4.49Å; V280-V331 WeakPolarHBondContact CG2-O 3.16Å; L295-V331 HydrophobicContact CD1-CG1 4.43Å; L295-V331 HydrophobicContact CD1-CG2 3.71Å; L295-V331 HydrophobicContact CD2-CG2 4.15Å; V328-V331 HydrophobicContact CG1-CG2 3.76Å; V331-T338 HydrophobicContact CG1-CG2 3.81Å; V331-L339 CarbonylContact C-O 3.24Å; V331-L339 VanDerWaalsContact CA-O 3.27Å; V331-L339 WeakPolarHBondContact CA-O 3.14Å; V331-L339 WeakPolarHBondContact CG1-O 3.24Å
332A97.7Very high95.8Very high7 Ų732.6 Ų32.66%0.05818%0.183CC..EExtended strand (participates in β ladder)trans-129134167.200000109.6T338 L339 V380 A382A332-T338 CarbonylContact O-C 3.53Å; A332-T338 WeakPolarHBondContact O-CA 3.42Å; A332-L339 HydrophobicContact CB-CB 4.41Å; A332-L339 PolarHBondContact N-O 3.45Å; A332-L339 PolarHBondContact O-N 3.33Å; A332-V380 HydrophobicContact CB-CB 4.15Å; A332-V380 HydrophobicContact CB-CG2 3.92Å; A332-A382 HydrophobicContact CB-CB 3.99Å
333C97.7Very high95.6Very high10 Ų1035.1 Ų35.17%0.06819%0.192CC..EExtended strand (participates in β ladder)trans-113.1125.7174.9-62.90000108.1V280 F285 S287 H337V280-C333 HydrophobicContact CG1-CB 3.86Å; F285-C333 HydrophobicContact CE1-CB 4.44Å; F285-C333 HydrophobicContact CE2-CB 4.11Å; F285-C333 HydrophobicContact CZ-CB 3.66Å; S287-C333 PolarHBondContact OG-SG 3.13Å; C333-H337 CarbonylContact C-O 3.56Å; C333-H337 WeakPolarHBondContact CA-O 3Å
334G96.4Very high95.2Very high5 Ų539.2 Ų39.25%0.05221%0.214CC..  trans-88.2-157.7165.500000110.6G282 C336 H337 A382 G383G282-G334 WeakPolarHBondContact CA-O 3.18Å; G334-C336 PolarHBondContact O-N 3.25Å; G334-H337 PolarHBondContact N-O 3.27Å; G334-A382 VanDerWaalsContact N-CB 3.32Å; G334-G383 CarbonylContact C-O 3.29Å; G334-G383 WeakPolarHBondContact CA-O 3.46Å
335R96Very high95.4Very high82 Ų8238.9 Ų38.931%0.30921%0.21SC..SBendtrans-58-53.9179.1-170.7-177.5-179-140.7-11.9112.4E283 G383 G384E283-R335 HydrophobicContact CB-CG 3.91Å; E283-R335 WeakPolarHBondContact CB-O 3.48Å; E283-R335 VanDerWaalsContact CD-NE 3.29Å; E283-R335 HydrophobicContact CG-CG 4.34Å; E283-R335 PolarHBondContact N-O 2.75Å; E283-R335 VanDerWaalsContact N-O 3.15Å; E283-R335 IonicContact OE1-CZ 3.39Å; E283-R335 IonicContact OE1-NE 2.7Å; E283-R335 PolarHBondContact OE1-NE 2.93Å; E283-R335 IonicContact OE1-NH2 3Å; E283-R335 PolarHBondContact OE1-NH2 3.49Å; E283-R335 VanDerWaalsContact OE1-NH2 3.11Å; E283-R335 WeakPolarHBondContact OE2-CD 3.47Å; E283-R335 WeakPolarHBondContact OE2-CG 3.06Å; E283-R335 IonicContact OE2-CZ 3.14Å; E283-R335 VanDerWaalsContact OE2-CZ 3.3Å; E283-R335 IonicContact OE2-NE 3.97Å; E283-R335 PolarHBondContact OE2-NE 3.23Å; E283-R335 IonicContact OE2-NH2 2.81Å; E283-R335 PolarHBondContact OE2-NH2 2.83Å; R335-G383 PolarHBondContact N-O 3.27Å; R335-G383 VanDerWaalsContact N-O 3.17Å; R335-G384 WeakPolarHBondContact CB-O 3.41Å; R335-G384 PolarHBondContact N-O 3.48Å
336C97.4Very high95.8Very high10 Ų1034.5 Ų34.57%0.06817%0.165CC..SBendtrans-137.929.5-173.7-68.70000112Y303 Q305 G334 L351Y303-C336 HydrophobicContact CD2-CB 3.76Å; Y303-C336 HydrophobicContact CE2-CB 4.32Å; Q305-C336 WeakPolarHBondContact CB-O 3.46Å; G334-C336 PolarHBondContact O-N 3.25Å; C336-L351 HydrophobicContact CB-CB 3.83Å; C336-L351 HydrophobicContact CB-CD2 4Å; C336-L351 WeakPolarHBondContact O-CB 3.09Å; C336-L351 PolarHBondContact O-N 2.93Å
337H98.1Very high96Very high0 Ų034.2 Ų34.20%016%0.159CC..EExtended strand (participates in β ladder)trans-150.7159.5178.667.2-74.2000111.9C333 G334 F349 Q356 L357 S387C333-H337 CarbonylContact C-O 3.56Å; C333-H337 WeakPolarHBondContact CA-O 3Å; G334-H337 PolarHBondContact N-O 3.27Å; H337-F349 CarbonylContact C-O 3.53Å; H337-F349 WeakPolarHBondContact CA-O 3.5Å; H337-F349 WeakPolarHBondContact CB-O 3.37Å; H337-Q356 HydrophobicContact CB-CG 4.49Å; H337-L357 HydrophobicContact CB-CD2 3.68Å; H337-S387 PolarHBondContact NE2-OG 3.08Å
338T98.5Very high96.1Very high0 Ų028 Ų280%013%0.132CC..EExtended strand (participates in β ladder)trans-133137.6-176-57.10000110F285 Q305 V331 A332 A348 F349F285-T338 WeakPolarHBondContact CE2-OG1 3.46Å; F285-T338 VanDerWaalsContact CZ-OG1 3.28Å; F285-T338 WeakPolarHBondContact CZ-OG1 3.47Å; Q305-T338 PolarHBondContact O-OG1 3.21Å; V331-T338 HydrophobicContact CG1-CG2 3.81Å; A332-T338 CarbonylContact O-C 3.53Å; A332-T338 WeakPolarHBondContact O-CA 3.42Å; T338-A348 WeakPolarHBondContact O-CA 3.49Å; T338-F349 HydrophobicContact CG2-CE1 4.04Å; T338-F349 HydrophobicContact CG2-CE2 3.84Å; T338-F349 HydrophobicContact CG2-CZ 3.46Å; T338-F349 VanDerWaalsContact CG2-CZ 3.46Å; T338-F349 PolarHBondContact N-O 3.13Å; T338-F349 PolarHBondContact O-N 2.98Å
339L98.2Very high96.2Very high0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-115.3130.5170.6-54.1178.4000108.8V331 A332 V346 Y347 A348 V380 A382V331-L339 CarbonylContact C-O 3.24Å; V331-L339 VanDerWaalsContact CA-O 3.27Å; V331-L339 WeakPolarHBondContact CA-O 3.14Å; V331-L339 WeakPolarHBondContact CG1-O 3.24Å; A332-L339 HydrophobicContact CB-CB 4.41Å; A332-L339 PolarHBondContact N-O 3.45Å; A332-L339 PolarHBondContact O-N 3.33Å; L339-V346 HydrophobicContact CB-CG1 4.28Å; L339-Y347 CarbonylContact C-O 3.56Å; L339-Y347 WeakPolarHBondContact CA-O 3.37Å; L339-A348 HydrophobicContact CD2-CB 3.44Å; L339-A348 VanDerWaalsContact CD2-CB 3.44Å; L339-V380 HydrophobicContact CB-CB 4.23Å; L339-V380 HydrophobicContact CB-CG1 4.34Å; L339-V380 HydrophobicContact CD1-CB 4.39Å; L339-A382 HydrophobicContact CD1-CB 4.42Å
340A97.9Very high96.3Very high0 Ų025 Ų250%012%0.116CC..EExtended strand (participates in β ladder)trans-117.5116.8175.800000109.6L295 L323 V328 V346 Y347L295-A340 HydrophobicContact CD2-CB 4.15Å; L323-A340 HydrophobicContact CD1-CB 3.96Å; V328-A340 HydrophobicContact CG1-CB 4.18Å; A340-V346 WeakPolarHBondContact O-CA 3.33Å; A340-Y347 PolarHBondContact N-O 2.8Å; A340-Y347 PolarHBondContact O-N 2.58Å
341L97.2Very high96.4Very high0 Ų025 Ų250%012%0.116CC..EExtended strand (participates in β ladder)trans-85.6135177.6178.664.6000110.3V328 L329 D330 V346 P377 S378 V380 L404V328-L341 CarbonylContact C-O 3.28Å; L329-L341 PolarHBondContact N-O 2.92Å; D330-L341 HydrophobicContact CB-CB 4.08Å; D330-L341 HydrophobicContact CB-CD2 4.02Å; D330-L341 PolarHBondContact N-O 3.2Å; D330-L341 PolarHBondContact O-N 3.04Å; L341-V346 HydrophobicContact CD1-CG2 3.92Å; L341-P377 HydrophobicContact CD1-CB 3.66Å; L341-P377 HydrophobicContact CD1-CG 3.62Å; L341-S378 VanDerWaalsContact CD2-O 3.3Å; L341-S378 WeakPolarHBondContact CD2-O 3.11Å; L341-V380 HydrophobicContact CB-CG1 3.87Å; L341-V380 HydrophobicContact CB-CG2 4.01Å; L341-V380 HydrophobicContact CD1-CG1 4.35Å; L341-L404 HydrophobicContact CD2-CD1 4.38Å; L341-L404 HydrophobicContact CD2-CD2 4.16Å
342T95Very high96.3Very high1 Ų124.9 Ų24.91%0.00612%0.115CC..  trans-124.1-178.3171.667.90000108.8T326 D344 K345 Y347T326-T342 HydrophobicContact CG2-CG2 3.48Å; T326-T342 VanDerWaalsContact CG2-CG2 3.48Å; T342-D344 PolarHBondContact O-N 3.12Å; T342-D344 PolarHBondContact OG1-OD1 3.23Å; T342-K345 PolarHBondContact N-O 3.04Å; T342-K345 PolarHBondContact OG1-N 3.23Å; T342-K345 VanDerWaalsContact OG1-N 3.09Å; T342-K345 PolarHBondContact OG1-O 3.45Å; T342-Y347 HydrophobicContact CG2-CD2 3.89Å; T342-Y347 HydrophobicContact CG2-CE2 3.81Å
343K89.3Confident96.2Very high168 Ų16828.4 Ų28.473%0.7313%0.132SC*.SBendtrans-60.7-34.3-178-176.1-178.5175.9-174.50112.9L329L329-K343 HydrophobicContact CD1-CB 4.32Å
344D87.3Confident96Very high94 Ų9428.3 Ų28.350%0.50313%0.131SC..SBendtrans-121.4-24.6-169.759.1-47.7000113.5T342 P377T342-D344 PolarHBondContact O-N 3.12Å; T342-D344 PolarHBondContact OG1-OD1 3.23Å; D344-P377 WeakPolarHBondContact O-CD 3.45Å
345K94.2Very high96Very high95 Ų9528 Ų2841%0.41313%0.129SC..  trans-134.5158.2-172.3-65.5172.9-170.91770112.5T342 Y347T342-K345 PolarHBondContact N-O 3.04Å; T342-K345 PolarHBondContact OG1-N 3.23Å; T342-K345 VanDerWaalsContact OG1-N 3.09Å; T342-K345 PolarHBondContact OG1-O 3.45Å; K345-Y347 HydrophobicContact CB-CD2 4.5Å; K345-Y347 HydrophobicContact CB-CE2 3.95Å; K345-Y347 HydrophobicContact CD-CE2 4.5Å
346V96.6Very high96Very high0 Ų024.1 Ų24.10%011%0.114CC..EExtended strand (participates in β ladder)trans-107.8131.7161.3-177.50000108.1L339 A340 L341 A371 V372 P377 V380 L389L339-V346 HydrophobicContact CB-CG1 4.28Å; A340-V346 WeakPolarHBondContact O-CA 3.33Å; L341-V346 HydrophobicContact CD1-CG2 3.92Å; V346-A371 CarbonylContact O-C 3.57Å; V346-A371 WeakPolarHBondContact O-CA 3.25Å; V346-V372 HydrophobicContact CB-CB 4.3Å; V346-V372 HydrophobicContact CB-CG2 4.32Å; V346-V372 HydrophobicContact CG1-CG2 4.11Å; V346-V372 PolarHBondContact O-N 2.76Å; V346-P377 HydrophobicContact CG2-CB 3.43Å; V346-P377 VanDerWaalsContact CG2-CB 3.43Å; V346-P377 HydrophobicContact CG2-CG 3.65Å; V346-V380 HydrophobicContact CG1-CG1 3.87Å; V346-V380 HydrophobicContact CG2-CG1 3.94Å; V346-L389 HydrophobicContact CG1-CD2 4.2Å; V346-L389 HydrophobicContact CG2-CD1 4.46Å; V346-L389 HydrophobicContact CG2-CD2 3.96Å
347Y97.4Very high96Very high40 Ų4023.7 Ų23.716%0.15711%0.111CC..EExtended strand (participates in β ladder)trans-103.7138.2169.5-63.9-93.5000109.5L323 L339 A340 T342 K345 P369 Q370 A371L323-Y347 HydrophobicContact CD2-CD1 4.19Å; L323-Y347 HydrophobicContact CD2-CD2 3.88Å; L323-Y347 HydrophobicContact CD2-CE2 4.27Å; L323-Y347 HydrophobicContact CD2-CG 3.84Å; L339-Y347 CarbonylContact C-O 3.56Å; L339-Y347 WeakPolarHBondContact CA-O 3.37Å; A340-Y347 PolarHBondContact N-O 2.8Å; A340-Y347 PolarHBondContact O-N 2.58Å; T342-Y347 HydrophobicContact CG2-CD2 3.89Å; T342-Y347 HydrophobicContact CG2-CE2 3.81Å; K345-Y347 HydrophobicContact CB-CD2 4.5Å; K345-Y347 HydrophobicContact CB-CE2 3.95Å; K345-Y347 HydrophobicContact CD-CE2 4.5Å; Y347-P369 HydrophobicContact CD1-CB 4.26Å; Y347-P369 HydrophobicContact CG-CB 4.39Å; Y347-Q370 CarbonylContact C-O 3.49Å; Y347-Q370 VanDerWaalsContact CA-O 3.3Å; Y347-Q370 WeakPolarHBondContact CA-O 3.11Å; Y347-A371 HydrophobicContact CD1-CB 4.44Å; Y347-A371 HydrophobicContact CE1-CB 4.31Å
348A97.9Very high95.8Very high0 Ų023.7 Ų23.70%011%0.111CC..EExtended strand (participates in β ladder)trans-127.6143.717900000111T338 L339 L357 I359 Q370 V372T338-A348 WeakPolarHBondContact O-CA 3.49Å; L339-A348 HydrophobicContact CD2-CB 3.44Å; L339-A348 VanDerWaalsContact CD2-CB 3.44Å; A348-L357 HydrophobicContact CB-CB 3.96Å; A348-L357 HydrophobicContact CB-CD2 4.03Å; A348-L357 HydrophobicContact CB-CG 4.47Å; A348-I359 HydrophobicContact CB-CD1 4.18Å; A348-Q370 PolarHBondContact N-O 3.14Å; A348-Q370 PolarHBondContact O-N 3.14Å; A348-V372 HydrophobicContact CB-CG2 3.45Å; A348-V372 VanDerWaalsContact CB-CG2 3.45Å
349F98.2Very high95.7Very high0 Ų023.9 Ų23.90%011%0.112CC..EExtended strand (participates in β ladder)trans-155.6157.7177.449.1-82.1000111.2L295 Q305 G307 H337 T338 P369L295-F349 HydrophobicContact CD2-CZ 4.28Å; Q305-F349 WeakPolarHBondContact O-CD2 2.93Å; Q305-F349 WeakPolarHBondContact O-CE2 3.28Å; G307-F349 VanDerWaalsContact N-CD2 3.32Å; H337-F349 CarbonylContact C-O 3.53Å; H337-F349 WeakPolarHBondContact CA-O 3.5Å; H337-F349 WeakPolarHBondContact CB-O 3.37Å; T338-F349 HydrophobicContact CG2-CE1 4.04Å; T338-F349 HydrophobicContact CG2-CE2 3.84Å; T338-F349 HydrophobicContact CG2-CZ 3.46Å; T338-F349 VanDerWaalsContact CG2-CZ 3.46Å; T338-F349 PolarHBondContact N-O 3.13Å; T338-F349 PolarHBondContact O-N 2.98Å; F349-P369 HydrophobicContact CD1-CB 3.77Å; F349-P369 HydrophobicContact CD1-CG 3.77Å; F349-P369 HydrophobicContact CE1-CB 4.09Å; F349-P369 HydrophobicContact CE1-CG 3.88Å; F349-P369 HydrophobicContact CG-CG 4.38Å
350G97.9Very high95.2Very high0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans110.3-153.6-173.600000114Y303 C365 C366Y303-G350 CarbonylContact O-C 3.48Å; Y303-G350 VanDerWaalsContact O-C 3.3Å; Y303-G350 VanDerWaalsContact O-CA 3.3Å; Y303-G350 WeakPolarHBondContact O-CA 3.3Å; G350-C365 CarbonylContact O-C 3.57Å; G350-C365 WeakPolarHBondContact O-CA 3.49Å; G350-C365 WeakPolarHBondContact O-CB 3.46Å; G350-C366 PolarHBondContact N-O 3.22Å; G350-C366 PolarHBondContact O-N 2.93Å
351L97.5Very high94.7Very high10 Ų1033.4 Ų33.45%0.05217%0.166CC..EExtended strand (participates in β ladder)trans-64.2139.5-178.8-175.268000112Y303 C336 I353 Q356Y303-L351 HydrophobicContact CD1-CD1 3.63Å; Y303-L351 HydrophobicContact CE1-CD1 3.92Å; Y303-L351 HydrophobicContact CG-CB 4.17Å; Y303-L351 HydrophobicContact CG-CD1 4.02Å; C336-L351 HydrophobicContact CB-CB 3.83Å; C336-L351 HydrophobicContact CB-CD2 4Å; C336-L351 WeakPolarHBondContact O-CB 3.09Å; C336-L351 PolarHBondContact O-N 2.93Å; L351-I353 HydrophobicContact CD1-CB 4.41Å; L351-I353 HydrophobicContact CD1-CD1 4.29Å; L351-I353 HydrophobicContact CD1-CG1 4.03Å; L351-I353 HydrophobicContact CD1-CG2 3.73Å; L351-I353 HydrophobicContact CD2-CD1 4.11Å; L351-I353 HydrophobicContact CD2-CG1 4.08Å; L351-I353 HydrophobicContact CG-CD1 4.45Å; L351-I353 HydrophobicContact CG-CG1 3.99Å; L351-Q356 WeakPolarHBondContact O-CG 3.08Å; L351-Q356 PolarHBondContact O-NE2 3.41Å
352N96.7Very high94.4Very high0 Ų034 Ų340%017%0.17CC..  trans-136.916.4178.5-157.238.7000115.2S354 G355 Q356 L357 V362 D364N352-S354 PolarHBondContact O-N 2.88Å; N352-S354 VanDerWaalsContact O-N 3.08Å; N352-G355 PolarHBondContact O-N 2.62Å; N352-G355 VanDerWaalsContact OD1-CA 3.25Å; N352-G355 WeakPolarHBondContact OD1-CA 3.13Å; N352-Q356 VanDerWaalsContact CA-OE1 3.29Å; N352-Q356 PolarHBondContact OD1-N 3.43Å; N352-L357 HydrophobicContact CB-CB 4.44Å; N352-L357 HydrophobicContact CB-CD1 3.74Å; N352-L357 HydrophobicContact CB-CG 3.8Å; N352-L357 VanDerWaalsContact OD1-CB 3.3Å; N352-L357 WeakPolarHBondContact OD1-CB 3.37Å; N352-L357 WeakPolarHBondContact OD1-CG 3.48Å; N352-L357 PolarHBondContact OD1-N 2.99Å; N352-V362 HydrophobicContact CB-CG1 3.92Å; N352-V362 PolarHBondContact ND2-O 3.34Å; N352-D364 WeakPolarHBondContact CA-O 3.25Å; N352-D364 PolarHBondContact N-O 2.94Å
353I94.8Very high94.1Very high82 Ų8241.4 Ų41.442%0.42120%0.202SC..THydrogen-bonded Turntrans-55.9-30.8-17758.7173.5000113.5L351L351-I353 HydrophobicContact CD1-CB 4.41Å; L351-I353 HydrophobicContact CD1-CD1 4.29Å; L351-I353 HydrophobicContact CD1-CG1 4.03Å; L351-I353 HydrophobicContact CD1-CG2 3.73Å; L351-I353 HydrophobicContact CD2-CD1 4.11Å; L351-I353 HydrophobicContact CD2-CG1 4.08Å; L351-I353 HydrophobicContact CG-CD1 4.45Å; L351-I353 HydrophobicContact CG-CG1 3.99Å
354S94.3Very high94.2Very high7 Ų738.7 Ų38.75%0.04920%0.196CC..THydrogen-bonded Turntrans-103.96.1-179.2-62.50000112.1G10 N25 N352 E385G10-S354 CarbonylContact C-O 3.51Å; G10-S354 WeakPolarHBondContact CA-O 3.5Å; N25-S354 WeakPolarHBondContact CB-O 3.19Å; N352-S354 PolarHBondContact O-N 2.88Å; N352-S354 VanDerWaalsContact O-N 3.08Å; S354-E385 PolarHBondContact OG-OE2 3.24Å
355G95.2Very high94.5Very high0 Ų036 Ų360%018%0.184CC..SBendtrans80.213.6-177.400000114.9N352 L357 G358N352-G355 PolarHBondContact O-N 2.62Å; N352-G355 VanDerWaalsContact OD1-CA 3.25Å; N352-G355 WeakPolarHBondContact OD1-CA 3.13Å; G355-L357 PolarHBondContact O-N 3.07Å; G355-L357 VanDerWaalsContact O-N 3.1Å; G355-G358 PolarHBondContact O-N 2.86Å
356Q96.4Very high94.6Very high0 Ų032.1 Ų32.10%017%0.168CC..THydrogen-bonded Turntrans-67-8.1-173.465.3-97.851.900115.8F9 H337 L351 N352 E385 S387F9-Q356 WeakPolarHBondContact CD2-O 3.39Å; F9-Q356 WeakPolarHBondContact CE2-O 3.31Å; H337-Q356 HydrophobicContact CB-CG 4.49Å; L351-Q356 WeakPolarHBondContact O-CG 3.08Å; L351-Q356 PolarHBondContact O-NE2 3.41Å; N352-Q356 VanDerWaalsContact CA-OE1 3.29Å; N352-Q356 PolarHBondContact OD1-N 3.43Å; Q356-E385 WeakPolarHBondContact CB-O 3.41Å; Q356-S387 WeakPolarHBondContact O-CB 3.49Å; Q356-S387 PolarHBondContact O-OG 3.29Å
357L96.8Very high94.6Very high0 Ų034.7 Ų34.70%018%0.182CC..THydrogen-bonded Turntrans-87.2-17170.1-55.1-174.3000112.5H337 A348 N352 G355 I359 V362 C366 V372H337-L357 HydrophobicContact CB-CD2 3.68Å; A348-L357 HydrophobicContact CB-CB 3.96Å; A348-L357 HydrophobicContact CB-CD2 4.03Å; A348-L357 HydrophobicContact CB-CG 4.47Å; N352-L357 HydrophobicContact CB-CB 4.44Å; N352-L357 HydrophobicContact CB-CD1 3.74Å; N352-L357 HydrophobicContact CB-CG 3.8Å; N352-L357 VanDerWaalsContact OD1-CB 3.3Å; N352-L357 WeakPolarHBondContact OD1-CB 3.37Å; N352-L357 WeakPolarHBondContact OD1-CG 3.48Å; N352-L357 PolarHBondContact OD1-N 2.99Å; G355-L357 PolarHBondContact O-N 3.07Å; G355-L357 VanDerWaalsContact O-N 3.1Å; L357-I359 HydrophobicContact CB-CD1 4.25Å; L357-I359 HydrophobicContact CB-CG1 4.39Å; L357-I359 PolarHBondContact O-N 2.81Å; L357-V362 HydrophobicContact CD1-CG1 4.29Å; L357-C366 HydrophobicContact CD1-CB 3.66Å; L357-V372 WeakPolarHBondContact O-CG2 3.33Å
358G95.1Very high94.5Very high1 Ų136.3 Ų36.31%0.0119%0.193CC..  trans70.416.6179.900000114.1R27 G355R27-G358 CarbonylContact O-C 3.53Å; R27-G358 VanDerWaalsContact O-C 3.28Å; R27-G358 WeakPolarHBondContact O-CA 3.34Å; G355-G358 PolarHBondContact O-N 2.86Å
359I95.3Very high94.5Very high4 Ų437.2 Ų37.22%0.02120%0.199CC..  trans-107108.1-180-55.9165.1000108.2A348 L357 D361 V362 Q370 V372A348-I359 HydrophobicContact CB-CD1 4.18Å; L357-I359 HydrophobicContact CB-CD1 4.25Å; L357-I359 HydrophobicContact CB-CG1 4.39Å; L357-I359 PolarHBondContact O-N 2.81Å; I359-D361 VanDerWaalsContact C-N 3.29Å; I359-D361 PolarHBondContact O-N 3.26Å; I359-V362 HydrophobicContact CB-CB 4.32Å; I359-V362 HydrophobicContact CB-CG2 4Å; I359-V362 HydrophobicContact CD1-CG2 4.46Å; I359-V362 HydrophobicContact CG2-CB 4.34Å; I359-V362 HydrophobicContact CG2-CG2 3.66Å; I359-V362 PolarHBondContact O-N 3.1Å; I359-Q370 HydrophobicContact CD1-CB 3.77Å; I359-Q370 HydrophobicContact CD1-CG 3.91Å; I359-V372 HydrophobicContact CD1-CG2 4.49Å; I359-V372 HydrophobicContact CG1-CG2 4.26Å
360P87.5Confident94.4Very high55 Ų5540.7 Ų40.736%0.35722%0.215SC..THydrogen-bonded Turntrans-60.8-34-172.86.6-14.4000114.3M28 V362M28-P360 HydrophobicContact CG-CB 3.97Å; M28-P360 HydrophobicContact CG-CG 3.82Å; M28-P360 HydrophobicContact SD-CB 4.25Å; M28-P360 HydrophobicContact SD-CG 4Å; P360-V362 VanDerWaalsContact C-N 3.32Å; P360-V362 PolarHBondContact O-N 3.39Å
361D88.4Confident94.3Very high144 Ų14442.7 Ų42.777%0.7723%0.232SC*.THydrogen-bonded Turntrans-77.7-14.4-176.4-60.6-38.3000113.9I359I359-D361 VanDerWaalsContact C-N 3.29Å; I359-D361 PolarHBondContact O-N 3.26Å
362V91.1Very high94.2Very high14 Ų1442.7 Ų42.79%0.08523%0.232CC..  trans-89.1121.3179.3177.10000109.2R27 N352 L357 I359 P360 C366R27-V362 PolarHBondContact NH1-O 3.31Å; N352-V362 HydrophobicContact CB-CG1 3.92Å; N352-V362 PolarHBondContact ND2-O 3.34Å; L357-V362 HydrophobicContact CD1-CG1 4.29Å; I359-V362 HydrophobicContact CB-CB 4.32Å; I359-V362 HydrophobicContact CB-CG2 4Å; I359-V362 HydrophobicContact CD1-CG2 4.46Å; I359-V362 HydrophobicContact CG2-CB 4.34Å; I359-V362 HydrophobicContact CG2-CG2 3.66Å; I359-V362 PolarHBondContact O-N 3.1Å; P360-V362 VanDerWaalsContact C-N 3.32Å; P360-V362 PolarHBondContact O-N 3.39Å; V362-C366 HydrophobicContact CG1-CB 4.05Å; V362-C366 HydrophobicContact CG2-CB 4.43Å
363K87.3Confident94Very high155 Ų15546.7 Ų46.767%0.67426%0.258SS*.  trans-84.7-65179.6-70.2-173.6179.5-179.20113.4
364D91.9Very high93.7Very high112 Ų11244.9 Ų44.960%0.59925%0.252SS*.SBendtrans-104.5-50.5-166.3-58.4-30.6000113.2N352N352-D364 WeakPolarHBondContact CA-O 3.25Å; N352-D364 PolarHBondContact N-O 2.94Å
365C94.2Very high93.3Very high37 Ų3750 Ų5025%0.2527%0.274CS..EExtended strand (participates in β ladder)trans-157.6159.8179.361.60000111.2Y303 G350Y303-C365 WeakPolarHBondContact O-CB 3.49Å; G350-C365 CarbonylContact O-C 3.57Å; G350-C365 WeakPolarHBondContact O-CA 3.49Å; G350-C365 WeakPolarHBondContact O-CB 3.46Å
366C95.4Very high93Very high13 Ų1352.6 Ų52.69%0.08829%0.289CS..EExtended strand (participates in β ladder)trans-124.4119.7174.7-166.20000109.9G350 L357 V362 L368 Q370G350-C366 PolarHBondContact N-O 3.22Å; G350-C366 PolarHBondContact O-N 2.93Å; L357-C366 HydrophobicContact CD1-CB 3.66Å; V362-C366 HydrophobicContact CG1-CB 4.05Å; V362-C366 HydrophobicContact CG2-CB 4.43Å; C366-L368 PolarHBondContact SG-O 2.71Å; C366-Q370 PolarHBondContact SG-OE1 2.76Å
367L96.6Very high92.7Very high54 Ų5452.8 Ų52.828%0.28329%0.291SS..EExtended strand (participates in β ladder)trans-88.2-16.3-172.3-51.9-176.4000113.7G307 G309 K311G307-L367 CarbonylContact C-O 3.28Å; G307-L367 WeakPolarHBondContact CA-O 3.39Å; G309-L367 WeakPolarHBondContact CA-O 3.36Å; G309-L367 PolarHBondContact N-O 3.48Å; K311-L367 HydrophobicContact CG-CD2 3.9Å
368L96.3Very high92.4Very high74 Ų7453.2 Ų53.239%0.38729%0.293SS..EExtended strand (participates in β ladder)trans-124.1149.5179.9-65.4167.2000108.5E322 C366 Q370E322-L368 HydrophobicContact CG-CD2 3.63Å; C366-L368 PolarHBondContact SG-O 2.71Å; L368-Q370 PolarHBondContact O-N 2.94Å
369P97.2Very high92.3Very high19 Ų1954.1 Ų54.112%0.12330%0.296CS..EExtended strand (participates in β ladder)trans-57.1121.6176.3-23.433.9000112.2V320 E322 L323 Y347 F349V320-P369 HydrophobicContact CG1-CG 3.68Å; E322-P369 HydrophobicContact CB-CG 4.09Å; L323-P369 HydrophobicContact CD1-CB 4.34Å; L323-P369 HydrophobicContact CD1-CG 4.15Å; L323-P369 HydrophobicContact CD2-CB 3.87Å; L323-P369 HydrophobicContact CD2-CG 4.27Å; L323-P369 HydrophobicContact CG-CB 4.09Å; L323-P369 HydrophobicContact CG-CG 3.93Å; Y347-P369 HydrophobicContact CD1-CB 4.26Å; Y347-P369 HydrophobicContact CG-CB 4.39Å; F349-P369 HydrophobicContact CD1-CB 3.77Å; F349-P369 HydrophobicContact CD1-CG 3.77Å; F349-P369 HydrophobicContact CE1-CB 4.09Å; F349-P369 HydrophobicContact CE1-CG 3.88Å; F349-P369 HydrophobicContact CG-CG 4.38Å
370Q96.3Very high92.3Very high73 Ų7354.1 Ų54.134%0.34130%0.297SS..EExtended strand (participates in β ladder)trans-122.7139.2178.6-173.9173.69.300111Y347 A348 I359 C366 L368 V372Y347-Q370 CarbonylContact C-O 3.49Å; Y347-Q370 VanDerWaalsContact CA-O 3.3Å; Y347-Q370 WeakPolarHBondContact CA-O 3.11Å; A348-Q370 PolarHBondContact N-O 3.14Å; A348-Q370 PolarHBondContact O-N 3.14Å; I359-Q370 HydrophobicContact CD1-CB 3.77Å; I359-Q370 HydrophobicContact CD1-CG 3.91Å; C366-Q370 PolarHBondContact SG-OE1 2.76Å; L368-Q370 PolarHBondContact O-N 2.94Å; Q370-V372 PolarHBondContact O-N 2.89Å
371A95.4Very high92.7Very high43 Ų4352.7 Ų52.736%0.35529%0.285SS..EExtended strand (participates in β ladder)trans-66.5129.9-177.100000111.7V346 Y347V346-A371 CarbonylContact O-C 3.57Å; V346-A371 WeakPolarHBondContact O-CA 3.25Å; Y347-A371 HydrophobicContact CD1-CB 4.44Å; Y347-A371 HydrophobicContact CE1-CB 4.31Å
372V95.5Very high93.1Very high9 Ų946.6 Ų46.66%0.05526%0.255CS..  trans-81.6126.8173.6-174.40000108.9F9 V346 A348 L357 I359 Q370 C374 L389F9-V372 HydrophobicContact CZ-CG1 4.43Å; V346-V372 HydrophobicContact CB-CB 4.3Å; V346-V372 HydrophobicContact CB-CG2 4.32Å; V346-V372 HydrophobicContact CG1-CG2 4.11Å; V346-V372 PolarHBondContact O-N 2.76Å; A348-V372 HydrophobicContact CB-CG2 3.45Å; A348-V372 VanDerWaalsContact CB-CG2 3.45Å; L357-V372 WeakPolarHBondContact O-CG2 3.33Å; I359-V372 HydrophobicContact CD1-CG2 4.49Å; I359-V372 HydrophobicContact CG1-CG2 4.26Å; Q370-V372 PolarHBondContact O-N 2.89Å; V372-C374 PolarHBondContact O-N 2.8Å; V372-L389 HydrophobicContact CG1-CD1 4.34Å
373P92.3Very high93.3Very high84 Ų8446.2 Ų46.255%0.54525%0.254SS..  trans-65.5106.5174-19.732.4000111.1
374C89.1Confident93.6Very high45 Ų4539.2 Ų39.230%0.30423%0.225SC..  trans-152.1172.4175.362.40000111.9L7 V372 L389L7-C374 HydrophobicContact CD1-CB 4.32Å; V372-C374 PolarHBondContact O-N 2.8Å; C374-L389 HydrophobicContact CB-CD1 4.09Å
375K85.7Confident93.8Very high115 Ų11535.7 Ų35.750%0.521%0.205SC..SBendtrans-69.4-171.4168.1-63.7176.3-173.4165.70109.6E5 P377 C391E5-K375 IonicContact OE1-NZ 3.98Å; E5-K375 IonicContact OE2-NZ 2.68Å; E5-K375 PolarHBondContact OE2-NZ 3.32Å; K375-P377 WeakPolarHBondContact O-CD 3.12Å; K375-C391 HydrophobicContact CB-CB 4.18Å
376V88.3Confident94Very high53 Ų5333.9 Ų33.932%0.32119%0.193SC..SBendtrans-61.1111.1176.5-176.20000109.8C391 L392 L395V376-C391 WeakPolarHBondContact O-CA 2.94Å; V376-L392 HydrophobicContact CG1-CD1 4.29Å; V376-L392 PolarHBondContact O-N 3.09Å; V376-L395 HydrophobicContact CG2-CD1 3.94Å
377P90.5Very high94.1Very high5 Ų533.3 Ų33.33%0.03219%0.189CC..EExtended strand (participates in β ladder)trans-80.5145.7-176.334.8-34.8000110.4L341 D344 V346 K375L341-P377 HydrophobicContact CD1-CB 3.66Å; L341-P377 HydrophobicContact CD1-CG 3.62Å; D344-P377 WeakPolarHBondContact O-CD 3.45Å; V346-P377 HydrophobicContact CG2-CB 3.43Å; V346-P377 VanDerWaalsContact CG2-CB 3.43Å; V346-P377 HydrophobicContact CG2-CG 3.65Å; K375-P377 WeakPolarHBondContact O-CD 3.12Å
378S90.5Very high94.1Very high8 Ų830.7 Ų30.76%0.05618%0.175CC..EExtended strand (participates in β ladder)trans-118.6-32.1175.665.30000113.3E4 L341 L390 L404E4-S378 VanDerWaalsContact OE1-CB 3.27Å; E4-S378 WeakPolarHBondContact OE1-CB 3.43Å; E4-S378 PolarHBondContact OE1-OG 3.22Å; L341-S378 VanDerWaalsContact CD2-O 3.3Å; L341-S378 WeakPolarHBondContact CD2-O 3.11Å; S378-L390 PolarHBondContact N-O 2.87Å; S378-L390 WeakPolarHBondContact OG-CB 3.4Å; S378-L390 PolarHBondContact OG-O 3.12Å; S378-L404 WeakPolarHBondContact O-CD1 3.33Å
379R92.6Very high94Very high21 Ų2127.2 Ų27.28%0.07916%0.157CC..EExtended strand (participates in β ladder)trans-146.9154.7177.4-54.2-175167.3-172.8-10.1112R42 F381 L389 L390R42-R379 PolarHBondContact O-NH1 2.64Å; R379-F381 HydrophobicContact CB-CE2 3.81Å; R379-F381 HydrophobicContact CB-CZ 3.83Å; R379-L389 WeakPolarHBondContact O-CA 3.49Å; R379-L390 HydrophobicContact CB-CB 4.06Å; R379-L390 HydrophobicContact CB-CD1 3.95Å; R379-L390 HydrophobicContact CG-CB 4.46Å; R379-L390 HydrophobicContact CG-CD1 4.1Å; R379-L390 PolarHBondContact N-O 3.02Å; R379-L390 PolarHBondContact O-N 3.35Å
380V96Very high93.7Very high4 Ų426.3 Ų26.32%0.02415%0.151CC..EExtended strand (participates in β ladder)trans-125.5138179.5-69.10000110.1D330 A332 L339 L341 V346 L389D330-V380 HydrophobicContact CB-CG2 4.36Å; A332-V380 HydrophobicContact CB-CB 4.15Å; A332-V380 HydrophobicContact CB-CG2 3.92Å; L339-V380 HydrophobicContact CB-CB 4.23Å; L339-V380 HydrophobicContact CB-CG1 4.34Å; L339-V380 HydrophobicContact CD1-CB 4.39Å; L341-V380 HydrophobicContact CB-CG1 3.87Å; L341-V380 HydrophobicContact CB-CG2 4.01Å; L341-V380 HydrophobicContact CD1-CG1 4.35Å; V346-V380 HydrophobicContact CG1-CG1 3.87Å; V346-V380 HydrophobicContact CG2-CG1 3.94Å; V380-L389 HydrophobicContact CB-CD2 4.3Å; V380-L389 HydrophobicContact CG1-CD2 3.6Å
381F96.7Very high93.3Very high24 Ų2422.9 Ų22.911%0.10514%0.135CC..EExtended strand (participates in β ladder)trans-140.2148.2173.1-46.6-86.6000109.9E43 I44 R379 S387 F388 L390E43-F381 HydrophobicContact CG-CE1 4.01Å; I44-F381 HydrophobicContact CB-CB 4.25Å; I44-F381 HydrophobicContact CB-CD1 4.18Å; I44-F381 HydrophobicContact CB-CD2 3.81Å; I44-F381 HydrophobicContact CB-CE2 4.14Å; I44-F381 HydrophobicContact CB-CG 3.82Å; I44-F381 HydrophobicContact CB-CZ 4.48Å; I44-F381 HydrophobicContact CD1-CD2 3.94Å; I44-F381 HydrophobicContact CD1-CE2 4.05Å; I44-F381 HydrophobicContact CG1-CD2 4Å; I44-F381 HydrophobicContact CG1-CE2 3.96Å; I44-F381 HydrophobicContact CG1-CG 4.5Å; I44-F381 HydrophobicContact CG1-CZ 4.44Å; I44-F381 WeakPolarHBondContact O-CD1 3.22Å; R379-F381 HydrophobicContact CB-CE2 3.81Å; R379-F381 HydrophobicContact CB-CZ 3.83Å; F381-S387 CarbonylContact O-C 3.54Å; F381-S387 WeakPolarHBondContact O-CA 3.45Å; F381-F388 HydrophobicContact CB-CB 4.27Å; F381-F388 HydrophobicContact CD2-CB 4.16Å; F381-F388 PolarHBondContact N-O 3.29Å; F381-F388 PolarHBondContact O-N 3.12Å; F381-L390 HydrophobicContact CE2-CD1 3.63Å; F381-L390 HydrophobicContact CE2-CG 4.19Å; F381-L390 HydrophobicContact CZ-CD1 3.95Å
382A97.1Very high92.7Very high17 Ų1722.6 Ų22.614%0.1413%0.128CC..EExtended strand (participates in β ladder)trans-142.3138.1-178.900000110.1A332 G334 L339A332-A382 HydrophobicContact CB-CB 3.99Å; G334-A382 VanDerWaalsContact N-CB 3.32Å; L339-A382 HydrophobicContact CD1-CB 4.42Å
383G94.4Very high91.4Very high6 Ų625 Ų256%0.06215%0.145CC..  trans-113.9-151.2175.500000112G334 R335 F386G334-G383 CarbonylContact C-O 3.29Å; G334-G383 WeakPolarHBondContact CA-O 3.46Å; R335-G383 PolarHBondContact N-O 3.27Å; R335-G383 VanDerWaalsContact N-O 3.17Å; G383-F386 PolarHBondContact N-O 3.1Å
384G94.3Very high89.7Confident7 Ų729 Ų297%0.07215%0.154CC..SBendtrans-52.5-75.2177.700000113.1G47 R335G47-G384 PolarHBondContact O-N 3.3Å; R335-G384 WeakPolarHBondContact CB-O 3.41Å; R335-G384 PolarHBondContact N-O 3.48Å
385E96Very high87.9Confident38 Ų3834 Ų3418%0.17818%0.176CC..SBendtrans-128.538.7177.9-63.7-175.1176.800111.3G10 N11 S354 Q356G10-E385 WeakPolarHBondContact CA-O 3.34Å; N11-E385 HydrophobicContact CB-CB 3.99Å; N11-E385 WeakPolarHBondContact CB-O 3.23Å; N11-E385 PolarHBondContact N-O 3.18Å; S354-E385 PolarHBondContact OG-OE2 3.24Å; Q356-E385 WeakPolarHBondContact CB-O 3.41Å
386F97.1Very high85.8Confident0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-152.4164.6179.859-82000111F9 Q16 L17 C46 T51 G383 F388F9-F386 CarbonylContact O-C 3.5Å; F9-F386 WeakPolarHBondContact O-CA 3.42Å; F9-F386 WeakPolarHBondContact O-CB 3.27Å; Q16-F386 HydrophobicContact CB-CE1 4.2Å; Q16-F386 HydrophobicContact CB-CE2 4.45Å; Q16-F386 HydrophobicContact CB-CZ 4.13Å; Q16-F386 HydrophobicContact CG-CD1 3.63Å; Q16-F386 HydrophobicContact CG-CD2 4.32Å; Q16-F386 HydrophobicContact CG-CE1 3.69Å; Q16-F386 HydrophobicContact CG-CE2 4.35Å; Q16-F386 HydrophobicContact CG-CG 3.97Å; Q16-F386 HydrophobicContact CG-CZ 4.06Å; L17-F386 HydrophobicContact CD2-CB 3.55Å; L17-F386 HydrophobicContact CD2-CD2 4.23Å; L17-F386 HydrophobicContact CD2-CG 4.15Å; C46-F386 HydrophobicContact CB-CE2 3.7Å; C46-F386 HydrophobicContact CB-CZ 3.91Å; T51-F386 VanDerWaalsContact OG1-CE2 3.27Å; T51-F386 WeakPolarHBondContact OG1-CE2 3.22Å; G383-F386 PolarHBondContact N-O 3.1Å; F386-F388 HydrophobicContact CD2-CD2 4.25Å; F386-F388 AromaticContact CD2-CE2 3.61Å; F386-F388 HydrophobicContact CD2-CE2 3.61Å; F386-F388 HydrophobicContact CD2-CZ 4.43Å; F386-F388 AromaticContact CE2-CE2 3.76Å; F386-F388 HydrophobicContact CE2-CE2 3.76Å
387S97.6Very high83.4Confident0 Ų036.2 Ų36.20%021%0.208CC..EExtended strand (participates in β ladder)trans-148.3153.1-171.8-640000110.9A8 F9 H337 Q356 F381A8-S387 WeakPolarHBondContact CA-O 3.48Å; F9-S387 PolarHBondContact N-O 3.34Å; F9-S387 PolarHBondContact O-N 3.19Å; H337-S387 PolarHBondContact NE2-OG 3.08Å; Q356-S387 WeakPolarHBondContact O-CB 3.49Å; Q356-S387 PolarHBondContact O-OG 3.29Å; F381-S387 CarbonylContact O-C 3.54Å; F381-S387 WeakPolarHBondContact O-CA 3.45Å
388F96.5Very high80.8Confident0 Ų040.2 Ų40.20%023%0.233CC..EExtended strand (participates in β ladder)trans-129.8148.3174.3-65-93.9000111.6V6 L7 A8 L32 I44 T51 F53 F381 F386V6-F388 HydrophobicContact CG1-CD1 3.95Å; L7-F388 CarbonylContact O-C 3.45Å; L7-F388 WeakPolarHBondContact O-CA 3.48Å; A8-F388 HydrophobicContact CB-CD1 3.53Å; A8-F388 HydrophobicContact CB-CE1 3.41Å; A8-F388 VanDerWaalsContact CB-CE1 3.41Å; A8-F388 HydrophobicContact CB-CG 4.47Å; A8-F388 HydrophobicContact CB-CZ 4.28Å; L32-F388 HydrophobicContact CD1-CE1 4.18Å; I44-F388 HydrophobicContact CD1-CB 3.73Å; I44-F388 HydrophobicContact CD1-CD1 4.06Å; I44-F388 HydrophobicContact CD1-CG 3.94Å; I44-F388 HydrophobicContact CG2-CD2 3.74Å; I44-F388 HydrophobicContact CG2-CE2 3.98Å; I44-F388 HydrophobicContact CG2-CG 4.06Å; T51-F388 HydrophobicContact CG2-CE2 3.74Å; T51-F388 HydrophobicContact CG2-CZ 3.86Å; F53-F388 HydrophobicContact CE1-CE1 4.21Å; F53-F388 HydrophobicContact CZ-CE1 4.11Å; F53-F388 HydrophobicContact CZ-CZ 4.14Å; F381-F388 HydrophobicContact CB-CB 4.27Å; F381-F388 HydrophobicContact CD2-CB 4.16Å; F381-F388 PolarHBondContact N-O 3.29Å; F381-F388 PolarHBondContact O-N 3.12Å; F386-F388 HydrophobicContact CD2-CD2 4.25Å; F386-F388 AromaticContact CD2-CE2 3.61Å; F386-F388 HydrophobicContact CD2-CE2 3.61Å; F386-F388 HydrophobicContact CD2-CZ 4.43Å; F386-F388 AromaticContact CE2-CE2 3.76Å; F386-F388 HydrophobicContact CE2-CE2 3.76Å
389L94.6Very high78Confident0 Ų043.9 Ų43.90%027%0.272CS..EExtended strand (participates in β ladder)trans-127.2136171.5-57.7176000109.5L7 F9 V346 V372 C374 R379 V380L7-L389 HydrophobicContact CB-CB 4.34Å; L7-L389 PolarHBondContact N-O 3.23Å; L7-L389 PolarHBondContact O-N 3.23Å; F9-L389 HydrophobicContact CE1-CD1 3.67Å; F9-L389 HydrophobicContact CE1-CG 3.68Å; F9-L389 HydrophobicContact CZ-CD1 3.97Å; F9-L389 HydrophobicContact CZ-CD2 4.46Å; F9-L389 HydrophobicContact CZ-CG 3.96Å; V346-L389 HydrophobicContact CG1-CD2 4.2Å; V346-L389 HydrophobicContact CG2-CD1 4.46Å; V346-L389 HydrophobicContact CG2-CD2 3.96Å; V372-L389 HydrophobicContact CG1-CD1 4.34Å; C374-L389 HydrophobicContact CB-CD1 4.09Å; R379-L389 WeakPolarHBondContact O-CA 3.49Å; V380-L389 HydrophobicContact CB-CD2 4.3Å; V380-L389 HydrophobicContact CG1-CD2 3.6Å
390L91.6Very high75.1Confident1 Ų147.1 Ų47.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-92.4130.6160.9-77.5157000107.9E4 V6 S378 R379 F381E4-L390 HydrophobicContact CB-CD2 3.82Å; V6-L390 HydrophobicContact CG2-CD2 3.68Å; S378-L390 PolarHBondContact N-O 2.87Å; S378-L390 WeakPolarHBondContact OG-CB 3.4Å; S378-L390 PolarHBondContact OG-O 3.12Å; R379-L390 HydrophobicContact CB-CB 4.06Å; R379-L390 HydrophobicContact CB-CD1 3.95Å; R379-L390 HydrophobicContact CG-CB 4.46Å; R379-L390 HydrophobicContact CG-CD1 4.1Å; R379-L390 PolarHBondContact N-O 3.02Å; R379-L390 PolarHBondContact O-N 3.35Å; F381-L390 HydrophobicContact CE2-CD1 3.63Å; F381-L390 HydrophobicContact CE2-CG 4.19Å; F381-L390 HydrophobicContact CZ-CD1 3.95Å
391C88.4Confident72.1Confident0 Ų051.3 Ų51.30%032%0.324CS..EExtended strand (participates in β ladder)trans-125.4141.3-180-69.30000111.3E4 E5 L7 K375 V376E4-C391 CarbonylContact C-O 3.24Å; E4-C391 VanDerWaalsContact CA-O 3.29Å; E4-C391 WeakPolarHBondContact CA-O 3.44Å; E5-C391 PolarHBondContact N-O 3.05Å; E5-C391 PolarHBondContact O-N 3.41Å; L7-C391 HydrophobicContact CD1-CB 4.44Å; L7-C391 VanDerWaalsContact CD1-SG 3.58Å; K375-C391 HydrophobicContact CB-CB 4.18Å; V376-C391 WeakPolarHBondContact O-CA 2.94Å
392L81.9Confident69Low38 Ų3853.9 Ų53.920%0.19935%0.349CS..EExtended strand (participates in β ladder)trans-74.2129.4176.2-65.1171000110.7S2 E4 V376S2-L392 WeakPolarHBondContact OG-CD2 3.23Å; E4-L392 HydrophobicContact CG-CD2 4.1Å; V376-L392 HydrophobicContact CG1-CD1 4.29Å; V376-L392 PolarHBondContact O-N 3.09Å
393S67.5Low66Low59 Ų5959.4 Ų59.441%0.41338%0.376SS..SBendtrans-71.3-28.2179.654.70000114.7A3A3-S393 WeakPolarHBondContact O-CB 3.48Å; A3-S393 PolarHBondContact O-N 3.05Å; A3-S393 PolarHBondContact O-OG 3.13Å
394K57.1Low63.5Low169 Ų16962 Ų6274%0.73539%0.389SS*.SBendtrans-149.3136.2177.4-73.6-175.7178.4177.30111.1S396K394-S396 PolarHBondContact O-N 3.13Å
395L51.4Low60.8Low149 Ų14967.8 Ų67.878%0.7841%0.408SS*.  trans-66.6108.8162.9-80.998.4000108.1V376 S397V376-L395 HydrophobicContact CG2-CD1 3.94Å; L395-S397 PolarHBondContact O-N 3.39Å
396S42.7Very low58.2Low85 Ų8570.7 Ų70.759%0.59443%0.433SS*.  trans-63.9124162.851.90000108.1K394 T398K394-S396 PolarHBondContact O-N 3.13Å; S396-T398 PolarHBondContact O-N 3.07Å
397S37.2Very low55.8Low129 Ų12973.2 Ų73.290%0.90245%0.446SS*.SBendtrans-66.77.1179.150.90000114.5L395 G399L395-S397 PolarHBondContact O-N 3.39Å; S397-G399 PolarHBondContact O-N 3.01Å
398T34.7Very low53.5Low90 Ų9080.7 Ų80.755%0.55249%0.486SS*.SBendtrans-82.5115.2168.449.60000108S396 S400S396-T398 PolarHBondContact O-N 3.07Å; T398-S400 PolarHBondContact O-N 2.88Å
399G33.2Very low51.9Low84 Ų8484 Ų8487%0.86650%0.498SS*.  trans-61.622.1174.900000115.3S397 T401S397-G399 PolarHBondContact O-N 3.01Å; G399-T401 VanDerWaalsContact C-N 3.31Å; G399-T401 PolarHBondContact O-N 3.38Å
400S31.7Very low50.9Low89 Ų8988.1 Ų88.162%0.62251%0.514SS*.  trans-56.8101.9155.1165.60000106T398 A402T398-S400 PolarHBondContact O-N 2.88Å; S400-A402 PolarHBondContact O-N 3.31Å
401T31.9Very low50.4Low93 Ų9391.1 Ų91.157%0.57153%0.534SS*.  trans-34118156.944.70000106.4G399 N403G399-T401 VanDerWaalsContact C-N 3.31Å; G399-T401 PolarHBondContact O-N 3.38Å; T401-N403 PolarHBondContact O-N 3.29Å; T401-N403 PolarHBondContact OG1-OD1 3.05Å
402A32.7Very low50.3Low78 Ų7891.5 Ų91.565%0.64554%0.536SS*.  trans-58.690.3166.600000103.6S400 L404S400-A402 PolarHBondContact O-N 3.31Å; A402-L404 PolarHBondContact O-N 3.39Å
403N33.2Very low50.6Low132 Ų13291.5 Ų91.571%0.70654%0.538SS*.  trans-61.693.1166.8-80.4-9.4000100.4T401 R405T401-N403 PolarHBondContact O-N 3.29Å; T401-N403 PolarHBondContact OG1-OD1 3.05Å; N403-R405 VanDerWaalsContact C-N 3.31Å; N403-R405 PolarHBondContact O-N 3.46Å
404L41.8Very low51.7Low62 Ų6291.1 Ų91.133%0.32553%0.533SS..  trans-41.6109171.8-147.993000102.4L329 L341 S378 A402 S406L329-L404 HydrophobicContact CB-CD2 4.35Å; L329-L404 HydrophobicContact CD1-CD1 4.34Å; L341-L404 HydrophobicContact CD2-CD1 4.38Å; L341-L404 HydrophobicContact CD2-CD2 4.16Å; S378-L404 WeakPolarHBondContact O-CD1 3.33Å; A402-L404 PolarHBondContact O-N 3.39Å; L404-S406 VanDerWaalsContact C-N 3.33Å; L404-S406 PolarHBondContact O-N 2.9Å
405R37.4Very low53.4Low128 Ų12883.3 Ų83.348%0.48350%0.499SS..  trans-45.9108.2-173-77.1179177.4-179.3-2.1104.1D56 N403 L407D56-R405 IonicContact OD1-NH1 3.6Å; D56-R405 IonicContact OD2-NH1 3.96Å; N403-R405 VanDerWaalsContact C-N 3.31Å; N403-R405 PolarHBondContact O-N 3.46Å; R405-L407 PolarHBondContact O-N 3.07Å
406S42.8Very low55.3Low99 Ų9979.7 Ų79.769%0.69248%0.481SS*.  trans-53.4118.8179.553.20000102.7L404 D408L404-S406 VanDerWaalsContact C-N 3.33Å; L404-S406 PolarHBondContact O-N 2.9Å; S406-D408 VanDerWaalsContact C-N 3.32Å; S406-D408 PolarHBondContact O-N 3.43Å
407L46.1Very low57.8Low52 Ų5276.9 Ų76.927%0.27246%0.459SS..  trans-51.7113.7175.8-91.598.2000104.2R405 R409R405-L407 PolarHBondContact O-N 3.07Å; L407-R409 HydrophobicContact CB-CG 4.4Å; L407-R409 PolarHBondContact O-N 3.48Å
408D50Low60.5Low157 Ų15778.4 Ų78.484%0.8445%0.449SS*.  trans-73.178.4-173.8-158.714.3000104.9S406 R410S406-D408 VanDerWaalsContact C-N 3.32Å; S406-D408 PolarHBondContact O-N 3.43Å; D408-R410 PolarHBondContact O-N 3.12Å
409R62.4Low63.2Low70 Ų7078.4 Ų78.426%0.26444%0.442SS..  trans-68.4118.3-175.2-75.5179.9179.7-174-3104.7V277 R278 L407 C411V277-R409 PolarHBondContact O-NH1 3.26Å; R278-R409 VanDerWaalsContact CD-NH2 3.35Å; R278-R409 VanDerWaalsContact CZ-NH2 3.31Å; L407-R409 HydrophobicContact CB-CG 4.4Å; L407-R409 PolarHBondContact O-N 3.48Å; R409-C411 PolarHBondContact O-N 2.89Å; R409-C411 PolarHBondContact O-SG 3.29Å
410R74.2Confident66.1Low86 Ų8674.4 Ų74.433%0.32540%0.4SS..  trans-55.5111.2167.5-77.2-177.2170.9-142.5-8.9107.5T105 D106 V147 Q148 D408T105-R410 PolarHBondContact O-NH1 3.01Å; D106-R410 PolarHBondContact O-NH1 3.37Å; D106-R410 PolarHBondContact O-NH2 3.39Å; D106-R410 IonicContact OD1-CZ 3.36Å; D106-R410 IonicContact OD1-NH2 3.51Å; D106-R410 PolarHBondContact OD1-NH2 2.93Å; V147-R410 HydrophobicContact CB-CB 4.12Å; V147-R410 HydrophobicContact CG1-CB 4.49Å; V147-R410 WeakPolarHBondContact O-CB 3.15Å; Q148-R410 VanDerWaalsContact CG-O 3.31Å; Q148-R410 WeakPolarHBondContact CG-O 3.36Å; Q148-R410 PolarHBondContact NE2-O 3.23Å; D408-R410 PolarHBondContact O-N 3.12Å
411C80.5Confident69.2Low65 Ų6574.1 Ų74.144%0.43939%0.389SS..PPolyproline II helixtrans-103.9163.9179.8-67.80000108.9R409R409-C411 PolarHBondContact O-N 2.89Å; R409-C411 PolarHBondContact O-SG 3.29Å
412I86.4Confident72.1Confident8 Ų876.4 Ų76.44%0.04139%0.391CS..PPolyproline II helixtrans-55.2148167.961.5173.8000110.4V147 L159 P208 T414 N443V147-I412 HydrophobicContact CG2-CG2 4.39Å; L159-I412 HydrophobicContact CD2-CG2 4.11Å; L159-I412 HydrophobicContact CG-CG2 4.32Å; P208-I412 HydrophobicContact CB-CD1 3.7Å; I412-T414 HydrophobicContact CG1-CG2 4.37Å; I412-N443 HydrophobicContact CD1-CB 4.28Å
413V87.2Confident75Confident38 Ų3873.2 Ų73.223%0.2336%0.363CS..PPolyproline II helixtrans-71.8133.2-179.8-176.90000108.8A161 Y434 V437 V438 C444A161-V413 HydrophobicContact CB-CG2 4.39Å; V413-Y434 HydrophobicContact CG1-CD2 3.74Å; V413-Y434 HydrophobicContact CG1-CE2 3.47Å; V413-Y434 VanDerWaalsContact CG1-CE2 3.47Å; V413-V437 HydrophobicContact CB-CG1 3.78Å; V413-V437 HydrophobicContact CG1-CG1 3.9Å; V413-V437 HydrophobicContact CG2-CG1 3.92Å; V413-V438 HydrophobicContact CG1-CG2 3.82Å; V413-C444 VanDerWaalsContact O-CA 3.29Å; V413-C444 WeakPolarHBondContact O-CA 3.02Å; V413-C444 WeakPolarHBondContact O-CB 2.92Å; V413-C444 PolarHBondContact O-SG 3.48Å
414T90.5Very high77.8Confident51 Ų5168 Ų6831%0.31334%0.339SS..  trans-132.5151.2-177.343.30000109I412 D416 Y434 G447I412-T414 HydrophobicContact CG1-CG2 4.37Å; T414-D416 PolarHBondContact O-N 2.97Å; T414-Y434 PolarHBondContact O-OH 3.5Å; T414-G447 VanDerWaalsContact CG2-C 3.43Å; T414-G447 WeakPolarHBondContact CG2-O 3.1Å
415F93.4Very high80.2Confident4 Ų473.2 Ų73.22%0.01836%0.361CS..  trans-65.7130170.4-75.2-46.6000110.3L420 Y434 V435 V438 M439 L445 S448 F449 L478F415-L420 HydrophobicContact CD1-CD1 4.01Å; F415-L420 HydrophobicContact CD1-CD2 4.14Å; F415-L420 HydrophobicContact CD1-CG 4.39Å; F415-L420 HydrophobicContact CE1-CD2 4.25Å; F415-L420 HydrophobicContact CG-CD1 4.47Å; F415-Y434 WeakPolarHBondContact CA-OH 3.48Å; F415-Y434 HydrophobicContact CD1-CE1 4.32Å; F415-V435 HydrophobicContact CE1-CB 4.42Å; F415-V435 HydrophobicContact CE1-CG2 3.98Å; F415-V435 HydrophobicContact CZ-CG1 4.35Å; F415-V435 HydrophobicContact CZ-CG2 4.49Å; F415-V438 HydrophobicContact CD1-CB 4.11Å; F415-V438 HydrophobicContact CD1-CG1 4.04Å; F415-V438 HydrophobicContact CD1-CG2 4.02Å; F415-V438 HydrophobicContact CD2-CB 4.42Å; F415-V438 HydrophobicContact CD2-CG1 3.56Å; F415-V438 HydrophobicContact CE1-CB 3.75Å; F415-V438 HydrophobicContact CE1-CG1 3.95Å; F415-V438 HydrophobicContact CE1-CG2 4.03Å; F415-V438 HydrophobicContact CE2-CB 4.1Å; F415-V438 HydrophobicContact CE2-CG1 3.48Å; F415-V438 VanDerWaalsContact CE2-CG1 3.48Å; F415-V438 HydrophobicContact CG-CB 4.43Å; F415-V438 HydrophobicContact CG-CG1 3.85Å; F415-V438 HydrophobicContact CG-CG2 4.47Å; F415-V438 HydrophobicContact CZ-CB 3.75Å; F415-V438 HydrophobicContact CZ-CG1 3.68Å; F415-M439 HydrophobicContact CE2-CG 4.39Å; F415-M439 HydrophobicContact CE2-SD 3.86Å; F415-M439 HydrophobicContact CZ-CG 3.93Å; F415-M439 HydrophobicContact CZ-SD 3.99Å; F415-L445 HydrophobicContact CD2-CD1 4.26Å; F415-L445 HydrophobicContact CE2-CD1 4.13Å; F415-S448 PolarHBondContact N-OG 3.15Å; F415-F449 HydrophobicContact CB-CE1 4.28Å; F415-F449 HydrophobicContact CB-CZ 4.42Å; F415-F449 HydrophobicContact CD2-CZ 4.02Å; F415-L478 HydrophobicContact CE1-CD1 4.34Å; F415-L478 HydrophobicContact CE2-CD1 4.17Å; F415-L478 HydrophobicContact CZ-CD1 3.93Å
416D91.5Very high82.8Confident74 Ų7471.4 Ų71.440%0.39637%0.365SS..  trans-127.6123.3166.7165.442.2000107.2T414 K418 K419 L420 Y434T414-D416 PolarHBondContact O-N 2.97Å; D416-K418 VanDerWaalsContact C-N 3.26Å; D416-K418 PolarHBondContact O-N 2.87Å; D416-K418 PolarHBondContact OD1-N 2.96Å; D416-K419 HydrophobicContact CB-CB 3.97Å; D416-K419 PolarHBondContact O-N 2.9Å; D416-K419 VanDerWaalsContact O-N 3.16Å; D416-K419 WeakPolarHBondContact OD2-CB 3.21Å; D416-K419 PolarHBondContact OD2-N 2.82Å; D416-L420 WeakPolarHBondContact O-CG 3.03Å; D416-L420 PolarHBondContact O-N 3.44Å; D416-Y434 PolarHBondContact N-OH 3.35Å
417L94.4Very high85.2Confident26 Ų2669.5 Ų69.514%0.13635%0.346CS..Hα-helixtrans-58.5-40.9-176.6178.759.4000111.4K419 L420 E421 K473 F477L417-K419 VanDerWaalsContact C-N 3.33Å; L417-K419 PolarHBondContact O-N 2.71Å; L417-L420 WeakPolarHBondContact O-CB 3.3Å; L417-L420 PolarHBondContact O-N 2.76Å; L417-E421 HydrophobicContact CD1-CG 4.19Å; L417-E421 HydrophobicContact CG-CG 4.44Å; L417-E421 WeakPolarHBondContact O-CG 3.35Å; L417-E421 PolarHBondContact O-N 2.79Å; L417-K473 HydrophobicContact CD2-CB 3.96Å; L417-K473 HydrophobicContact CD2-CD 4.47Å; L417-F477 HydrophobicContact CD1-CB 3.98Å; L417-F477 HydrophobicContact CD1-CG 4.17Å
418K93.9Very high87.1Confident160 Ų16070.7 Ų70.770%0.69636%0.357SS*.Hα-helixtrans-65.1-39.6179.8-66.1176.2-177.7170.50111.5D416 K422D416-K418 VanDerWaalsContact C-N 3.26Å; D416-K418 PolarHBondContact O-N 2.87Å; D416-K418 PolarHBondContact OD1-N 2.96Å; K418-K422 VanDerWaalsContact O-CB 3.32Å; K418-K422 WeakPolarHBondContact O-CB 3.17Å; K418-K422 PolarHBondContact O-N 3.49Å
419K92.7Very high88.9Confident91 Ų9167.2 Ų67.240%0.39635%0.345SS..Hα-helixtrans-65.4-40.6174.3-174171.8176.4-176.80111.9D416 L417 L423 Y434D416-K419 HydrophobicContact CB-CB 3.97Å; D416-K419 PolarHBondContact O-N 2.9Å; D416-K419 VanDerWaalsContact O-N 3.16Å; D416-K419 WeakPolarHBondContact OD2-CB 3.21Å; D416-K419 PolarHBondContact OD2-N 2.82Å; L417-K419 VanDerWaalsContact C-N 3.33Å; L417-K419 PolarHBondContact O-N 2.71Å; K419-L423 HydrophobicContact CG-CD1 3.99Å; K419-L423 HydrophobicContact CG-CG 4.42Å; K419-L423 WeakPolarHBondContact O-CB 3.49Å; K419-L423 VanDerWaalsContact O-CG 3.3Å; K419-L423 WeakPolarHBondContact O-CG 3.32Å; K419-L423 PolarHBondContact O-N 2.96Å; K419-Y434 HydrophobicContact CB-CE1 4.41Å; K419-Y434 HydrophobicContact CD-CE1 4.1Å; K419-Y434 HydrophobicContact CD-CE2 4.1Å; K419-Y434 HydrophobicContact CG-CE1 4.03Å
420L93.9Very high90.2Very high0 Ų068.5 Ų68.50%035%0.354CS..Hα-helixtrans-62-49.3175.2-72.4171.8000111.9F415 D416 L417 K422 L423 A424 L431 Y434 V435 C474 F477 L478F415-L420 HydrophobicContact CD1-CD1 4.01Å; F415-L420 HydrophobicContact CD1-CD2 4.14Å; F415-L420 HydrophobicContact CD1-CG 4.39Å; F415-L420 HydrophobicContact CE1-CD2 4.25Å; F415-L420 HydrophobicContact CG-CD1 4.47Å; D416-L420 WeakPolarHBondContact O-CG 3.03Å; D416-L420 PolarHBondContact O-N 3.44Å; L417-L420 WeakPolarHBondContact O-CB 3.3Å; L417-L420 PolarHBondContact O-N 2.76Å; L420-K422 PolarHBondContact O-N 2.88Å; L420-L423 PolarHBondContact O-N 3.12Å; L420-A424 WeakPolarHBondContact O-CB 2.86Å; L420-A424 PolarHBondContact O-N 3.27Å; L420-L431 HydrophobicContact CD2-CD1 3.57Å; L420-Y434 HydrophobicContact CD2-CD1 3.63Å; L420-Y434 HydrophobicContact CD2-CE1 3.48Å; L420-Y434 VanDerWaalsContact CD2-CE1 3.48Å; L420-Y434 HydrophobicContact CG-CD1 4.45Å; L420-Y434 HydrophobicContact CG-CE1 3.85Å; L420-V435 HydrophobicContact CD2-CG2 3.96Å; L420-C474 WeakPolarHBondContact CD1-SG 3.39Å; L420-F477 HydrophobicContact CB-CD1 4.05Å; L420-F477 HydrophobicContact CB-CE1 3.84Å; L420-L478 HydrophobicContact CD1-CD2 4.25Å; L420-L478 HydrophobicContact CD1-CG 4.29Å; L420-L478 HydrophobicContact CD2-CD2 4.07Å
421E95.5Very high91.1Very high82 Ų8264.6 Ų64.638%0.38334%0.34SS..Hα-helixtrans-57.6-49.1177.6-72.7170.7165.800110.9L417 L423 A424 E425 F477L417-E421 HydrophobicContact CD1-CG 4.19Å; L417-E421 HydrophobicContact CG-CG 4.44Å; L417-E421 WeakPolarHBondContact O-CG 3.35Å; L417-E421 PolarHBondContact O-N 2.79Å; E421-L423 PolarHBondContact O-N 3.08Å; E421-A424 PolarHBondContact O-N 3.17Å; E421-E425 PolarHBondContact O-N 3.28Å; E421-F477 HydrophobicContact CB-CZ 4.46Å; E421-F477 HydrophobicContact CG-CD2 4.19Å; E421-F477 HydrophobicContact CG-CE2 3.84Å; E421-F477 HydrophobicContact CG-CZ 4.08Å
422K94.5Very high91.6Very high142 Ų14261.9 Ų61.962%0.61732%0.321SS*.Hα-helixtrans-59.9-47.5177.6-175.1-178.3178.1-1740112.3K418 L420 A424 E425 T426K418-K422 VanDerWaalsContact O-CB 3.32Å; K418-K422 WeakPolarHBondContact O-CB 3.17Å; K418-K422 PolarHBondContact O-N 3.49Å; L420-K422 PolarHBondContact O-N 2.88Å; K422-A424 VanDerWaalsContact C-N 3.33Å; K422-A424 PolarHBondContact O-N 3.19Å; K422-E425 PolarHBondContact O-N 2.81Å; K422-T426 HydrophobicContact CG-CG2 4.33Å; K422-T426 WeakPolarHBondContact O-CG2 3.48Å; K422-T426 PolarHBondContact O-N 2.81Å; K422-T426 PolarHBondContact O-OG1 2.69Å
423L93.2Very high91.7Very high11 Ų1164.5 Ų64.56%0.05833%0.333CS..Hα-helixtrans-67.2-33.3-178.8-74.8174.4000112.5K419 L420 E421 E425 T426 N427 E430 L431 Y434K419-L423 HydrophobicContact CG-CD1 3.99Å; K419-L423 HydrophobicContact CG-CG 4.42Å; K419-L423 WeakPolarHBondContact O-CB 3.49Å; K419-L423 VanDerWaalsContact O-CG 3.3Å; K419-L423 WeakPolarHBondContact O-CG 3.32Å; K419-L423 PolarHBondContact O-N 2.96Å; L420-L423 PolarHBondContact O-N 3.12Å; E421-L423 PolarHBondContact O-N 3.08Å; L423-E425 VanDerWaalsContact C-N 3.29Å; L423-E425 PolarHBondContact O-N 3.03Å; L423-T426 PolarHBondContact O-N 2.89Å; L423-N427 CarbonylContact O-C 3.52Å; L423-N427 WeakPolarHBondContact O-CA 3.28Å; L423-N427 PolarHBondContact O-N 3.31Å; L423-E430 HydrophobicContact CD2-CB 4.19Å; L423-E430 HydrophobicContact CD2-CG 3.78Å; L423-L431 HydrophobicContact CB-CB 3.99Å; L423-L431 HydrophobicContact CB-CD1 4.06Å; L423-Y434 HydrophobicContact CD1-CD1 3.69Å; L423-Y434 HydrophobicContact CD1-CE1 4.38Å; L423-Y434 HydrophobicContact CD1-CG 4.02Å
424A91.9Very high91.8Very high23 Ų2363.3 Ų63.319%0.1933%0.325CS..Hα-helixtrans-63.1-37174.700000112.3L420 E421 K422 L431 F477L420-A424 WeakPolarHBondContact O-CB 2.86Å; L420-A424 PolarHBondContact O-N 3.27Å; E421-A424 PolarHBondContact O-N 3.17Å; K422-A424 VanDerWaalsContact C-N 3.33Å; K422-A424 PolarHBondContact O-N 3.19Å; A424-L431 HydrophobicContact CB-CD2 3.92Å; A424-F477 HydrophobicContact CB-CE1 4.27Å; A424-F477 HydrophobicContact CB-CZ 3.71Å
425E91.5Very high91.9Very high170 Ų17060.9 Ų60.979%0.79431%0.31SS*.Hα-helixtrans-76.6-42.1176.2-67.2178.1179.200112.6E421 K422 L423E421-E425 PolarHBondContact O-N 3.28Å; K422-E425 PolarHBondContact O-N 2.81Å; L423-E425 VanDerWaalsContact C-N 3.29Å; L423-E425 PolarHBondContact O-N 3.03Å
426T93.2Very high91.8Very high91 Ų9165.7 Ų65.756%0.55833%0.328SS*.Hα-helixtrans-90.3-41.4-170.560.70000114.1K422 L423K422-T426 HydrophobicContact CG-CG2 4.33Å; K422-T426 WeakPolarHBondContact O-CG2 3.48Å; K422-T426 PolarHBondContact O-N 2.81Å; K422-T426 PolarHBondContact O-OG1 2.69Å; L423-T426 PolarHBondContact O-N 2.89Å
427N91.3Very high91.5Very high58 Ų5863.1 Ų63.131%0.3132%0.315SS..  trans-15787.5-168.2-164.63.2000113.4L423 S429 E430 L431L423-N427 CarbonylContact O-C 3.52Å; L423-N427 WeakPolarHBondContact O-CA 3.28Å; L423-N427 PolarHBondContact O-N 3.31Å; N427-S429 VanDerWaalsContact C-N 3.28Å; N427-S429 PolarHBondContact O-N 3.24Å; N427-S429 PolarHBondContact OD1-OG 3.09Å; N427-E430 HydrophobicContact CB-CB 4Å; N427-E430 WeakPolarHBondContact ND2-CB 3.33Å; N427-E430 PolarHBondContact ND2-OE2 3.49Å; N427-E430 PolarHBondContact O-N 2.94Å; N427-L431 PolarHBondContact O-N 3Å
428P87.8Confident91.3Very high77 Ų7761.9 Ų61.950%0.531%0.308SS..Hα-helixtrans-61.6-27.1-176.3-26.235000115.6L431 T432P428-L431 WeakPolarHBondContact O-CB 3.49Å; P428-T432 PolarHBondContact O-N 3.36Å; P428-T432 VanDerWaalsContact O-N 3.1Å; P428-T432 PolarHBondContact O-OG1 3.34Å
429S87.5Confident91.1Very high84 Ų8454.3 Ų54.359%0.58728%0.275SS*.Hα-helixtrans-71.5-41.3177.262.10000111.3N427 L431 T432 E433N427-S429 VanDerWaalsContact C-N 3.28Å; N427-S429 PolarHBondContact O-N 3.24Å; N427-S429 PolarHBondContact OD1-OG 3.09Å; S429-L431 VanDerWaalsContact C-N 3.34Å; S429-T432 PolarHBondContact O-N 3.43Å; S429-E433 PolarHBondContact O-N 3.49Å
430E89.4Confident90.7Very high97 Ų9750.3 Ų50.345%0.45326%0.259SS..Hα-helixtrans-68.2-34.2174.5-172.6179.3174.700111.7L423 N427 T432 E433 Y434L423-E430 HydrophobicContact CD2-CB 4.19Å; L423-E430 HydrophobicContact CD2-CG 3.78Å; N427-E430 HydrophobicContact CB-CB 4Å; N427-E430 WeakPolarHBondContact ND2-CB 3.33Å; N427-E430 PolarHBondContact ND2-OE2 3.49Å; N427-E430 PolarHBondContact O-N 2.94Å; E430-T432 VanDerWaalsContact C-N 3.34Å; E430-T432 PolarHBondContact O-N 2.96Å; E430-E433 PolarHBondContact O-N 3.24Å; E430-Y434 VanDerWaalsContact O-CB 3.27Å; E430-Y434 WeakPolarHBondContact O-CB 3.36Å; E430-Y434 PolarHBondContact O-N 2.9Å
431L92.2Very high90.3Very high5 Ų550.4 Ų50.43%0.02626%0.26CS..Hα-helixtrans-57.2-47.6168.5176.667.8000111.3L420 L423 A424 N427 P428 S429 E433 Y434 V435 L488L420-L431 HydrophobicContact CD2-CD1 3.57Å; L423-L431 HydrophobicContact CB-CB 3.99Å; L423-L431 HydrophobicContact CB-CD1 4.06Å; A424-L431 HydrophobicContact CB-CD2 3.92Å; N427-L431 PolarHBondContact O-N 3Å; P428-L431 WeakPolarHBondContact O-CB 3.49Å; S429-L431 VanDerWaalsContact C-N 3.34Å; L431-E433 PolarHBondContact O-N 3.37Å; L431-Y434 PolarHBondContact O-N 3.04Å; L431-V435 HydrophobicContact CD1-CG2 4.31Å; L431-V435 WeakPolarHBondContact O-CG2 3.46Å; L431-V435 PolarHBondContact O-N 3.17Å; L431-L488 HydrophobicContact CD2-CD2 4.31Å
432T91.7Very high90Very high7 Ų746.8 Ų46.84%0.04324%0.243CC..Hα-helixtrans-64.5-40.5-178.4-56.80000111.7P428 S429 E430 R436 E487 L488P428-T432 PolarHBondContact O-N 3.36Å; P428-T432 VanDerWaalsContact O-N 3.1Å; P428-T432 PolarHBondContact O-OG1 3.34Å; S429-T432 PolarHBondContact O-N 3.43Å; E430-T432 VanDerWaalsContact C-N 3.34Å; E430-T432 PolarHBondContact O-N 2.96Å; T432-R436 VanDerWaalsContact O-CB 3.3Å; T432-R436 WeakPolarHBondContact O-CB 3.17Å; T432-R436 PolarHBondContact O-N 3.49Å; T432-E487 HydrophobicContact CG2-CG 4.21Å; T432-L488 HydrophobicContact CG2-CD1 4.29Å
433E88.7Confident89.7Confident63 Ų6340.1 Ų40.129%0.29421%0.214SC..Hα-helixtrans-65-43.9173.2170.362.2152.100112S429 E430 L431 V435 R436 V437S429-E433 PolarHBondContact O-N 3.49Å; E430-E433 PolarHBondContact O-N 3.24Å; L431-E433 PolarHBondContact O-N 3.37Å; E433-V435 VanDerWaalsContact C-N 3.34Å; E433-V435 PolarHBondContact O-N 2.87Å; E433-R436 VanDerWaalsContact CD-NH2 3.27Å; E433-R436 WeakPolarHBondContact O-CB 3.23Å; E433-R436 PolarHBondContact O-N 2.79Å; E433-R436 IonicContact OE1-NH2 3.43Å; E433-R436 IonicContact OE2-CZ 2.62Å; E433-R436 IonicContact OE2-NE 2.9Å; E433-R436 PolarHBondContact OE2-NE 3.25Å; E433-R436 IonicContact OE2-NH2 3.68Å; E433-R436 PolarHBondContact OE2-NH2 3.29Å; E433-V437 HydrophobicContact CG-CG2 4.48Å; E433-V437 VanDerWaalsContact O-CG2 3.31Å; E433-V437 WeakPolarHBondContact O-CG2 3.32Å; E433-V437 PolarHBondContact O-N 2.78Å
434Y89.8Confident89.6Confident14 Ų1439.6 Ų39.66%0.05521%0.211CC..Hα-helixtrans-60.9-43177.9174-127.9000112.1V413 T414 F415 D416 K419 L420 L423 E430 L431 V438V413-Y434 HydrophobicContact CG1-CD2 3.74Å; V413-Y434 HydrophobicContact CG1-CE2 3.47Å; V413-Y434 VanDerWaalsContact CG1-CE2 3.47Å; T414-Y434 PolarHBondContact O-OH 3.5Å; F415-Y434 WeakPolarHBondContact CA-OH 3.48Å; F415-Y434 HydrophobicContact CD1-CE1 4.32Å; D416-Y434 PolarHBondContact N-OH 3.35Å; K419-Y434 HydrophobicContact CB-CE1 4.41Å; K419-Y434 HydrophobicContact CD-CE1 4.1Å; K419-Y434 HydrophobicContact CD-CE2 4.1Å; K419-Y434 HydrophobicContact CG-CE1 4.03Å; L420-Y434 HydrophobicContact CD2-CD1 3.63Å; L420-Y434 HydrophobicContact CD2-CE1 3.48Å; L420-Y434 VanDerWaalsContact CD2-CE1 3.48Å; L420-Y434 HydrophobicContact CG-CD1 4.45Å; L420-Y434 HydrophobicContact CG-CE1 3.85Å; L423-Y434 HydrophobicContact CD1-CD1 3.69Å; L423-Y434 HydrophobicContact CD1-CE1 4.38Å; L423-Y434 HydrophobicContact CD1-CG 4.02Å; E430-Y434 VanDerWaalsContact O-CB 3.27Å; E430-Y434 WeakPolarHBondContact O-CB 3.36Å; E430-Y434 PolarHBondContact O-N 2.9Å; L431-Y434 PolarHBondContact O-N 3.04Å; Y434-V438 HydrophobicContact CD2-CG2 4.48Å; Y434-V438 HydrophobicContact CE2-CG2 4.19Å; Y434-V438 PolarHBondContact O-N 3.2Å
435V92.7Very high89.6Confident0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-65.7-40.5174.31720000111.4F415 L420 L431 E433 V437 V438 M439 L478 L488 T491 V492F415-V435 HydrophobicContact CE1-CB 4.42Å; F415-V435 HydrophobicContact CE1-CG2 3.98Å; F415-V435 HydrophobicContact CZ-CG1 4.35Å; F415-V435 HydrophobicContact CZ-CG2 4.49Å; L420-V435 HydrophobicContact CD2-CG2 3.96Å; L431-V435 HydrophobicContact CD1-CG2 4.31Å; L431-V435 WeakPolarHBondContact O-CG2 3.46Å; L431-V435 PolarHBondContact O-N 3.17Å; E433-V435 VanDerWaalsContact C-N 3.34Å; E433-V435 PolarHBondContact O-N 2.87Å; V435-V437 PolarHBondContact O-N 3.43Å; V435-V438 PolarHBondContact O-N 2.79Å; V435-M439 HydrophobicContact CG1-CG 3.93Å; V435-M439 VanDerWaalsContact O-CB 3.27Å; V435-M439 WeakPolarHBondContact O-CB 3.45Å; V435-M439 VanDerWaalsContact O-CG 3.24Å; V435-M439 WeakPolarHBondContact O-CG 3.38Å; V435-M439 PolarHBondContact O-N 3.1Å; V435-L478 HydrophobicContact CG2-CD2 3.68Å; V435-L488 HydrophobicContact CB-CD1 3.84Å; V435-L488 HydrophobicContact CG1-CD1 3.95Å; V435-L488 HydrophobicContact CG2-CD1 3.95Å; V435-T491 HydrophobicContact CG1-CG2 4.36Å; V435-V492 HydrophobicContact CG1-CG2 3.7Å
436R90.1Very high89.7Confident105 Ų10530.4 Ų30.440%0.39616%0.164SC..Hα-helixtrans-57.2-49.4176-178.9166.254-146.72.2111.8T432 E433 V438 M439 S440 T491T432-R436 VanDerWaalsContact O-CB 3.3Å; T432-R436 WeakPolarHBondContact O-CB 3.17Å; T432-R436 PolarHBondContact O-N 3.49Å; E433-R436 VanDerWaalsContact CD-NH2 3.27Å; E433-R436 WeakPolarHBondContact O-CB 3.23Å; E433-R436 PolarHBondContact O-N 2.79Å; E433-R436 IonicContact OE1-NH2 3.43Å; E433-R436 IonicContact OE2-CZ 2.62Å; E433-R436 IonicContact OE2-NE 2.9Å; E433-R436 PolarHBondContact OE2-NE 3.25Å; E433-R436 IonicContact OE2-NH2 3.68Å; E433-R436 PolarHBondContact OE2-NH2 3.29Å; R436-V438 PolarHBondContact O-N 2.82Å; R436-M439 PolarHBondContact O-N 2.97Å; R436-S440 WeakPolarHBondContact O-CB 3.48Å; R436-S440 PolarHBondContact O-N 3.33Å; R436-S440 PolarHBondContact O-OG 3.32Å; R436-T491 HydrophobicContact CB-CG2 3.49Å; R436-T491 VanDerWaalsContact CB-CG2 3.49Å; R436-T491 HydrophobicContact CG-CG2 4.09Å
437V85.5Confident89.6Confident19 Ų1926.4 Ų26.412%0.11514%0.141CC..Hα-helixtrans-58.8-43.2179.81650000112.1S162 V413 E433 V435 S440S162-V437 WeakPolarHBondContact CB-O 3.45Å; V413-V437 HydrophobicContact CB-CG1 3.78Å; V413-V437 HydrophobicContact CG1-CG1 3.9Å; V413-V437 HydrophobicContact CG2-CG1 3.92Å; E433-V437 HydrophobicContact CG-CG2 4.48Å; E433-V437 VanDerWaalsContact O-CG2 3.31Å; E433-V437 WeakPolarHBondContact O-CG2 3.32Å; E433-V437 PolarHBondContact O-N 2.78Å; V435-V437 PolarHBondContact O-N 3.43Å; V437-S440 PolarHBondContact O-OG 2.85Å
438V89.7Confident89.8Confident0 Ų024.1 Ų24.10%013%0.13CC..Hα-helixtrans-75-41.9179.9179.20000111.5V413 F415 Y434 V435 R436 S440 N441 C444V413-V438 HydrophobicContact CG1-CG2 3.82Å; F415-V438 HydrophobicContact CD1-CB 4.11Å; F415-V438 HydrophobicContact CD1-CG1 4.04Å; F415-V438 HydrophobicContact CD1-CG2 4.02Å; F415-V438 HydrophobicContact CD2-CB 4.42Å; F415-V438 HydrophobicContact CD2-CG1 3.56Å; F415-V438 HydrophobicContact CE1-CB 3.75Å; F415-V438 HydrophobicContact CE1-CG1 3.95Å; F415-V438 HydrophobicContact CE1-CG2 4.03Å; F415-V438 HydrophobicContact CE2-CB 4.1Å; F415-V438 HydrophobicContact CE2-CG1 3.48Å; F415-V438 VanDerWaalsContact CE2-CG1 3.48Å; F415-V438 HydrophobicContact CG-CB 4.43Å; F415-V438 HydrophobicContact CG-CG1 3.85Å; F415-V438 HydrophobicContact CG-CG2 4.47Å; F415-V438 HydrophobicContact CZ-CB 3.75Å; F415-V438 HydrophobicContact CZ-CG1 3.68Å; Y434-V438 HydrophobicContact CD2-CG2 4.48Å; Y434-V438 HydrophobicContact CE2-CG2 4.19Å; Y434-V438 PolarHBondContact O-N 3.2Å; V435-V438 PolarHBondContact O-N 2.79Å; R436-V438 PolarHBondContact O-N 2.82Å; V438-S440 VanDerWaalsContact C-N 3.28Å; V438-S440 PolarHBondContact O-N 3.5Å; V438-N441 PolarHBondContact O-N 3.07Å; V438-C444 HydrophobicContact CB-CB 4.41Å; V438-C444 HydrophobicContact CG1-CB 4.1Å
439M90.3Very high90.2Very high1 Ų120.5 Ų20.51%0.00511%0.106CC..Hα-helixtrans-77.7-8.1-177.4-65-65.4-61.700113.7F415 V435 R436 L445 V492 G495 L496 I500F415-M439 HydrophobicContact CE2-CG 4.39Å; F415-M439 HydrophobicContact CE2-SD 3.86Å; F415-M439 HydrophobicContact CZ-CG 3.93Å; F415-M439 HydrophobicContact CZ-SD 3.99Å; V435-M439 HydrophobicContact CG1-CG 3.93Å; V435-M439 VanDerWaalsContact O-CB 3.27Å; V435-M439 WeakPolarHBondContact O-CB 3.45Å; V435-M439 VanDerWaalsContact O-CG 3.24Å; V435-M439 WeakPolarHBondContact O-CG 3.38Å; V435-M439 PolarHBondContact O-N 3.1Å; R436-M439 PolarHBondContact O-N 2.97Å; M439-L445 HydrophobicContact SD-CD1 4.46Å; M439-V492 HydrophobicContact CE-CB 4.46Å; M439-V492 HydrophobicContact CE-CG1 3.76Å; M439-G495 CarbonylContact O-C 3.55Å; M439-G495 VanDerWaalsContact O-C 3.24Å; M439-G495 WeakPolarHBondContact O-CA 2.73Å; M439-L496 HydrophobicContact CE-CD1 4.09Å; M439-L496 HydrophobicContact CE-CD2 3.57Å; M439-L496 HydrophobicContact CE-CG 3.47Å; M439-L496 VanDerWaalsContact CE-CG 3.47Å; M439-I500 WeakPolarHBondContact O-CG1 3.04Å
440S84.3Confident90.5Very high7 Ų718 Ų185%0.0499%0.086CC..THydrogen-bonded Turntrans-96.8-3.2172.171.80000113.9M163 R436 V437 V438M163-S440 PolarHBondContact O-OG 3.32Å; R436-S440 WeakPolarHBondContact O-CB 3.48Å; R436-S440 PolarHBondContact O-N 3.33Å; R436-S440 PolarHBondContact O-OG 3.32Å; V437-S440 PolarHBondContact O-OG 2.85Å; V438-S440 VanDerWaalsContact C-N 3.28Å; V438-S440 PolarHBondContact O-N 3.5Å
441N85.3Confident90.8Very high3 Ų317.3 Ų17.32%0.0168%0.081CC..  trans-132.5116.5-176.7-174.4-15.3000112.3A161 S162 V438 N443 C444 L445 I500A161-N441 PolarHBondContact O-ND2 3.02Å; S162-N441 WeakPolarHBondContact CA-ND2 3.03Å; V438-N441 PolarHBondContact O-N 3.07Å; N441-N443 PolarHBondContact O-N 2.84Å; N441-N443 WeakPolarHBondContact OD1-CB 3.46Å; N441-N443 PolarHBondContact OD1-N 3.1Å; N441-C444 HydrophobicContact CB-CB 3.98Å; N441-C444 PolarHBondContact ND2-SG 3.06Å; N441-C444 VanDerWaalsContact ND2-SG 3.41Å; N441-C444 WeakPolarHBondContact O-CB 3.48Å; N441-C444 PolarHBondContact O-N 3.41Å; N441-C444 VanDerWaalsContact O-N 3.15Å; N441-L445 PolarHBondContact O-N 3.33Å; N441-L445 VanDerWaalsContact O-N 3.13Å; N441-I500 VanDerWaalsContact C-CD1 3.44Å
442L88.8Confident90.5Very high6 Ų624.4 Ų24.43%0.03112%0.12CC..Hα-helixtrans-58.4-34.4-179.8-171.367.4000112.5Y205 N446 I500 L504 V516Y205-L442 HydrophobicContact CD1-CD2 4.4Å; Y205-L442 HydrophobicContact CE1-CB 4.26Å; Y205-L442 HydrophobicContact CE1-CD2 3.96Å; L442-N446 WeakPolarHBondContact O-CB 3.22Å; L442-N446 PolarHBondContact O-N 3.26Å; L442-I500 HydrophobicContact CB-CD1 4.33Å; L442-I500 HydrophobicContact CD1-CD1 4.5Å; L442-I500 HydrophobicContact CD1-CG2 3.78Å; L442-L504 HydrophobicContact CD1-CD2 3.83Å; L442-L504 HydrophobicContact CD2-CD2 4.21Å; L442-V516 HydrophobicContact CD1-CB 4.07Å; L442-V516 HydrophobicContact CD1-CG1 3.71Å; L442-V516 HydrophobicContact CD1-CG2 4.21Å; L442-V516 HydrophobicContact CG-CG1 4.25Å
443N89.1Confident90.3Very high1 Ų125.9 Ų25.91%0.00514%0.136CC..Hα-helixtrans-69.9-40.2179.2-69.5-2.8000111.9V175 G206 I207 I412 N441 N446 G447V175-N443 WeakPolarHBondContact CB-ND2 3.24Å; V175-N443 HydrophobicContact CG2-CB 4.24Å; V175-N443 WeakPolarHBondContact CG2-ND2 3.06Å; G206-N443 WeakPolarHBondContact CA-OD1 3.5Å; G206-N443 PolarHBondContact N-OD1 3.24Å; I207-N443 PolarHBondContact N-OD1 3.09Å; I207-N443 VanDerWaalsContact O-CG 3.25Å; I207-N443 PolarHBondContact O-ND2 2.96Å; I207-N443 PolarHBondContact O-OD1 2.96Å; I412-N443 HydrophobicContact CD1-CB 4.28Å; N441-N443 PolarHBondContact O-N 2.84Å; N441-N443 WeakPolarHBondContact OD1-CB 3.46Å; N441-N443 PolarHBondContact OD1-N 3.1Å; N443-N446 PolarHBondContact O-N 3.47Å; N443-G447 PolarHBondContact O-N 3.22Å
444C90.6Very high90.2Very high0 Ų025.8 Ų25.80%015%0.146CC..Hα-helixtrans-61.9-49.4176.1-67.60000110.9A161 V413 V438 N441 N446 G447 S448A161-C444 PolarHBondContact O-SG 3.17Å; V413-C444 VanDerWaalsContact O-CA 3.29Å; V413-C444 WeakPolarHBondContact O-CA 3.02Å; V413-C444 WeakPolarHBondContact O-CB 2.92Å; V413-C444 PolarHBondContact O-SG 3.48Å; V438-C444 HydrophobicContact CB-CB 4.41Å; V438-C444 HydrophobicContact CG1-CB 4.1Å; N441-C444 HydrophobicContact CB-CB 3.98Å; N441-C444 PolarHBondContact ND2-SG 3.06Å; N441-C444 VanDerWaalsContact ND2-SG 3.41Å; N441-C444 WeakPolarHBondContact O-CB 3.48Å; N441-C444 PolarHBondContact O-N 3.41Å; N441-C444 VanDerWaalsContact O-N 3.15Å; C444-N446 PolarHBondContact O-N 3.5Å; C444-G447 PolarHBondContact O-N 2.85Å; C444-S448 PolarHBondContact O-N 3.14Å; C444-S448 VanDerWaalsContact O-N 3.15Å; C444-S448 PolarHBondContact O-OG 3.12Å
445L92.3Very high90.2Very high0 Ų026.4 Ų26.40%016%0.157CC..Hα-helixtrans-62.8-43.5177.8-175.662000111.7F415 M439 N441 G447 S448 F449 F475 I500 I519 L520F415-L445 HydrophobicContact CD2-CD1 4.26Å; F415-L445 HydrophobicContact CE2-CD1 4.13Å; M439-L445 HydrophobicContact SD-CD1 4.46Å; N441-L445 PolarHBondContact O-N 3.33Å; N441-L445 VanDerWaalsContact O-N 3.13Å; L445-G447 VanDerWaalsContact C-N 3.32Å; L445-G447 PolarHBondContact O-N 3.03Å; L445-S448 VanDerWaalsContact O-CB 3.32Å; L445-S448 WeakPolarHBondContact O-CB 3.45Å; L445-S448 PolarHBondContact O-N 3.06Å; L445-S448 PolarHBondContact O-OG 3.18Å; L445-F449 HydrophobicContact CD1-CE2 4.18Å; L445-F475 HydrophobicContact CD1-CZ 4.13Å; L445-I500 HydrophobicContact CB-CD1 4.45Å; L445-I500 HydrophobicContact CD2-CD1 4.33Å; L445-I500 HydrophobicContact CD2-CG2 4.07Å; L445-I519 HydrophobicContact CD1-CG2 4.39Å; L445-I519 HydrophobicContact CG-CG2 4.42Å; L445-L520 HydrophobicContact CD2-CD2 3.67Å; L445-L520 HydrophobicContact CD2-CG 4.45Å
446N93Very high90.2Very high0 Ų029.7 Ų29.70%017%0.169CC..Hα-helixtrans-64.8-35.6177.5-166.93.8000112.5G206 L442 N443 C444 S448 E512 R515 V516G206-N446 PolarHBondContact O-ND2 3.11Å; L442-N446 WeakPolarHBondContact O-CB 3.22Å; L442-N446 PolarHBondContact O-N 3.26Å; N443-N446 PolarHBondContact O-N 3.47Å; C444-N446 PolarHBondContact O-N 3.5Å; N446-S448 VanDerWaalsContact C-N 3.28Å; N446-S448 PolarHBondContact O-N 2.99Å; N446-E512 PolarHBondContact ND2-O 3.48Å; N446-E512 PolarHBondContact OD1-O 3.42Å; N446-R515 WeakPolarHBondContact OD1-CB 3.4Å; N446-R515 WeakPolarHBondContact OD1-CD 3.26Å; N446-V516 HydrophobicContact CB-CG1 3.71Å
447G92.2Very high90.5Very high7 Ų724.9 Ų24.97%0.07215%0.151CC..Hα-helixtrans-75.4-10.7176.900000114.9T414 N443 C444 L445 L450T414-G447 VanDerWaalsContact CG2-C 3.43Å; T414-G447 WeakPolarHBondContact CG2-O 3.1Å; N443-G447 PolarHBondContact O-N 3.22Å; C444-G447 PolarHBondContact O-N 2.85Å; L445-G447 VanDerWaalsContact C-N 3.32Å; L445-G447 PolarHBondContact O-N 3.03Å; G447-L450 WeakPolarHBondContact O-CG 3.35Å
448S94.4Very high90.8Very high11 Ų1126 Ų268%0.07716%0.159CC..Hα-helixtrans-69.8-39.9-168.5-69.10000114.7F415 C444 L445 N446F415-S448 PolarHBondContact N-OG 3.15Å; C444-S448 PolarHBondContact O-N 3.14Å; C444-S448 VanDerWaalsContact O-N 3.15Å; C444-S448 PolarHBondContact O-OG 3.12Å; L445-S448 VanDerWaalsContact O-CB 3.32Å; L445-S448 WeakPolarHBondContact O-CB 3.45Å; L445-S448 PolarHBondContact O-N 3.06Å; L445-S448 PolarHBondContact O-OG 3.18Å; N446-S448 VanDerWaalsContact C-N 3.28Å; N446-S448 PolarHBondContact O-N 2.99Å
449F96Very high90.9Very high1 Ų126.1 Ų26.10%0.00416%0.16CC..THydrogen-bonded Turntrans-112.232.4-168.1-50.4-61.9000112.1F415 L445 I466 D467 A471 C474 F475 I519F415-F449 HydrophobicContact CB-CE1 4.28Å; F415-F449 HydrophobicContact CB-CZ 4.42Å; F415-F449 HydrophobicContact CD2-CZ 4.02Å; L445-F449 HydrophobicContact CD1-CE2 4.18Å; F449-I466 CarbonylContact O-C 3.52Å; F449-I466 WeakPolarHBondContact O-CA 3.39Å; F449-I466 WeakPolarHBondContact O-CB 3.46Å; F449-D467 PolarHBondContact O-N 2.84Å; F449-A471 HydrophobicContact CB-CB 4.22Å; F449-A471 HydrophobicContact CD1-CB 3.81Å; F449-A471 HydrophobicContact CD2-CB 3.69Å; F449-A471 HydrophobicContact CE1-CB 4.07Å; F449-A471 HydrophobicContact CE2-CB 3.94Å; F449-A471 HydrophobicContact CG-CB 3.6Å; F449-A471 HydrophobicContact CZ-CB 4.12Å; F449-C474 HydrophobicContact CE1-CB 3.68Å; F449-C474 HydrophobicContact CZ-CB 4.21Å; F449-F475 AromaticContact CE2-CE2 3.9Å; F449-F475 HydrophobicContact CE2-CE2 3.9Å; F449-F475 HydrophobicContact CE2-CZ 4.07Å; F449-F475 AromaticContact CZ-CE2 3.99Å; F449-F475 HydrophobicContact CZ-CE2 3.99Å; F449-F475 HydrophobicContact CZ-CZ 4.11Å; F449-I519 HydrophobicContact CD2-CD1 4.2Å; F449-I519 HydrophobicContact CD2-CG1 4.22Å; F449-I519 HydrophobicContact CD2-CG2 3.69Å; F449-I519 HydrophobicContact CE2-CG2 3.57Å
450L94.7Very high91Very high32 Ų3227.8 Ų27.817%0.16817%0.172CC..BIsolated β-bridgetrans-67.3138.9179-62.4178.6000110.4G447 R456 I466 R515G447-L450 WeakPolarHBondContact O-CG 3.35Å; L450-R456 HydrophobicContact CB-CB 4.19Å; L450-I466 HydrophobicContact CD2-CG2 4.22Å; L450-R515 VanDerWaalsContact CD2-NH1 3.32Å
451K94.3Very high91.3Very high81 Ų8129 Ų2935%0.35218%0.179SC..PPolyproline II helixtrans-63145.3175.3-70.3-177.2179.4-179.20111.5R456 G465 I466 D467K451-R456 VanDerWaalsContact O-CB 3.26Å; K451-R456 WeakPolarHBondContact O-CB 3.49Å; K451-G465 PolarHBondContact N-O 3.27Å; K451-I466 WeakPolarHBondContact CE-O 3.36Å; K451-D467 HydrophobicContact CG-CB 4.24Å
452D87.4Confident91.5Very high155 Ų15534.6 Ų34.683%0.82921%0.209SC*.THydrogen-bonded Turntrans-65.1154.9173.8-73.6-37.8000113.4A454 G455D452-A454 PolarHBondContact O-N 3.47Å; D452-G455 PolarHBondContact O-N 3.22Å
453G87.2Confident91.6Very high37 Ų3736.3 Ų36.338%0.38122%0.218SC..G310 helixtrans57.5-130.9173.600000113.8G455 F457G453-G455 VanDerWaalsContact C-N 3.26Å; G453-G455 PolarHBondContact O-N 3.31Å; G453-F457 WeakPolarHBondContact O-CE2 3.4Å
454A86.8Confident91.8Very high62 Ų6237.5 Ų37.551%0.51223%0.226SC..G310 helixtrans-71.1-18.6-176.800000113.6D452 R456 F457D452-A454 PolarHBondContact O-N 3.47Å; A454-R456 VanDerWaalsContact C-N 3.32Å; A454-R456 PolarHBondContact O-N 2.99Å; A454-F457 PolarHBondContact O-N 3.26Å
455G89.6Confident91.9Very high27 Ų2737.5 Ų37.528%0.27823%0.226SC..G310 helixtrans-67.3-26.5-171.600000114.8D452 G453 F457 N463D452-G455 PolarHBondContact O-N 3.22Å; G453-G455 VanDerWaalsContact C-N 3.26Å; G453-G455 PolarHBondContact O-N 3.31Å; G455-F457 VanDerWaalsContact C-N 3.34Å; G455-N463 PolarHBondContact O-ND2 2.97Å
456R93.6Very high92.1Very high69 Ų6937.8 Ų37.826%0.2623%0.227SC..G310 helixtrans-72.8-22.9178.560.6-174.9-171.8-111.43.8114.4S224 S225 L450 K451 A454 R515S224-R456 WeakPolarHBondContact O-CD 3.06Å; S224-R456 PolarHBondContact O-NE 2.8Å; S225-R456 VanDerWaalsContact CB-O 3.28Å; S225-R456 WeakPolarHBondContact CB-O 3.47Å; S225-R456 PolarHBondContact OG-O 2.88Å; L450-R456 HydrophobicContact CB-CB 4.19Å; K451-R456 VanDerWaalsContact O-CB 3.26Å; K451-R456 WeakPolarHBondContact O-CB 3.49Å; A454-R456 VanDerWaalsContact C-N 3.32Å; A454-R456 PolarHBondContact O-N 2.99Å; R456-R515 PolarHBondContact O-NH2 3.12Å
457F94.6Very high92.1Very high4 Ų441 Ų412%0.01825%0.245CC..SBendtrans-83.1170.8-173.8-61.6-84.5000112.5S225 R275 V277 I291 G453 A454 G455 V459 N463S225-F457 WeakPolarHBondContact O-CA 3.33Å; S225-F457 WeakPolarHBondContact O-CD1 3.45Å; R275-F457 HydrophobicContact CB-CB 4.17Å; R275-F457 HydrophobicContact CB-CD1 3.85Å; R275-F457 HydrophobicContact CB-CD2 4.28Å; R275-F457 HydrophobicContact CB-CE1 4.27Å; R275-F457 HydrophobicContact CB-CG 3.85Å; R275-F457 HydrophobicContact CG-CB 3.83Å; R275-F457 HydrophobicContact CG-CD1 4.45Å; R275-F457 HydrophobicContact CG-CD2 4.48Å; R275-F457 HydrophobicContact CG-CG 4.03Å; V277-F457 HydrophobicContact CG1-CE1 4.13Å; V277-F457 HydrophobicContact CG1-CZ 3.77Å; I291-F457 HydrophobicContact CD1-CE2 3.86Å; I291-F457 HydrophobicContact CD1-CZ 4.17Å; G453-F457 WeakPolarHBondContact O-CE2 3.4Å; A454-F457 PolarHBondContact O-N 3.26Å; G455-F457 VanDerWaalsContact C-N 3.34Å; F457-V459 PolarHBondContact O-N 2.95Å; F457-N463 PolarHBondContact O-ND2 3.28Å
458C92.4Very high92Very high43 Ų4341.5 Ų41.529%0.29125%0.245SC..SBendtrans58.148.2170.9-530000113.2S460C458-S460 PolarHBondContact O-N 3.41Å
459V93.1Very high91.8Very high1 Ų143.1 Ų43.11%0.00625%0.253CS..  trans-62.6130.7-178.4-168.80000110.5R272 F457 N463 I511 E512 W557R272-V459 PolarHBondContact NE-O 3.12Å; R272-V459 PolarHBondContact NH2-O 3.31Å; F457-V459 PolarHBondContact O-N 2.95Å; V459-N463 WeakPolarHBondContact CA-O 3.5Å; V459-I511 HydrophobicContact CB-CG2 3.86Å; V459-I511 HydrophobicContact CG1-CG1 4.29Å; V459-I511 HydrophobicContact CG1-CG2 3.64Å; V459-E512 HydrophobicContact CB-CG 4.29Å; V459-E512 HydrophobicContact CG1-CG 4.43Å; V459-E512 HydrophobicContact CG2-CG 4.03Å; V459-W557 HydrophobicContact CG1-CZ2 4.12Å
460S91.8Very high91.6Very high36 Ų3645.2 Ų45.225%0.25227%0.265SS..BIsolated β-bridgetrans-154.5171.2-174.970.20000110.3C458 N462 N463 W557C458-S460 PolarHBondContact O-N 3.41Å; S460-N462 PolarHBondContact O-N 3.28Å; S460-N462 PolarHBondContact OG-N 3.19Å; S460-N463 PolarHBondContact N-O 2.69Å; S460-N463 CarbonylContact O-C 3.6Å; S460-N463 VanDerWaalsContact O-C 3.28Å; S460-N463 PolarHBondContact O-N 2.83Å; S460-N463 PolarHBondContact OG-N 2.98Å; S460-N463 VanDerWaalsContact OG-N 3.12Å; S460-W557 PolarHBondContact O-NE1 3Å
461P90.2Very high91.5Very high33 Ų3343.7 Ų43.721%0.21426%0.257CS..THydrogen-bonded Turntrans-54.1-22.3169.6-22.931.8000113.3I553 T556 W557P461-I553 HydrophobicContact CG-CG1 4.23Å; P461-T556 HydrophobicContact CB-CG2 4.14Å; P461-T556 VanDerWaalsContact O-CG2 3.22Å; P461-T556 WeakPolarHBondContact O-CG2 2.86Å; P461-W557 PolarHBondContact O-NE1 3.19Å
462N89.4Confident91.2Very high121 Ų12142.2 Ų42.265%0.64725%0.252SS*.THydrogen-bonded Turntrans-96.6-15.2179.5-64-28.5000114.1S460 K560S460-N462 PolarHBondContact O-N 3.28Å; S460-N462 PolarHBondContact OG-N 3.19Å; N462-K560 PolarHBondContact OD1-NZ 3.48Å
463N91.2Very high91.5Very high41 Ų4140.5 Ų40.522%0.21924%0.237CC..BIsolated β-bridgetrans-138.3109.3177.1-178.832000110.5G455 F457 V459 S460 G465G455-N463 PolarHBondContact O-ND2 2.97Å; F457-N463 PolarHBondContact O-ND2 3.28Å; V459-N463 WeakPolarHBondContact CA-O 3.5Å; S460-N463 PolarHBondContact N-O 2.69Å; S460-N463 CarbonylContact O-C 3.6Å; S460-N463 VanDerWaalsContact O-C 3.28Å; S460-N463 PolarHBondContact O-N 2.83Å; S460-N463 PolarHBondContact OG-N 2.98Å; S460-N463 VanDerWaalsContact OG-N 3.12Å; N463-G465 VanDerWaalsContact C-N 3.29Å; N463-G465 PolarHBondContact O-N 3.06Å; N463-G465 PolarHBondContact OD1-N 3.44Å
464V93Very high91.9Very high26 Ų2638.8 Ų38.816%0.15822%0.219CC..  trans-71.2-27.5177.6-160.60000111.7I466 R515 W557V464-I466 VanDerWaalsContact C-N 3.25Å; V464-I466 HydrophobicContact CB-CG1 4.08Å; V464-I466 HydrophobicContact CG1-CD1 3.75Å; V464-I466 HydrophobicContact CG1-CG1 3.62Å; V464-I466 PolarHBondContact O-N 2.86Å; V464-R515 HydrophobicContact CG1-CG 4.16Å; V464-R515 PolarHBondContact O-NE 2.93Å; V464-R515 PolarHBondContact O-NH2 2.64Å; V464-W557 HydrophobicContact CB-CD2 4.33Å; V464-W557 HydrophobicContact CB-CZ2 4.45Å; V464-W557 HydrophobicContact CG1-CD2 3.85Å; V464-W557 HydrophobicContact CG1-CE3 3.86Å; V464-W557 HydrophobicContact CG1-CG 4.45Å; V464-W557 HydrophobicContact CG1-CH2 4.03Å; V464-W557 HydrophobicContact CG1-CZ2 4.03Å; V464-W557 HydrophobicContact CG1-CZ3 3.96Å; V464-W557 HydrophobicContact CG2-CB 4.13Å; V464-W557 HydrophobicContact CG2-CD2 3.85Å; V464-W557 HydrophobicContact CG2-CG 3.62Å
465G93.7Very high92.2Very high0 Ų036 Ų360%020%0.195CC..  trans73.87.2-177.500000115.6K451 N463K451-G465 PolarHBondContact N-O 3.27Å; N463-G465 VanDerWaalsContact C-N 3.29Å; N463-G465 PolarHBondContact O-N 3.06Å; N463-G465 PolarHBondContact OD1-N 3.44Å
466I94.8Very high92.2Very high7 Ų736.8 Ų36.84%0.03620%0.199CC..BIsolated β-bridgetrans-114.7153176.565.7179.9000112.1F449 L450 K451 V464 L468 R515 I519F449-I466 CarbonylContact O-C 3.52Å; F449-I466 WeakPolarHBondContact O-CA 3.39Å; F449-I466 WeakPolarHBondContact O-CB 3.46Å; L450-I466 HydrophobicContact CD2-CG2 4.22Å; K451-I466 WeakPolarHBondContact CE-O 3.36Å; V464-I466 VanDerWaalsContact C-N 3.25Å; V464-I466 HydrophobicContact CB-CG1 4.08Å; V464-I466 HydrophobicContact CG1-CD1 3.75Å; V464-I466 HydrophobicContact CG1-CG1 3.62Å; V464-I466 PolarHBondContact O-N 2.86Å; I466-L468 HydrophobicContact CD1-CD2 3.61Å; I466-L468 HydrophobicContact CD1-CG 4.05Å; I466-L468 HydrophobicContact CG1-CD2 4.23Å; I466-L468 HydrophobicContact CG1-CG 4.17Å; I466-R515 HydrophobicContact CD1-CB 4.42Å; I466-R515 HydrophobicContact CG2-CB 4.42Å; I466-R515 HydrophobicContact CG2-CG 4.04Å; I466-I519 HydrophobicContact CD1-CD1 4.11Å; I466-I519 HydrophobicContact CD1-CG1 3.7Å
467D93.5Very high92.2Very high68 Ų6835 Ų3536%0.36419%0.193SC..  trans-99104.4170-167.6-25000110.2F449 K451 D469 D470 A471F449-D467 PolarHBondContact O-N 2.84Å; K451-D467 HydrophobicContact CG-CB 4.24Å; D467-D469 VanDerWaalsContact C-N 3.33Å; D467-D469 WeakPolarHBondContact OD1-CB 3.2Å; D467-D469 PolarHBondContact OD1-N 3.26Å; D467-D470 HydrophobicContact CB-CB 4.03Å; D467-D470 PolarHBondContact O-N 2.83Å; D467-D470 PolarHBondContact OD1-N 2.62Å; D467-A471 PolarHBondContact O-N 3.44Å
468L89.9Confident92.2Very high17 Ų1734.8 Ų34.89%0.08919%0.193CC..Hα-helixtrans-79.4-15.6179.8-69.4171.1000113.5I466 D470 A471 M472 V518 L561I466-L468 HydrophobicContact CD1-CD2 3.61Å; I466-L468 HydrophobicContact CD1-CG 4.05Å; I466-L468 HydrophobicContact CG1-CD2 4.23Å; I466-L468 HydrophobicContact CG1-CG 4.17Å; L468-D470 VanDerWaalsContact C-N 3.35Å; L468-A471 HydrophobicContact CD2-CB 4.43Å; L468-M472 WeakPolarHBondContact O-CB 3.43Å; L468-M472 PolarHBondContact O-N 3.34Å; L468-V518 HydrophobicContact CD1-CG1 3.64Å; L468-V518 HydrophobicContact CD2-CG1 4.14Å; L468-L561 HydrophobicContact CD1-CD2 3.19Å
469D90.4Very high92.1Very high44 Ų4434.5 Ų34.524%0.23519%0.191CC..Hα-helixtrans-71.9-38.2171.1-73.2-24.7000110.3D467 M472 K473 R564 H565D467-D469 VanDerWaalsContact C-N 3.33Å; D467-D469 WeakPolarHBondContact OD1-CB 3.2Å; D467-D469 PolarHBondContact OD1-N 3.26Å; D469-M472 PolarHBondContact O-N 3.17Å; D469-K473 WeakPolarHBondContact O-CG 3.35Å; D469-K473 PolarHBondContact O-N 2.9Å; D469-R564 IonicContact OD1-CZ 2.96Å; D469-R564 IonicContact OD1-NE 2.78Å; D469-R564 PolarHBondContact OD1-NE 3.07Å; D469-R564 IonicContact OD1-NH1 3.77Å; D469-R564 IonicContact OD1-NH2 3.69Å; D469-R564 PolarHBondContact OD1-NH2 3.3Å; D469-R564 IonicContact OD2-CZ 2.94Å; D469-R564 IonicContact OD2-NH1 3.63Å; D469-R564 IonicContact OD2-NH2 3.31Å; D469-R564 PolarHBondContact OD2-NH2 3.26Å; D469-H565 IonicContact OD1-CE1 2.69Å; D469-H565 PolarHBondContact OD1-CE1 3.24Å; D469-H565 IonicContact OD1-NE2 3.27Å; D469-H565 PolarHBondContact OD1-NE2 3.15Å
470D92.8Very high92.1Very high46 Ų4640.3 Ų40.325%0.24622%0.218CC..Hα-helixtrans-64.2-46.5173.2-167.744.4000111.4D467 L468 M472 K473 C474D467-D470 HydrophobicContact CB-CB 4.03Å; D467-D470 PolarHBondContact O-N 2.83Å; D467-D470 PolarHBondContact OD1-N 2.62Å; L468-D470 VanDerWaalsContact C-N 3.35Å; D470-M472 VanDerWaalsContact C-N 3.29Å; D470-M472 PolarHBondContact O-N 2.87Å; D470-K473 PolarHBondContact O-N 3.14Å; D470-K473 VanDerWaalsContact O-N 3.16Å; D470-C474 WeakPolarHBondContact O-CB 3.36Å; D470-C474 PolarHBondContact O-N 3.19Å
471A92.6Very high92.1Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-55.1-44.7172.800000112.3F449 D467 L468 C474 F475F449-A471 HydrophobicContact CB-CB 4.22Å; F449-A471 HydrophobicContact CD1-CB 3.81Å; F449-A471 HydrophobicContact CD2-CB 3.69Å; F449-A471 HydrophobicContact CE1-CB 4.07Å; F449-A471 HydrophobicContact CE2-CB 3.94Å; F449-A471 HydrophobicContact CG-CB 3.6Å; F449-A471 HydrophobicContact CZ-CB 4.12Å; D467-A471 PolarHBondContact O-N 3.44Å; L468-A471 HydrophobicContact CD2-CB 4.43Å; A471-C474 PolarHBondContact O-N 2.95Å; A471-F475 WeakPolarHBondContact O-CD2 3.46Å; A471-F475 PolarHBondContact O-N 3.06Å
472M88.3Confident92.2Very high50 Ų5039.3 Ų39.325%0.24621%0.207CC..Hα-helixtrans-62.8-43.2178.3-178.4-177.263.800112.4L468 D469 D470 A476 W522L468-M472 WeakPolarHBondContact O-CB 3.43Å; L468-M472 PolarHBondContact O-N 3.34Å; D469-M472 PolarHBondContact O-N 3.17Å; D470-M472 VanDerWaalsContact C-N 3.29Å; D470-M472 PolarHBondContact O-N 2.87Å; M472-A476 VanDerWaalsContact O-CB 3.25Å; M472-A476 WeakPolarHBondContact O-CB 3.38Å; M472-A476 PolarHBondContact O-N 3.08Å; M472-W522 HydrophobicContact CB-CE3 4.21Å; M472-W522 HydrophobicContact CB-CZ3 4.16Å; M472-W522 HydrophobicContact CG-CE3 4.22Å; M472-W522 HydrophobicContact CG-CZ3 3.93Å; M472-W522 HydrophobicContact SD-CZ3 4Å
473K92.5Very high92.1Very high119 Ų11937.6 Ų37.652%0.51721%0.21SC..Hα-helixtrans-65.8-46.4177.3-71170.1-173.7172.60111.1L417 D469 D470 F475 A476 F477L417-K473 HydrophobicContact CD2-CB 3.96Å; L417-K473 HydrophobicContact CD2-CD 4.47Å; D469-K473 WeakPolarHBondContact O-CG 3.35Å; D469-K473 PolarHBondContact O-N 2.9Å; D470-K473 PolarHBondContact O-N 3.14Å; D470-K473 VanDerWaalsContact O-N 3.16Å; K473-F475 PolarHBondContact O-N 3.15Å; K473-A476 PolarHBondContact O-N 3.18Å; K473-F477 PolarHBondContact O-N 2.78Å
474C94.8Very high91.9Very high1 Ų141.7 Ų41.71%0.00723%0.232CC..Hα-helixtrans-56.8-50.5177.4-174.50000111.8L420 F449 D470 A471 A476 F477 L478L420-C474 WeakPolarHBondContact CD1-SG 3.39Å; F449-C474 HydrophobicContact CE1-CB 3.68Å; F449-C474 HydrophobicContact CZ-CB 4.21Å; D470-C474 WeakPolarHBondContact O-CB 3.36Å; D470-C474 PolarHBondContact O-N 3.19Å; A471-C474 PolarHBondContact O-N 2.95Å; C474-A476 PolarHBondContact O-N 2.99Å; C474-F477 PolarHBondContact O-N 3.49Å; C474-L478 WeakPolarHBondContact O-CG 3.43Å; C474-L478 PolarHBondContact O-N 3.2Å
475F93.2Very high91.7Very high2 Ų242.8 Ų42.81%0.00924%0.239CC..Hα-helixtrans-71.4-27.4178.4-70.7-56.6000113.7L445 F449 A471 K473 L478 S479 I519 W522 C523L445-F475 HydrophobicContact CD1-CZ 4.13Å; F449-F475 AromaticContact CE2-CE2 3.9Å; F449-F475 HydrophobicContact CE2-CE2 3.9Å; F449-F475 HydrophobicContact CE2-CZ 4.07Å; F449-F475 AromaticContact CZ-CE2 3.99Å; F449-F475 HydrophobicContact CZ-CE2 3.99Å; F449-F475 HydrophobicContact CZ-CZ 4.11Å; A471-F475 WeakPolarHBondContact O-CD2 3.46Å; A471-F475 PolarHBondContact O-N 3.06Å; K473-F475 PolarHBondContact O-N 3.15Å; F475-L478 HydrophobicContact CD1-CD1 4.1Å; F475-L478 HydrophobicContact CE1-CD1 4.48Å; F475-S479 WeakPolarHBondContact O-CB 3.41Å; F475-S479 PolarHBondContact O-N 2.94Å; F475-I519 HydrophobicContact CE2-CG2 4.07Å; F475-I519 HydrophobicContact CZ-CG2 4.33Å; F475-W522 WeakPolarHBondContact CB-O 3.39Å; F475-W522 HydrophobicContact CD2-CB 3.6Å; F475-W522 HydrophobicContact CE2-CB 3.98Å; F475-C523 HydrophobicContact CD1-CB 3.99Å; F475-C523 HydrophobicContact CE1-CB 3.81Å; F475-C523 HydrophobicContact CE2-CB 4.46Å; F475-C523 HydrophobicContact CG-CB 4.4Å; F475-C523 HydrophobicContact CZ-CB 4.06Å
476A90.4Very high91.6Very high45 Ų4547.1 Ų47.137%0.37227%0.265SS..Hα-helixtrans-66.8-45.4171.900000111.2M472 K473 C474 S479 E480M472-A476 VanDerWaalsContact O-CB 3.25Å; M472-A476 WeakPolarHBondContact O-CB 3.38Å; M472-A476 PolarHBondContact O-N 3.08Å; K473-A476 PolarHBondContact O-N 3.18Å; C474-A476 PolarHBondContact O-N 2.99Å; A476-S479 WeakPolarHBondContact O-CB 3.34Å; A476-S479 PolarHBondContact O-N 3.26Å; A476-E480 PolarHBondContact O-N 3.22Å; A476-E480 VanDerWaalsContact O-N 3.13Å
477F94.2Very high91.4Very high31 Ų3152.2 Ų52.214%0.13629%0.289CS..Hα-helixtrans-60.4-48.8174.5178.7-95.8000111.5L417 L420 E421 A424 K473 C474 S479 E480 Q481L417-F477 HydrophobicContact CD1-CB 3.98Å; L417-F477 HydrophobicContact CD1-CG 4.17Å; L420-F477 HydrophobicContact CB-CD1 4.05Å; L420-F477 HydrophobicContact CB-CE1 3.84Å; E421-F477 HydrophobicContact CB-CZ 4.46Å; E421-F477 HydrophobicContact CG-CD2 4.19Å; E421-F477 HydrophobicContact CG-CE2 3.84Å; E421-F477 HydrophobicContact CG-CZ 4.08Å; A424-F477 HydrophobicContact CB-CE1 4.27Å; A424-F477 HydrophobicContact CB-CZ 3.71Å; K473-F477 PolarHBondContact O-N 2.78Å; C474-F477 PolarHBondContact O-N 3.49Å; F477-S479 VanDerWaalsContact C-N 3.28Å; F477-S479 PolarHBondContact O-N 2.88Å; F477-E480 WeakPolarHBondContact O-CB 3.22Å; F477-E480 PolarHBondContact O-N 3.02Å; F477-E480 VanDerWaalsContact O-N 3.08Å; F477-Q481 HydrophobicContact CD1-CG 4.11Å; F477-Q481 HydrophobicContact CE1-CG 3.62Å; F477-Q481 HydrophobicContact CE2-CG 4.32Å; F477-Q481 HydrophobicContact CZ-CG 3.74Å; F477-Q481 WeakPolarHBondContact O-CG 3.37Å; F477-Q481 PolarHBondContact O-N 2.96Å
478L93.5Very high91.4Very high0 Ų049 Ų490%027%0.272CS..Hα-helixtrans-58.3-40.7176.4-73.3173.8000111.9F415 L420 V435 C474 F475 E480 Q481 C482F415-L478 HydrophobicContact CE1-CD1 4.34Å; F415-L478 HydrophobicContact CE2-CD1 4.17Å; F415-L478 HydrophobicContact CZ-CD1 3.93Å; L420-L478 HydrophobicContact CD1-CD2 4.25Å; L420-L478 HydrophobicContact CD1-CG 4.29Å; L420-L478 HydrophobicContact CD2-CD2 4.07Å; V435-L478 HydrophobicContact CG2-CD2 3.68Å; C474-L478 WeakPolarHBondContact O-CG 3.43Å; C474-L478 PolarHBondContact O-N 3.2Å; F475-L478 HydrophobicContact CD1-CD1 4.1Å; F475-L478 HydrophobicContact CE1-CD1 4.48Å; L478-E480 VanDerWaalsContact C-N 3.29Å; L478-E480 PolarHBondContact O-N 3.24Å; L478-Q481 PolarHBondContact O-N 2.76Å; L478-C482 VanDerWaalsContact O-CB 3.28Å; L478-C482 WeakPolarHBondContact O-CB 3.5Å; L478-C482 PolarHBondContact O-N 3.36Å; L478-C482 PolarHBondContact O-SG 3.39Å
479S91.1Very high91.6Very high36 Ų3650 Ų5025%0.25228%0.276SS..Hα-helixtrans-59.9-38.4176-171.80000112.8F475 A476 F477 A483F475-S479 WeakPolarHBondContact O-CB 3.41Å; F475-S479 PolarHBondContact O-N 2.94Å; A476-S479 WeakPolarHBondContact O-CB 3.34Å; A476-S479 PolarHBondContact O-N 3.26Å; F477-S479 VanDerWaalsContact C-N 3.28Å; F477-S479 PolarHBondContact O-N 2.88Å; S479-A483 PolarHBondContact O-N 2.96Å; S479-A483 VanDerWaalsContact O-N 3.16Å
480E92.2Very high91.7Very high124 Ų12455.3 Ų55.358%0.57929%0.293SS*.Hα-helixtrans-68.2-44.8177.1-175.5176.6-176.400111A476 F477 L478 C482 A483 N484A476-E480 PolarHBondContact O-N 3.22Å; A476-E480 VanDerWaalsContact O-N 3.13Å; F477-E480 WeakPolarHBondContact O-CB 3.22Å; F477-E480 PolarHBondContact O-N 3.02Å; F477-E480 VanDerWaalsContact O-N 3.08Å; L478-E480 VanDerWaalsContact C-N 3.29Å; L478-E480 PolarHBondContact O-N 3.24Å; E480-C482 VanDerWaalsContact C-N 3.34Å; E480-C482 PolarHBondContact O-N 2.92Å; E480-A483 WeakPolarHBondContact O-CB 3.36Å; E480-A483 PolarHBondContact O-N 3.44Å; E480-N484 PolarHBondContact O-ND2 3.09Å
481Q93Very high91.6Very high39 Ų3954.1 Ų54.118%0.18229%0.287CS..Hα-helixtrans-65.5-37.3176.9-60.6-51.2-44.300112.6F477 L478 A483 N484 T485 L488F477-Q481 HydrophobicContact CD1-CG 4.11Å; F477-Q481 HydrophobicContact CE1-CG 3.62Å; F477-Q481 HydrophobicContact CE2-CG 4.32Å; F477-Q481 HydrophobicContact CZ-CG 3.74Å; F477-Q481 WeakPolarHBondContact O-CG 3.37Å; F477-Q481 PolarHBondContact O-N 2.96Å; L478-Q481 PolarHBondContact O-N 2.76Å; Q481-A483 VanDerWaalsContact C-N 3.35Å; Q481-N484 PolarHBondContact O-N 2.95Å; Q481-T485 WeakPolarHBondContact O-CB 3.13Å; Q481-T485 PolarHBondContact O-N 2.88Å; Q481-T485 PolarHBondContact O-OG1 3.48Å; Q481-T485 VanDerWaalsContact O-OG1 3.12Å; Q481-L488 HydrophobicContact CB-CD2 3.7Å
482C91.3Very high91.6Very high9 Ų954.1 Ų54.16%0.06129%0.287CS..Hα-helixtrans-67.7-32.9177.4-71.30000112.7L478 E480 N484 T485 E489L478-C482 VanDerWaalsContact O-CB 3.28Å; L478-C482 WeakPolarHBondContact O-CB 3.5Å; L478-C482 PolarHBondContact O-N 3.36Å; L478-C482 PolarHBondContact O-SG 3.39Å; E480-C482 VanDerWaalsContact C-N 3.34Å; E480-C482 PolarHBondContact O-N 2.92Å; C482-N484 PolarHBondContact O-N 3.21Å; C482-T485 CarbonylContact O-C 3.5Å; C482-T485 PolarHBondContact O-N 2.95Å; C482-T485 VanDerWaalsContact O-N 3.17Å; C482-E489 HydrophobicContact CB-CB 3.95Å; C482-E489 WeakPolarHBondContact CB-OE2 3.32Å; C482-E489 PolarHBondContact SG-OE2 3.26Å; C482-E489 VanDerWaalsContact SG-OE2 3.39Å
483A88.1Confident91.8Very high85 Ų8552.9 Ų52.970%0.70228%0.282SS*.Hα-helixtrans-61.6-27.7174.900000112.3S479 E480 Q481S479-A483 PolarHBondContact O-N 2.96Å; S479-A483 VanDerWaalsContact O-N 3.16Å; E480-A483 WeakPolarHBondContact O-CB 3.36Å; E480-A483 PolarHBondContact O-N 3.44Å; Q481-A483 VanDerWaalsContact C-N 3.35Å
484N86.2Confident91.7Very high126 Ų12652.7 Ų52.767%0.67428%0.282SS*.Hα-helixtrans-94.6-18.2177.3-59.9-32.7000113.1E480 Q481 C482E480-N484 PolarHBondContact O-ND2 3.09Å; Q481-N484 PolarHBondContact O-N 2.95Å; C482-N484 PolarHBondContact O-N 3.21Å
485T90.1Very high91.5Very high50 Ų5052.8 Ų52.831%0.30728%0.283SS..  trans-132.797.2-170-43.50000112.2Q481 C482 E487 L488 E489Q481-T485 WeakPolarHBondContact O-CB 3.13Å; Q481-T485 PolarHBondContact O-N 2.88Å; Q481-T485 PolarHBondContact O-OG1 3.48Å; Q481-T485 VanDerWaalsContact O-OG1 3.12Å; C482-T485 CarbonylContact O-C 3.5Å; C482-T485 PolarHBondContact O-N 2.95Å; C482-T485 VanDerWaalsContact O-N 3.17Å; T485-E487 VanDerWaalsContact C-N 3.27Å; T485-E487 PolarHBondContact O-N 2.75Å; T485-L488 HydrophobicContact CG2-CB 3.86Å; T485-L488 WeakPolarHBondContact O-CB 3.48Å; T485-L488 PolarHBondContact O-N 2.81Å; T485-L488 VanDerWaalsContact O-N 3.14Å; T485-E489 PolarHBondContact O-N 3Å; T485-E489 VanDerWaalsContact O-N 3.16Å
486T90.8Very high91.4Very high90 Ų9052.8 Ų52.855%0.55228%0.283SS*.Hα-helixtrans-60.3-33.6-179.2-450000113.5R490T486-R490 WeakPolarHBondContact O-CG 3.43Å; T486-R490 PolarHBondContact O-N 3.15Å; T486-R490 VanDerWaalsContact O-N 3.07Å
487E91.2Very high91.2Very high115 Ų11553.5 Ų53.554%0.53728%0.278SS..Hα-helixtrans-64.7-43.8176.7-173.3178.1175.800111.7T432 T485 R490 T491T432-E487 HydrophobicContact CG2-CG 4.21Å; T485-E487 VanDerWaalsContact C-N 3.27Å; T485-E487 PolarHBondContact O-N 2.75Å; E487-R490 PolarHBondContact O-N 3.32Å; E487-T491 PolarHBondContact O-N 3.2Å; E487-T491 PolarHBondContact O-OG1 2.84Å
488L92.6Very high90.8Very high1 Ų156.4 Ų56.41%0.00530%0.295CS..Hα-helixtrans-62.7-44.8178-171.965000111.5L431 T432 V435 Q481 T485 R490 T491 V492L431-L488 HydrophobicContact CD2-CD2 4.31Å; T432-L488 HydrophobicContact CG2-CD1 4.29Å; V435-L488 HydrophobicContact CB-CD1 3.84Å; V435-L488 HydrophobicContact CG1-CD1 3.95Å; V435-L488 HydrophobicContact CG2-CD1 3.95Å; Q481-L488 HydrophobicContact CB-CD2 3.7Å; T485-L488 HydrophobicContact CG2-CB 3.86Å; T485-L488 WeakPolarHBondContact O-CB 3.48Å; T485-L488 PolarHBondContact O-N 2.81Å; T485-L488 VanDerWaalsContact O-N 3.14Å; L488-R490 VanDerWaalsContact C-N 3.34Å; L488-R490 PolarHBondContact O-N 3.11Å; L488-T491 WeakPolarHBondContact O-CB 3.19Å; L488-T491 PolarHBondContact O-N 2.92Å; L488-T491 VanDerWaalsContact O-N 3.15Å; L488-V492 WeakPolarHBondContact O-CG2 3.2Å; L488-V492 PolarHBondContact O-N 3.37Å
489E94Very high90.3Very high38 Ų3857.2 Ų57.218%0.17830%0.301CS..Hα-helixtrans-60.1-44.7176.2-177.961.2-170.800111.1C482 T485 T491 V492 V493 H524C482-E489 HydrophobicContact CB-CB 3.95Å; C482-E489 WeakPolarHBondContact CB-OE2 3.32Å; C482-E489 PolarHBondContact SG-OE2 3.26Å; C482-E489 VanDerWaalsContact SG-OE2 3.39Å; T485-E489 PolarHBondContact O-N 3Å; T485-E489 VanDerWaalsContact O-N 3.16Å; E489-T491 VanDerWaalsContact C-N 3.3Å; E489-T491 PolarHBondContact O-N 3.34Å; E489-V492 PolarHBondContact O-N 3.45Å; E489-V493 HydrophobicContact CG-CG2 4.44Å; E489-V493 WeakPolarHBondContact O-CG2 3.39Å; E489-V493 PolarHBondContact O-N 3.27Å; E489-H524 IonicContact OE1-NE2 3.98Å; E489-H524 IonicContact OE2-CD2 3.81Å; E489-H524 IonicContact OE2-CE1 3.75Å; E489-H524 IonicContact OE2-NE2 3.52Å; E489-H524 PolarHBondContact OE2-NE2 3.04Å
490R92Very high90.2Very high154 Ų15455.5 Ų55.558%0.58129%0.289SS*.Hα-helixtrans-60.8-39.3175.4-74.1177.8-168.9141.11.1112.1T486 E487 L488 K494T486-R490 WeakPolarHBondContact O-CG 3.43Å; T486-R490 PolarHBondContact O-N 3.15Å; T486-R490 VanDerWaalsContact O-N 3.07Å; E487-R490 PolarHBondContact O-N 3.32Å; L488-R490 VanDerWaalsContact C-N 3.34Å; L488-R490 PolarHBondContact O-N 3.11Å; R490-K494 VanDerWaalsContact O-CB 3.25Å; R490-K494 WeakPolarHBondContact O-CB 3.46Å; R490-K494 VanDerWaalsContact O-CG 3.31Å; R490-K494 WeakPolarHBondContact O-CG 3.31Å; R490-K494 PolarHBondContact O-N 2.84Å
491T91.2Very high90Very high21 Ų2149.8 Ų49.813%0.12926%0.262CS..Hα-helixtrans-63.2-44.6177.4-71.80000111.2V435 R436 E487 L488 E489 G495V435-T491 HydrophobicContact CG1-CG2 4.36Å; R436-T491 HydrophobicContact CB-CG2 3.49Å; R436-T491 VanDerWaalsContact CB-CG2 3.49Å; R436-T491 HydrophobicContact CG-CG2 4.09Å; E487-T491 PolarHBondContact O-N 3.2Å; E487-T491 PolarHBondContact O-OG1 2.84Å; L488-T491 WeakPolarHBondContact O-CB 3.19Å; L488-T491 PolarHBondContact O-N 2.92Å; L488-T491 VanDerWaalsContact O-N 3.15Å; E489-T491 VanDerWaalsContact C-N 3.3Å; E489-T491 PolarHBondContact O-N 3.34Å; T491-G495 PolarHBondContact O-N 3.43Å
492V93.3Very high89.5Confident1 Ų152 Ų521%0.00628%0.28CS..Hα-helixtrans-62.2-51.2176.3172.40000110.8V435 M439 L488 E489 G495 L496 A525V435-V492 HydrophobicContact CG1-CG2 3.7Å; M439-V492 HydrophobicContact CE-CB 4.46Å; M439-V492 HydrophobicContact CE-CG1 3.76Å; L488-V492 WeakPolarHBondContact O-CG2 3.2Å; L488-V492 PolarHBondContact O-N 3.37Å; E489-V492 PolarHBondContact O-N 3.45Å; V492-G495 PolarHBondContact O-N 3.43Å; V492-L496 HydrophobicContact CG1-CD1 4.47Å; V492-L496 WeakPolarHBondContact O-CG 3.35Å; V492-L496 PolarHBondContact O-N 3.14Å; V492-L496 VanDerWaalsContact O-N 3.1Å; V492-A525 HydrophobicContact CG1-CB 4.43Å
493V92.7Very high89.2Confident23 Ų2352.1 Ų52.114%0.13928%0.28CS..Hα-helixtrans-62.7-48.1-177.1170.70000111.3E489 G495 L496 E497 A525 I535E489-V493 HydrophobicContact CG-CG2 4.44Å; E489-V493 WeakPolarHBondContact O-CG2 3.39Å; E489-V493 PolarHBondContact O-N 3.27Å; V493-G495 PolarHBondContact O-N 3.43Å; V493-L496 PolarHBondContact O-N 3.08Å; V493-E497 WeakPolarHBondContact O-CB 3.23Å; V493-E497 PolarHBondContact O-N 2.79Å; V493-A525 HydrophobicContact CG2-CB 4.39Å; V493-I535 HydrophobicContact CB-CD1 4.47Å; V493-I535 HydrophobicContact CG1-CD1 4.02Å
494K90.1Very high89Confident116 Ų11648.8 Ų48.850%0.50425%0.251SS..Hα-helixtrans-65.1-38.3178.3-74.3-176175.2-171.70112.8R490 L496 E497 L498R490-K494 VanDerWaalsContact O-CB 3.25Å; R490-K494 WeakPolarHBondContact O-CB 3.46Å; R490-K494 VanDerWaalsContact O-CG 3.31Å; R490-K494 WeakPolarHBondContact O-CG 3.31Å; R490-K494 PolarHBondContact O-N 2.84Å; K494-L496 VanDerWaalsContact C-N 3.3Å; K494-L496 PolarHBondContact O-N 3.17Å; K494-E497 PolarHBondContact O-N 3.17Å; K494-L498 HydrophobicContact CB-CD1 4.24Å; K494-L498 HydrophobicContact CG-CD1 4.37Å; K494-L498 WeakPolarHBondContact O-CB 3.33Å; K494-L498 PolarHBondContact O-N 3.43Å
495G89.4Confident88.4Confident3 Ų345.5 Ų45.53%0.03124%0.237CC..Hα-helixtrans-59.7-43.1175.200000111.7M439 T491 V492 V493 S499 I500M439-G495 CarbonylContact O-C 3.55Å; M439-G495 VanDerWaalsContact O-C 3.24Å; M439-G495 WeakPolarHBondContact O-CA 2.73Å; T491-G495 PolarHBondContact O-N 3.43Å; V492-G495 PolarHBondContact O-N 3.43Å; V493-G495 PolarHBondContact O-N 3.43Å; G495-S499 WeakPolarHBondContact O-CA 3.44Å; G495-S499 WeakPolarHBondContact O-CB 3.46Å; G495-S499 PolarHBondContact O-N 3.34Å; G495-S499 VanDerWaalsContact O-N 3.15Å; G495-I500 WeakPolarHBondContact O-CG1 3.19Å; G495-I500 PolarHBondContact O-N 3.36Å
496L90.9Very high87.5Confident1 Ų143.4 Ų43.41%0.00523%0.225CC..Iπ-helixtrans-64.8-52174.5-70.1176000112.9M439 V492 V493 K494 I500 I501 L520 C523 A525 F526 I535M439-L496 HydrophobicContact CE-CD1 4.09Å; M439-L496 HydrophobicContact CE-CD2 3.57Å; M439-L496 HydrophobicContact CE-CG 3.47Å; M439-L496 VanDerWaalsContact CE-CG 3.47Å; V492-L496 HydrophobicContact CG1-CD1 4.47Å; V492-L496 WeakPolarHBondContact O-CG 3.35Å; V492-L496 PolarHBondContact O-N 3.14Å; V492-L496 VanDerWaalsContact O-N 3.1Å; V493-L496 PolarHBondContact O-N 3.08Å; K494-L496 VanDerWaalsContact C-N 3.3Å; K494-L496 PolarHBondContact O-N 3.17Å; L496-I500 HydrophobicContact CD2-CB 4.27Å; L496-I500 HydrophobicContact CD2-CG1 4.49Å; L496-I500 HydrophobicContact CD2-CG2 4.3Å; L496-I501 HydrophobicContact CB-CD1 4.31Å; L496-I501 WeakPolarHBondContact O-CB 2.86Å; L496-I501 WeakPolarHBondContact O-CG1 3.41Å; L496-I501 PolarHBondContact O-N 3.3Å; L496-L520 HydrophobicContact CD2-CD2 3.49Å; L496-L520 VanDerWaalsContact CD2-CD2 3.49Å; L496-C523 HydrophobicContact CD1-CB 4.38Å; L496-A525 HydrophobicContact CD1-CB 3.57Å; L496-F526 HydrophobicContact CD1-CE2 4.29Å; L496-I535 HydrophobicContact CB-CD1 3.88Å; L496-I535 HydrophobicContact CB-CG1 4.32Å; L496-I535 HydrophobicContact CD1-CD1 3.92Å; L496-I535 HydrophobicContact CD1-CG2 4.25Å
497E88Confident86.7Confident60 Ų6040.4 Ų40.428%0.2821%0.207SC..Iπ-helixtrans-66.2-44.2-173.2177.5178.4-159.500112.7V493 K494 P502 N534V493-E497 WeakPolarHBondContact O-CB 3.23Å; V493-E497 PolarHBondContact O-N 2.79Å; K494-E497 PolarHBondContact O-N 3.17Å; E497-P502 VanDerWaalsContact O-CD 3.29Å; E497-P502 WeakPolarHBondContact O-CD 3.4Å; E497-P502 WeakPolarHBondContact O-CG 3.18Å; E497-N534 HydrophobicContact CG-CB 4.08Å; E497-N534 WeakPolarHBondContact OE1-CB 3.47Å; E497-N534 VanDerWaalsContact OE1-CG 3.3Å; E497-N534 PolarHBondContact OE1-ND2 3.1Å
498L85Confident86.2Confident92 Ų9236.2 Ų36.248%0.48219%0.191SC..Iπ-helixtrans-105.5-17.2-167.5-55.4173.4000113.7F165 K494F165-L498 HydrophobicContact CD1-CD1 4.49Å; F165-L498 HydrophobicContact CE1-CB 3.4Å; F165-L498 VanDerWaalsContact CE1-CB 3.4Å; F165-L498 HydrophobicContact CE1-CD1 3.54Å; F165-L498 HydrophobicContact CE1-CG 4.11Å; F165-L498 HydrophobicContact CZ-CB 3.72Å; F165-L498 HydrophobicContact CZ-CD1 4.06Å; F165-L498 HydrophobicContact CZ-CG 4.49Å; K494-L498 HydrophobicContact CB-CD1 4.24Å; K494-L498 HydrophobicContact CG-CD1 4.37Å; K494-L498 WeakPolarHBondContact O-CB 3.33Å; K494-L498 PolarHBondContact O-N 3.43Å
499S83.8Confident85.5Confident18 Ų1838.7 Ų38.713%0.12621%0.206CC..Iπ-helixtrans-119.1-65.6-178.9-50.50000111.3F165 G495 S503F165-S499 VanDerWaalsContact CZ-OG 3.22Å; F165-S499 WeakPolarHBondContact CZ-OG 3.29Å; G495-S499 WeakPolarHBondContact O-CA 3.44Å; G495-S499 WeakPolarHBondContact O-CB 3.46Å; G495-S499 PolarHBondContact O-N 3.34Å; G495-S499 VanDerWaalsContact O-N 3.15Å; S499-S503 WeakPolarHBondContact O-CB 3.39Å; S499-S503 PolarHBondContact O-N 3.05Å; S499-S503 PolarHBondContact O-OG 2.97Å; S499-S503 VanDerWaalsContact O-OG 3.08Å
500I89.3Confident85Confident0 Ų037.5 Ų37.50%020%0.204CC..Iπ-helixtrans-67.6-48.8-166.5-60.1-69.4000113.1M439 N441 L442 L445 G495 L496 S503 L520M439-I500 WeakPolarHBondContact O-CG1 3.04Å; N441-I500 VanDerWaalsContact C-CD1 3.44Å; L442-I500 HydrophobicContact CB-CD1 4.33Å; L442-I500 HydrophobicContact CD1-CD1 4.5Å; L442-I500 HydrophobicContact CD1-CG2 3.78Å; L445-I500 HydrophobicContact CB-CD1 4.45Å; L445-I500 HydrophobicContact CD2-CD1 4.33Å; L445-I500 HydrophobicContact CD2-CG2 4.07Å; G495-I500 WeakPolarHBondContact O-CG1 3.19Å; G495-I500 PolarHBondContact O-N 3.36Å; L496-I500 HydrophobicContact CD2-CB 4.27Å; L496-I500 HydrophobicContact CD2-CG1 4.49Å; L496-I500 HydrophobicContact CD2-CG2 4.3Å; I500-S503 WeakPolarHBondContact O-CB 3.3Å; I500-S503 PolarHBondContact O-N 2.96Å; I500-L520 HydrophobicContact CG2-CD1 4.05Å; I500-L520 HydrophobicContact CG2-CD2 3.82Å
501I86.7Confident85Confident3 Ų330.7 Ų30.72%0.01518%0.18CC..THydrogen-bonded Turntrans-71.8-45.9-176.1-66.6165.6000112.2L496 S503 L504 I535 P538 F539L496-I501 HydrophobicContact CB-CD1 4.31Å; L496-I501 WeakPolarHBondContact O-CB 2.86Å; L496-I501 WeakPolarHBondContact O-CG1 3.41Å; L496-I501 PolarHBondContact O-N 3.3Å; I501-S503 PolarHBondContact O-N 2.95Å; I501-L504 WeakPolarHBondContact O-CB 3.36Å; I501-L504 WeakPolarHBondContact O-CG 3.44Å; I501-L504 PolarHBondContact O-N 2.93Å; I501-I535 HydrophobicContact CD1-CB 4.13Å; I501-I535 HydrophobicContact CD1-CG2 3.65Å; I501-I535 WeakPolarHBondContact CD1-O 3.43Å; I501-P538 HydrophobicContact CG2-CB 3.78Å; I501-F539 HydrophobicContact CD1-CB 4.25Å; I501-F539 HydrophobicContact CG1-CB 4.48Å
502P83.5Confident85.1Confident86 Ų8629.7 Ų29.756%0.55817%0.173SC*.THydrogen-bonded Turntrans-57.5-29.5174.6-27.236.6000113.5E497 L504E497-P502 VanDerWaalsContact O-CD 3.29Å; E497-P502 WeakPolarHBondContact O-CD 3.4Å; E497-P502 WeakPolarHBondContact O-CG 3.18Å; P502-L504 VanDerWaalsContact C-N 3.29Å; P502-L504 PolarHBondContact O-N 3.34Å
503S83.3Confident85Confident11 Ų1130 Ų308%0.07718%0.175CC..THydrogen-bonded Turntrans-75-6176.8-89.50000115.4D173 Y205 S499 I500 I501 C505D173-S503 PolarHBondContact OD2-OG 3.11Å; Y205-S503 VanDerWaalsContact CE1-CB 3.43Å; Y205-S503 VanDerWaalsContact CE1-OG 3.29Å; Y205-S503 WeakPolarHBondContact CE1-OG 3.28Å; Y205-S503 WeakPolarHBondContact OH-CB 3.4Å; Y205-S503 PolarHBondContact OH-OG 3.3Å; S499-S503 WeakPolarHBondContact O-CB 3.39Å; S499-S503 PolarHBondContact O-N 3.05Å; S499-S503 PolarHBondContact O-OG 2.97Å; S499-S503 VanDerWaalsContact O-OG 3.08Å; I500-S503 WeakPolarHBondContact O-CB 3.3Å; I500-S503 PolarHBondContact O-N 2.96Å; I501-S503 PolarHBondContact O-N 2.95Å; S503-C505 PolarHBondContact O-N 3.5Å
504L84.6Confident85.1Confident15 Ų1529.1 Ų29.18%0.07917%0.17CC..  trans-77.5111.6179.8-64.1178.7000111.1L442 I501 P502 V516 Y517 L520 F539 C542L442-L504 HydrophobicContact CD1-CD2 3.83Å; L442-L504 HydrophobicContact CD2-CD2 4.21Å; I501-L504 WeakPolarHBondContact O-CB 3.36Å; I501-L504 WeakPolarHBondContact O-CG 3.44Å; I501-L504 PolarHBondContact O-N 2.93Å; P502-L504 VanDerWaalsContact C-N 3.29Å; P502-L504 PolarHBondContact O-N 3.34Å; L504-V516 HydrophobicContact CD2-CB 4.42Å; L504-V516 HydrophobicContact CD2-CG2 3.47Å; L504-V516 VanDerWaalsContact CD2-CG2 3.47Å; L504-Y517 HydrophobicContact CD1-CE1 4.01Å; L504-L520 HydrophobicContact CD1-CD1 4Å; L504-L520 HydrophobicContact CD2-CD1 4.43Å; L504-F539 HydrophobicContact CD1-CD2 3.86Å; L504-F539 HydrophobicContact CD1-CE2 4.28Å; L504-C542 HydrophobicContact CB-CB 3.95Å; L504-C542 HydrophobicContact CD1-CB 4.08Å
505C73.7Confident85.2Confident57 Ų5723.6 Ų23.639%0.38515%0.146SC..  trans-83.2143.6177.3-171.60000112.3S503 S507 P508 Y517S503-C505 PolarHBondContact O-N 3.5Å; C505-S507 VanDerWaalsContact C-N 3.29Å; C505-S507 PolarHBondContact SG-N 3.42Å; C505-S507 VanDerWaalsContact SG-N 3.37Å; C505-P508 WeakPolarHBondContact O-CG 3.39Å; C505-Y517 PolarHBondContact O-OH 3.29Å
506A71.4Confident85.4Confident6 Ų623.5 Ų23.55%0.0515%0.145CC..SBendtrans-68.4-26.6172.500000113.5P508 A545 G547 L882A506-P508 WeakPolarHBondContact O-CD 3.31Å; A506-A545 HydrophobicContact CB-CB 4.17Å; A506-A545 WeakPolarHBondContact CB-O 3.19Å; A506-G547 PolarHBondContact O-N 3.18Å; A506-L882 HydrophobicContact CB-CD1 3.46Å; A506-L882 VanDerWaalsContact CB-CD1 3.46Å; A506-L882 HydrophobicContact CB-CD2 3.96Å; A506-L882 HydrophobicContact CB-CG 4.3Å
507S73.7Confident85.3Confident27 Ų2723.5 Ų23.519%0.18915%0.145CC..SBendtrans-123.275.6177.2-63.30000110.3C505 H881C505-S507 VanDerWaalsContact C-N 3.29Å; C505-S507 PolarHBondContact SG-N 3.42Å; C505-S507 VanDerWaalsContact SG-N 3.37Å; S507-H881 PolarHBondContact OG-O 2.87Å
508P81.1Confident85.3Confident28 Ų2820.8 Ų20.818%0.18213%0.132CC..  trans-63146.9-178.1-22.134.7000112.4C505 A506 G510 A513 L514 L546C505-P508 WeakPolarHBondContact O-CG 3.39Å; A506-P508 WeakPolarHBondContact O-CD 3.31Å; P508-G510 PolarHBondContact O-N 3.35Å; P508-G510 VanDerWaalsContact O-N 3.08Å; P508-A513 HydrophobicContact CB-CB 3.66Å; P508-L514 HydrophobicContact CB-CD2 4.45Å; P508-L514 HydrophobicContact CG-CD2 3.78Å; P508-L546 HydrophobicContact CG-CD2 4.15Å
509P78.5Confident85.7Confident52 Ų5216.4 Ų16.434%0.33811%0.109SC..SBendtrans-67.8-13.9-172.525.8-35.1000114.8H203 Y205 I207H203-P509 WeakPolarHBondContact O-CB 3.46Å; Y205-P509 VanDerWaalsContact O-CG 3.28Å; Y205-P509 WeakPolarHBondContact O-CG 3.38Å; I207-P509 HydrophobicContact CD1-CB 4.12Å; I207-P509 HydrophobicContact CD1-CG 3.71Å; I207-P509 HydrophobicContact CG1-CG 4.15Å
510G83.9Confident86Confident13 Ų1315.5 Ų15.513%0.13410%0.103CC..SBendtrans-170.7169.6176.800000112.5P508 E512 A513P508-G510 PolarHBondContact O-N 3.35Å; P508-G510 VanDerWaalsContact O-N 3.08Å; G510-E512 PolarHBondContact O-N 2.95Å; G510-E512 VanDerWaalsContact O-N 3.08Å; G510-A513 WeakPolarHBondContact O-CB 3.32Å; G510-A513 PolarHBondContact O-N 3.4Å; G510-A513 VanDerWaalsContact O-N 3.12Å
511I91.2Very high85.8Confident12 Ų1216 Ų166%0.06211%0.106CC..G310 helixtrans-56.7-30.3-177.2-163.8163.6000112.8V459 A513 L514 I553 W557V459-I511 HydrophobicContact CB-CG2 3.86Å; V459-I511 HydrophobicContact CG1-CG1 4.29Å; V459-I511 HydrophobicContact CG1-CG2 3.64Å; I511-A513 VanDerWaalsContact C-N 3.29Å; I511-A513 PolarHBondContact O-N 3.2Å; I511-L514 HydrophobicContact CG1-CD1 4.38Å; I511-L514 WeakPolarHBondContact O-CB 3.29Å; I511-L514 PolarHBondContact O-N 2.91Å; I511-L514 VanDerWaalsContact O-N 3.15Å; I511-I553 HydrophobicContact CD1-CD1 3.96Å; I511-I553 HydrophobicContact CD1-CG1 4.37Å; I511-I553 HydrophobicContact CD1-CG2 3.79Å; I511-I553 HydrophobicContact CG1-CD1 4.09Å; I511-I553 HydrophobicContact CG1-CG2 3.91Å; I511-W557 HydrophobicContact CD1-CZ2 3.97Å; I511-W557 HydrophobicContact CG1-CH2 3.88Å; I511-W557 HydrophobicContact CG1-CZ2 3.72Å; I511-W557 WeakPolarHBondContact O-CH2 3.08Å
512E93.4Very high85.7Confident0 Ų016 Ų160%011%0.106CC..G310 helixtrans-68.1-33.3-176-61.8-172.8-179.200111.6S223 S225 C227 N446 V459 G510 L514 R515S223-E512 WeakPolarHBondContact CB-OE2 3.32Å; S223-E512 PolarHBondContact OG-OE1 2.92Å; S223-E512 PolarHBondContact OG-OE2 2.98Å; S225-E512 WeakPolarHBondContact CB-OE1 3.33Å; C227-E512 WeakPolarHBondContact CB-OE1 3.38Å; C227-E512 PolarHBondContact SG-OE1 3.33Å; N446-E512 PolarHBondContact ND2-O 3.48Å; N446-E512 PolarHBondContact OD1-O 3.42Å; V459-E512 HydrophobicContact CB-CG 4.29Å; V459-E512 HydrophobicContact CG1-CG 4.43Å; V459-E512 HydrophobicContact CG2-CG 4.03Å; G510-E512 PolarHBondContact O-N 2.95Å; G510-E512 VanDerWaalsContact O-N 3.08Å; E512-L514 PolarHBondContact O-N 2.83Å; E512-R515 WeakPolarHBondContact O-CB 3.28Å; E512-R515 WeakPolarHBondContact O-CD 3.49Å; E512-R515 VanDerWaalsContact O-CG 3.29Å; E512-R515 WeakPolarHBondContact O-CG 3.26Å; E512-R515 PolarHBondContact O-N 3.13Å; E512-R515 IonicContact OE2-NH1 3.03Å
513A91.7Very high86Confident6 Ų612 Ų125%0.058%0.08CC..G310 helixtrans-65.3-20.817600000112.3G206 I207 P508 G510 I511 R515 V516G206-A513 WeakPolarHBondContact O-CA 3.38Å; I207-A513 HydrophobicContact CG1-CB 4.26Å; P508-A513 HydrophobicContact CB-CB 3.66Å; G510-A513 WeakPolarHBondContact O-CB 3.32Å; G510-A513 PolarHBondContact O-N 3.4Å; G510-A513 VanDerWaalsContact O-N 3.12Å; I511-A513 VanDerWaalsContact C-N 3.29Å; I511-A513 PolarHBondContact O-N 3.2Å; A513-R515 VanDerWaalsContact C-N 3.29Å; A513-R515 PolarHBondContact O-N 3.45Å; A513-V516 VanDerWaalsContact O-CG2 3.28Å; A513-V516 WeakPolarHBondContact O-CG2 3.31Å
514L93.2Very high86.1Confident5 Ų511.5 Ų11.53%0.0268%0.077CC..G310 helixtrans-72.6-19.1178.2-65.8173.7000113.9P508 I511 E512 V516 Y517 L546 A550 I553 I554 W557P508-L514 HydrophobicContact CB-CD2 4.45Å; P508-L514 HydrophobicContact CG-CD2 3.78Å; I511-L514 HydrophobicContact CG1-CD1 4.38Å; I511-L514 WeakPolarHBondContact O-CB 3.29Å; I511-L514 PolarHBondContact O-N 2.91Å; I511-L514 VanDerWaalsContact O-N 3.15Å; E512-L514 PolarHBondContact O-N 2.83Å; L514-V516 PolarHBondContact O-N 3.13Å; L514-V516 VanDerWaalsContact O-N 3.13Å; L514-Y517 HydrophobicContact CD2-CD2 4.27Å; L514-Y517 HydrophobicContact CD2-CE2 4.32Å; L514-Y517 PolarHBondContact O-N 2.81Å; L514-Y517 VanDerWaalsContact O-N 3.11Å; L514-L546 HydrophobicContact CD2-CD1 4.48Å; L514-L546 HydrophobicContact CD2-CD2 4.16Å; L514-A550 HydrophobicContact CD1-CB 4.13Å; L514-A550 HydrophobicContact CD2-CB 3.69Å; L514-I553 HydrophobicContact CD1-CB 3.98Å; L514-I553 HydrophobicContact CD1-CD1 3.87Å; L514-I553 HydrophobicContact CD1-CG2 3.91Å; L514-I554 HydrophobicContact CB-CD1 3.9Å; L514-I554 HydrophobicContact CB-CG1 4.49Å; L514-I554 HydrophobicContact CD2-CD1 4.48Å; L514-I554 HydrophobicContact CD2-CG1 4.32Å; L514-I554 WeakPolarHBondContact O-CD1 3.24Å; L514-W557 HydrophobicContact CB-CH2 3.99Å; L514-W557 HydrophobicContact CB-CZ3 3.62Å
515R93.9Very high86.2Confident0 Ų010.8 Ų10.80%07%0.073CC..G310 helixtrans-55-34.6-176.9-72.7168169164.8-11.9112.5S225 N446 L450 R456 V464 I466 E512 A513 Y517 V518 I519 W557S225-R515 PolarHBondContact OG-NH1 2.71Å; S225-R515 PolarHBondContact OG-NH2 3.37Å; N446-R515 WeakPolarHBondContact OD1-CB 3.4Å; N446-R515 WeakPolarHBondContact OD1-CD 3.26Å; L450-R515 VanDerWaalsContact CD2-NH1 3.32Å; R456-R515 PolarHBondContact O-NH2 3.12Å; V464-R515 HydrophobicContact CG1-CG 4.16Å; V464-R515 PolarHBondContact O-NE 2.93Å; V464-R515 PolarHBondContact O-NH2 2.64Å; I466-R515 HydrophobicContact CD1-CB 4.42Å; I466-R515 HydrophobicContact CG2-CB 4.42Å; I466-R515 HydrophobicContact CG2-CG 4.04Å; E512-R515 WeakPolarHBondContact O-CB 3.28Å; E512-R515 WeakPolarHBondContact O-CD 3.49Å; E512-R515 VanDerWaalsContact O-CG 3.29Å; E512-R515 WeakPolarHBondContact O-CG 3.26Å; E512-R515 PolarHBondContact O-N 3.13Å; E512-R515 IonicContact OE2-NH1 3.03Å; A513-R515 VanDerWaalsContact C-N 3.29Å; A513-R515 PolarHBondContact O-N 3.45Å; R515-Y517 PolarHBondContact O-N 3.25Å; R515-V518 WeakPolarHBondContact O-CA 3.4Å; R515-V518 PolarHBondContact O-N 3.09Å; R515-I519 HydrophobicContact CB-CD1 4.06Å; R515-I519 WeakPolarHBondContact O-CG1 3.28Å; R515-I519 PolarHBondContact O-N 3.43Å; R515-W557 HydrophobicContact CG-CH2 4.17Å; R515-W557 HydrophobicContact CG-CZ3 4.34Å
516V92.5Very high86.6Confident1 Ų18.4 Ų8.41%0.0066%0.056CC..Hα-helixtrans-59.2-31.8-178.6-56.60000112.7L442 N446 L504 A513 L514 V518 I519 L520L442-V516 HydrophobicContact CD1-CB 4.07Å; L442-V516 HydrophobicContact CD1-CG1 3.71Å; L442-V516 HydrophobicContact CD1-CG2 4.21Å; L442-V516 HydrophobicContact CG-CG1 4.25Å; N446-V516 HydrophobicContact CB-CG1 3.71Å; L504-V516 HydrophobicContact CD2-CB 4.42Å; L504-V516 HydrophobicContact CD2-CG2 3.47Å; L504-V516 VanDerWaalsContact CD2-CG2 3.47Å; A513-V516 VanDerWaalsContact O-CG2 3.28Å; A513-V516 WeakPolarHBondContact O-CG2 3.31Å; L514-V516 PolarHBondContact O-N 3.13Å; L514-V516 VanDerWaalsContact O-N 3.13Å; V516-V518 PolarHBondContact O-N 2.98Å; V516-I519 PolarHBondContact O-N 2.88Å; V516-L520 HydrophobicContact CB-CD1 4.4Å; V516-L520 VanDerWaalsContact O-CB 3.31Å; V516-L520 WeakPolarHBondContact O-CB 3.48Å; V516-L520 VanDerWaalsContact O-CG 3.26Å; V516-L520 WeakPolarHBondContact O-CG 3.29Å; V516-L520 PolarHBondContact O-N 2.66Å
517Y89.1Confident86.7Confident2 Ų29.8 Ų9.81%0.0086%0.062CC..Hα-helixtrans-69.9-17.7175.3-68.2-77.6000113.6L504 C505 L514 R515 P521 F539 C542 F543 L546 I554L504-Y517 HydrophobicContact CD1-CE1 4.01Å; C505-Y517 PolarHBondContact O-OH 3.29Å; L514-Y517 HydrophobicContact CD2-CD2 4.27Å; L514-Y517 HydrophobicContact CD2-CE2 4.32Å; L514-Y517 PolarHBondContact O-N 2.81Å; L514-Y517 VanDerWaalsContact O-N 3.11Å; R515-Y517 PolarHBondContact O-N 3.25Å; Y517-P521 WeakPolarHBondContact O-CD 3.38Å; Y517-F539 AromaticContact CD1-CE2 3.64Å; Y517-F539 HydrophobicContact CD1-CE2 3.64Å; Y517-F539 AromaticContact CD1-CZ 3.93Å; Y517-F539 HydrophobicContact CD1-CZ 3.93Å; Y517-F539 HydrophobicContact CE1-CE2 4.31Å; Y517-F539 HydrophobicContact CG-CE2 4.49Å; Y517-C542 HydrophobicContact CE1-CB 4.21Å; Y517-F543 HydrophobicContact CD1-CB 4.31Å; Y517-F543 AromaticContact CD1-CD2 3.63Å; Y517-F543 HydrophobicContact CD1-CD2 3.63Å; Y517-F543 HydrophobicContact CD1-CE2 4.47Å; Y517-F543 HydrophobicContact CD1-CG 4.41Å; Y517-F543 HydrophobicContact CE1-CB 4.3Å; Y517-F543 HydrophobicContact CE1-CD2 4.37Å; Y517-F543 HydrophobicContact CG-CD2 4.19Å; Y517-L546 HydrophobicContact CD1-CD1 4.36Å; Y517-L546 HydrophobicContact CD2-CD1 4.07Å; Y517-L546 HydrophobicContact CE1-CD1 4.16Å; Y517-L546 HydrophobicContact CE1-CG 4.44Å; Y517-L546 HydrophobicContact CE2-CD1 3.91Å; Y517-L546 HydrophobicContact CE2-CD2 3.71Å; Y517-L546 HydrophobicContact CE2-CG 4.23Å; Y517-L546 HydrophobicContact CG-CD1 4.28Å; Y517-I554 HydrophobicContact CD2-CD1 4.43Å; Y517-I554 HydrophobicContact CG-CD1 4.45Å
518V88.8Confident86.7Confident2 Ų212.6 Ų12.61%0.0127%0.071CC..Hα-helixtrans-96.9-27.9172.4-166.20000111.1L468 R515 V516 W522 I554 W557 L561L468-V518 HydrophobicContact CD1-CG1 3.64Å; L468-V518 HydrophobicContact CD2-CG1 4.14Å; R515-V518 WeakPolarHBondContact O-CA 3.4Å; R515-V518 PolarHBondContact O-N 3.09Å; V516-V518 PolarHBondContact O-N 2.98Å; V518-W522 PolarHBondContact O-NE1 3.49Å; V518-I554 HydrophobicContact CG2-CD1 4.26Å; V518-W557 HydrophobicContact CG2-CB 4.38Å; V518-W557 HydrophobicContact CG2-CE3 3.78Å; V518-W557 HydrophobicContact CG2-CZ3 4.49Å; V518-L561 HydrophobicContact CG1-CD1 4.19Å; V518-L561 HydrophobicContact CG1-CD2 4.23Å
519I92.2Very high86Confident0 Ų014.3 Ų14.30%09%0.088CC..Hα-helixtrans-77.3-47.3178.8-65.5164.1000111.7L445 F449 I466 F475 R515 V516 W522L445-I519 HydrophobicContact CD1-CG2 4.39Å; L445-I519 HydrophobicContact CG-CG2 4.42Å; F449-I519 HydrophobicContact CD2-CD1 4.2Å; F449-I519 HydrophobicContact CD2-CG1 4.22Å; F449-I519 HydrophobicContact CD2-CG2 3.69Å; F449-I519 HydrophobicContact CE2-CG2 3.57Å; I466-I519 HydrophobicContact CD1-CD1 4.11Å; I466-I519 HydrophobicContact CD1-CG1 3.7Å; F475-I519 HydrophobicContact CE2-CG2 4.07Å; F475-I519 HydrophobicContact CZ-CG2 4.33Å; R515-I519 HydrophobicContact CB-CD1 4.06Å; R515-I519 WeakPolarHBondContact O-CG1 3.28Å; R515-I519 PolarHBondContact O-N 3.43Å; V516-I519 PolarHBondContact O-N 2.88Å; I519-W522 VanDerWaalsContact O-CB 3.24Å; I519-W522 WeakPolarHBondContact O-CB 3.34Å; I519-W522 VanDerWaalsContact O-CD1 3.26Å; I519-W522 PolarHBondContact O-N 3.12Å; I519-W522 VanDerWaalsContact O-N 3.11Å
520L90.5Very high85.8Confident0 Ų019 Ų190%011%0.11CC..G310 helixtrans-59.6-42.5-169.9-76.9169.9000115.3L445 L496 I500 L504 V516 W522 C523 F526 F539L445-L520 HydrophobicContact CD2-CD2 3.67Å; L445-L520 HydrophobicContact CD2-CG 4.45Å; L496-L520 HydrophobicContact CD2-CD2 3.49Å; L496-L520 VanDerWaalsContact CD2-CD2 3.49Å; I500-L520 HydrophobicContact CG2-CD1 4.05Å; I500-L520 HydrophobicContact CG2-CD2 3.82Å; L504-L520 HydrophobicContact CD1-CD1 4Å; L504-L520 HydrophobicContact CD2-CD1 4.43Å; V516-L520 HydrophobicContact CB-CD1 4.4Å; V516-L520 VanDerWaalsContact O-CB 3.31Å; V516-L520 WeakPolarHBondContact O-CB 3.48Å; V516-L520 VanDerWaalsContact O-CG 3.26Å; V516-L520 WeakPolarHBondContact O-CG 3.29Å; V516-L520 PolarHBondContact O-N 2.66Å; L520-W522 PolarHBondContact O-N 3.27Å; L520-C523 WeakPolarHBondContact O-CB 3.48Å; L520-C523 PolarHBondContact O-N 3.06Å; L520-F526 HydrophobicContact CB-CE2 4.14Å; L520-F526 HydrophobicContact CB-CZ 4.06Å; L520-F526 VanDerWaalsContact O-CD2 3.26Å; L520-F526 WeakPolarHBondContact O-CD2 3.28Å; L520-F526 VanDerWaalsContact O-CE2 3.28Å; L520-F526 WeakPolarHBondContact O-CE2 3.07Å; L520-F539 HydrophobicContact CB-CD2 4.33Å; L520-F539 HydrophobicContact CB-CE2 3.89Å; L520-F539 HydrophobicContact CB-CZ 4.45Å; L520-F539 HydrophobicContact CD1-CD2 3.88Å; L520-F539 HydrophobicContact CD1-CE2 3.77Å; L520-F539 HydrophobicContact CG-CE2 4.48Å
521P84.9Confident85.4Confident10 Ų1019.5 Ų19.57%0.06511%0.11CC..G310 helixtrans-58.7-10.7177.9-26.236.2000114.8Y517 F539 W558 V569Y517-P521 WeakPolarHBondContact O-CD 3.38Å; P521-F539 HydrophobicContact CG-CE1 4.02Å; P521-F539 HydrophobicContact CG-CZ 3.9Å; P521-W558 HydrophobicContact CG-CH2 4.3Å; P521-W558 HydrophobicContact CG-CZ2 4.1Å; P521-V569 HydrophobicContact CB-CG2 4.17Å
522W85.4Confident84.3Confident4 Ų419.7 Ų19.72%0.01511%0.11CC..G310 helixtrans-85.1-23.4176.5-65.2102.9000114.9M472 F475 V518 I519 L520 H524 H565 R568M472-W522 HydrophobicContact CB-CE3 4.21Å; M472-W522 HydrophobicContact CB-CZ3 4.16Å; M472-W522 HydrophobicContact CG-CE3 4.22Å; M472-W522 HydrophobicContact CG-CZ3 3.93Å; M472-W522 HydrophobicContact SD-CZ3 4Å; F475-W522 WeakPolarHBondContact CB-O 3.39Å; F475-W522 HydrophobicContact CD2-CB 3.6Å; F475-W522 HydrophobicContact CE2-CB 3.98Å; V518-W522 PolarHBondContact O-NE1 3.49Å; I519-W522 VanDerWaalsContact O-CB 3.24Å; I519-W522 WeakPolarHBondContact O-CB 3.34Å; I519-W522 VanDerWaalsContact O-CD1 3.26Å; I519-W522 PolarHBondContact O-N 3.12Å; I519-W522 VanDerWaalsContact O-N 3.11Å; L520-W522 PolarHBondContact O-N 3.27Å; W522-H524 PolarHBondContact O-N 3.21Å; W522-H565 HydrophobicContact CH2-CB 3.39Å; W522-H565 AromaticContact CH2-CE1 4Å; W522-H565 AromaticContact CH2-CG 3.38Å; W522-H565 AromaticContact CH2-ND1 2.86Å; W522-H565 WeakPolarHBondContact CH2-ND1 3.19Å; W522-H565 HydrophobicContact CZ2-CB 3.25Å; W522-H565 AromaticContact CZ2-CG 3.37Å; W522-H565 AromaticContact CZ2-ND1 2.93Å; W522-H565 WeakPolarHBondContact CZ2-ND1 3.47Å; W522-H565 AromaticContact CZ3-ND1 3.97Å; W522-R568 HydrophobicContact CE3-CG 4.22Å; W522-R568 HydrophobicContact CH2-CB 4.37Å; W522-R568 HydrophobicContact CZ3-CB 3.94Å; W522-R568 HydrophobicContact CZ3-CG 4.07Å; W522-R568 PolarHBondContact O-NH2 3.11Å
523C89.7Confident83.1Confident1 Ų126.9 Ų26.91%0.00714%0.137CC..SBendtrans-58.8132.8176.4-175.60000109.3F475 L496 L520 A525 F526F475-C523 HydrophobicContact CD1-CB 3.99Å; F475-C523 HydrophobicContact CE1-CB 3.81Å; F475-C523 HydrophobicContact CE2-CB 4.46Å; F475-C523 HydrophobicContact CG-CB 4.4Å; F475-C523 HydrophobicContact CZ-CB 4.06Å; L496-C523 HydrophobicContact CD1-CB 4.38Å; L520-C523 WeakPolarHBondContact O-CB 3.48Å; L520-C523 PolarHBondContact O-N 3.06Å; C523-A525 PolarHBondContact O-N 3.24Å; C523-A525 VanDerWaalsContact O-N 3.16Å; C523-F526 HydrophobicContact CB-CD2 4.13Å; C523-F526 WeakPolarHBondContact O-CB 3.27Å; C523-F526 PolarHBondContact O-N 2.99Å; C523-F526 VanDerWaalsContact O-N 3.08Å
524H85.1Confident82.2Confident1 Ų129.9 Ų29.91%0.00515%0.152CC..G310 helixtrans-61.3-25.5-177.262.4-67.9000112.5E489 W522 F526 L527 F528E489-H524 IonicContact OE1-NE2 3.98Å; E489-H524 IonicContact OE2-CD2 3.81Å; E489-H524 IonicContact OE2-CE1 3.75Å; E489-H524 IonicContact OE2-NE2 3.52Å; E489-H524 PolarHBondContact OE2-NE2 3.04Å; W522-H524 PolarHBondContact O-N 3.21Å; H524-F526 PolarHBondContact O-N 3.23Å; H524-F526 VanDerWaalsContact O-N 3.12Å; H524-L527 VanDerWaalsContact O-CB 3.31Å; H524-L527 WeakPolarHBondContact O-CB 3Å; H524-L527 PolarHBondContact O-N 3.19Å; H524-F528 AromaticContact CD2-CE2 3.74Å
525A87Confident81.6Confident0 Ų029.7 Ų29.70%015%0.151CC..G310 helixtrans-54.6-29.2173.800000113.5V492 V493 L496 C523 L527 N531 I535V492-A525 HydrophobicContact CG1-CB 4.43Å; V493-A525 HydrophobicContact CG2-CB 4.39Å; L496-A525 HydrophobicContact CD1-CB 3.57Å; C523-A525 PolarHBondContact O-N 3.24Å; C523-A525 VanDerWaalsContact O-N 3.16Å; A525-L527 VanDerWaalsContact C-N 3.25Å; A525-L527 PolarHBondContact O-N 3.13Å; A525-N531 WeakPolarHBondContact O-CB 3.2Å; A525-N531 PolarHBondContact O-ND2 3.42Å; A525-N531 VanDerWaalsContact O-ND2 3.07Å; A525-I535 HydrophobicContact CB-CD1 4.03Å
526F81.1Confident80.7Confident6 Ų630 Ų303%0.02615%0.153CC..G310 helixtrans-71.8-15.5176-79.5-107000113.3L496 L520 C523 H524 I535 V536 F539 V572L496-F526 HydrophobicContact CD1-CE2 4.29Å; L520-F526 HydrophobicContact CB-CE2 4.14Å; L520-F526 HydrophobicContact CB-CZ 4.06Å; L520-F526 VanDerWaalsContact O-CD2 3.26Å; L520-F526 WeakPolarHBondContact O-CD2 3.28Å; L520-F526 VanDerWaalsContact O-CE2 3.28Å; L520-F526 WeakPolarHBondContact O-CE2 3.07Å; C523-F526 HydrophobicContact CB-CD2 4.13Å; C523-F526 WeakPolarHBondContact O-CB 3.27Å; C523-F526 PolarHBondContact O-N 2.99Å; C523-F526 VanDerWaalsContact O-N 3.08Å; H524-F526 PolarHBondContact O-N 3.23Å; H524-F526 VanDerWaalsContact O-N 3.12Å; F526-I535 HydrophobicContact CD1-CG2 4.48Å; F526-I535 HydrophobicContact CD2-CG2 3.91Å; F526-I535 HydrophobicContact CE1-CG2 4.15Å; F526-I535 HydrophobicContact CE2-CG2 3.54Å; F526-I535 HydrophobicContact CG-CG2 4.36Å; F526-I535 HydrophobicContact CZ-CG2 3.67Å; F526-V536 HydrophobicContact CB-CG2 4.4Å; F526-V536 HydrophobicContact CD1-CB 4.39Å; F526-V536 HydrophobicContact CD1-CG1 4.28Å; F526-V536 HydrophobicContact CD1-CG2 3.74Å; F526-V536 HydrophobicContact CE1-CG2 4.32Å; F526-V536 HydrophobicContact CG-CG2 4.26Å; F526-F539 HydrophobicContact CE1-CB 3.97Å; F526-F539 AromaticContact CE1-CD1 3.71Å; F526-F539 HydrophobicContact CE1-CD1 3.71Å; F526-F539 HydrophobicContact CE1-CD2 4.45Å; F526-F539 HydrophobicContact CE1-CE1 4.33Å; F526-F539 AromaticContact CE1-CG 3.77Å; F526-F539 HydrophobicContact CE1-CG 3.77Å; F526-F539 HydrophobicContact CZ-CB 4.05Å; F526-F539 HydrophobicContact CZ-CD1 4.25Å; F526-F539 HydrophobicContact CZ-CD2 4.18Å; F526-F539 AromaticContact CZ-CG 3.89Å; F526-F539 HydrophobicContact CZ-CG 3.89Å; F526-V572 WeakPolarHBondContact O-CG1 3.41Å
527L74.5Confident79.6Confident35 Ų3532.9 Ų32.918%0.18317%0.17CC..G310 helixtrans-86.8-15.9-178.3-66.4165.4000113.7H524 A525 V572H524-L527 VanDerWaalsContact O-CB 3.31Å; H524-L527 WeakPolarHBondContact O-CB 3Å; H524-L527 PolarHBondContact O-N 3.19Å; A525-L527 VanDerWaalsContact C-N 3.25Å; A525-L527 PolarHBondContact O-N 3.13Å; L527-V572 HydrophobicContact CD2-CG2 3.44Å; L527-V572 VanDerWaalsContact CD2-CG2 3.44Å; L527-V572 HydrophobicContact CG-CG2 4.17Å
528F72.4Confident78.8Confident86 Ų8634.9 Ų34.938%0.37718%0.184SC..  trans-92.3130.7-177.2-58.5-61.8000110.8H524 D530 N531H524-F528 AromaticContact CD2-CE2 3.74Å; F528-D530 PolarHBondContact O-N 3.47Å; F528-N531 PolarHBondContact O-N 3.22Å
529A67.3Low78.4Confident65 Ų6535 Ų3554%0.53718%0.184SC..G310 helixtrans-62.4-34.4-177.600000112.2N531 Y532 T576A529-N531 VanDerWaalsContact C-N 3.26Å; A529-N531 PolarHBondContact O-N 3.41Å; A529-Y532 WeakPolarHBondContact O-CB 3.29Å; A529-Y532 PolarHBondContact O-N 3.26Å; A529-Y532 VanDerWaalsContact O-N 3.14Å; A529-T576 HydrophobicContact CB-CG2 4.11Å
530D73.9Confident77.5Confident150 Ų15035.5 Ų35.580%0.80219%0.189SC*.G310 helixtrans-64.4-31.6-177.9-56.7-25.7000112.3F528 Y532F528-D530 PolarHBondContact O-N 3.47Å; D530-Y532 VanDerWaalsContact C-N 3.29Å; D530-Y532 PolarHBondContact O-N 3.23Å
531N76.6Confident76.5Confident24 Ų2439.3 Ų39.313%0.12821%0.214CC..G310 helixtrans-81-8.6179.8-69.6-16.5000113.1A525 F528 A529 R533 N534 I535A525-N531 WeakPolarHBondContact O-CB 3.2Å; A525-N531 PolarHBondContact O-ND2 3.42Å; A525-N531 VanDerWaalsContact O-ND2 3.07Å; F528-N531 PolarHBondContact O-N 3.22Å; A529-N531 VanDerWaalsContact C-N 3.26Å; A529-N531 PolarHBondContact O-N 3.41Å; N531-R533 PolarHBondContact O-N 2.66Å; N531-N534 PolarHBondContact O-N 2.89Å; N531-I535 HydrophobicContact CB-CB 4.44Å; N531-I535 HydrophobicContact CB-CD1 4.01Å; N531-I535 HydrophobicContact CB-CG1 4.33Å; N531-I535 VanDerWaalsContact O-CB 3.31Å; N531-I535 WeakPolarHBondContact O-CB 3.37Å; N531-I535 PolarHBondContact O-N 3Å
532Y67.9Low76Confident15 Ų1540 Ų406%0.05922%0.219CC..Iπ-helixtrans-62.3-43.1-167.4-161.2-96.2000113.5A529 D530 N534 V536 V537 T576 T578 I579A529-Y532 WeakPolarHBondContact O-CB 3.29Å; A529-Y532 PolarHBondContact O-N 3.26Å; A529-Y532 VanDerWaalsContact O-N 3.14Å; D530-Y532 VanDerWaalsContact C-N 3.29Å; D530-Y532 PolarHBondContact O-N 3.23Å; Y532-N534 VanDerWaalsContact C-N 3.31Å; Y532-N534 PolarHBondContact O-N 3.32Å; Y532-V536 HydrophobicContact CD2-CB 3.57Å; Y532-V536 HydrophobicContact CD2-CG1 3.86Å; Y532-V536 HydrophobicContact CD2-CG2 3.65Å; Y532-V536 HydrophobicContact CE2-CB 3.86Å; Y532-V536 HydrophobicContact CE2-CG1 3.59Å; Y532-V536 HydrophobicContact CE2-CG2 4.22Å; Y532-V536 HydrophobicContact CG-CB 3.99Å; Y532-V536 HydrophobicContact CG-CG2 4.28Å; Y532-V536 PolarHBondContact O-N 3.41Å; Y532-V536 VanDerWaalsContact O-N 3.12Å; Y532-V537 HydrophobicContact CD1-CG2 3.72Å; Y532-V537 HydrophobicContact CE1-CG2 3.76Å; Y532-V537 PolarHBondContact O-N 3.43Å; Y532-T576 HydrophobicContact CD2-CG2 3.82Å; Y532-T576 HydrophobicContact CE2-CG2 4.09Å; Y532-T576 WeakPolarHBondContact CE2-OG1 3.41Å; Y532-T576 HydrophobicContact CG-CG2 4.5Å; Y532-T578 WeakPolarHBondContact CE1-OG1 3.4Å; Y532-T578 PolarHBondContact OH-OG1 3.24Å; Y532-I579 HydrophobicContact CE1-CD1 3.97Å; Y532-I579 HydrophobicContact CE1-CG1 3.87Å; Y532-I579 HydrophobicContact CE2-CD1 4.07Å; Y532-I579 VanDerWaalsContact CZ-CD1 3.4Å; Y532-I579 VanDerWaalsContact OH-CB 3.22Å; Y532-I579 WeakPolarHBondContact OH-CB 3.35Å; Y532-I579 WeakPolarHBondContact OH-CD1 3.45Å; Y532-I579 WeakPolarHBondContact OH-CG1 3.1Å; Y532-I579 PolarHBondContact OH-N 3.25Å
533R66.6Low75.5Confident152 Ų15240.3 Ų40.357%0.57422%0.221SC*.Iπ-helixtrans-63.1-38.2-179.4-177.5-178.5176167.8-1.1112N531 P538N531-R533 PolarHBondContact O-N 2.66Å; R533-P538 VanDerWaalsContact O-CD 3.23Å; R533-P538 WeakPolarHBondContact O-CD 3.5Å
534N74.6Confident74.6Confident68 Ų6844.5 Ų44.536%0.36425%0.246SC..Iπ-helixtrans-101.4-19.7-169.5-62.44.3000113E497 N531 Y532 P538E497-N534 HydrophobicContact CG-CB 4.08Å; E497-N534 WeakPolarHBondContact OE1-CB 3.47Å; E497-N534 VanDerWaalsContact OE1-CG 3.3Å; E497-N534 PolarHBondContact OE1-ND2 3.1Å; N531-N534 PolarHBondContact O-N 2.89Å; Y532-N534 VanDerWaalsContact C-N 3.31Å; Y532-N534 PolarHBondContact O-N 3.32Å; N534-P538 WeakPolarHBondContact O-CG 3.32Å
535I80.3Confident74.1Confident1 Ų147 Ų471%0.00527%0.267CS..Iπ-helixtrans-114.2-61-178.7-62.5-172.7000110.6V493 L496 I501 A525 F526 N531 F539V493-I535 HydrophobicContact CB-CD1 4.47Å; V493-I535 HydrophobicContact CG1-CD1 4.02Å; L496-I535 HydrophobicContact CB-CD1 3.88Å; L496-I535 HydrophobicContact CB-CG1 4.32Å; L496-I535 HydrophobicContact CD1-CD1 3.92Å; L496-I535 HydrophobicContact CD1-CG2 4.25Å; I501-I535 HydrophobicContact CD1-CB 4.13Å; I501-I535 HydrophobicContact CD1-CG2 3.65Å; I501-I535 WeakPolarHBondContact CD1-O 3.43Å; A525-I535 HydrophobicContact CB-CD1 4.03Å; F526-I535 HydrophobicContact CD1-CG2 4.48Å; F526-I535 HydrophobicContact CD2-CG2 3.91Å; F526-I535 HydrophobicContact CE1-CG2 4.15Å; F526-I535 HydrophobicContact CE2-CG2 3.54Å; F526-I535 HydrophobicContact CG-CG2 4.36Å; F526-I535 HydrophobicContact CZ-CG2 3.67Å; N531-I535 HydrophobicContact CB-CB 4.44Å; N531-I535 HydrophobicContact CB-CD1 4.01Å; N531-I535 HydrophobicContact CB-CG1 4.33Å; N531-I535 VanDerWaalsContact O-CB 3.31Å; N531-I535 WeakPolarHBondContact O-CB 3.37Å; N531-I535 PolarHBondContact O-N 3Å; I535-F539 WeakPolarHBondContact O-CB 3.26Å; I535-F539 PolarHBondContact O-N 3.33Å
536V73.9Confident73.5Confident7 Ų747.6 Ų47.64%0.04227%0.27CS..Iπ-helixtrans-72.1-42.7-168.2-170.50000112.1F526 Y532 A540 I579F526-V536 HydrophobicContact CB-CG2 4.4Å; F526-V536 HydrophobicContact CD1-CB 4.39Å; F526-V536 HydrophobicContact CD1-CG1 4.28Å; F526-V536 HydrophobicContact CD1-CG2 3.74Å; F526-V536 HydrophobicContact CE1-CG2 4.32Å; F526-V536 HydrophobicContact CG-CG2 4.26Å; Y532-V536 HydrophobicContact CD2-CB 3.57Å; Y532-V536 HydrophobicContact CD2-CG1 3.86Å; Y532-V536 HydrophobicContact CD2-CG2 3.65Å; Y532-V536 HydrophobicContact CE2-CB 3.86Å; Y532-V536 HydrophobicContact CE2-CG1 3.59Å; Y532-V536 HydrophobicContact CE2-CG2 4.22Å; Y532-V536 HydrophobicContact CG-CB 3.99Å; Y532-V536 HydrophobicContact CG-CG2 4.28Å; Y532-V536 PolarHBondContact O-N 3.41Å; Y532-V536 VanDerWaalsContact O-N 3.12Å; V536-A540 WeakPolarHBondContact O-CB 3.37Å; V536-A540 PolarHBondContact O-N 3.28Å; V536-I579 HydrophobicContact CG1-CD1 3.72Å
537V69.7Low73.2Confident61 Ų6148.2 Ų48.237%0.3728%0.278SS..Hα-helixtrans-65.5-50.9178.5170.20000111.5Y532 F539 A540 C541Y532-V537 HydrophobicContact CD1-CG2 3.72Å; Y532-V537 HydrophobicContact CE1-CG2 3.76Å; Y532-V537 PolarHBondContact O-N 3.43Å; V537-F539 VanDerWaalsContact C-N 3.33Å; V537-F539 PolarHBondContact O-N 2.94Å; V537-A540 WeakPolarHBondContact O-CB 3.32Å; V537-A540 PolarHBondContact O-N 3.02Å; V537-A540 VanDerWaalsContact O-N 3.13Å; V537-C541 PolarHBondContact O-N 2.84Å; V537-C541 PolarHBondContact O-SG 3.34Å; V537-C541 VanDerWaalsContact O-SG 3.35Å
538P71.8Confident73.3Confident45 Ų4550.5 Ų50.529%0.29230%0.302SS..Hα-helixtrans-59.4-41.6175.7-29.139.5000112.8I501 R533 N534 A540 C541 C542I501-P538 HydrophobicContact CG2-CB 3.78Å; R533-P538 VanDerWaalsContact O-CD 3.23Å; R533-P538 WeakPolarHBondContact O-CD 3.5Å; N534-P538 WeakPolarHBondContact O-CG 3.32Å; P538-A540 VanDerWaalsContact C-N 3.35Å; P538-A540 PolarHBondContact O-N 3.12Å; P538-C541 WeakPolarHBondContact O-CB 3.49Å; P538-C541 PolarHBondContact O-N 3.44Å; P538-C542 PolarHBondContact O-N 3.44Å; P538-C542 PolarHBondContact O-SG 3.14Å; P538-C542 VanDerWaalsContact O-SG 3.33Å
539F81.5Confident73.5Confident4 Ų449.1 Ų49.12%0.01830%0.298CS..Hα-helixtrans-58.8-44.2173.5172.7-97.4000112.3I501 L504 Y517 L520 P521 F526 I535 V537 C541 C542 F543I501-F539 HydrophobicContact CD1-CB 4.25Å; I501-F539 HydrophobicContact CG1-CB 4.48Å; L504-F539 HydrophobicContact CD1-CD2 3.86Å; L504-F539 HydrophobicContact CD1-CE2 4.28Å; Y517-F539 AromaticContact CD1-CE2 3.64Å; Y517-F539 HydrophobicContact CD1-CE2 3.64Å; Y517-F539 AromaticContact CD1-CZ 3.93Å; Y517-F539 HydrophobicContact CD1-CZ 3.93Å; Y517-F539 HydrophobicContact CE1-CE2 4.31Å; Y517-F539 HydrophobicContact CG-CE2 4.49Å; L520-F539 HydrophobicContact CB-CD2 4.33Å; L520-F539 HydrophobicContact CB-CE2 3.89Å; L520-F539 HydrophobicContact CB-CZ 4.45Å; L520-F539 HydrophobicContact CD1-CD2 3.88Å; L520-F539 HydrophobicContact CD1-CE2 3.77Å; L520-F539 HydrophobicContact CG-CE2 4.48Å; P521-F539 HydrophobicContact CG-CE1 4.02Å; P521-F539 HydrophobicContact CG-CZ 3.9Å; F526-F539 HydrophobicContact CE1-CB 3.97Å; F526-F539 AromaticContact CE1-CD1 3.71Å; F526-F539 HydrophobicContact CE1-CD1 3.71Å; F526-F539 HydrophobicContact CE1-CD2 4.45Å; F526-F539 HydrophobicContact CE1-CE1 4.33Å; F526-F539 AromaticContact CE1-CG 3.77Å; F526-F539 HydrophobicContact CE1-CG 3.77Å; F526-F539 HydrophobicContact CZ-CB 4.05Å; F526-F539 HydrophobicContact CZ-CD1 4.25Å; F526-F539 HydrophobicContact CZ-CD2 4.18Å; F526-F539 AromaticContact CZ-CG 3.89Å; F526-F539 HydrophobicContact CZ-CG 3.89Å; I535-F539 WeakPolarHBondContact O-CB 3.26Å; I535-F539 PolarHBondContact O-N 3.33Å; V537-F539 VanDerWaalsContact C-N 3.33Å; V537-F539 PolarHBondContact O-N 2.94Å; F539-C541 VanDerWaalsContact C-N 3.33Å; F539-C541 PolarHBondContact O-N 3.26Å; F539-C542 PolarHBondContact O-N 3.32Å; F539-F543 HydrophobicContact CE1-CD2 4.35Å; F539-F543 HydrophobicContact CZ-CD2 4.17Å; F539-F543 WeakPolarHBondContact O-CB 3.33Å; F539-F543 PolarHBondContact O-N 3.33Å
540A72.5Confident74.2Confident11 Ų1146.7 Ų46.79%0.09128%0.278CS..Hα-helixtrans-63.1-38.817700000112V536 V537 P538 F543 V544 I579 F584V536-A540 WeakPolarHBondContact O-CB 3.37Å; V536-A540 PolarHBondContact O-N 3.28Å; V537-A540 WeakPolarHBondContact O-CB 3.32Å; V537-A540 PolarHBondContact O-N 3.02Å; V537-A540 VanDerWaalsContact O-N 3.13Å; P538-A540 VanDerWaalsContact C-N 3.35Å; P538-A540 PolarHBondContact O-N 3.12Å; A540-F543 WeakPolarHBondContact O-CB 3.2Å; A540-F543 PolarHBondContact O-N 3.42Å; A540-V544 WeakPolarHBondContact O-CG2 3.45Å; A540-V544 PolarHBondContact O-N 2.77Å; A540-I579 HydrophobicContact CB-CD1 4.32Å; A540-F584 HydrophobicContact CB-CE2 3.66Å; A540-F584 HydrophobicContact CB-CZ 3.83Å
541C70.7Confident74.5Confident79 Ų7944.2 Ų44.253%0.53426%0.258SS..Hα-helixtrans-60.8-47.2173.3-66.50000111.4V537 P538 F539 F543 V544 A545V537-C541 PolarHBondContact O-N 2.84Å; V537-C541 PolarHBondContact O-SG 3.34Å; V537-C541 VanDerWaalsContact O-SG 3.35Å; P538-C541 WeakPolarHBondContact O-CB 3.49Å; P538-C541 PolarHBondContact O-N 3.44Å; F539-C541 VanDerWaalsContact C-N 3.33Å; F539-C541 PolarHBondContact O-N 3.26Å; C541-F543 VanDerWaalsContact C-N 3.31Å; C541-F543 PolarHBondContact O-N 3.02Å; C541-V544 PolarHBondContact O-N 3.31Å; C541-A545 WeakPolarHBondContact O-CB 3.21Å; C541-A545 PolarHBondContact O-N 3.3Å
542C74.5Confident74.9Confident26 Ų2649 Ų4918%0.17627%0.274CS..Hα-helixtrans-59.4-42.2174.5-63.80000111.7L504 Y517 P538 F539 A545 L546L504-C542 HydrophobicContact CB-CB 3.95Å; L504-C542 HydrophobicContact CD1-CB 4.08Å; Y517-C542 HydrophobicContact CE1-CB 4.21Å; P538-C542 PolarHBondContact O-N 3.44Å; P538-C542 PolarHBondContact O-SG 3.14Å; P538-C542 VanDerWaalsContact O-SG 3.33Å; F539-C542 PolarHBondContact O-N 3.32Å; C542-A545 PolarHBondContact O-N 3.44Å; C542-L546 PolarHBondContact O-N 2.75Å
543F73.9Confident75.8Confident10 Ų1049.2 Ų49.24%0.04428%0.276CS..Hα-helixtrans-63.3-41.6179.3-168-85.8000112.5Y517 F539 A540 C541 L546 I554 W558Y517-F543 HydrophobicContact CD1-CB 4.31Å; Y517-F543 AromaticContact CD1-CD2 3.63Å; Y517-F543 HydrophobicContact CD1-CD2 3.63Å; Y517-F543 HydrophobicContact CD1-CE2 4.47Å; Y517-F543 HydrophobicContact CD1-CG 4.41Å; Y517-F543 HydrophobicContact CE1-CB 4.3Å; Y517-F543 HydrophobicContact CE1-CD2 4.37Å; Y517-F543 HydrophobicContact CG-CD2 4.19Å; F539-F543 HydrophobicContact CE1-CD2 4.35Å; F539-F543 HydrophobicContact CZ-CD2 4.17Å; F539-F543 WeakPolarHBondContact O-CB 3.33Å; F539-F543 PolarHBondContact O-N 3.33Å; A540-F543 WeakPolarHBondContact O-CB 3.2Å; A540-F543 PolarHBondContact O-N 3.42Å; C541-F543 VanDerWaalsContact C-N 3.31Å; C541-F543 PolarHBondContact O-N 3.02Å; F543-L546 WeakPolarHBondContact O-CB 3.46Å; F543-L546 PolarHBondContact O-N 3.18Å; F543-I554 HydrophobicContact CE1-CG2 4.44Å; F543-I554 HydrophobicContact CE2-CG2 3.53Å; F543-I554 HydrophobicContact CZ-CG2 3.37Å; F543-W558 HydrophobicContact CE2-CZ2 4.23Å
544V71.3Confident76.8Confident89 Ų8942 Ų4254%0.53925%0.249SC..Hα-helixtrans-73.7-28.6177.7173.60000111.9A540 C541 L546A540-V544 WeakPolarHBondContact O-CG2 3.45Å; A540-V544 PolarHBondContact O-N 2.77Å; C541-V544 PolarHBondContact O-N 3.31Å; V544-L546 PolarHBondContact O-N 2.7Å
545A73.3Confident77.2Confident54 Ų5442.1 Ų42.145%0.44624%0.244SC..THydrogen-bonded Turntrans-73.5-10.4177.200000113.9A506 C541 C542 G547A506-A545 HydrophobicContact CB-CB 4.17Å; A506-A545 WeakPolarHBondContact CB-O 3.19Å; C541-A545 WeakPolarHBondContact O-CB 3.21Å; C541-A545 PolarHBondContact O-N 3.3Å; C542-A545 PolarHBondContact O-N 3.44Å; A545-G547 PolarHBondContact O-N 3.07Å
546L76.1Confident77.6Confident12 Ų1243.4 Ų43.46%0.06325%0.252CS..SBendtrans-58.7134178.9-74.5176.5000112P508 L514 Y517 C542 F543 V544 A550 I554P508-L546 HydrophobicContact CG-CD2 4.15Å; L514-L546 HydrophobicContact CD2-CD1 4.48Å; L514-L546 HydrophobicContact CD2-CD2 4.16Å; Y517-L546 HydrophobicContact CD1-CD1 4.36Å; Y517-L546 HydrophobicContact CD2-CD1 4.07Å; Y517-L546 HydrophobicContact CE1-CD1 4.16Å; Y517-L546 HydrophobicContact CE1-CG 4.44Å; Y517-L546 HydrophobicContact CE2-CD1 3.91Å; Y517-L546 HydrophobicContact CE2-CD2 3.71Å; Y517-L546 HydrophobicContact CE2-CG 4.23Å; Y517-L546 HydrophobicContact CG-CD1 4.28Å; C542-L546 PolarHBondContact O-N 2.75Å; F543-L546 WeakPolarHBondContact O-CB 3.46Å; F543-L546 PolarHBondContact O-N 3.18Å; V544-L546 PolarHBondContact O-N 2.7Å; L546-A550 HydrophobicContact CB-CB 4.15Å; L546-A550 HydrophobicContact CD2-CB 4.07Å; L546-I554 HydrophobicContact CD1-CG1 4.14Å
547G73.5Confident78.4Confident18 Ų1843.3 Ų43.319%0.18625%0.251CS..  trans-59.3157.9173.500000113.3A506 A545 N549 A550 W551A506-G547 PolarHBondContact O-N 3.18Å; A545-G547 PolarHBondContact O-N 3.07Å; G547-N549 VanDerWaalsContact C-N 3.27Å; G547-N549 PolarHBondContact O-N 3.31Å; G547-N549 VanDerWaalsContact O-N 3.11Å; G547-A550 WeakPolarHBondContact O-CB 3.42Å; G547-A550 PolarHBondContact O-N 3.12Å; G547-W551 PolarHBondContact O-N 3.34Å
548A76.8Confident79.1Confident84 Ų8441 Ų4169%0.69424%0.236SC*.Hα-helixtrans-53.6-38.5-172.400000114.2R552A548-R552 WeakPolarHBondContact O-CB 3.49Å; A548-R552 PolarHBondContact O-N 3.31Å
549N76.3Confident79.6Confident56 Ų5641.3 Ų41.330%0.29923%0.233SC..Hα-helixtrans-69.2-43.8178-80.6-41.1000113.2G547 W551 R552 I553 E878G547-N549 VanDerWaalsContact C-N 3.27Å; G547-N549 PolarHBondContact O-N 3.31Å; G547-N549 VanDerWaalsContact O-N 3.11Å; N549-W551 VanDerWaalsContact C-N 3.32Å; N549-R552 PolarHBondContact O-N 3.09Å; N549-I553 WeakPolarHBondContact O-CG1 3.24Å; N549-I553 PolarHBondContact O-N 3.08Å; N549-I553 VanDerWaalsContact O-N 3.17Å; N549-E878 WeakPolarHBondContact ND2-CG 3.38Å; N549-E878 PolarHBondContact ND2-OE1 3.48Å
550A83.4Confident79.7Confident14 Ų1446.3 Ų46.312%0.11626%0.255CS..Hα-helixtrans-60.6-45.2174.300000110.5L514 L546 G547 R552 I553 I554L514-A550 HydrophobicContact CD1-CB 4.13Å; L514-A550 HydrophobicContact CD2-CB 3.69Å; L546-A550 HydrophobicContact CB-CB 4.15Å; L546-A550 HydrophobicContact CD2-CB 4.07Å; G547-A550 WeakPolarHBondContact O-CB 3.42Å; G547-A550 PolarHBondContact O-N 3.12Å; A550-R552 PolarHBondContact O-N 3.09Å; A550-I553 WeakPolarHBondContact O-CB 3.39Å; A550-I553 PolarHBondContact O-N 2.97Å; A550-I554 WeakPolarHBondContact O-CG1 3.06Å; A550-I554 PolarHBondContact O-N 3.09Å
551W80.1Confident80.2Confident98 Ų9846.5 Ų46.537%0.37125%0.254SS..Hα-helixtrans-60.1-43.7177.4-171.691.3000112.4G547 N549 I553 I554 R555G547-W551 PolarHBondContact O-N 3.34Å; N549-W551 VanDerWaalsContact C-N 3.32Å; W551-I553 VanDerWaalsContact C-N 3.3Å; W551-I553 PolarHBondContact O-N 3.26Å; W551-I554 PolarHBondContact O-N 3.08Å; W551-R555 HydrophobicContact CE3-CB 4.49Å; W551-R555 HydrophobicContact CH2-CG 4.43Å; W551-R555 HydrophobicContact CZ3-CB 4.46Å; W551-R555 WeakPolarHBondContact O-CB 3.19Å; W551-R555 PolarHBondContact O-N 2.87Å
552R83.6Confident80.6Confident124 Ų12445.8 Ų45.847%0.46825%0.249SC..Hα-helixtrans-58.1-41.1175.5-176.3-177.359.974.50.5112.3A548 N549 A550 T556A548-R552 WeakPolarHBondContact O-CB 3.49Å; A548-R552 PolarHBondContact O-N 3.31Å; N549-R552 PolarHBondContact O-N 3.09Å; A550-R552 PolarHBondContact O-N 3.09Å; R552-T556 PolarHBondContact O-N 3.12Å; R552-T556 PolarHBondContact O-OG1 2.89Å
553I88.4Confident80.6Confident21 Ų2147.4 Ų47.411%0.10826%0.258CS..Hα-helixtrans-66.8-51.3177.6-65164.1000110.4P461 I511 L514 N549 A550 W551 R555 T556 W557P461-I553 HydrophobicContact CG-CG1 4.23Å; I511-I553 HydrophobicContact CD1-CD1 3.96Å; I511-I553 HydrophobicContact CD1-CG1 4.37Å; I511-I553 HydrophobicContact CD1-CG2 3.79Å; I511-I553 HydrophobicContact CG1-CD1 4.09Å; I511-I553 HydrophobicContact CG1-CG2 3.91Å; L514-I553 HydrophobicContact CD1-CB 3.98Å; L514-I553 HydrophobicContact CD1-CD1 3.87Å; L514-I553 HydrophobicContact CD1-CG2 3.91Å; N549-I553 WeakPolarHBondContact O-CG1 3.24Å; N549-I553 PolarHBondContact O-N 3.08Å; N549-I553 VanDerWaalsContact O-N 3.17Å; A550-I553 WeakPolarHBondContact O-CB 3.39Å; A550-I553 PolarHBondContact O-N 2.97Å; W551-I553 VanDerWaalsContact C-N 3.3Å; W551-I553 PolarHBondContact O-N 3.26Å; I553-R555 VanDerWaalsContact C-N 3.35Å; I553-R555 PolarHBondContact O-N 3.33Å; I553-T556 WeakPolarHBondContact O-CB 2.93Å; I553-T556 PolarHBondContact O-N 3.22Å; I553-T556 VanDerWaalsContact O-N 3.11Å; I553-W557 HydrophobicContact CG2-CD2 3.96Å; I553-W557 HydrophobicContact CG2-CE3 4.29Å; I553-W557 HydrophobicContact CG2-CH2 4.13Å; I553-W557 HydrophobicContact CG2-CZ2 3.76Å; I553-W557 HydrophobicContact CG2-CZ3 4.36Å; I553-W557 PolarHBondContact O-N 3.5Å
554I87.2Confident80.7Confident1 Ų153.2 Ų53.21%0.00528%0.28CS..Hα-helixtrans-57.6-47.3179.6-71.8-64.7000110.9L514 Y517 V518 F543 L546 A550 W551 T556 W557 W558L514-I554 HydrophobicContact CB-CD1 3.9Å; L514-I554 HydrophobicContact CB-CG1 4.49Å; L514-I554 HydrophobicContact CD2-CD1 4.48Å; L514-I554 HydrophobicContact CD2-CG1 4.32Å; L514-I554 WeakPolarHBondContact O-CD1 3.24Å; Y517-I554 HydrophobicContact CD2-CD1 4.43Å; Y517-I554 HydrophobicContact CG-CD1 4.45Å; V518-I554 HydrophobicContact CG2-CD1 4.26Å; F543-I554 HydrophobicContact CE1-CG2 4.44Å; F543-I554 HydrophobicContact CE2-CG2 3.53Å; F543-I554 HydrophobicContact CZ-CG2 3.37Å; L546-I554 HydrophobicContact CD1-CG1 4.14Å; A550-I554 WeakPolarHBondContact O-CG1 3.06Å; A550-I554 PolarHBondContact O-N 3.09Å; W551-I554 PolarHBondContact O-N 3.08Å; I554-T556 VanDerWaalsContact C-N 3.28Å; I554-T556 PolarHBondContact O-N 2.93Å; I554-W557 HydrophobicContact CD1-CE3 3.93Å; I554-W557 HydrophobicContact CD1-CZ3 4.17Å; I554-W557 PolarHBondContact O-N 3.03Å; I554-W557 VanDerWaalsContact O-N 3.1Å; I554-W558 PolarHBondContact O-N 3.42Å
555R83Confident80.7Confident69 Ų6949.2 Ų49.226%0.2626%0.255SS..Hα-helixtrans-53.7-46.7175.2-176.6-175.2-174.8169.45.3111.4W551 I553 W557 W558 Q559 I586 E588W551-R555 HydrophobicContact CE3-CB 4.49Å; W551-R555 HydrophobicContact CH2-CG 4.43Å; W551-R555 HydrophobicContact CZ3-CB 4.46Å; W551-R555 WeakPolarHBondContact O-CB 3.19Å; W551-R555 PolarHBondContact O-N 2.87Å; I553-R555 VanDerWaalsContact C-N 3.35Å; I553-R555 PolarHBondContact O-N 3.33Å; R555-W557 VanDerWaalsContact C-N 3.34Å; R555-W557 PolarHBondContact O-N 3.02Å; R555-W558 PolarHBondContact O-N 2.88Å; R555-Q559 HydrophobicContact CG-CG 4.42Å; R555-Q559 WeakPolarHBondContact O-CB 3.34Å; R555-Q559 VanDerWaalsContact O-CG 3.24Å; R555-Q559 WeakPolarHBondContact O-CG 3.24Å; R555-Q559 PolarHBondContact O-N 3.38Å; R555-I586 HydrophobicContact CG-CG2 3.91Å; R555-E588 IonicContact CZ-OE1 3.28Å; R555-E588 IonicContact CZ-OE2 3.99Å; R555-E588 IonicContact NE-OE1 2.84Å; R555-E588 IonicContact NE-OE2 3.17Å; R555-E588 PolarHBondContact NE-OE2 3.28Å; R555-E588 VanDerWaalsContact NE-OE2 3.14Å; R555-E588 IonicContact NH2-OE1 3.81Å; R555-E588 PolarHBondContact NH2-OE1 2.95Å; R555-E588 IonicContact NH2-OE2 3.08Å; R555-E588 PolarHBondContact NH2-OE2 2.85Å
556T88Confident80.4Confident29 Ų2947.2 Ų47.218%0.17824%0.237CC..Hα-helixtrans-61.3-42.6178.8-52.70000111.6P461 R552 I553 I554 K560P461-T556 HydrophobicContact CB-CG2 4.14Å; P461-T556 VanDerWaalsContact O-CG2 3.22Å; P461-T556 WeakPolarHBondContact O-CG2 2.86Å; R552-T556 PolarHBondContact O-N 3.12Å; R552-T556 PolarHBondContact O-OG1 2.89Å; I553-T556 WeakPolarHBondContact O-CB 2.93Å; I553-T556 PolarHBondContact O-N 3.22Å; I553-T556 VanDerWaalsContact O-N 3.11Å; I554-T556 VanDerWaalsContact C-N 3.28Å; I554-T556 PolarHBondContact O-N 2.93Å; T556-K560 HydrophobicContact CG2-CD 4.35Å; T556-K560 WeakPolarHBondContact O-CG 3.45Å; T556-K560 PolarHBondContact O-N 2.9Å
557W90.5Very high80Confident4 Ų450.2 Ų50.22%0.01525%0.253CS..Hα-helixtrans-65.6-46.5177.9-69.2-11.3000112.1V459 S460 P461 V464 I511 L514 R515 V518 I553 I554 R555 K560 L561V459-W557 HydrophobicContact CG1-CZ2 4.12Å; S460-W557 PolarHBondContact O-NE1 3Å; P461-W557 PolarHBondContact O-NE1 3.19Å; V464-W557 HydrophobicContact CB-CD2 4.33Å; V464-W557 HydrophobicContact CB-CZ2 4.45Å; V464-W557 HydrophobicContact CG1-CD2 3.85Å; V464-W557 HydrophobicContact CG1-CE3 3.86Å; V464-W557 HydrophobicContact CG1-CG 4.45Å; V464-W557 HydrophobicContact CG1-CH2 4.03Å; V464-W557 HydrophobicContact CG1-CZ2 4.03Å; V464-W557 HydrophobicContact CG1-CZ3 3.96Å; V464-W557 HydrophobicContact CG2-CB 4.13Å; V464-W557 HydrophobicContact CG2-CD2 3.85Å; V464-W557 HydrophobicContact CG2-CG 3.62Å; I511-W557 HydrophobicContact CD1-CZ2 3.97Å; I511-W557 HydrophobicContact CG1-CH2 3.88Å; I511-W557 HydrophobicContact CG1-CZ2 3.72Å; I511-W557 WeakPolarHBondContact O-CH2 3.08Å; L514-W557 HydrophobicContact CB-CH2 3.99Å; L514-W557 HydrophobicContact CB-CZ3 3.62Å; R515-W557 HydrophobicContact CG-CH2 4.17Å; R515-W557 HydrophobicContact CG-CZ3 4.34Å; V518-W557 HydrophobicContact CG2-CB 4.38Å; V518-W557 HydrophobicContact CG2-CE3 3.78Å; V518-W557 HydrophobicContact CG2-CZ3 4.49Å; I553-W557 HydrophobicContact CG2-CD2 3.96Å; I553-W557 HydrophobicContact CG2-CE3 4.29Å; I553-W557 HydrophobicContact CG2-CH2 4.13Å; I553-W557 HydrophobicContact CG2-CZ2 3.76Å; I553-W557 HydrophobicContact CG2-CZ3 4.36Å; I553-W557 PolarHBondContact O-N 3.5Å; I554-W557 HydrophobicContact CD1-CE3 3.93Å; I554-W557 HydrophobicContact CD1-CZ3 4.17Å; I554-W557 PolarHBondContact O-N 3.03Å; I554-W557 VanDerWaalsContact O-N 3.1Å; R555-W557 VanDerWaalsContact C-N 3.34Å; R555-W557 PolarHBondContact O-N 3.02Å; W557-K560 PolarHBondContact O-N 3.29Å; W557-K560 VanDerWaalsContact O-N 3.12Å; W557-L561 PolarHBondContact O-N 2.97Å
558W84.6Confident79.6Confident13 Ų1351.9 Ų51.95%0.04925%0.254CS..Hα-helixtrans-62.8-43.7178.7-82.263.1000112.4P521 F543 I554 R555 K560 L561 V569 I586P521-W558 HydrophobicContact CG-CH2 4.3Å; P521-W558 HydrophobicContact CG-CZ2 4.1Å; F543-W558 HydrophobicContact CE2-CZ2 4.23Å; I554-W558 PolarHBondContact O-N 3.42Å; R555-W558 PolarHBondContact O-N 2.88Å; W558-K560 PolarHBondContact O-N 3.22Å; W558-L561 HydrophobicContact CD2-CD1 4.48Å; W558-L561 HydrophobicContact CG-CD1 4.4Å; W558-L561 WeakPolarHBondContact O-CB 3.21Å; W558-L561 PolarHBondContact O-N 2.84Å; W558-L561 VanDerWaalsContact O-N 3.09Å; W558-V569 HydrophobicContact CH2-CG1 4.06Å; W558-V569 HydrophobicContact CH2-CG2 4.09Å; W558-V569 HydrophobicContact CZ3-CB 4.43Å; W558-V569 HydrophobicContact CZ3-CG1 4Å; W558-V569 HydrophobicContact CZ3-CG2 4.1Å; W558-I586 HydrophobicContact CB-CD1 3.92Å; W558-I586 HydrophobicContact CG-CD1 4.42Å
559Q82.2Confident78.8Confident52 Ų5249.6 Ų49.624%0.24323%0.231CC..Hα-helixtrans-58.4-31.3174.3-76.6173.5-9.800112.6R555 I586 E588 K592R555-Q559 HydrophobicContact CG-CG 4.42Å; R555-Q559 WeakPolarHBondContact O-CB 3.34Å; R555-Q559 VanDerWaalsContact O-CG 3.24Å; R555-Q559 WeakPolarHBondContact O-CG 3.24Å; R555-Q559 PolarHBondContact O-N 3.38Å; Q559-I586 HydrophobicContact CG-CG2 4.08Å; Q559-E588 HydrophobicContact CG-CB 4.2Å; Q559-E588 PolarHBondContact NE2-OE2 3.29Å; Q559-K592 WeakPolarHBondContact O-CE 3.46Å; Q559-K592 PolarHBondContact O-NZ 3.5Å
560K84.6Confident78.1Confident109 Ų10948 Ų4847%0.47422%0.222SC..Hα-helixtrans-85.8-8.5-179.8-72.9178.6179-175.60113.9N462 T556 W557 W558N462-K560 PolarHBondContact OD1-NZ 3.48Å; T556-K560 HydrophobicContact CG2-CD 4.35Å; T556-K560 WeakPolarHBondContact O-CG 3.45Å; T556-K560 PolarHBondContact O-N 2.9Å; W557-K560 PolarHBondContact O-N 3.29Å; W557-K560 VanDerWaalsContact O-N 3.12Å; W558-K560 PolarHBondContact O-N 3.22Å
561L81.9Confident77.2Confident14 Ų1453.4 Ų53.47%0.07324%0.243CC..SBendtrans-61.5138.7177.4-66.4176.9000111.2L468 V518 W557 W558 H565 L566 K592L468-L561 HydrophobicContact CD1-CD2 3.19Å; V518-L561 HydrophobicContact CG1-CD1 4.19Å; V518-L561 HydrophobicContact CG1-CD2 4.23Å; W557-L561 PolarHBondContact O-N 2.97Å; W558-L561 HydrophobicContact CD2-CD1 4.48Å; W558-L561 HydrophobicContact CG-CD1 4.4Å; W558-L561 WeakPolarHBondContact O-CB 3.21Å; W558-L561 PolarHBondContact O-N 2.84Å; W558-L561 VanDerWaalsContact O-N 3.09Å; L561-H565 HydrophobicContact CB-CB 4.14Å; L561-L566 HydrophobicContact CB-CD2 4.24Å; L561-L566 HydrophobicContact CB-CG 4.29Å; L561-L566 HydrophobicContact CD1-CD2 4.36Å; L561-K592 PolarHBondContact O-NZ 2.75Å
562P79.4Confident76.1Confident64 Ų6449.4 Ų49.442%0.41623%0.229SC..  trans-60.7147.9168.6-16.423.3000111.4R564 H565P562-R564 HydrophobicContact CB-CG 4.34Å; P562-R564 PolarHBondContact O-N 3.08Å; P562-R564 VanDerWaalsContact O-N 3.09Å; P562-H565 WeakPolarHBondContact CD-CD2 3.07Å; P562-H565 VanDerWaalsContact O-CB 3.28Å; P562-H565 WeakPolarHBondContact O-CB 3.22Å; P562-H565 PolarHBondContact O-N 3.22Å
563V74.2Confident74.7Confident61 Ų6144.9 Ų44.937%0.3721%0.214SC..Hα-helixtrans-54.1-37-172.6178.80000113.5H565 L566 N567 K592 V593V563-H565 PolarHBondContact O-N 2.88Å; V563-H565 VanDerWaalsContact O-N 3.08Å; V563-L566 PolarHBondContact O-N 3.11Å; V563-L566 VanDerWaalsContact O-N 3.09Å; V563-N567 PolarHBondContact O-N 2.97Å; V563-K592 WeakPolarHBondContact CG1-O 3.28Å; V563-K592 HydrophobicContact CG2-CB 4.22Å; V563-V593 HydrophobicContact CG1-CG2 4.1Å
564R75.5Confident73.2Confident132 Ų13249.2 Ų49.250%0.49823%0.233SC..Hα-helixtrans-53.9-31.3176.167.3-178.1176.6-163.1-9.5113D469 P562D469-R564 IonicContact OD1-CZ 2.96Å; D469-R564 IonicContact OD1-NE 2.78Å; D469-R564 PolarHBondContact OD1-NE 3.07Å; D469-R564 IonicContact OD1-NH1 3.77Å; D469-R564 IonicContact OD1-NH2 3.69Å; D469-R564 PolarHBondContact OD1-NH2 3.3Å; D469-R564 IonicContact OD2-CZ 2.94Å; D469-R564 IonicContact OD2-NH1 3.63Å; D469-R564 IonicContact OD2-NH2 3.31Å; D469-R564 PolarHBondContact OD2-NH2 3.26Å; P562-R564 HydrophobicContact CB-CG 4.34Å; P562-R564 PolarHBondContact O-N 3.08Å; P562-R564 VanDerWaalsContact O-N 3.09Å
565H72.6Confident71.5Confident5 Ų555.6 Ų55.62%0.02326%0.26CS..Hα-helixtrans-76.9-42.1179.2-64.9-79.8000113.1D469 W522 L561 P562 V563 N567 R568D469-H565 IonicContact OD1-CE1 2.69Å; D469-H565 PolarHBondContact OD1-CE1 3.24Å; D469-H565 IonicContact OD1-NE2 3.27Å; D469-H565 PolarHBondContact OD1-NE2 3.15Å; W522-H565 HydrophobicContact CH2-CB 3.39Å; W522-H565 AromaticContact CH2-CE1 4Å; W522-H565 AromaticContact CH2-CG 3.38Å; W522-H565 AromaticContact CH2-ND1 2.86Å; W522-H565 WeakPolarHBondContact CH2-ND1 3.19Å; W522-H565 HydrophobicContact CZ2-CB 3.25Å; W522-H565 AromaticContact CZ2-CG 3.37Å; W522-H565 AromaticContact CZ2-ND1 2.93Å; W522-H565 WeakPolarHBondContact CZ2-ND1 3.47Å; W522-H565 AromaticContact CZ3-ND1 3.97Å; L561-H565 HydrophobicContact CB-CB 4.14Å; P562-H565 WeakPolarHBondContact CD-CD2 3.07Å; P562-H565 VanDerWaalsContact O-CB 3.28Å; P562-H565 WeakPolarHBondContact O-CB 3.22Å; P562-H565 PolarHBondContact O-N 3.22Å; V563-H565 PolarHBondContact O-N 2.88Å; V563-H565 VanDerWaalsContact O-N 3.08Å; H565-N567 VanDerWaalsContact C-N 3.35Å; H565-N567 PolarHBondContact O-N 3.44Å; H565-R568 PolarHBondContact O-N 2.79Å
566L67.3Low70Confident11 Ų1153.5 Ų53.56%0.05826%0.255CS..Hα-helixtrans-65.5-38.7176.3-60.6169000111.8L561 V563 R568 V569 L570 L589 K592 V593L561-L566 HydrophobicContact CB-CD2 4.24Å; L561-L566 HydrophobicContact CB-CG 4.29Å; L561-L566 HydrophobicContact CD1-CD2 4.36Å; V563-L566 PolarHBondContact O-N 3.11Å; V563-L566 VanDerWaalsContact O-N 3.09Å; L566-R568 PolarHBondContact O-N 3.48Å; L566-V569 PolarHBondContact O-N 2.87Å; L566-L570 PolarHBondContact O-N 3.26Å; L566-L589 HydrophobicContact CD1-CD2 3.69Å; L566-L589 HydrophobicContact CD2-CD1 4.02Å; L566-L589 HydrophobicContact CD2-CD2 3.73Å; L566-L589 HydrophobicContact CG-CD2 4.36Å; L566-K592 HydrophobicContact CD1-CB 3.91Å; L566-K592 HydrophobicContact CD1-CD 3.86Å; L566-V593 HydrophobicContact CB-CG2 3.53Å; L566-V593 HydrophobicContact CD1-CG2 3.99Å; L566-V593 HydrophobicContact CG-CG2 4.43Å
567N67.3Low68.3Low76 Ų7660.4 Ų60.441%0.40628%0.278SS..Hα-helixtrans-60-30.5177.9-78.3-17.7000113.5V563 H565 K571V563-N567 PolarHBondContact O-N 2.97Å; H565-N567 VanDerWaalsContact C-N 3.35Å; H565-N567 PolarHBondContact O-N 3.44Å; N567-K571 WeakPolarHBondContact O-CB 3.36Å; N567-K571 PolarHBondContact O-N 3.08Å
568R64Low66.1Low53 Ų5364.5 Ų64.520%0.230%0.304CS..Hα-helixtrans-70.7-43.8178.2-175.6141.9167.9167.9-3.7111.6W522 H565 L566 L570 K571 V572W522-R568 HydrophobicContact CE3-CG 4.22Å; W522-R568 HydrophobicContact CH2-CB 4.37Å; W522-R568 HydrophobicContact CZ3-CB 3.94Å; W522-R568 HydrophobicContact CZ3-CG 4.07Å; W522-R568 PolarHBondContact O-NH2 3.11Å; H565-R568 PolarHBondContact O-N 2.79Å; L566-R568 PolarHBondContact O-N 3.48Å; R568-L570 VanDerWaalsContact C-N 3.3Å; R568-L570 PolarHBondContact O-N 3.37Å; R568-K571 WeakPolarHBondContact O-CB 3.41Å; R568-K571 PolarHBondContact O-N 3.08Å; R568-V572 PolarHBondContact O-N 3.47Å
569V61.1Low64.1Low36 Ų3664.7 Ų64.722%0.21831%0.305CS..Hα-helixtrans-62.8-40.1174.2-176.30000110.7P521 W558 L566 K571 V572 N573P521-V569 HydrophobicContact CB-CG2 4.17Å; W558-V569 HydrophobicContact CH2-CG1 4.06Å; W558-V569 HydrophobicContact CH2-CG2 4.09Å; W558-V569 HydrophobicContact CZ3-CB 4.43Å; W558-V569 HydrophobicContact CZ3-CG1 4Å; W558-V569 HydrophobicContact CZ3-CG2 4.1Å; L566-V569 PolarHBondContact O-N 2.87Å; V569-K571 VanDerWaalsContact C-N 3.33Å; V569-K571 PolarHBondContact O-N 3Å; V569-V572 WeakPolarHBondContact O-CB 3.36Å; V569-V572 PolarHBondContact O-N 3.13Å; V569-N573 PolarHBondContact O-N 3.4Å
570L62.4Low62.5Low23 Ų2364.9 Ų64.912%0.1231%0.311CS..Hα-helixtrans-62.2-39.5174.9-174.968.2000112.3L566 R568 V572 N573 K574 F581 V593 D598L566-L570 PolarHBondContact O-N 3.26Å; R568-L570 VanDerWaalsContact C-N 3.3Å; R568-L570 PolarHBondContact O-N 3.37Å; L570-V572 VanDerWaalsContact C-N 3.3Å; L570-V572 PolarHBondContact O-N 3.4Å; L570-N573 PolarHBondContact O-N 3.12Å; L570-N573 VanDerWaalsContact O-N 3.13Å; L570-K574 HydrophobicContact CG-CD 4.33Å; L570-K574 HydrophobicContact CG-CG 4.37Å; L570-K574 WeakPolarHBondContact O-CG 3.16Å; L570-K574 PolarHBondContact O-N 3Å; L570-F581 HydrophobicContact CD1-CZ 4.07Å; L570-V593 HydrophobicContact CD2-CG1 3.57Å; L570-D598 WeakPolarHBondContact CD1-OD2 3.18Å; L570-D598 WeakPolarHBondContact CD2-OD2 3.43Å
571K62.8Low60.7Low126 Ų12660.7 Ų60.755%0.54829%0.293SS..Hα-helixtrans-62.1-36.5177.5-170.3175.6-176.5179.60112.2N567 R568 V569 K575N567-K571 WeakPolarHBondContact O-CB 3.36Å; N567-K571 PolarHBondContact O-N 3.08Å; R568-K571 WeakPolarHBondContact O-CB 3.41Å; R568-K571 PolarHBondContact O-N 3.08Å; V569-K571 VanDerWaalsContact C-N 3.33Å; V569-K571 PolarHBondContact O-N 3Å; K571-K575 PolarHBondContact O-N 3.45Å
572V57Low59.1Low14 Ų1463.9 Ų63.99%0.08532%0.316CS..Hα-helixtrans-58.7-51.3171.1174.40000109.7F526 L527 R568 V569 L570 K574 K575 T576F526-V572 WeakPolarHBondContact O-CG1 3.41Å; L527-V572 HydrophobicContact CD2-CG2 3.44Å; L527-V572 VanDerWaalsContact CD2-CG2 3.44Å; L527-V572 HydrophobicContact CG-CG2 4.17Å; R568-V572 PolarHBondContact O-N 3.47Å; V569-V572 WeakPolarHBondContact O-CB 3.36Å; V569-V572 PolarHBondContact O-N 3.13Å; L570-V572 VanDerWaalsContact C-N 3.3Å; L570-V572 PolarHBondContact O-N 3.4Å; V572-K574 PolarHBondContact O-N 2.85Å; V572-K575 PolarHBondContact O-N 3.13Å; V572-T576 PolarHBondContact O-N 2.89Å; V572-T576 PolarHBondContact O-OG1 2.79Å
573N54.9Low57.4Low29 Ų2964.7 Ų64.716%0.15532%0.317CS..Hα-helixtrans-64.7-41.6-177.9-16111000112.8V569 L570 K575 T576 R577 F581V569-N573 PolarHBondContact O-N 3.4Å; L570-N573 PolarHBondContact O-N 3.12Å; L570-N573 VanDerWaalsContact O-N 3.13Å; N573-K575 VanDerWaalsContact C-N 3.3Å; N573-K575 PolarHBondContact O-N 2.89Å; N573-T576 PolarHBondContact O-N 3.44Å; N573-R577 PolarHBondContact O-N 3.18Å; N573-R577 VanDerWaalsContact O-N 3.15Å; N573-F581 WeakPolarHBondContact ND2-CE2 3.42Å
574K57.3Low56.2Low113 Ų11364 Ų6449%0.49131%0.31SS..Hα-helixtrans-59.5-37.3177-78.3-173.9178.1-172.40113.3L570 V572 D598L570-K574 HydrophobicContact CG-CD 4.33Å; L570-K574 HydrophobicContact CG-CG 4.37Å; L570-K574 WeakPolarHBondContact O-CG 3.16Å; L570-K574 PolarHBondContact O-N 3Å; V572-K574 PolarHBondContact O-N 2.85Å; K574-D598 WeakPolarHBondContact CE-OD1 3.43Å; K574-D598 WeakPolarHBondContact CE-OD2 3.4Å; K574-D598 VanDerWaalsContact NZ-CG 3.32Å; K574-D598 IonicContact NZ-OD1 3.85Å; K574-D598 PolarHBondContact NZ-OD1 2.63Å; K574-D598 IonicContact NZ-OD2 2.95Å; K574-D598 PolarHBondContact NZ-OD2 3.36Å
575K51.3Low54.9Low135 Ų13561.3 Ų61.359%0.58730%0.3SS*.Hα-helixtrans-72.9-40-177.5-92.6-173.1170.5-169.90112.8K571 V572 N573K571-K575 PolarHBondContact O-N 3.45Å; V572-K575 PolarHBondContact O-N 3.13Å; N573-K575 VanDerWaalsContact C-N 3.3Å; N573-K575 PolarHBondContact O-N 2.89Å
576T50.6Low54.1Low25 Ų2561.6 Ų61.615%0.15330%0.302CS..Hα-helixtrans-102.3-22.1-167.2580000115A529 Y532 V572 N573 T578A529-T576 HydrophobicContact CB-CG2 4.11Å; Y532-T576 HydrophobicContact CD2-CG2 3.82Å; Y532-T576 HydrophobicContact CE2-CG2 4.09Å; Y532-T576 WeakPolarHBondContact CE2-OG1 3.41Å; Y532-T576 HydrophobicContact CG-CG2 4.5Å; V572-T576 PolarHBondContact O-N 2.89Å; V572-T576 PolarHBondContact O-OG1 2.79Å; N573-T576 PolarHBondContact O-N 3.44Å; T576-T578 PolarHBondContact O-N 2.71Å; T576-T578 VanDerWaalsContact O-N 3.14Å; T576-T578 PolarHBondContact O-OG1 3.08Å; T576-T578 VanDerWaalsContact O-OG1 3.08Å
577R51.8Low53.3Low173 Ų17365.5 Ų65.565%0.65332%0.323SS*.  trans60.617.8170.3-50.3177.3-179.8177.20.4115.8N573N573-R577 PolarHBondContact O-N 3.18Å; N573-R577 VanDerWaalsContact O-N 3.15Å
578T44.4Very low52.9Low91 Ų9165.8 Ų65.856%0.55832%0.321SS*.  trans-110-33-167.2120000116.7Y532 T576Y532-T578 WeakPolarHBondContact CE1-OG1 3.4Å; Y532-T578 PolarHBondContact OH-OG1 3.24Å; T576-T578 PolarHBondContact O-N 2.71Å; T576-T578 VanDerWaalsContact O-N 3.14Å; T576-T578 PolarHBondContact O-OG1 3.08Å; T576-T578 VanDerWaalsContact O-OG1 3.08Å
579I44Very low52.7Low16 Ų1663.8 Ų63.88%0.08231%0.314CS..SBendtrans-81.3128.3-179.3-79.2160.5000110.2Y532 V536 A540 F581 N583 F584Y532-I579 HydrophobicContact CE1-CD1 3.97Å; Y532-I579 HydrophobicContact CE1-CG1 3.87Å; Y532-I579 HydrophobicContact CE2-CD1 4.07Å; Y532-I579 VanDerWaalsContact CZ-CD1 3.4Å; Y532-I579 VanDerWaalsContact OH-CB 3.22Å; Y532-I579 WeakPolarHBondContact OH-CB 3.35Å; Y532-I579 WeakPolarHBondContact OH-CD1 3.45Å; Y532-I579 WeakPolarHBondContact OH-CG1 3.1Å; Y532-I579 PolarHBondContact OH-N 3.25Å; V536-I579 HydrophobicContact CG1-CD1 3.72Å; A540-I579 HydrophobicContact CB-CD1 4.32Å; I579-F581 PolarHBondContact O-N 2.98Å; I579-N583 HydrophobicContact CG2-CB 4.43Å; I579-F584 HydrophobicContact CD1-CE2 4.07Å; I579-F584 HydrophobicContact CG2-CD2 3.62Å; I579-F584 HydrophobicContact CG2-CE2 3.89Å
580P48.2Very low52.4Low57 Ų5765.3 Ų65.337%0.3732%0.319SS..  trans-55.1123.6172.4-21.631.7000109.7S582 N583P580-S582 PolarHBondContact O-N 3.46Å; P580-S582 VanDerWaalsContact O-N 3.08Å; P580-N583 WeakPolarHBondContact O-CB 3.22Å; P580-N583 PolarHBondContact O-N 3.2Å
581F47.5Very low52.3Low20 Ų2070.5 Ų70.59%0.08835%0.352CS..G310 helixtrans-54.9-33.5-175.5-133.6-68.1000112.1L570 N573 I579 N583 F584 Y585 I595 D598 Y599L570-F581 HydrophobicContact CD1-CZ 4.07Å; N573-F581 WeakPolarHBondContact ND2-CE2 3.42Å; I579-F581 PolarHBondContact O-N 2.98Å; F581-N583 PolarHBondContact O-N 2.91Å; F581-N583 VanDerWaalsContact O-N 3.15Å; F581-F584 PolarHBondContact O-N 2.96Å; F581-Y585 HydrophobicContact CD1-CD2 4.4Å; F581-Y585 WeakPolarHBondContact O-CB 3.1Å; F581-Y585 PolarHBondContact O-N 3.21Å; F581-I595 HydrophobicContact CD1-CG2 3.88Å; F581-I595 HydrophobicContact CE1-CB 4.4Å; F581-I595 HydrophobicContact CE1-CG2 3.22Å; F581-I595 HydrophobicContact CZ-CG2 3.84Å; F581-D598 HydrophobicContact CE2-CB 4.16Å; F581-D598 HydrophobicContact CZ-CB 4.28Å; F581-Y599 HydrophobicContact CB-CD2 3.45Å; F581-Y599 VanDerWaalsContact CB-CD2 3.45Å; F581-Y599 HydrophobicContact CB-CE2 3.93Å; F581-Y599 HydrophobicContact CB-CG 4.49Å; F581-Y599 HydrophobicContact CD2-CD2 4.29Å; F581-Y599 AromaticContact CG-CD2 3.93Å; F581-Y599 HydrophobicContact CG-CD2 3.93Å
582S46.5Very low51.9Low81 Ų8168.2 Ų68.257%0.56634%0.342SS*.G310 helixtrans-52.7-31.4174.953.90000114.2P580 F584P580-S582 PolarHBondContact O-N 3.46Å; P580-S582 VanDerWaalsContact O-N 3.08Å; S582-F584 VanDerWaalsContact C-N 3.33Å; S582-F584 PolarHBondContact O-N 3.44Å
583N44.4Very low51.8Low81 Ų8168.2 Ų68.243%0.43334%0.342SS..G310 helixtrans-78.3-20.7-174-66.213.8000112.7I579 P580 F581I579-N583 HydrophobicContact CG2-CB 4.43Å; P580-N583 WeakPolarHBondContact O-CB 3.22Å; P580-N583 PolarHBondContact O-N 3.2Å; F581-N583 PolarHBondContact O-N 2.91Å; F581-N583 VanDerWaalsContact O-N 3.15Å
584F48.8Very low51.7Low47 Ų4771 Ų7121%0.20636%0.357CS..THydrogen-bonded Turntrans-116.24.2174.5-80.6-91.6000112.4A540 I579 F581 S582 I586A540-F584 HydrophobicContact CB-CE2 3.66Å; A540-F584 HydrophobicContact CB-CZ 3.83Å; I579-F584 HydrophobicContact CD1-CE2 4.07Å; I579-F584 HydrophobicContact CG2-CD2 3.62Å; I579-F584 HydrophobicContact CG2-CE2 3.89Å; F581-F584 PolarHBondContact O-N 2.96Å; S582-F584 VanDerWaalsContact C-N 3.33Å; S582-F584 PolarHBondContact O-N 3.44Å; F584-I586 PolarHBondContact O-N 3.08Å
585Y49.2Very low51.5Low75 Ų7566.3 Ų66.329%0.29434%0.337SS..  trans-71.2114.2-178-168.2-110.8000109.4F581 D587 E590 I595F581-Y585 HydrophobicContact CD1-CD2 4.4Å; F581-Y585 WeakPolarHBondContact O-CB 3.1Å; F581-Y585 PolarHBondContact O-N 3.21Å; Y585-D587 WeakPolarHBondContact CD1-OD1 3.17Å; Y585-D587 HydrophobicContact CE1-CB 4.16Å; Y585-D587 WeakPolarHBondContact CE1-OD1 3.34Å; Y585-E590 PolarHBondContact OH-OE2 2.92Å; Y585-I595 HydrophobicContact CD2-CG2 3.7Å; Y585-I595 HydrophobicContact CE2-CB 4.42Å; Y585-I595 HydrophobicContact CE2-CG2 3.56Å
586I55Low51.1Low12 Ų1266.4 Ų66.46%0.06233%0.334CS..  trans-111.9106.7166.1-60.5170.9000104.6R555 W558 Q559 F584 E588 L589R555-I586 HydrophobicContact CG-CG2 3.91Å; W558-I586 HydrophobicContact CB-CD1 3.92Å; W558-I586 HydrophobicContact CG-CD1 4.42Å; Q559-I586 HydrophobicContact CG-CG2 4.08Å; F584-I586 PolarHBondContact O-N 3.08Å; I586-E588 VanDerWaalsContact CG2-OE2 3.28Å; I586-E588 WeakPolarHBondContact CG2-OE2 3.49Å; I586-E588 PolarHBondContact O-N 2.82Å; I586-L589 HydrophobicContact CB-CD1 3.84Å; I586-L589 HydrophobicContact CB-CG 3.88Å; I586-L589 HydrophobicContact CD1-CD1 3.96Å; I586-L589 HydrophobicContact CG1-CD1 4.31Å; I586-L589 HydrophobicContact CG2-CD1 4.48Å; I586-L589 HydrophobicContact CG2-CG 4.06Å; I586-L589 WeakPolarHBondContact O-CB 3.47Å; I586-L589 PolarHBondContact O-N 3.19Å
587D51.6Low51Low93 Ų9369.1 Ų69.150%0.49735%0.35SS..G310 helixtrans-45.7-42.4-175.1-63.821.2000112.5Y585 L589 E590Y585-D587 WeakPolarHBondContact CD1-OD1 3.17Å; Y585-D587 HydrophobicContact CE1-CB 4.16Å; Y585-D587 WeakPolarHBondContact CE1-OD1 3.34Å; D587-L589 PolarHBondContact O-N 3.32Å; D587-L589 VanDerWaalsContact O-N 3.17Å; D587-E590 WeakPolarHBondContact O-CB 3.31Å; D587-E590 PolarHBondContact O-N 2.96Å; D587-E590 VanDerWaalsContact O-N 3.09Å
588E58.5Low50.7Low81 Ų8162.5 Ų62.538%0.37933%0.328SS..G310 helixtrans-70.6-12.3-177-58.588.8168.800114.5R555 Q559 I586 T591R555-E588 IonicContact CZ-OE1 3.28Å; R555-E588 IonicContact CZ-OE2 3.99Å; R555-E588 IonicContact NE-OE1 2.84Å; R555-E588 IonicContact NE-OE2 3.17Å; R555-E588 PolarHBondContact NE-OE2 3.28Å; R555-E588 VanDerWaalsContact NE-OE2 3.14Å; R555-E588 IonicContact NH2-OE1 3.81Å; R555-E588 PolarHBondContact NH2-OE1 2.95Å; R555-E588 IonicContact NH2-OE2 3.08Å; R555-E588 PolarHBondContact NH2-OE2 2.85Å; Q559-E588 HydrophobicContact CG-CB 4.2Å; Q559-E588 PolarHBondContact NE2-OE2 3.29Å; I586-E588 VanDerWaalsContact CG2-OE2 3.28Å; I586-E588 WeakPolarHBondContact CG2-OE2 3.49Å; I586-E588 PolarHBondContact O-N 2.82Å; E588-T591 PolarHBondContact O-OG1 3.07Å
589L58.7Low50.6Low11 Ų1162.7 Ų62.76%0.05832%0.319CS..G310 helixtrans-74.6-16.6173.2-66.8-179.4000112.1L566 I586 D587 T591 K592 V593 I595L566-L589 HydrophobicContact CD1-CD2 3.69Å; L566-L589 HydrophobicContact CD2-CD1 4.02Å; L566-L589 HydrophobicContact CD2-CD2 3.73Å; L566-L589 HydrophobicContact CG-CD2 4.36Å; I586-L589 HydrophobicContact CB-CD1 3.84Å; I586-L589 HydrophobicContact CB-CG 3.88Å; I586-L589 HydrophobicContact CD1-CD1 3.96Å; I586-L589 HydrophobicContact CG1-CD1 4.31Å; I586-L589 HydrophobicContact CG2-CD1 4.48Å; I586-L589 HydrophobicContact CG2-CG 4.06Å; I586-L589 WeakPolarHBondContact O-CB 3.47Å; I586-L589 PolarHBondContact O-N 3.19Å; D587-L589 PolarHBondContact O-N 3.32Å; D587-L589 VanDerWaalsContact O-N 3.17Å; L589-T591 PolarHBondContact O-N 3.06Å; L589-K592 PolarHBondContact O-N 3.08Å; L589-V593 PolarHBondContact O-N 3.1Å; L589-I595 HydrophobicContact CB-CD1 3.42Å; L589-I595 VanDerWaalsContact CB-CD1 3.42Å
590E56.3Low50.5Low68 Ų6864 Ų6432%0.31833%0.328SS..THydrogen-bonded Turntrans-57.9-32.9179.5-168.1-177.8178.500112Y585 D587 K592 V593 R596Y585-E590 PolarHBondContact OH-OE2 2.92Å; D587-E590 WeakPolarHBondContact O-CB 3.31Å; D587-E590 PolarHBondContact O-N 2.96Å; D587-E590 VanDerWaalsContact O-N 3.09Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 3.34Å; E590-V593 CarbonylContact C-O 3.47Å; E590-V593 WeakPolarHBondContact CA-O 3.32Å; E590-V593 VanDerWaalsContact O-O 3.06Å; E590-R596 HydrophobicContact CG-CB 4.31Å; E590-R596 WeakPolarHBondContact OE1-CB 3.25Å; E590-R596 WeakPolarHBondContact OE1-CD 3.22Å; E590-R596 IonicContact OE1-NH1 2.98Å
591T58.8Low50.5Low132 Ų13262.9 Ų62.981%0.8132%0.324SS*.THydrogen-bonded Turntrans-75.2-19.6177.864.40000113.4E588 L589E588-T591 PolarHBondContact O-OG1 3.07Å; L589-T591 PolarHBondContact O-N 3.06Å
592K56.1Low50.6Low78 Ų7865.3 Ų65.334%0.33933%0.332SS..THydrogen-bonded Turntrans-99.3-33.1-176.5-75.1-166.8168.3-170.70112.8Q559 L561 V563 L566 L589 E590Q559-K592 WeakPolarHBondContact O-CE 3.46Å; Q559-K592 PolarHBondContact O-NZ 3.5Å; L561-K592 PolarHBondContact O-NZ 2.75Å; V563-K592 WeakPolarHBondContact CG1-O 3.28Å; V563-K592 HydrophobicContact CG2-CB 4.22Å; L566-K592 HydrophobicContact CD1-CB 3.91Å; L566-K592 HydrophobicContact CD1-CD 3.86Å; L589-K592 PolarHBondContact O-N 3.08Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 3.34Å
593V53.9Low50.1Low14 Ų1463.2 Ų63.29%0.08531%0.314CS..SBendtrans-140.9131.9-178.6-176.90000106.4V563 L566 L570 L589 E590 I595V563-V593 HydrophobicContact CG1-CG2 4.1Å; L566-V593 HydrophobicContact CB-CG2 3.53Å; L566-V593 HydrophobicContact CD1-CG2 3.99Å; L566-V593 HydrophobicContact CG-CG2 4.43Å; L570-V593 HydrophobicContact CD2-CG1 3.57Å; L589-V593 PolarHBondContact O-N 3.1Å; E590-V593 CarbonylContact C-O 3.47Å; E590-V593 WeakPolarHBondContact CA-O 3.32Å; E590-V593 VanDerWaalsContact O-O 3.06Å; V593-I595 HydrophobicContact CB-CG1 4.44Å; V593-I595 WeakPolarHBondContact O-CG1 3.22Å; V593-I595 PolarHBondContact O-N 3.01Å
594D53.6Low49.9Very low89 Ų8962.9 Ų62.948%0.47631%0.308SS..  trans-69.582.7178.9-176.53.3000110.9T597D594-T597 WeakPolarHBondContact OD1-CB 3.27Å; D594-T597 PolarHBondContact OD1-N 2.93Å; D594-T597 PolarHBondContact OD1-OG1 2.94Å; D594-T597 WeakPolarHBondContact OD2-CB 3Å; D594-T597 PolarHBondContact OD2-OG1 2.85Å
595I52.1Low50Low14 Ų1469.3 Ų69.37%0.07233%0.331CS..Hα-helixtrans-77.8-35.4179.3-69.3167.1000110.3F581 Y585 L589 V593 D598 Y599F581-I595 HydrophobicContact CD1-CG2 3.88Å; F581-I595 HydrophobicContact CE1-CB 4.4Å; F581-I595 HydrophobicContact CE1-CG2 3.22Å; F581-I595 HydrophobicContact CZ-CG2 3.84Å; Y585-I595 HydrophobicContact CD2-CG2 3.7Å; Y585-I595 HydrophobicContact CE2-CB 4.42Å; Y585-I595 HydrophobicContact CE2-CG2 3.56Å; L589-I595 HydrophobicContact CB-CD1 3.42Å; L589-I595 VanDerWaalsContact CB-CD1 3.42Å; V593-I595 HydrophobicContact CB-CG1 4.44Å; V593-I595 WeakPolarHBondContact O-CG1 3.22Å; V593-I595 PolarHBondContact O-N 3.01Å; I595-D598 PolarHBondContact O-N 3.25Å; I595-Y599 WeakPolarHBondContact O-CB 3.4Å; I595-Y599 PolarHBondContact O-N 3Å
596R43.4Very low49.8Very low137 Ų13773 Ų7352%0.51735%0.348SS..Hα-helixtrans-64.7-46.9-174.1-179.3170.3-179.9159.63.6111.3E590 D598 Y599 V600E590-R596 HydrophobicContact CG-CB 4.31Å; E590-R596 WeakPolarHBondContact OE1-CB 3.25Å; E590-R596 WeakPolarHBondContact OE1-CD 3.22Å; E590-R596 IonicContact OE1-NH1 2.98Å; R596-D598 VanDerWaalsContact C-N 3.25Å; R596-D598 PolarHBondContact O-N 3.26Å; R596-Y599 PolarHBondContact O-N 3.26Å; R596-V600 HydrophobicContact CG-CG2 4.18Å; R596-V600 WeakPolarHBondContact O-CB 3.28Å; R596-V600 WeakPolarHBondContact O-CG2 3.18Å; R596-V600 PolarHBondContact O-N 3.43Å
597T48Very low49Very low81 Ų8176.8 Ų76.850%0.49737%0.367SS..Hα-helixtrans-62-36.3177.7-55.60000111.5D594 A601D594-T597 WeakPolarHBondContact OD1-CB 3.27Å; D594-T597 PolarHBondContact OD1-N 2.93Å; D594-T597 PolarHBondContact OD1-OG1 2.94Å; D594-T597 WeakPolarHBondContact OD2-CB 3Å; D594-T597 PolarHBondContact OD2-OG1 2.85Å; T597-A601 WeakPolarHBondContact O-CB 3.17Å; T597-A601 PolarHBondContact O-N 3.47Å
598D45.1Very low48.6Very low35 Ų3583.5 Ų83.519%0.18739%0.385CS..Hα-helixtrans-70.7-41.3176.5-81.3-33.3000112.9L570 K574 F581 I595 R596 A601 W602L570-D598 WeakPolarHBondContact CD1-OD2 3.18Å; L570-D598 WeakPolarHBondContact CD2-OD2 3.43Å; K574-D598 WeakPolarHBondContact CE-OD1 3.43Å; K574-D598 WeakPolarHBondContact CE-OD2 3.4Å; K574-D598 VanDerWaalsContact NZ-CG 3.32Å; K574-D598 IonicContact NZ-OD1 3.85Å; K574-D598 PolarHBondContact NZ-OD1 2.63Å; K574-D598 IonicContact NZ-OD2 2.95Å; K574-D598 PolarHBondContact NZ-OD2 3.36Å; F581-D598 HydrophobicContact CE2-CB 4.16Å; F581-D598 HydrophobicContact CZ-CB 4.28Å; I595-D598 PolarHBondContact O-N 3.25Å; R596-D598 VanDerWaalsContact C-N 3.25Å; R596-D598 PolarHBondContact O-N 3.26Å; D598-A601 PolarHBondContact O-N 3.15Å; D598-W602 VanDerWaalsContact O-CB 3.3Å; D598-W602 WeakPolarHBondContact O-CB 3.22Å; D598-W602 PolarHBondContact O-N 2.72Å
599Y42.3Very low47.6Very low94 Ų9482.5 Ų82.537%0.36938%0.384SS..Hα-helixtrans-62.9-46.7174.3177-113.1000111F581 I595 R596 W602 L603F581-Y599 HydrophobicContact CB-CD2 3.45Å; F581-Y599 VanDerWaalsContact CB-CD2 3.45Å; F581-Y599 HydrophobicContact CB-CE2 3.93Å; F581-Y599 HydrophobicContact CB-CG 4.49Å; F581-Y599 HydrophobicContact CD2-CD2 4.29Å; F581-Y599 AromaticContact CG-CD2 3.93Å; F581-Y599 HydrophobicContact CG-CD2 3.93Å; I595-Y599 WeakPolarHBondContact O-CB 3.4Å; I595-Y599 PolarHBondContact O-N 3Å; R596-Y599 PolarHBondContact O-N 3.26Å; Y599-W602 HydrophobicContact CD2-CE3 4.09Å; Y599-W602 AromaticContact CE2-CE3 3.99Å; Y599-W602 HydrophobicContact CE2-CE3 3.99Å; Y599-W602 AromaticContact CE2-CZ3 3.96Å; Y599-W602 HydrophobicContact CE2-CZ3 3.96Å; Y599-W602 WeakPolarHBondContact O-CB 3.38Å; Y599-W602 PolarHBondContact O-N 3.37Å; Y599-L603 HydrophobicContact CD1-CD1 4.27Å; Y599-L603 HydrophobicContact CD2-CD1 4.37Å; Y599-L603 HydrophobicContact CE1-CD1 3.54Å; Y599-L603 HydrophobicContact CE2-CD1 3.68Å; Y599-L603 WeakPolarHBondContact O-CB 3.45Å; Y599-L603 PolarHBondContact O-N 3.12Å; Y599-L603 VanDerWaalsContact OH-CD1 3.25Å; Y599-L603 WeakPolarHBondContact OH-CD1 3.29Å
600V43.7Very low46.7Very low45 Ų4588 Ų8827%0.27341%0.414SS..Hα-helixtrans-62.4-43.1177.4168.80000110.5R596 W602 L603 Y604R596-V600 HydrophobicContact CG-CG2 4.18Å; R596-V600 WeakPolarHBondContact O-CB 3.28Å; R596-V600 WeakPolarHBondContact O-CG2 3.18Å; R596-V600 PolarHBondContact O-N 3.43Å; V600-W602 PolarHBondContact O-N 2.97Å; V600-L603 PolarHBondContact O-N 3.22Å; V600-Y604 HydrophobicContact CB-CD2 4.5Å; V600-Y604 HydrophobicContact CB-CE2 4.33Å; V600-Y604 HydrophobicContact CG1-CD2 3.35Å; V600-Y604 HydrophobicContact CG1-CE2 2.92Å; V600-Y604 HydrophobicContact CG1-CG 4.43Å; V600-Y604 VanDerWaalsContact O-CB 3.31Å; V600-Y604 WeakPolarHBondContact O-CB 3.42Å; V600-Y604 WeakPolarHBondContact O-CD2 3.48Å; V600-Y604 VanDerWaalsContact O-CG 3.23Å; V600-Y604 PolarHBondContact O-N 3.16Å
601A46.3Very low45.9Very low33 Ų3393 Ų9327%0.27344%0.437SS..Hα-helixtrans-65.3-37173.500000113.1T597 D598 R605T597-A601 WeakPolarHBondContact O-CB 3.17Å; T597-A601 PolarHBondContact O-N 3.47Å; D598-A601 PolarHBondContact O-N 3.15Å; A601-R605 WeakPolarHBondContact O-CB 3.36Å; A601-R605 WeakPolarHBondContact O-CG 3.4Å; A601-R605 PolarHBondContact O-N 3.09Å; A601-R605 VanDerWaalsContact O-N 3.07Å
602W49.5Very low45Very low71 Ų7191.9 Ų91.927%0.26944%0.435SS..Hα-helixtrans-64.3-45.7172.7173.889.9000111.2D598 Y599 V600 R605 K606D598-W602 VanDerWaalsContact O-CB 3.3Å; D598-W602 WeakPolarHBondContact O-CB 3.22Å; D598-W602 PolarHBondContact O-N 2.72Å; Y599-W602 HydrophobicContact CD2-CE3 4.09Å; Y599-W602 AromaticContact CE2-CE3 3.99Å; Y599-W602 HydrophobicContact CE2-CE3 3.99Å; Y599-W602 AromaticContact CE2-CZ3 3.96Å; Y599-W602 HydrophobicContact CE2-CZ3 3.96Å; Y599-W602 WeakPolarHBondContact O-CB 3.38Å; Y599-W602 PolarHBondContact O-N 3.37Å; V600-W602 PolarHBondContact O-N 2.97Å; W602-R605 PolarHBondContact O-N 3.49Å; W602-K606 HydrophobicContact CZ2-CD 4.5Å; W602-K606 PolarHBondContact O-N 3.38Å
603L37.9Very low44.3Very low36 Ų3693.4 Ų93.419%0.18844%0.443CS..Hα-helixtrans-63.1-50.6178.4-135.9110.8000110.9Y599 V600 R605 K606 M607Y599-L603 HydrophobicContact CD1-CD1 4.27Å; Y599-L603 HydrophobicContact CD2-CD1 4.37Å; Y599-L603 HydrophobicContact CE1-CD1 3.54Å; Y599-L603 HydrophobicContact CE2-CD1 3.68Å; Y599-L603 WeakPolarHBondContact O-CB 3.45Å; Y599-L603 PolarHBondContact O-N 3.12Å; Y599-L603 VanDerWaalsContact OH-CD1 3.25Å; Y599-L603 WeakPolarHBondContact OH-CD1 3.29Å; V600-L603 PolarHBondContact O-N 3.22Å; L603-R605 VanDerWaalsContact C-N 3.29Å; L603-R605 PolarHBondContact O-N 3.39Å; L603-K606 WeakPolarHBondContact O-CB 3.17Å; L603-K606 PolarHBondContact O-N 3.28Å; L603-K606 VanDerWaalsContact O-N 3.1Å; L603-M607 HydrophobicContact CD2-CE 3.41Å; L603-M607 VanDerWaalsContact CD2-CE 3.41Å; L603-M607 HydrophobicContact CD2-SD 4Å; L603-M607 HydrophobicContact CG-CE 4.11Å; L603-M607 WeakPolarHBondContact O-CG 3.31Å; L603-M607 PolarHBondContact O-N 2.86Å
604Y39.7Very low43.3Very low75 Ų7597.4 Ų97.429%0.29446%0.462SS..Hα-helixtrans-61.1-35.6178.8-72.4-42.8000112.5V600 M607 R608V600-Y604 HydrophobicContact CB-CD2 4.5Å; V600-Y604 HydrophobicContact CB-CE2 4.33Å; V600-Y604 HydrophobicContact CG1-CD2 3.35Å; V600-Y604 HydrophobicContact CG1-CE2 2.92Å; V600-Y604 HydrophobicContact CG1-CG 4.43Å; V600-Y604 VanDerWaalsContact O-CB 3.31Å; V600-Y604 WeakPolarHBondContact O-CB 3.42Å; V600-Y604 WeakPolarHBondContact O-CD2 3.48Å; V600-Y604 VanDerWaalsContact O-CG 3.23Å; V600-Y604 PolarHBondContact O-N 3.16Å; Y604-M607 PolarHBondContact O-N 2.9Å; Y604-R608 PolarHBondContact O-N 2.87Å; Y604-R608 VanDerWaalsContact O-N 3.08Å
605R49.5Very low42.6Very low182 Ų18298.1 Ų98.169%0.68747%0.474SS*.Hα-helixtrans-72.5-33.3174.6-80.4177.8-178.1149.33.1113.4A601 W602 L603 M607A601-R605 WeakPolarHBondContact O-CB 3.36Å; A601-R605 WeakPolarHBondContact O-CG 3.4Å; A601-R605 PolarHBondContact O-N 3.09Å; A601-R605 VanDerWaalsContact O-N 3.07Å; W602-R605 PolarHBondContact O-N 3.49Å; L603-R605 VanDerWaalsContact C-N 3.29Å; L603-R605 PolarHBondContact O-N 3.39Å; R605-M607 VanDerWaalsContact C-N 3.28Å
606K45.2Very low41.8Very low151 Ų151103.9 Ų103.966%0.65750%0.499SS*.Hα-helixtrans-66.6-33.1170.5-106.9-137.9175.6-170.80111.8W602 L603W602-K606 HydrophobicContact CZ2-CD 4.5Å; W602-K606 PolarHBondContact O-N 3.38Å; L603-K606 WeakPolarHBondContact O-CB 3.17Å; L603-K606 PolarHBondContact O-N 3.28Å; L603-K606 VanDerWaalsContact O-N 3.1Å
607M39.3Very low41.2Very low93 Ų93101 Ų10146%0.45849%0.49SS..Hα-helixtrans-89-11.6-175.7-66.2-179.2177.600115.2L603 Y604 R605 V609L603-M607 HydrophobicContact CD2-CE 3.41Å; L603-M607 VanDerWaalsContact CD2-CE 3.41Å; L603-M607 HydrophobicContact CD2-SD 4Å; L603-M607 HydrophobicContact CG-CE 4.11Å; L603-M607 WeakPolarHBondContact O-CG 3.31Å; L603-M607 PolarHBondContact O-N 2.86Å; Y604-M607 PolarHBondContact O-N 2.9Å; R605-M607 VanDerWaalsContact C-N 3.28Å; M607-V609 HydrophobicContact CB-CG2 3.79Å; M607-V609 WeakPolarHBondContact O-CG2 3.33Å; M607-V609 PolarHBondContact O-N 2.93Å
608R42.9Very low40.3Very low233 Ų233104.3 Ų104.388%0.87950%0.5SS*.THydrogen-bonded Turntrans49.845.1179.1-66.4-173.4175.1-179.5-0.4114.6Y604Y604-R608 PolarHBondContact O-N 2.87Å; Y604-R608 VanDerWaalsContact O-N 3.08Å
609V37.8Very low40Very low60 Ų60106.2 Ų106.236%0.36452%0.516SS..  trans-99.3139.6-174.5-172.30000112.3M607 Q613M607-V609 HydrophobicContact CB-CG2 3.79Å; M607-V609 WeakPolarHBondContact O-CG2 3.33Å; M607-V609 PolarHBondContact O-N 2.93Å; V609-Q613 HydrophobicContact CG1-CB 3.78Å; V609-Q613 HydrophobicContact CG1-CG 4.4Å
610N40.2Very low39.5Very low127 Ų127106.6 Ų106.668%0.67952%0.524SS*.  trans-79.5154.6-178.7-83.5-14.2000113.9S612 Q613N610-S612 VanDerWaalsContact C-N 3.25Å; N610-S612 PolarHBondContact O-N 3.43Å; N610-S612 VanDerWaalsContact O-N 3.1Å; N610-Q613 PolarHBondContact O-N 3.44Å; N610-Q613 VanDerWaalsContact O-N 3.07Å
611E37.7Very low38.9Very low173 Ų173111.1 Ų111.181%0.80854%0.54SS*.G310 helixtrans-56.7-27.3-175.1-76-176.6157.900115.3Q613 M614E611-Q613 VanDerWaalsContact C-N 3.27Å; E611-Q613 PolarHBondContact O-N 3.49Å; E611-M614 VanDerWaalsContact CA-CG 3.49Å; E611-M614 HydrophobicContact CB-CG 4.35Å; E611-M614 WeakPolarHBondContact O-CB 3.5Å; E611-M614 WeakPolarHBondContact O-CG 3.47Å; E611-M614 PolarHBondContact O-N 2.92Å
612S41.5Very low38Very low109 Ų109114.3 Ų114.376%0.76256%0.556SS**G310 helixtrans-71.5-19.317957.10000113.9N610 M614N610-S612 VanDerWaalsContact C-N 3.25Å; N610-S612 PolarHBondContact O-N 3.43Å; N610-S612 VanDerWaalsContact O-N 3.1Å; S612-M614 VanDerWaalsContact C-N 3.31Å
613Q41.3Very low37Very low109 Ų109117.8 Ų117.851%0.50959%0.585SS.*G310 helixtrans-88.30.3174.4-65.4-174.4-4.200112.7V609 N610 E611 S615V609-Q613 HydrophobicContact CG1-CB 3.78Å; V609-Q613 HydrophobicContact CG1-CG 4.4Å; N610-Q613 PolarHBondContact O-N 3.44Å; N610-Q613 VanDerWaalsContact O-N 3.07Å; E611-Q613 VanDerWaalsContact C-N 3.27Å; E611-Q613 PolarHBondContact O-N 3.49Å; Q613-S615 PolarHBondContact O-N 3.27Å
614M33.5Very low36.6Very low98 Ų98119.4 Ų119.448%0.48361%0.611SS.*Hα-helixtrans-65-36.1-175.9-70.6-85.4-81.700114.6E611 S612E611-M614 VanDerWaalsContact CA-CG 3.49Å; E611-M614 HydrophobicContact CB-CG 4.35Å; E611-M614 WeakPolarHBondContact O-CB 3.5Å; E611-M614 WeakPolarHBondContact O-CG 3.47Å; E611-M614 PolarHBondContact O-N 2.92Å; S612-M614 VanDerWaalsContact C-N 3.31Å
615S37.2Very low36.1Very low104 Ų104122.2 Ų122.273%0.72764%0.636SS**Hα-helixtrans-76.4-26.6-176.584.20000112.9Q613Q613-S615 PolarHBondContact O-N 3.27Å
616F37Very low35.4Very low136 Ų136121.5 Ų121.560%0.59664%0.644SS**Hα-helixtrans-71.1-44.4-179.6-170.5-103.5000111.4H618 S619 L620F616-H618 PolarHBondContact O-N 3.48Å; F616-S619 PolarHBondContact O-N 2.93Å; F616-S619 PolarHBondContact O-OG 3.1Å; F616-L620 HydrophobicContact CD1-CD1 4.01Å; F616-L620 HydrophobicContact CE1-CD1 3.61Å; F616-L620 HydrophobicContact CZ-CD1 4.22Å
617F29.7Very low34.6Very low76 Ų76119 Ų11933%0.33364%0.641SS.*Hα-helixtrans-71.6-30.4-178.1-85.9-77.4000114S619 L620 F621F617-S619 PolarHBondContact O-N 2.95Å; F617-L620 PolarHBondContact O-N 3.39Å; F617-L620 VanDerWaalsContact O-N 3.11Å; F617-F621 AromaticContact CD1-CE2 3.92Å; F617-F621 HydrophobicContact CD1-CE2 3.92Å; F617-F621 WeakPolarHBondContact O-CD2 3.45Å
618H30Very low34.6Very low151 Ų151118.8 Ų118.870%0.69965%0.647SS**Hα-helixtrans-64.5-22.1176.5-140.7-61.8000112.7F616F616-H618 PolarHBondContact O-N 3.48Å
619S37.8Very low34.3Very low75 Ų75116.3 Ų116.352%0.52464%0.639SS.*Hα-helixtrans-81.1-20.7175.578.80000114.2F616 F617 T622F616-S619 PolarHBondContact O-N 2.93Å; F616-S619 PolarHBondContact O-OG 3.1Å; F617-S619 PolarHBondContact O-N 2.95Å; S619-T622 PolarHBondContact O-OG1 3.38Å
620L33Very low34.8Very low102 Ų102115.5 Ų115.553%0.53463%0.633SS.*Hα-helixtrans-89.2-21.3-173.4-94.2151.1000113.9F616 F617F616-L620 HydrophobicContact CD1-CD1 4.01Å; F616-L620 HydrophobicContact CE1-CD1 3.61Å; F616-L620 HydrophobicContact CZ-CD1 4.22Å; F617-L620 PolarHBondContact O-N 3.39Å; F617-L620 VanDerWaalsContact O-N 3.11Å
621F29.3Very low35.1Very low139 Ų139114.7 Ų114.761%0.6163%0.632SS**  trans-96.118.3-176-69-71000114.6F617 T623F617-F621 AromaticContact CD1-CE2 3.92Å; F617-F621 HydrophobicContact CD1-CE2 3.92Å; F617-F621 WeakPolarHBondContact O-CD2 3.45Å; F621-T623 PolarHBondContact O-N 3.27Å
622T27.9Very low35.9Very low101 Ų101108.5 Ų108.562%0.6260%0.604SS**SBendtrans-77.4111.5160.246.30000109.5S619S619-T622 PolarHBondContact O-OG1 3.38Å
623T28.9Very low36.4Very low143 Ų143108.5 Ų108.588%0.87760%0.599SS**SBendtrans61.996.4161.762.40000116.9F621F621-T623 PolarHBondContact O-N 3.27Å
624G29.3Very low37.1Very low70 Ų70106.4 Ų106.472%0.72259%0.594SS**  trans-160.4105.7163.700000110.4I626G624-I626 PolarHBondContact O-N 3.17Å
625T28.5Very low38Very low134 Ų134103.6 Ų103.682%0.82258%0.584SS**  trans-53.8125.2177.136.60000111.8T627T625-T627 PolarHBondContact O-N 3.3Å; T625-T627 VanDerWaalsContact O-N 3.13Å
626I35.2Very low38.6Very low168 Ų168109.3 Ų109.386%0.86259%0.59SS**  trans-66.8106.3178.4-59.9169000108.9G624G624-I626 PolarHBondContact O-N 3.17Å
627T28.8Very low39.3Very low98 Ų98110.2 Ų110.260%0.60160%0.596SS**  trans-87.6126.417342.10000110.7T625 Y629T625-T627 PolarHBondContact O-N 3.3Å; T625-T627 VanDerWaalsContact O-N 3.13Å; T627-Y629 VanDerWaalsContact C-N 3.27Å; T627-Y629 PolarHBondContact O-N 3.02Å
628P39.9Very low40.3Very low89 Ų89110.3 Ų110.358%0.57860%0.6SS**SBendtrans-76.81.1-171.327.1-32000115.4K657P628-K657 VanDerWaalsContact C-NZ 3.25Å; P628-K657 WeakPolarHBondContact O-CE 3.1Å; P628-K657 PolarHBondContact O-NZ 2.97Å
629Y37Very low41.2Very low180 Ų180107.3 Ų107.371%0.70659%0.588SS**SBendtrans-120.4149.4-175.7-51.5-70.8000112.2T627 K657T627-Y629 VanDerWaalsContact C-N 3.27Å; T627-Y629 PolarHBondContact O-N 3.02Å; Y629-K657 VanDerWaalsContact CA-NZ 3.26Å; Y629-K657 PolarHBondContact O-NZ 2.89Å
630L47.1Very low41.7Very low44 Ų44108.4 Ų108.423%0.2359%0.591CS.*  trans-87.1111.1176.9172.270.5000104.8L632 L647 I650 K657L630-L632 HydrophobicContact CD2-CD2 4.26Å; L630-L632 HydrophobicContact CD2-CG 4.31Å; L630-L632 HydrophobicContact CG-CD2 4.29Å; L630-L632 HydrophobicContact CG-CG 4.26Å; L630-L647 HydrophobicContact CD2-CD2 4.35Å; L630-I650 HydrophobicContact CD1-CD1 3.72Å; L630-I650 HydrophobicContact CD1-CG2 4.46Å; L630-I650 HydrophobicContact CD2-CD1 4.32Å; L630-K657 HydrophobicContact CB-CB 3.86Å; L630-K657 HydrophobicContact CB-CD 3.56Å; L630-K657 HydrophobicContact CB-CG 4.19Å; L630-K657 HydrophobicContact CD2-CB 4.5Å
631V46.7Very low42.7Very low109 Ų109110.4 Ų110.466%0.66160%0.598SS**  trans-93.7104.7-178.9-177.70000107.4
632L53.6Low44Very low43 Ų43106 Ų10623%0.22558%0.58CS.*  trans-90.2124.8169.6-63.8173.9000108.4L630 V634 T643 Q646 I650 I659L630-L632 HydrophobicContact CD2-CD2 4.26Å; L630-L632 HydrophobicContact CD2-CG 4.31Å; L630-L632 HydrophobicContact CG-CD2 4.29Å; L630-L632 HydrophobicContact CG-CG 4.26Å; L632-V634 HydrophobicContact CB-CG1 4.39Å; L632-V634 PolarHBondContact O-N 2.83Å; L632-T643 HydrophobicContact CD1-CG2 4.09Å; L632-Q646 HydrophobicContact CD2-CB 3.76Å; L632-I650 HydrophobicContact CD2-CD1 3.92Å; L632-I659 HydrophobicContact CD1-CD1 3.75Å
633T53.8Low45.2Very low109 Ų109102.2 Ų102.267%0.66956%0.557SS**  trans-96.194.2178.6-50.80000108.4Q646T633-Q646 PolarHBondContact O-NE2 3.42Å
634V55.4Low46.5Very low65 Ų6597.8 Ų97.839%0.39453%0.528SS..  trans-104.3137.1-177.1-64.10000111.2L632 D642 T643L632-V634 HydrophobicContact CB-CG1 4.39Å; L632-V634 PolarHBondContact O-N 2.83Å; V634-D642 HydrophobicContact CB-CB 4.24Å; V634-D642 HydrophobicContact CG1-CB 4Å; V634-T643 WeakPolarHBondContact CG1-OG1 3.28Å
635S52.8Low48Very low40 Ų4096.5 Ų96.528%0.2852%0.515SS..  trans-80.7144.6168.170.40000109.7Q637 N638 I639 D642S635-Q637 PolarHBondContact O-N 3.22Å; S635-Q637 VanDerWaalsContact O-N 3.13Å; S635-N638 PolarHBondContact O-N 3.2Å; S635-N638 PolarHBondContact OG-N 2.76Å; S635-I639 WeakPolarHBondContact O-CG1 3.3Å; S635-I639 PolarHBondContact O-N 2.98Å; S635-D642 WeakPolarHBondContact CA-OD2 3.42Å; S635-D642 VanDerWaalsContact CB-OD2 3.27Å; S635-D642 WeakPolarHBondContact CB-OD2 3.15Å; S635-D642 PolarHBondContact N-OD2 2.9Å; S635-D642 PolarHBondContact OG-OD2 3.46Å
636R48.4Very low49.5Very low224 Ų22492.5 Ų92.585%0.84549%0.487SS*.THydrogen-bonded Turntrans-61.8-25.3-177.2-162.7176.3-175-179.51.8112.4
637Q52.4Low50.7Low155 Ų15585.6 Ų85.672%0.72445%0.452SS*.THydrogen-bonded Turntrans-81.7-28.9-178.9-63.678.29.700112.8S635S635-Q637 PolarHBondContact O-N 3.22Å; S635-Q637 VanDerWaalsContact O-N 3.13Å
638N51.1Low52.2Low77 Ų7786.3 Ų86.341%0.41245%0.446SS..  trans-129.736.7-170.1-55.2-39.6000112.9S635 V640 E641 D642S635-N638 PolarHBondContact O-N 3.2Å; S635-N638 PolarHBondContact OG-N 2.76Å; N638-V640 PolarHBondContact O-N 2.92Å; N638-V640 VanDerWaalsContact O-N 3.1Å; N638-E641 PolarHBondContact O-N 3.13Å; N638-E641 VanDerWaalsContact O-N 3.13Å; N638-D642 VanDerWaalsContact O-CB 3.32Å; N638-D642 WeakPolarHBondContact O-CB 3.41Å; N638-D642 VanDerWaalsContact O-CG 3.3Å; N638-D642 PolarHBondContact O-N 3.15Å
639I49Very low53.2Low89 Ų8986.6 Ų86.646%0.45645%0.45SS..Hα-helixtrans-49.5-45.3-172.9-63.3173.2000112.2S635 T643S635-I639 WeakPolarHBondContact O-CG1 3.3Å; S635-I639 PolarHBondContact O-N 2.98Å; I639-T643 WeakPolarHBondContact O-CB 3.39Å; I639-T643 PolarHBondContact O-N 2.86Å; I639-T643 VanDerWaalsContact O-N 3.1Å; I639-T643 PolarHBondContact O-OG1 3.21Å
640V46.9Very low54.3Low97 Ų9779.6 Ų79.659%0.58843%0.425SS*.Hα-helixtrans-70.4-48.1-177.4-179.90000111.2N638 T643 I644N638-V640 PolarHBondContact O-N 2.92Å; N638-V640 VanDerWaalsContact O-N 3.1Å; V640-T643 PolarHBondContact O-N 2.88Å; V640-I644 HydrophobicContact CG1-CD1 3.68Å; V640-I644 HydrophobicContact CG1-CG1 4.41Å; V640-I644 WeakPolarHBondContact O-CB 3.47Å; V640-I644 WeakPolarHBondContact O-CG1 3.42Å; V640-I644 PolarHBondContact O-N 3.15Å
641E55.2Low54.6Low145 Ų14582.4 Ų82.468%0.67844%0.44SS*.Hα-helixtrans-69.7-41.2-176.3-159.2169.7-16400111.8N638 T643 I644 G645N638-E641 PolarHBondContact O-N 3.13Å; N638-E641 VanDerWaalsContact O-N 3.13Å; E641-T643 VanDerWaalsContact C-N 3.35Å; E641-T643 PolarHBondContact O-N 3.47Å; E641-I644 PolarHBondContact O-N 3.15Å; E641-G645 PolarHBondContact O-N 3.42Å
642D55.2Low55Low45 Ų4579.4 Ų79.424%0.24143%0.427CS..Hα-helixtrans-63.6-40.2175.2-69.3-17.8000111.5V634 S635 N638 Q646V634-D642 HydrophobicContact CB-CB 4.24Å; V634-D642 HydrophobicContact CG1-CB 4Å; S635-D642 WeakPolarHBondContact CA-OD2 3.42Å; S635-D642 VanDerWaalsContact CB-OD2 3.27Å; S635-D642 WeakPolarHBondContact CB-OD2 3.15Å; S635-D642 PolarHBondContact N-OD2 2.9Å; S635-D642 PolarHBondContact OG-OD2 3.46Å; N638-D642 VanDerWaalsContact O-CB 3.32Å; N638-D642 WeakPolarHBondContact O-CB 3.41Å; N638-D642 VanDerWaalsContact O-CG 3.3Å; N638-D642 PolarHBondContact O-N 3.15Å; D642-Q646 WeakPolarHBondContact O-CB 3.48Å; D642-Q646 WeakPolarHBondContact O-CG 3.41Å; D642-Q646 PolarHBondContact O-N 2.99Å; D642-Q646 PolarHBondContact O-NE2 3.06Å; D642-Q646 VanDerWaalsContact O-NE2 3.12Å
643T53.5Low54.7Low22 Ų2282 Ų8214%0.13544%0.441CS..Hα-helixtrans-65.9-48.9176.5-630000110.7L632 V634 I639 V640 E641 Q646 L647L632-T643 HydrophobicContact CD1-CG2 4.09Å; V634-T643 WeakPolarHBondContact CG1-OG1 3.28Å; I639-T643 WeakPolarHBondContact O-CB 3.39Å; I639-T643 PolarHBondContact O-N 2.86Å; I639-T643 VanDerWaalsContact O-N 3.1Å; I639-T643 PolarHBondContact O-OG1 3.21Å; V640-T643 PolarHBondContact O-N 2.88Å; E641-T643 VanDerWaalsContact C-N 3.35Å; E641-T643 PolarHBondContact O-N 3.47Å; T643-Q646 PolarHBondContact O-N 3.17Å; T643-L647 HydrophobicContact CG2-CD1 3.72Å; T643-L647 HydrophobicContact CG2-CG 4.31Å; T643-L647 WeakPolarHBondContact O-CB 3.38Å; T643-L647 VanDerWaalsContact O-CG 3.24Å; T643-L647 WeakPolarHBondContact O-CG 3.25Å; T643-L647 PolarHBondContact O-N 2.83Å
644I56.1Low54.5Low51 Ų5181.1 Ų81.126%0.26243%0.432SS..Hα-helixtrans-61.9-48.5179.8-72173.2000110.5V640 E641 Q646 L647 F648V640-I644 HydrophobicContact CG1-CD1 3.68Å; V640-I644 HydrophobicContact CG1-CG1 4.41Å; V640-I644 WeakPolarHBondContact O-CB 3.47Å; V640-I644 WeakPolarHBondContact O-CG1 3.42Å; V640-I644 PolarHBondContact O-N 3.15Å; E641-I644 PolarHBondContact O-N 3.15Å; I644-Q646 VanDerWaalsContact C-N 3.33Å; I644-Q646 PolarHBondContact O-N 3.5Å; I644-L647 PolarHBondContact O-N 2.81Å; I644-F648 HydrophobicContact CG2-CD2 3.55Å; I644-F648 HydrophobicContact CG2-CE2 3.33Å; I644-F648 WeakPolarHBondContact O-CD2 3.21Å; I644-F648 PolarHBondContact O-N 2.9Å
645G61.4Low54.2Low43 Ų4379.4 Ų79.444%0.44342%0.421SS..Hα-helixtrans-58.7-4317900000112.5E641 S649E641-G645 PolarHBondContact O-N 3.42Å; G645-S649 PolarHBondContact O-N 3.31Å
646Q60.7Low53.7Low49 Ų4982.4 Ų82.423%0.22943%0.429CS..Hα-helixtrans-67.8-46.2176.6-78.6171.473.100111.9L632 T633 D642 T643 I644 F648 S649 I650L632-Q646 HydrophobicContact CD2-CB 3.76Å; T633-Q646 PolarHBondContact O-NE2 3.42Å; D642-Q646 WeakPolarHBondContact O-CB 3.48Å; D642-Q646 WeakPolarHBondContact O-CG 3.41Å; D642-Q646 PolarHBondContact O-N 2.99Å; D642-Q646 PolarHBondContact O-NE2 3.06Å; D642-Q646 VanDerWaalsContact O-NE2 3.12Å; T643-Q646 PolarHBondContact O-N 3.17Å; I644-Q646 VanDerWaalsContact C-N 3.33Å; I644-Q646 PolarHBondContact O-N 3.5Å; Q646-F648 VanDerWaalsContact C-N 3.29Å; Q646-F648 PolarHBondContact O-N 2.88Å; Q646-S649 PolarHBondContact O-N 3.19Å; Q646-S649 PolarHBondContact O-OG 2.77Å; Q646-I650 HydrophobicContact CB-CD1 4.48Å; Q646-I650 VanDerWaalsContact O-CD1 3.3Å; Q646-I650 WeakPolarHBondContact O-CD1 3.38Å; Q646-I650 WeakPolarHBondContact O-CG1 3.37Å; Q646-I650 PolarHBondContact O-N 3.43Å
647L60.7Low53.2Low24 Ų2474.4 Ų74.413%0.12640%0.4CS..Hα-helixtrans-59.8-36.3178.9-72.2172.5000113.1L630 T643 I644 S649 I650 L655 I659 F712L630-L647 HydrophobicContact CD2-CD2 4.35Å; T643-L647 HydrophobicContact CG2-CD1 3.72Å; T643-L647 HydrophobicContact CG2-CG 4.31Å; T643-L647 WeakPolarHBondContact O-CB 3.38Å; T643-L647 VanDerWaalsContact O-CG 3.24Å; T643-L647 WeakPolarHBondContact O-CG 3.25Å; T643-L647 PolarHBondContact O-N 2.83Å; I644-L647 PolarHBondContact O-N 2.81Å; L647-S649 PolarHBondContact O-N 2.91Å; L647-I650 HydrophobicContact CD2-CD1 4.42Å; L647-I650 PolarHBondContact O-N 2.99Å; L647-L655 HydrophobicContact CD2-CD2 3.87Å; L647-I659 HydrophobicContact CD1-CD1 3.83Å; L647-I659 HydrophobicContact CD2-CD1 3.83Å; L647-I659 HydrophobicContact CG-CD1 4.32Å; L647-F712 HydrophobicContact CD1-CE2 4.19Å; L647-F712 HydrophobicContact CD1-CZ 4.28Å
648F60Low52.2Low113 Ų11371.8 Ų71.850%0.49640%0.396SS..Hα-helixtrans-67.6-23.9175.1-81.7-60000113.9I644 Q646I644-F648 HydrophobicContact CG2-CD2 3.55Å; I644-F648 HydrophobicContact CG2-CE2 3.33Å; I644-F648 WeakPolarHBondContact O-CD2 3.21Å; I644-F648 PolarHBondContact O-N 2.9Å; Q646-F648 VanDerWaalsContact C-N 3.29Å; Q646-F648 PolarHBondContact O-N 2.88Å
649S59.6Low51.5Low94 Ų9472.2 Ų72.266%0.65740%0.398SS*.Hα-helixtrans-91.4-12.2-178.368.80000114.3G645 Q646 L647G645-S649 PolarHBondContact O-N 3.31Å; Q646-S649 PolarHBondContact O-N 3.19Å; Q646-S649 PolarHBondContact O-OG 2.77Å; L647-S649 PolarHBondContact O-N 2.91Å
650I60.6Low50.7Low33 Ų3374.2 Ų74.217%0.16940%0.403CS..SBendtrans-85.7136.2-172.6-69.3158.4000111.2L630 L632 Q646 L647 D654 L655L630-I650 HydrophobicContact CD1-CD1 3.72Å; L630-I650 HydrophobicContact CD1-CG2 4.46Å; L630-I650 HydrophobicContact CD2-CD1 4.32Å; L632-I650 HydrophobicContact CD2-CD1 3.92Å; Q646-I650 HydrophobicContact CB-CD1 4.48Å; Q646-I650 VanDerWaalsContact O-CD1 3.3Å; Q646-I650 WeakPolarHBondContact O-CD1 3.38Å; Q646-I650 WeakPolarHBondContact O-CG1 3.37Å; Q646-I650 PolarHBondContact O-N 3.43Å; L647-I650 HydrophobicContact CD2-CD1 4.42Å; L647-I650 PolarHBondContact O-N 2.99Å; I650-D654 HydrophobicContact CG2-CB 3.46Å; I650-D654 VanDerWaalsContact CG2-CB 3.46Å; I650-L655 HydrophobicContact CB-CD2 3.9Å; I650-L655 HydrophobicContact CB-CG 4.4Å; I650-L655 HydrophobicContact CG2-CD2 3.89Å; I650-L655 HydrophobicContact CG2-CG 4.01Å
651D54.3Low50.1Low104 Ų10477.2 Ų77.256%0.55641%0.411SS*.  trans-65.3147.9178.4-156-26.5000111.2N653 D654D651-N653 PolarHBondContact O-N 2.99Å; D651-D654 PolarHBondContact O-N 3.1Å
652A53.7Low49.5Very low46 Ų4673.4 Ų73.438%0.3840%0.395SS..THydrogen-bonded Turntrans-59.2-20.1-169.900000114.2
653N48.4Very low48.9Very low96 Ų9674.6 Ų74.651%0.51340%0.401SS..THydrogen-bonded Turntrans-76.4-28.1176.3-69.2-41.2000113.3D651D651-N653 PolarHBondContact O-N 2.99Å
654D48.3Very low48.4Very low92 Ų9277.6 Ų77.649%0.49242%0.416SS..THydrogen-bonded Turntrans-94.1-17-173.5-75.4-30.6000113.4I650 D651 K656I650-D654 HydrophobicContact CG2-CB 3.46Å; I650-D654 VanDerWaalsContact CG2-CB 3.46Å; D651-D654 PolarHBondContact O-N 3.1Å; D654-K656 PolarHBondContact O-N 3.14Å
655L49.3Very low47.8Very low29 Ų2978.5 Ų78.515%0.15243%0.425CS..  trans-64.90.3176.4-69174000114.6L647 I650 K657 L719L647-L655 HydrophobicContact CD2-CD2 3.87Å; I650-L655 HydrophobicContact CB-CD2 3.9Å; I650-L655 HydrophobicContact CB-CG 4.4Å; I650-L655 HydrophobicContact CG2-CD2 3.89Å; I650-L655 HydrophobicContact CG2-CG 4.01Å; L655-K657 PolarHBondContact O-N 2.88Å; L655-L719 WeakPolarHBondContact O-CD2 3.33Å
656K42.8Very low46.8Very low103 Ų10384 Ų8445%0.44844%0.437SS..  trans-80.939.5-174.6-63-178.4178.9178.90114.1D654 Y722D654-K656 PolarHBondContact O-N 3.14Å; K656-Y722 HydrophobicContact CD-CE1 4.49Å
657K37.2Very low46.2Very low56 Ų5688 Ų8824%0.24345%0.454CS..SBendtrans-138.7144.5-177.4-64.8-176.8-162.5155.10111.9P628 Y629 L630 L655P628-K657 VanDerWaalsContact C-NZ 3.25Å; P628-K657 WeakPolarHBondContact O-CE 3.1Å; P628-K657 PolarHBondContact O-NZ 2.97Å; Y629-K657 VanDerWaalsContact CA-NZ 3.26Å; Y629-K657 PolarHBondContact O-NZ 2.89Å; L630-K657 HydrophobicContact CB-CB 3.86Å; L630-K657 HydrophobicContact CB-CD 3.56Å; L630-K657 HydrophobicContact CB-CG 4.19Å; L630-K657 HydrophobicContact CD2-CB 4.5Å; L655-K657 PolarHBondContact O-N 2.88Å
658P32.3Very low45.9Very low100 Ų10088 Ų8865%0.64946%0.459SS*.  trans-80.9145.4-157.730.6-36.4000114.5
659I37Very low46Very low85 Ų8584.3 Ų84.344%0.43644%0.444SS..  trans-146.7154.4-177.2-60.3-179.8000111L632 L647L632-I659 HydrophobicContact CD1-CD1 3.75Å; L647-I659 HydrophobicContact CD1-CD1 3.83Å; L647-I659 HydrophobicContact CD2-CD1 3.83Å; L647-I659 HydrophobicContact CG-CD1 4.32Å
660K30.9Very low46.7Very low131 Ų13180.9 Ų80.957%0.5742%0.417SS*.  trans-115.4144.6-171.6-165.3-177.1-176.1-162.20113.7C956K660-C956 PolarHBondContact NZ-SG 2.84Å
661E34.5Very low47.4Very low160 Ų16082.1 Ų82.175%0.74843%0.426SS*.  trans51.4112.3160.9-82.3171-155.100119.7
662L42.6Very low48.5Very low66 Ų6682.6 Ų82.635%0.34643%0.425SS..  trans-145.8-8.3177.4-144.7119.6000116.8F712 L716L662-F712 HydrophobicContact CD1-CE1 3.91Å; L662-F712 HydrophobicContact CD1-CZ 4.32Å; L662-F712 HydrophobicContact CD2-CD1 4.07Å; L662-F712 HydrophobicContact CD2-CE1 3.61Å; L662-F712 HydrophobicContact CG-CE1 4.27Å; L662-L716 HydrophobicContact CB-CD1 4.44Å
663L43.2Very low49.9Very low69 Ų6983 Ų8336%0.36142%0.417SS..  trans-111.3100.2-164.1-63.1167.6000111.5V713 L729L663-V713 HydrophobicContact CD1-CG1 4.07Å; L663-V713 HydrophobicContact CD2-CG1 4.22Å; L663-V713 HydrophobicContact CD2-CG2 3.75Å; L663-L729 HydrophobicContact CD1-CD1 4.4Å; L663-L729 HydrophobicContact CD1-CD2 3.43Å; L663-L729 VanDerWaalsContact CD1-CD2 3.43Å; L663-L729 HydrophobicContact CD1-CG 4.44Å
664N42.4Very low51.4Low85 Ų8583.3 Ų83.346%0.45543%0.427SS..  trans-115.6125.4170.5-172.9-42.1000109.4K666 F667N664-K666 HydrophobicContact CB-CG 4.44Å; N664-K666 PolarHBondContact O-N 3.4Å; N664-K666 VanDerWaalsContact OD1-CB 3.31Å; N664-K666 WeakPolarHBondContact OD1-CB 3.33Å; N664-K666 PolarHBondContact OD1-N 2.81Å; N664-F667 HydrophobicContact CB-CD2 3.81Å; N664-F667 HydrophobicContact CB-CE2 3.67Å; N664-F667 WeakPolarHBondContact O-CD2 3.33Å; N664-F667 PolarHBondContact O-N 2.87Å; N664-F667 VanDerWaalsContact O-N 3.13Å
665P43.5Very low53Low71 Ų7184 Ų8446%0.46143%0.428SS..G310 helixtrans-54.3-22.4178.5-25.433.2000114.5F667 G668P665-F667 PolarHBondContact O-N 3.38Å; P665-G668 PolarHBondContact O-N 2.87Å
666K40.5Very low54.6Low159 Ų15984 Ų8469%0.69143%0.429SS*.G310 helixtrans-55.8-20.2176.791175.5-168.2178.10113.7N664 G668N664-K666 HydrophobicContact CB-CG 4.44Å; N664-K666 PolarHBondContact O-N 3.4Å; N664-K666 VanDerWaalsContact OD1-CB 3.31Å; N664-K666 WeakPolarHBondContact OD1-CB 3.33Å; N664-K666 PolarHBondContact OD1-N 2.81Å; K666-G668 VanDerWaalsContact C-N 3.27Å; K666-G668 PolarHBondContact O-N 3.04Å
667F48.1Very low56.5Low132 Ų13288.3 Ų88.358%0.57944%0.443SS*.G310 helixtrans-83.53.3-179.4-60.8-63.8000113.7N664 P665 M669N664-F667 HydrophobicContact CB-CD2 3.81Å; N664-F667 HydrophobicContact CB-CE2 3.67Å; N664-F667 WeakPolarHBondContact O-CD2 3.33Å; N664-F667 PolarHBondContact O-N 2.87Å; N664-F667 VanDerWaalsContact O-N 3.13Å; P665-F667 PolarHBondContact O-N 3.38Å; F667-M669 PolarHBondContact O-N 3.1Å; F667-M669 VanDerWaalsContact O-N 3.14Å
668G54.5Low58.8Low23 Ų2388.3 Ų88.324%0.23744%0.441CS..SBendtrans69.610.4169.800000115.7P665 K666P665-G668 PolarHBondContact O-N 2.87Å; K666-G668 VanDerWaalsContact C-N 3.27Å; K666-G668 PolarHBondContact O-N 3.04Å
669M62.6Low61.3Low36 Ų3684.3 Ų84.318%0.17742%0.415CS..SBendtrans-73.2-39.5178.4-67.7-177.962.800112.9F667 S682 T709 F710 V713F667-M669 PolarHBondContact O-N 3.1Å; F667-M669 VanDerWaalsContact O-N 3.14Å; M669-S682 PolarHBondContact O-N 3.19Å; M669-T709 HydrophobicContact CE-CG2 3.41Å; M669-T709 VanDerWaalsContact CE-CG2 3.41Å; M669-T709 HydrophobicContact SD-CG2 3.52Å; M669-T709 VanDerWaalsContact SD-CG2 3.52Å; M669-F710 HydrophobicContact CB-CE1 4.4Å; M669-F710 HydrophobicContact CB-CZ 4.29Å; M669-F710 HydrophobicContact CE-CD1 4.19Å; M669-F710 HydrophobicContact CE-CE1 4.19Å; M669-F710 VanDerWaalsContact O-CZ 3.32Å; M669-F710 WeakPolarHBondContact O-CZ 2.99Å; M669-V713 HydrophobicContact CE-CG2 3.62Å
670F73.7Confident63.7Low22 Ų2280.4 Ų80.410%0.09639%0.394CS..EExtended strand (participates in β ladder)trans-124.8144.2-178.5-59.7-75.4000109.8I679 W680 F681 F710 V713 F731F670-I679 HydrophobicContact CB-CB 4.1Å; F670-I679 HydrophobicContact CD2-CD1 4.43Å; F670-I679 HydrophobicContact CG-CD1 4.34Å; F670-W680 CarbonylContact C-O 3.38Å; F670-W680 WeakPolarHBondContact CA-O 3.39Å; F670-W680 WeakPolarHBondContact CB-O 3.38Å; F670-F681 AromaticContact CE1-CD1 3.95Å; F670-F681 HydrophobicContact CE1-CD1 3.95Å; F670-F681 HydrophobicContact CE1-CE1 4.04Å; F670-F681 HydrophobicContact CE1-CG 4.33Å; F670-F681 HydrophobicContact CE1-CZ 4.49Å; F670-F710 HydrophobicContact CD1-CE1 4.31Å; F670-F710 HydrophobicContact CE1-CD1 4.13Å; F670-F710 AromaticContact CE1-CE1 3.71Å; F670-F710 HydrophobicContact CE1-CE1 3.71Å; F670-F710 AromaticContact CZ-CD1 4Å; F670-F710 HydrophobicContact CZ-CD1 4Å; F670-F710 AromaticContact CZ-CE1 3.83Å; F670-F710 HydrophobicContact CZ-CE1 3.83Å; F670-V713 HydrophobicContact CE2-CG2 4.46Å; F670-V713 HydrophobicContact CZ-CG1 4.33Å; F670-F731 AromaticContact CD1-CE1 3.76Å; F670-F731 HydrophobicContact CD1-CE1 3.76Å; F670-F731 HydrophobicContact CD1-CZ 4.01Å; F670-F731 AromaticContact CE1-CE1 3.54Å; F670-F731 HydrophobicContact CE1-CE1 3.54Å; F670-F731 AromaticContact CE1-CZ 3.46Å; F670-F731 HydrophobicContact CE1-CZ 3.46Å; F670-F731 VanDerWaalsContact CE1-CZ 3.46Å; F670-F731 HydrophobicContact CE2-CZ 4.29Å; F670-F731 HydrophobicContact CZ-CE1 4.2Å; F670-F731 AromaticContact CZ-CZ 3.63Å; F670-F731 HydrophobicContact CZ-CZ 3.63Å
671V74.8Confident66.2Low60 Ų6074.4 Ų74.436%0.36437%0.368SS..EExtended strand (participates in β ladder)trans-92.2127.3170-179.70000107.9Y673 I679 W680 S682V671-Y673 HydrophobicContact CB-CE2 4.26Å; V671-Y673 HydrophobicContact CG1-CD2 4.31Å; V671-Y673 HydrophobicContact CG1-CE2 4.11Å; V671-I679 WeakPolarHBondContact O-CA 3.18Å; V671-W680 PolarHBondContact N-O 2.89Å; V671-W680 PolarHBondContact O-N 3.16Å; V671-S682 WeakPolarHBondContact CG2-OG 3.38Å
672E79.4Confident68Low113 Ų11367.4 Ų67.453%0.52834%0.337SS..EExtended strand (participates in β ladder)trans-85.5124.8169.6-173.4179.8-177.900109.6S674 R678 I679E672-S674 PolarHBondContact O-N 3.41Å; E672-R678 WeakPolarHBondContact CA-O 3.49Å; E672-I679 HydrophobicContact CB-CG2 4.34Å; E672-I679 HydrophobicContact CG-CG2 4.49Å
673Y81.9Confident69.1Low54 Ų5467.8 Ų67.821%0.21234%0.339CS..EExtended strand (participates in β ladder)trans-89.1101.8174.1-76.6-111000107.9V671 E675 S676 R677 R678 W680 L752V671-Y673 HydrophobicContact CB-CE2 4.26Å; V671-Y673 HydrophobicContact CG1-CD2 4.31Å; V671-Y673 HydrophobicContact CG1-CE2 4.11Å; Y673-E675 PolarHBondContact O-N 3.35Å; Y673-E675 VanDerWaalsContact O-N 3.11Å; Y673-S676 WeakPolarHBondContact CB-OG 3.28Å; Y673-S676 PolarHBondContact O-N 2.77Å; Y673-S676 VanDerWaalsContact O-N 3.15Å; Y673-S676 PolarHBondContact O-OG 2.97Å; Y673-R677 WeakPolarHBondContact O-CA 3.44Å; Y673-R677 PolarHBondContact O-N 3.22Å; Y673-R678 PolarHBondContact N-O 3.22Å; Y673-W680 HydrophobicContact CD2-CB 4.39Å; Y673-W680 HydrophobicContact CE2-CB 3.85Å; Y673-L752 WeakPolarHBondContact CB-O 3.07Å; Y673-L752 HydrophobicContact CD1-CD1 4.32Å; Y673-L752 HydrophobicContact CD1-CG 4.18Å; Y673-L752 HydrophobicContact CD2-CD1 3.59Å; Y673-L752 HydrophobicContact CD2-CG 4.21Å; Y673-L752 HydrophobicContact CE1-CD2 4.47Å; Y673-L752 HydrophobicContact CE1-CG 4.12Å; Y673-L752 HydrophobicContact CE2-CD1 3.87Å; Y673-L752 HydrophobicContact CE2-CD2 4.27Å; Y673-L752 HydrophobicContact CE2-CG 4.17Å; Y673-L752 HydrophobicContact CG-CD1 3.84Å; Y673-L752 HydrophobicContact CG-CG 4.22Å
674S79.3Confident69.8Low103 Ų10365.6 Ų65.672%0.7233%0.329SS*.THydrogen-bonded Turntrans-57.9-29.6-172.356.10000114.2E672E672-S674 PolarHBondContact O-N 3.41Å
675E82.5Confident70.1Confident108 Ų10862.3 Ų62.351%0.50531%0.312SS..THydrogen-bonded Turntrans-67.1-44.2178.5-64.8-175.8172.500112.6Y673 P754 T755Y673-E675 PolarHBondContact O-N 3.35Å; Y673-E675 VanDerWaalsContact O-N 3.11Å; E675-P754 HydrophobicContact CB-CG 4.42Å; E675-T755 WeakPolarHBondContact OE1-CB 3.05Å; E675-T755 PolarHBondContact OE1-OG1 3.31Å; E675-T755 WeakPolarHBondContact OE2-CB 3.21Å; E675-T755 PolarHBondContact OE2-N 2.93Å; E675-T755 VanDerWaalsContact OE2-N 3.17Å; E675-T755 PolarHBondContact OE2-OG1 3.42Å
676S83.4Confident70.1Confident27 Ų2765.9 Ų65.919%0.18932%0.32CS..THydrogen-bonded Turntrans-98.7-12.7-175.860.70000113Y673 R678 E751 L752Y673-S676 WeakPolarHBondContact CB-OG 3.28Å; Y673-S676 PolarHBondContact O-N 2.77Å; Y673-S676 VanDerWaalsContact O-N 3.15Å; Y673-S676 PolarHBondContact O-OG 2.97Å; S676-R678 PolarHBondContact O-N 3.48Å; S676-R678 WeakPolarHBondContact OG-CB 3.28Å; S676-R678 PolarHBondContact OG-N 2.89Å; S676-E751 WeakPolarHBondContact CB-O 3.32Å; S676-L752 VanDerWaalsContact CB-O 3.3Å; S676-L752 WeakPolarHBondContact CB-O 3.38Å; S676-L752 PolarHBondContact OG-O 2.69Å
677R81.8Confident70.1Confident194 Ų19463.1 Ų63.173%0.73231%0.31SS*.THydrogen-bonded Turntrans53.327.7-168.7-54.3-179.7-176.6179.2-0112.3Y673Y673-R677 WeakPolarHBondContact O-CA 3.44Å; Y673-R677 PolarHBondContact O-N 3.22Å
678R85.4Confident69.9Low56 Ų5661.1 Ų61.121%0.21131%0.305CS..EExtended strand (participates in β ladder)trans-95.3152.1175.3-62.6-60.8-166.4-167.47110.1E672 Y673 S676 P730 E751 L752E672-R678 WeakPolarHBondContact CA-O 3.49Å; Y673-R678 PolarHBondContact N-O 3.22Å; S676-R678 PolarHBondContact O-N 3.48Å; S676-R678 WeakPolarHBondContact OG-CB 3.28Å; S676-R678 PolarHBondContact OG-N 2.89Å; R678-P730 CarbonylContact C-O 3.54Å; R678-P730 WeakPolarHBondContact CA-O 3.44Å; R678-P730 WeakPolarHBondContact CB-O 3.32Å; R678-P730 WeakPolarHBondContact CD-O 3.21Å; R678-E751 IonicContact CZ-OE1 3.88Å; R678-E751 IonicContact NE-OE1 3.51Å; R678-E751 PolarHBondContact NE-OE1 3.46Å; R678-E751 IonicContact NH2-OE1 2.7Å; R678-E751 PolarHBondContact NH2-OE1 3.08Å; R678-L752 HydrophobicContact CB-CD1 3.96Å
679I85.1Confident69.3Low17 Ų1764.1 Ų64.19%0.08732%0.318CS..EExtended strand (participates in β ladder)trans-105.4143.9171.661.4171.3000110.3F670 V671 E672 L729 P730 F731 P732F670-I679 HydrophobicContact CB-CB 4.1Å; F670-I679 HydrophobicContact CD2-CD1 4.43Å; F670-I679 HydrophobicContact CG-CD1 4.34Å; V671-I679 WeakPolarHBondContact O-CA 3.18Å; E672-I679 HydrophobicContact CB-CG2 4.34Å; E672-I679 HydrophobicContact CG-CG2 4.49Å; I679-L729 HydrophobicContact CD1-CD2 4.35Å; I679-P730 HydrophobicContact CD1-CG 4.34Å; I679-P730 HydrophobicContact CG1-CG 4.01Å; I679-P730 HydrophobicContact CG2-CG 4.12Å; I679-P730 PolarHBondContact N-O 2.87Å; I679-F731 HydrophobicContact CD1-CD1 4.33Å; I679-F731 HydrophobicContact CD1-CE1 3.92Å; I679-F731 HydrophobicContact CD1-CE2 4.17Å; I679-F731 HydrophobicContact CD1-CZ 3.83Å; I679-F731 HydrophobicContact CG1-CD1 3.84Å; I679-F731 HydrophobicContact CG1-CE1 3.81Å; I679-F731 HydrophobicContact CG1-CG 4.28Å; I679-F731 HydrophobicContact CG1-CZ 4.24Å; I679-F731 VanDerWaalsContact O-CD1 3.31Å; I679-F731 WeakPolarHBondContact O-CD1 3.42Å; I679-P732 WeakPolarHBondContact O-CD 3.49Å
680W87.6Confident68.1Low3 Ų370.6 Ų70.61%0.01134%0.342CS..EExtended strand (participates in β ladder)trans-139.6162.8172.9-160.2-117.1000111.5F670 V671 Y673 S682 F731 P732 A734 L735 K738 L752 L820F670-W680 CarbonylContact C-O 3.38Å; F670-W680 WeakPolarHBondContact CA-O 3.39Å; F670-W680 WeakPolarHBondContact CB-O 3.38Å; V671-W680 PolarHBondContact N-O 2.89Å; V671-W680 PolarHBondContact O-N 3.16Å; Y673-W680 HydrophobicContact CD2-CB 4.39Å; Y673-W680 HydrophobicContact CE2-CB 3.85Å; W680-S682 PolarHBondContact O-N 2.99Å; W680-F731 HydrophobicContact CE3-CD1 4.4Å; W680-P732 HydrophobicContact CE3-CG 3.54Å; W680-P732 HydrophobicContact CZ3-CG 3.51Å; W680-A734 HydrophobicContact CH2-CB 3.78Å; W680-A734 HydrophobicContact CZ3-CB 4.11Å; W680-L735 HydrophobicContact CH2-CB 4.34Å; W680-L735 HydrophobicContact CZ3-CB 3.93Å; W680-K738 HydrophobicContact CH2-CD 4.05Å; W680-K738 HydrophobicContact CZ2-CD 4.14Å; W680-L752 HydrophobicContact CB-CD1 3.79Å; W680-L752 HydrophobicContact CB-CD2 3.92Å; W680-L752 HydrophobicContact CD2-CD2 3.99Å; W680-L752 HydrophobicContact CG-CD1 4.36Å; W680-L752 HydrophobicContact CG-CD2 3.67Å; W680-L820 HydrophobicContact CZ2-CB 4.46Å; W680-L820 HydrophobicContact CZ2-CD2 3.8Å
681F84.4Confident66.4Low5 Ų575 Ų752%0.02236%0.362CS..EExtended strand (participates in β ladder)trans-58.8129.1-179.3-62.6-95.7000110.4F670 N683 F710 L735 I824 L827 F828 F831F670-F681 AromaticContact CE1-CD1 3.95Å; F670-F681 HydrophobicContact CE1-CD1 3.95Å; F670-F681 HydrophobicContact CE1-CE1 4.04Å; F670-F681 HydrophobicContact CE1-CG 4.33Å; F670-F681 HydrophobicContact CE1-CZ 4.49Å; F681-N683 PolarHBondContact O-N 3.3Å; F681-F710 AromaticContact CD1-CD1 3.59Å; F681-F710 HydrophobicContact CD1-CD1 3.59Å; F681-F710 AromaticContact CD1-CE1 3.47Å; F681-F710 HydrophobicContact CD1-CE1 3.47Å; F681-F710 VanDerWaalsContact CD1-CE1 3.47Å; F681-F710 HydrophobicContact CD1-CG 4.49Å; F681-F710 HydrophobicContact CD1-CZ 4.3Å; F681-F710 AromaticContact CE1-CD1 3.61Å; F681-F710 HydrophobicContact CE1-CD1 3.61Å; F681-F710 AromaticContact CE1-CE1 3.98Å; F681-F710 HydrophobicContact CE1-CE1 3.98Å; F681-F710 HydrophobicContact CE1-CG 4.46Å; F681-L735 HydrophobicContact CE2-CD1 3.78Å; F681-L735 HydrophobicContact CZ-CD1 3.98Å; F681-I824 HydrophobicContact CB-CB 3.91Å; F681-I824 HydrophobicContact CB-CG2 3.71Å; F681-I824 HydrophobicContact CD2-CD1 4.35Å; F681-I824 HydrophobicContact CG-CB 4.45Å; F681-L827 HydrophobicContact CB-CD1 4.41Å; F681-L827 HydrophobicContact CD1-CB 3.87Å; F681-F828 HydrophobicContact CE2-CD2 4.17Å; F681-F828 HydrophobicContact CZ-CB 4.4Å; F681-F828 HydrophobicContact CZ-CD2 4.14Å; F681-F831 HydrophobicContact CE1-CB 3.9Å; F681-F831 HydrophobicContact CE1-CG 4.27Å; F681-F831 HydrophobicContact CZ-CB 4.01Å; F681-F831 HydrophobicContact CZ-CD1 4.32Å; F681-F831 HydrophobicContact CZ-CD2 4.44Å; F681-F831 HydrophobicContact CZ-CG 4.01Å
682S71.3Confident64.7Low13 Ų1376.5 Ų76.59%0.09138%0.38CS..  trans-75.2120.5172.8-161.80000109.9M669 V671 W680 V684 L827M669-S682 PolarHBondContact O-N 3.19Å; V671-S682 WeakPolarHBondContact CG2-OG 3.38Å; W680-S682 PolarHBondContact O-N 2.99Å; S682-V684 PolarHBondContact O-N 3.37Å; S682-V684 PolarHBondContact OG-N 2.96Å; S682-V684 PolarHBondContact OG-O 3.48Å; S682-L827 WeakPolarHBondContact O-CD1 3.47Å
683N65.7Low63Low73 Ų7375.6 Ų75.639%0.3939%0.386SS..SBendtrans-76.7-1172.164.7-26.3000112.7F681 I824F681-N683 PolarHBondContact O-N 3.3Å; N683-I824 HydrophobicContact CB-CG2 4.38Å
684V57.3Low60.6Low24 Ų2481.6 Ų81.615%0.14541%0.409CS..SBendtrans-145.3123.6-179.3-161.80000109.8S682 V785 F786S682-V684 PolarHBondContact O-N 3.37Å; S682-V684 PolarHBondContact OG-N 2.96Å; S682-V684 PolarHBondContact OG-O 3.48Å; V684-V785 HydrophobicContact CB-CG1 4.4Å; V684-V785 HydrophobicContact CG1-CG1 3.64Å; V684-V785 HydrophobicContact CG2-CB 4.32Å; V684-V785 HydrophobicContact CG2-CG1 3.84Å; V684-V785 HydrophobicContact CG2-CG2 4.01Å; V684-F786 HydrophobicContact CB-CE2 4.3Å; V684-F786 HydrophobicContact CG1-CD2 3.54Å; V684-F786 HydrophobicContact CG1-CE2 3.08Å; V684-F786 HydrophobicContact CG1-CZ 3.74Å
685T49.9Very low58.6Low15 Ų1581.9 Ų81.99%0.09240%0.402CS..  trans-113.5149.5-177.3620000112.1E687 D688 Q706 F786T685-E687 PolarHBondContact O-N 3.21Å; T685-D688 PolarHBondContact N-OD2 2.97Å; T685-D688 WeakPolarHBondContact O-CB 3.37Å; T685-D688 PolarHBondContact O-N 2.98Å; T685-D688 PolarHBondContact OG1-OD2 3.48Å; T685-D688 VanDerWaalsContact OG1-OD2 3.12Å; T685-Q706 PolarHBondContact OG1-NE2 3.25Å; T685-F786 VanDerWaalsContact O-CZ 3.25Å; T685-F786 WeakPolarHBondContact O-CZ 3.49Å
686F42.4Very low56.8Low146 Ų14680.8 Ų80.864%0.6441%0.411SS*.THydrogen-bonded Turntrans-53.1-20.8-173.3-148.9-91.2000113.9Y690 F786F686-Y690 HydrophobicContact CD1-CD2 4.49Å; F686-Y690 HydrophobicContact CE1-CD2 4.11Å; F686-Y690 HydrophobicContact CE1-CE2 4.19Å; F686-F786 HydrophobicContact CD2-CE1 4.49Å
687E41.5Very low54.7Low102 Ų10284.2 Ų84.248%0.47744%0.435SS..Hα-helixtrans-86.6-14.8-178.7-64.1-176.7158.900114.4T685 V689 L702T685-E687 PolarHBondContact O-N 3.21Å; E687-V689 PolarHBondContact O-N 3.37Å; E687-L702 WeakPolarHBondContact OE2-CD2 3.5Å
688D43.9Very low52.7Low90 Ų9077.8 Ų77.848%0.48142%0.418SS..Hα-helixtrans-65.2-23.4178.2-71.3-47.7000112.4T685T685-D688 PolarHBondContact N-OD2 2.97Å; T685-D688 WeakPolarHBondContact O-CB 3.37Å; T685-D688 PolarHBondContact O-N 2.98Å; T685-D688 PolarHBondContact OG1-OD2 3.48Å; T685-D688 VanDerWaalsContact OG1-OD2 3.12Å
689V42.6Very low50.2Low85 Ų8584.7 Ų84.752%0.51544%0.444SS..Hα-helixtrans-107.6-41-173.6-179.30000113.3E687 F691 F786E687-V689 PolarHBondContact O-N 3.37Å; V689-F691 VanDerWaalsContact C-N 3.35Å; V689-F691 PolarHBondContact O-N 2.93Å; V689-F786 HydrophobicContact CB-CD2 4.49Å; V689-F786 HydrophobicContact CB-CE2 4.44Å; V689-F786 HydrophobicContact CG2-CD2 3.34Å; V689-F786 HydrophobicContact CG2-CE2 3.46Å; V689-F786 VanDerWaalsContact CG2-CE2 3.46Å; V689-F786 HydrophobicContact CG2-CG 4.19Å; V689-F786 HydrophobicContact CG2-CZ 4.44Å
690Y37.2Very low47.5Very low173 Ų17392.4 Ų92.468%0.67848%0.477SS*.Hα-helixtrans-70-26.6-171.2-108.9-83.4000114.5F686F686-Y690 HydrophobicContact CD1-CD2 4.49Å; F686-Y690 HydrophobicContact CE1-CD2 4.11Å; F686-Y690 HydrophobicContact CE1-CE2 4.19Å
691F37.1Very low44.8Very low114 Ų11495.6 Ų95.650%0.550%0.5SS..THydrogen-bonded Turntrans-1043.3-178-77.6-77.9000115V689 S693 W694V689-F691 VanDerWaalsContact C-N 3.35Å; V689-F691 PolarHBondContact O-N 2.93Å; F691-S693 PolarHBondContact O-N 2.9Å; F691-W694 PolarHBondContact O-N 3.13Å; F691-W694 VanDerWaalsContact O-N 3.13Å
692A40Very low42.4Very low92 Ų9298 Ų9876%0.7651%0.512SS*.THydrogen-bonded Turntrans-60.4-15.2173.500000113.3
693S43.3Very low40.5Very low93 Ų93105.7 Ų105.765%0.6555%0.545SS*.THydrogen-bonded Turntrans-98.5-4177.263.30000115.7F691F691-S693 PolarHBondContact O-N 2.9Å
694W30.8Very low39.1Very low180 Ų180105.8 Ų105.868%0.68255%0.548SS*.SBendtrans-128.9115.5-176.7-82.162.8000113.9F691F691-W694 PolarHBondContact O-N 3.13Å; F691-W694 VanDerWaalsContact O-N 3.13Å
695N38.7Very low38.3Very low110 Ų110111 Ų11159%0.58857%0.569SS**  trans41117.5151.7-49-7.3000118.7S697 V698N695-S697 PolarHBondContact O-N 3.38Å; N695-V698 PolarHBondContact O-N 3.29Å
696A44.5Very low38.5Very low84 Ų84113 Ų11369%0.69458%0.577SS**THydrogen-bonded Turntrans-54.3-16.4-175.300000117.1R699A696-R699 VanDerWaalsContact O-CB 3.23Å; A696-R699 WeakPolarHBondContact O-CB 3.32Å; A696-R699 PolarHBondContact O-N 3.08Å
697S38.6Very low39.3Very low99 Ų99109 Ų10969%0.69257%0.565SS**THydrogen-bonded Turntrans-73.5-27178.8470000113.7N695 R699N695-S697 PolarHBondContact O-N 3.38Å; S697-R699 VanDerWaalsContact C-N 3.35Å
698V40.7Very low40.4Very low60 Ų60108.9 Ų108.936%0.36456%0.563SS.*THydrogen-bonded Turntrans-80.7-22.6174.7-175.90000111.2N695 F700 S701 L702N695-V698 PolarHBondContact O-N 3.29Å; V698-F700 PolarHBondContact O-N 3.16Å; V698-S701 PolarHBondContact O-N 3.32Å; V698-L702 HydrophobicContact CG1-CD1 3.75Å; V698-L702 PolarHBondContact O-N 3.32Å
699R30.8Very low41.4Very low201 Ų201106.7 Ų106.776%0.75855%0.554SS**Hα-helixtrans-59.1-28.5177.3-135.4179.8-170.4-162.22.6113A696 S697A696-R699 VanDerWaalsContact O-CB 3.23Å; A696-R699 WeakPolarHBondContact O-CB 3.32Å; A696-R699 PolarHBondContact O-N 3.08Å; S697-R699 VanDerWaalsContact C-N 3.35Å
700F30.3Very low43Very low179 Ų179102.9 Ų102.979%0.78553%0.53SS*.Hα-helixtrans-85.7-26.2-175.3-150.5-93.7000113.9V698 V704V698-F700 PolarHBondContact O-N 3.16Å; F700-V704 WeakPolarHBondContact O-CG2 3.24Å
701S29.5Very low45Very low70 Ų7097.1 Ų97.149%0.4951%0.509SS..Hα-helixtrans-87.7-26.917775.90000113.2V698V698-S701 PolarHBondContact O-N 3.32Å
702L34.1Very low46.6Very low54 Ų5492.9 Ų92.928%0.28349%0.491SS..Hα-helixtrans-87.6-33.8-174.7-99.991.1000114.9E687 V698 V704 F705E687-L702 WeakPolarHBondContact OE2-CD2 3.5Å; V698-L702 HydrophobicContact CG1-CD1 3.75Å; V698-L702 PolarHBondContact O-N 3.32Å; L702-V704 PolarHBondContact O-N 2.79Å; L702-F705 PolarHBondContact O-N 3.32Å
703F32.4Very low48.4Very low176 Ų17688.5 Ų88.577%0.77246%0.455SS*.THydrogen-bonded Turntrans-60.5-19.2173.2-128.5-88000112.2
704V35.4Very low50.3Low75 Ų7584.1 Ų84.146%0.45542%0.424SS..THydrogen-bonded Turntrans-82.7-17.3179.9-179.50000112.9F700 L702F700-V704 WeakPolarHBondContact O-CG2 3.24Å; L702-V704 PolarHBondContact O-N 2.79Å
705F41.2Very low52.5Low133 Ų13376.7 Ų76.758%0.58340%0.397SS*.THydrogen-bonded Turntrans-83.3-31.1-175.2-105.5-88000114L702 K708 T709L702-F705 PolarHBondContact O-N 3.32Å; F705-K708 PolarHBondContact O-N 3.33Å; F705-T709 PolarHBondContact O-N 3.38Å; F705-T709 PolarHBondContact O-OG1 3.42Å
706Q53.5Low54Low56 Ų5673.5 Ų73.526%0.26238%0.38SS..Hα-helixtrans-71.2-49.8-162.3-61-149.9-18.100116.2T685 K708 T709 F710T685-Q706 PolarHBondContact OG1-NE2 3.25Å; Q706-K708 PolarHBondContact O-N 3.02Å; Q706-T709 PolarHBondContact O-N 3.39Å; Q706-F710 WeakPolarHBondContact O-CD2 3.43Å
707P59.8Low55.6Low62 Ų6269.7 Ų69.740%0.40335%0.348SS..Hα-helixtrans-63-33.3178-21.133.1000111.8T709 F710 Q711 A830P707-T709 VanDerWaalsContact C-N 3.31Å; P707-T709 PolarHBondContact O-N 2.84Å; P707-F710 PolarHBondContact O-N 3.34Å; P707-Q711 WeakPolarHBondContact O-CB 3.35Å; P707-Q711 PolarHBondContact O-N 2.77Å; P707-A830 HydrophobicContact CB-CB 3.86Å; P707-A830 VanDerWaalsContact O-CB 3.23Å; P707-A830 WeakPolarHBondContact O-CB 3.24Å
708K64.9Low57.4Low100 Ų10065 Ų6544%0.43532%0.315SS..Hα-helixtrans-64.1-35.1-177.7-68.1-174.1179.9179.80112.5F705 Q706 Q711 F712F705-K708 PolarHBondContact O-N 3.33Å; Q706-K708 PolarHBondContact O-N 3.02Å; K708-Q711 PolarHBondContact O-N 2.77Å; K708-F712 WeakPolarHBondContact O-CB 3.42Å; K708-F712 PolarHBondContact O-N 3.06Å
709T64.2Low58.7Low45 Ų4563.6 Ų63.628%0.27631%0.305SS..Hα-helixtrans-71-44179.4-40.90000111.2M669 F705 Q706 P707 Q711 F712 V713M669-T709 HydrophobicContact CE-CG2 3.41Å; M669-T709 VanDerWaalsContact CE-CG2 3.41Å; M669-T709 HydrophobicContact SD-CG2 3.52Å; M669-T709 VanDerWaalsContact SD-CG2 3.52Å; F705-T709 PolarHBondContact O-N 3.38Å; F705-T709 PolarHBondContact O-OG1 3.42Å; Q706-T709 PolarHBondContact O-N 3.39Å; P707-T709 VanDerWaalsContact C-N 3.31Å; P707-T709 PolarHBondContact O-N 2.84Å; T709-Q711 VanDerWaalsContact C-N 3.32Å; T709-Q711 PolarHBondContact O-N 3.19Å; T709-F712 WeakPolarHBondContact O-CA 3.37Å; T709-F712 VanDerWaalsContact O-CB 3.32Å; T709-F712 WeakPolarHBondContact O-CB 3.26Å; T709-F712 PolarHBondContact O-N 3.15Å; T709-F712 VanDerWaalsContact O-N 3.08Å; T709-V713 WeakPolarHBondContact O-CG2 3.26Å; T709-V713 PolarHBondContact O-N 3.17Å
710F76.9Confident60.5Low5 Ų554.4 Ų54.42%0.02227%0.272CS..Hα-helixtrans-63-40173.3-71.9-75.3000111.8M669 F670 F681 Q706 P707 F712 V713 G714 L827 A830 F831M669-F710 HydrophobicContact CB-CE1 4.4Å; M669-F710 HydrophobicContact CB-CZ 4.29Å; M669-F710 HydrophobicContact CE-CD1 4.19Å; M669-F710 HydrophobicContact CE-CE1 4.19Å; M669-F710 VanDerWaalsContact O-CZ 3.32Å; M669-F710 WeakPolarHBondContact O-CZ 2.99Å; F670-F710 HydrophobicContact CD1-CE1 4.31Å; F670-F710 HydrophobicContact CE1-CD1 4.13Å; F670-F710 AromaticContact CE1-CE1 3.71Å; F670-F710 HydrophobicContact CE1-CE1 3.71Å; F670-F710 AromaticContact CZ-CD1 4Å; F670-F710 HydrophobicContact CZ-CD1 4Å; F670-F710 AromaticContact CZ-CE1 3.83Å; F670-F710 HydrophobicContact CZ-CE1 3.83Å; F681-F710 AromaticContact CD1-CD1 3.59Å; F681-F710 HydrophobicContact CD1-CD1 3.59Å; F681-F710 AromaticContact CD1-CE1 3.47Å; F681-F710 HydrophobicContact CD1-CE1 3.47Å; F681-F710 VanDerWaalsContact CD1-CE1 3.47Å; F681-F710 HydrophobicContact CD1-CG 4.49Å; F681-F710 HydrophobicContact CD1-CZ 4.3Å; F681-F710 AromaticContact CE1-CD1 3.61Å; F681-F710 HydrophobicContact CE1-CD1 3.61Å; F681-F710 AromaticContact CE1-CE1 3.98Å; F681-F710 HydrophobicContact CE1-CE1 3.98Å; F681-F710 HydrophobicContact CE1-CG 4.46Å; Q706-F710 WeakPolarHBondContact O-CD2 3.43Å; P707-F710 PolarHBondContact O-N 3.34Å; F710-F712 VanDerWaalsContact C-N 3.28Å; F710-F712 PolarHBondContact O-N 3.23Å; F710-V713 PolarHBondContact O-N 3.28Å; F710-G714 PolarHBondContact O-N 2.89Å; F710-L827 WeakPolarHBondContact CB-O 3.5Å; F710-L827 HydrophobicContact CD2-CB 4.04Å; F710-L827 HydrophobicContact CD2-CD2 3.86Å; F710-L827 HydrophobicContact CD2-CG 4.42Å; F710-L827 HydrophobicContact CE2-CB 4.09Å; F710-L827 HydrophobicContact CE2-CD1 4.05Å; F710-L827 HydrophobicContact CE2-CD2 3.66Å; F710-L827 HydrophobicContact CE2-CG 4.13Å; F710-L827 HydrophobicContact CG-CB 4.28Å; F710-L827 HydrophobicContact CZ-CB 4.34Å; F710-L827 HydrophobicContact CZ-CD1 4.09Å; F710-L827 HydrophobicContact CZ-CD2 4.5Å; F710-A830 HydrophobicContact CB-CB 4.19Å; F710-F831 HydrophobicContact CB-CB 4.29Å; F710-F831 WeakPolarHBondContact O-CA 3.36Å
711Q78.1Confident62.5Low52 Ų5247.2 Ų47.224%0.24324%0.242CC..Hα-helixtrans-58.1-40.7170.5-173.417949.100112.1P707 K708 T709 G714 I715 A830 G834P707-Q711 WeakPolarHBondContact O-CB 3.35Å; P707-Q711 PolarHBondContact O-N 2.77Å; K708-Q711 PolarHBondContact O-N 2.77Å; T709-Q711 VanDerWaalsContact C-N 3.32Å; T709-Q711 PolarHBondContact O-N 3.19Å; Q711-G714 PolarHBondContact O-N 3.33Å; Q711-I715 HydrophobicContact CG-CD1 4.32Å; Q711-I715 VanDerWaalsContact O-CG1 3.31Å; Q711-I715 WeakPolarHBondContact O-CG1 3.48Å; Q711-I715 PolarHBondContact O-N 2.73Å; Q711-A830 WeakPolarHBondContact CA-O 3.29Å; Q711-A830 HydrophobicContact CB-CB 4.42Å; Q711-A830 WeakPolarHBondContact CB-O 3.27Å; Q711-G834 VanDerWaalsContact O-CA 3.3Å; Q711-G834 WeakPolarHBondContact O-CA 3.48Å
712F71.5Confident64.2Low24 Ų2449.9 Ų49.911%0.10524%0.242CC..Hα-helixtrans-63.4-45.2175-177.3-103.5000112.1L647 L662 K708 T709 F710 G714 I715 L716L647-F712 HydrophobicContact CD1-CE2 4.19Å; L647-F712 HydrophobicContact CD1-CZ 4.28Å; L662-F712 HydrophobicContact CD1-CE1 3.91Å; L662-F712 HydrophobicContact CD1-CZ 4.32Å; L662-F712 HydrophobicContact CD2-CD1 4.07Å; L662-F712 HydrophobicContact CD2-CE1 3.61Å; L662-F712 HydrophobicContact CG-CE1 4.27Å; K708-F712 WeakPolarHBondContact O-CB 3.42Å; K708-F712 PolarHBondContact O-N 3.06Å; T709-F712 WeakPolarHBondContact O-CA 3.37Å; T709-F712 VanDerWaalsContact O-CB 3.32Å; T709-F712 WeakPolarHBondContact O-CB 3.26Å; T709-F712 PolarHBondContact O-N 3.15Å; T709-F712 VanDerWaalsContact O-N 3.08Å; F710-F712 VanDerWaalsContact C-N 3.28Å; F710-F712 PolarHBondContact O-N 3.23Å; F712-G714 VanDerWaalsContact C-N 3.28Å; F712-G714 PolarHBondContact O-N 2.87Å; F712-I715 WeakPolarHBondContact O-CB 3.03Å; F712-I715 PolarHBondContact O-N 3Å; F712-I715 VanDerWaalsContact O-N 3.15Å; F712-L716 HydrophobicContact CD1-CD1 3.89Å; F712-L716 HydrophobicContact CD1-CG 4.24Å; F712-L716 HydrophobicContact CE1-CD1 3.43Å; F712-L716 VanDerWaalsContact CE1-CD1 3.43Å; F712-L716 HydrophobicContact CE1-CD2 4.26Å; F712-L716 HydrophobicContact CE1-CG 3.89Å; F712-L716 HydrophobicContact CE2-CD2 4.48Å; F712-L716 HydrophobicContact CZ-CD1 4.01Å; F712-L716 HydrophobicContact CZ-CD2 3.97Å; F712-L716 HydrophobicContact CZ-CG 4.06Å; F712-L716 WeakPolarHBondContact O-CG 3.44Å; F712-L716 PolarHBondContact O-N 3.45Å
713V77.3Confident65.5Low1 Ų150.4 Ų50.41%0.00625%0.245CC..Hα-helixtrans-59.4-41.8174.4-171.90000110.9L663 M669 F670 T709 F710 I715 L716 C717 F831L663-V713 HydrophobicContact CD1-CG1 4.07Å; L663-V713 HydrophobicContact CD2-CG1 4.22Å; L663-V713 HydrophobicContact CD2-CG2 3.75Å; M669-V713 HydrophobicContact CE-CG2 3.62Å; F670-V713 HydrophobicContact CE2-CG2 4.46Å; F670-V713 HydrophobicContact CZ-CG1 4.33Å; T709-V713 WeakPolarHBondContact O-CG2 3.26Å; T709-V713 PolarHBondContact O-N 3.17Å; F710-V713 PolarHBondContact O-N 3.28Å; V713-I715 PolarHBondContact O-N 3.15Å; V713-L716 WeakPolarHBondContact O-CB 3.38Å; V713-L716 PolarHBondContact O-N 3.29Å; V713-C717 PolarHBondContact O-N 3.44Å; V713-C717 PolarHBondContact O-SG 3.47Å; V713-C717 VanDerWaalsContact O-SG 3.38Å; V713-F831 HydrophobicContact CB-CD2 4.15Å; V713-F831 HydrophobicContact CB-CE2 4.27Å; V713-F831 HydrophobicContact CG1-CD2 4.23Å; V713-F831 HydrophobicContact CG1-CE2 3.89Å
714G83.1Confident67.1Low0 Ų044.7 Ų44.70%024%0.236CC..Hα-helixtrans-57.1-48.6173.300000112.7F710 Q711 F712 L716 C717 G718 F831 F835F710-G714 PolarHBondContact O-N 2.89Å; Q711-G714 PolarHBondContact O-N 3.33Å; F712-G714 VanDerWaalsContact C-N 3.28Å; F712-G714 PolarHBondContact O-N 2.87Å; G714-L716 VanDerWaalsContact C-N 3.31Å; G714-L716 PolarHBondContact O-N 3.07Å; G714-C717 PolarHBondContact O-N 3.27Å; G714-G718 PolarHBondContact O-N 2.96Å; G714-F831 WeakPolarHBondContact CA-O 3.37Å; G714-F835 VanDerWaalsContact C-N 3.31Å; G714-F835 VanDerWaalsContact O-CA 3.22Å; G714-F835 WeakPolarHBondContact O-CA 3.27Å; G714-F835 PolarHBondContact O-N 3.13Å
715I77.4Confident68.6Low24 Ų2444.9 Ų44.912%0.12324%0.237CC..Hα-helixtrans-58.2-44.4176.4-69.2166.5000110.5Q711 F712 V713 G718 L719 G834 V838Q711-I715 HydrophobicContact CG-CD1 4.32Å; Q711-I715 VanDerWaalsContact O-CG1 3.31Å; Q711-I715 WeakPolarHBondContact O-CG1 3.48Å; Q711-I715 PolarHBondContact O-N 2.73Å; F712-I715 WeakPolarHBondContact O-CB 3.03Å; F712-I715 PolarHBondContact O-N 3Å; F712-I715 VanDerWaalsContact O-N 3.15Å; V713-I715 PolarHBondContact O-N 3.15Å; I715-G718 PolarHBondContact O-N 3.09Å; I715-L719 HydrophobicContact CG2-CD1 3.91Å; I715-L719 HydrophobicContact CG2-CG 4.29Å; I715-L719 WeakPolarHBondContact O-CB 3.46Å; I715-L719 WeakPolarHBondContact O-CG 3.5Å; I715-L719 PolarHBondContact O-N 3.33Å; I715-G834 WeakPolarHBondContact CA-O 3.38Å; I715-G834 WeakPolarHBondContact CG1-O 3.3Å; I715-G834 PolarHBondContact N-O 2.95Å; I715-V838 HydrophobicContact CB-CG2 4.47Å; I715-V838 HydrophobicContact CG2-CG2 3.95Å
716L70.4Confident70Confident44 Ų4440.2 Ų40.223%0.2322%0.218CC..Hα-helixtrans-61.1-45.7178.4-70.3-179.9000112L662 F712 V713 G714 G718 L719 A720L662-L716 HydrophobicContact CB-CD1 4.44Å; F712-L716 HydrophobicContact CD1-CD1 3.89Å; F712-L716 HydrophobicContact CD1-CG 4.24Å; F712-L716 HydrophobicContact CE1-CD1 3.43Å; F712-L716 VanDerWaalsContact CE1-CD1 3.43Å; F712-L716 HydrophobicContact CE1-CD2 4.26Å; F712-L716 HydrophobicContact CE1-CG 3.89Å; F712-L716 HydrophobicContact CE2-CD2 4.48Å; F712-L716 HydrophobicContact CZ-CD1 4.01Å; F712-L716 HydrophobicContact CZ-CD2 3.97Å; F712-L716 HydrophobicContact CZ-CG 4.06Å; F712-L716 WeakPolarHBondContact O-CG 3.44Å; F712-L716 PolarHBondContact O-N 3.45Å; V713-L716 WeakPolarHBondContact O-CB 3.38Å; V713-L716 PolarHBondContact O-N 3.29Å; G714-L716 VanDerWaalsContact C-N 3.31Å; G714-L716 PolarHBondContact O-N 3.07Å; L716-G718 VanDerWaalsContact C-N 3.32Å; L716-G718 PolarHBondContact O-N 2.84Å; L716-L719 PolarHBondContact O-N 3.13Å; L716-A720 WeakPolarHBondContact O-CB 3.39Å; L716-A720 PolarHBondContact O-N 3.39Å
717C78Confident70.9Confident4 Ų439.7 Ų39.73%0.02722%0.219CC..Hα-helixtrans-60.4-42.9175.1-67.80000111.7V713 G714 L719 A720 I721 L729 F831 F835V713-C717 PolarHBondContact O-N 3.44Å; V713-C717 PolarHBondContact O-SG 3.47Å; V713-C717 VanDerWaalsContact O-SG 3.38Å; G714-C717 PolarHBondContact O-N 3.27Å; C717-L719 PolarHBondContact O-N 3.41Å; C717-A720 PolarHBondContact O-N 2.98Å; C717-I721 PolarHBondContact O-N 3.31Å; C717-L729 WeakPolarHBondContact SG-CD1 3.33Å; C717-F831 HydrophobicContact CB-CZ 4.42Å; C717-F835 HydrophobicContact CB-CD2 3.79Å; C717-F835 HydrophobicContact CB-CE2 4.04Å
718G76.9Confident71.4Confident0 Ų040.5 Ų40.50%023%0.231CC..Hα-helixtrans-63.4-39.7176.200000112.9G714 I715 L716 Y722 V838G714-G718 PolarHBondContact O-N 2.96Å; I715-G718 PolarHBondContact O-N 3.09Å; L716-G718 VanDerWaalsContact C-N 3.32Å; L716-G718 PolarHBondContact O-N 2.84Å; G718-Y722 WeakPolarHBondContact O-CB 3.47Å; G718-Y722 PolarHBondContact O-N 2.9Å; G718-V838 VanDerWaalsContact C-CG1 3.49Å; G718-V838 WeakPolarHBondContact O-CG1 3.36Å
719L67.6Low72Confident30 Ų3036.2 Ų36.216%0.15721%0.212CC..Hα-helixtrans-66.8-38.7174.8-76.6172.3000111.8L655 I715 L716 C717 Y722 N723 V838L655-L719 WeakPolarHBondContact O-CD2 3.33Å; I715-L719 HydrophobicContact CG2-CD1 3.91Å; I715-L719 HydrophobicContact CG2-CG 4.29Å; I715-L719 WeakPolarHBondContact O-CB 3.46Å; I715-L719 WeakPolarHBondContact O-CG 3.5Å; I715-L719 PolarHBondContact O-N 3.33Å; L716-L719 PolarHBondContact O-N 3.13Å; C717-L719 PolarHBondContact O-N 3.41Å; L719-Y722 PolarHBondContact O-N 2.95Å; L719-N723 WeakPolarHBondContact O-CB 3.4Å; L719-N723 PolarHBondContact O-N 3.36Å; L719-N723 PolarHBondContact O-ND2 3.19Å; L719-V838 HydrophobicContact CD2-CG1 3.94Å; L719-V838 HydrophobicContact CD2-CG2 4.29Å; L719-V838 HydrophobicContact CG-CG1 4.26Å; L719-V838 HydrophobicContact CG-CG2 4.02Å
720A68.7Low72.7Confident8 Ų836.2 Ų36.27%0.06621%0.213CC..Hα-helixtrans-61.1-49.6178.900000111.1L716 C717 Y722 N723 G724 V725 V727L716-A720 WeakPolarHBondContact O-CB 3.39Å; L716-A720 PolarHBondContact O-N 3.39Å; C717-A720 PolarHBondContact O-N 2.98Å; A720-Y722 VanDerWaalsContact C-N 3.35Å; A720-Y722 PolarHBondContact O-N 3.44Å; A720-N723 CarbonylContact O-C 3.56Å; A720-N723 PolarHBondContact O-N 3.37Å; A720-G724 PolarHBondContact O-N 3.49Å; A720-V725 CarbonylContact C-O 3.52Å; A720-V725 WeakPolarHBondContact CB-O 3.17Å; A720-V725 PolarHBondContact O-N 2.7Å; A720-V727 HydrophobicContact CB-CG2 3.29Å
721I71.3Confident73.2Confident29 Ų2936 Ų3615%0.14921%0.212CC..Hα-helixtrans-57.8-47.9173.2-66.6167.8000110.8C717 N723 G724 F835 L839 L852 L855 V856C717-I721 PolarHBondContact O-N 3.31Å; I721-N723 PolarHBondContact O-N 3.26Å; I721-G724 PolarHBondContact O-N 3.39Å; I721-G724 VanDerWaalsContact O-N 3.09Å; I721-F835 HydrophobicContact CD1-CE2 3.75Å; I721-F835 HydrophobicContact CD1-CZ 3.58Å; I721-L839 HydrophobicContact CB-CD1 3.99Å; I721-L839 HydrophobicContact CB-CD2 4.14Å; I721-L839 HydrophobicContact CD1-CD1 3.42Å; I721-L839 VanDerWaalsContact CD1-CD1 3.42Å; I721-L839 HydrophobicContact CG1-CD1 4.28Å; I721-L839 HydrophobicContact CG2-CD1 4.11Å; I721-L839 HydrophobicContact CG2-CD2 3.8Å; I721-L852 HydrophobicContact CD1-CD1 4.41Å; I721-L855 HydrophobicContact CG1-CB 4.42Å; I721-V856 HydrophobicContact CD1-CG2 3.43Å; I721-V856 VanDerWaalsContact CD1-CG2 3.43Å; I721-V856 HydrophobicContact CG1-CG2 3.81Å
722Y64.7Low73.9Confident126 Ų12633.6 Ų33.649%0.49420%0.201SC..Hα-helixtrans-59.3-34.2-177.9-176.6-99.3000113K656 G718 L719 A720 V838K656-Y722 HydrophobicContact CD-CE1 4.49Å; G718-Y722 WeakPolarHBondContact O-CB 3.47Å; G718-Y722 PolarHBondContact O-N 2.9Å; L719-Y722 PolarHBondContact O-N 2.95Å; A720-Y722 VanDerWaalsContact C-N 3.35Å; A720-Y722 PolarHBondContact O-N 3.44Å; Y722-V838 HydrophobicContact CG-CG1 4.47Å
723N61.4Low74.8Confident65 Ų6533.5 Ų33.535%0.34820%0.201SC..THydrogen-bonded Turntrans-953.4-179.9-68.4-81.2000113.5L719 A720 I721 V725L719-N723 WeakPolarHBondContact O-CB 3.4Å; L719-N723 PolarHBondContact O-N 3.36Å; L719-N723 PolarHBondContact O-ND2 3.19Å; A720-N723 CarbonylContact O-C 3.56Å; A720-N723 PolarHBondContact O-N 3.37Å; I721-N723 PolarHBondContact O-N 3.26Å; N723-V725 HydrophobicContact CB-CG2 4.08Å; N723-V725 PolarHBondContact O-N 3.42Å
724G66.1Low75.6Confident56 Ų5633.5 Ų33.558%0.57720%0.201SC*.THydrogen-bonded Turntrans6527.8-177.200000113.8A720 I721A720-G724 PolarHBondContact O-N 3.49Å; I721-G724 PolarHBondContact O-N 3.39Å; I721-G724 VanDerWaalsContact O-N 3.09Å
725V67.1Low76.1Confident78 Ų7833.6 Ų33.647%0.47320%0.202SC..  trans-100.6127.5178.31790000108.6A720 N723A720-V725 CarbonylContact C-O 3.52Å; A720-V725 WeakPolarHBondContact CB-O 3.17Å; A720-V725 PolarHBondContact O-N 2.7Å; N723-V725 HydrophobicContact CB-CG2 4.08Å; N723-V725 PolarHBondContact O-N 3.42Å
726I71.7Confident76.9Confident36 Ų3632.6 Ų32.619%0.18520%0.196CC..  trans-81.8144.1172.759.7175.6000110.3V856 R927 P929I726-V856 CarbonylContact C-O 3.41Å; I726-V856 WeakPolarHBondContact CA-O 3.4Å; I726-R927 HydrophobicContact CD1-CB 4.09Å; I726-R927 VanDerWaalsContact CD1-O 3.23Å; I726-R927 WeakPolarHBondContact CD1-O 3.39Å; I726-P929 HydrophobicContact CG2-CB 4.4Å; I726-P929 HydrophobicContact CG2-CG 4.44Å
727V71.6Confident78Confident45 Ų4532.9 Ų32.927%0.27319%0.194SC..  trans-125.5126.9177.9-165.10000108.7A720 L729 V856A720-V727 HydrophobicContact CB-CG2 3.29Å; V727-L729 HydrophobicContact CB-CD1 4.22Å; V727-L729 HydrophobicContact CB-CG 4.37Å; V727-L729 HydrophobicContact CG1-CD1 3.84Å; V727-L729 HydrophobicContact CG1-CG 3.81Å; V727-L729 PolarHBondContact O-N 3.41Å; V727-V856 PolarHBondContact N-O 3.07Å
728A70.9Confident78.7Confident79 Ų7933.8 Ų33.865%0.65320%0.198SC*.  trans-73.578.417600000110.8
729L77.1Confident79.4Confident10 Ų1034 Ų345%0.05220%0.199CC..  trans-112.1103.3174.2-72167.1000109.4L663 I679 C717 V727 F731L663-L729 HydrophobicContact CD1-CD1 4.4Å; L663-L729 HydrophobicContact CD1-CD2 3.43Å; L663-L729 VanDerWaalsContact CD1-CD2 3.43Å; L663-L729 HydrophobicContact CD1-CG 4.44Å; I679-L729 HydrophobicContact CD1-CD2 4.35Å; C717-L729 WeakPolarHBondContact SG-CD1 3.33Å; V727-L729 HydrophobicContact CB-CD1 4.22Å; V727-L729 HydrophobicContact CB-CG 4.37Å; V727-L729 HydrophobicContact CG1-CD1 3.84Å; V727-L729 HydrophobicContact CG1-CG 3.81Å; V727-L729 PolarHBondContact O-N 3.41Å; L729-F731 HydrophobicContact CB-CD2 3.76Å; L729-F731 HydrophobicContact CB-CE2 3.94Å; L729-F731 HydrophobicContact CD1-CE2 4.24Å; L729-F731 HydrophobicContact CD2-CE2 4.2Å; L729-F731 HydrophobicContact CG-CE2 4.35Å; L729-F731 PolarHBondContact O-N 2.88Å
730P78.4Confident80.5Confident45 Ų4533.9 Ų33.929%0.29220%0.199SC..  trans-78.952.5-174.433.1-34.8000111.4R678 I679R678-P730 CarbonylContact C-O 3.54Å; R678-P730 WeakPolarHBondContact CA-O 3.44Å; R678-P730 WeakPolarHBondContact CB-O 3.32Å; R678-P730 WeakPolarHBondContact CD-O 3.21Å; I679-P730 HydrophobicContact CD1-CG 4.34Å; I679-P730 HydrophobicContact CG1-CG 4.01Å; I679-P730 HydrophobicContact CG2-CG 4.12Å; I679-P730 PolarHBondContact N-O 2.87Å
731F89Confident81.4Confident1 Ų142.6 Ų42.60%0.00424%0.235CC..  trans-72.6143.8167.8-70.3-67.7000110.1F670 I679 W680 L729 L735 Y736F670-F731 AromaticContact CD1-CE1 3.76Å; F670-F731 HydrophobicContact CD1-CE1 3.76Å; F670-F731 HydrophobicContact CD1-CZ 4.01Å; F670-F731 AromaticContact CE1-CE1 3.54Å; F670-F731 HydrophobicContact CE1-CE1 3.54Å; F670-F731 AromaticContact CE1-CZ 3.46Å; F670-F731 HydrophobicContact CE1-CZ 3.46Å; F670-F731 VanDerWaalsContact CE1-CZ 3.46Å; F670-F731 HydrophobicContact CE2-CZ 4.29Å; F670-F731 HydrophobicContact CZ-CE1 4.2Å; F670-F731 AromaticContact CZ-CZ 3.63Å; F670-F731 HydrophobicContact CZ-CZ 3.63Å; I679-F731 HydrophobicContact CD1-CD1 4.33Å; I679-F731 HydrophobicContact CD1-CE1 3.92Å; I679-F731 HydrophobicContact CD1-CE2 4.17Å; I679-F731 HydrophobicContact CD1-CZ 3.83Å; I679-F731 HydrophobicContact CG1-CD1 3.84Å; I679-F731 HydrophobicContact CG1-CE1 3.81Å; I679-F731 HydrophobicContact CG1-CG 4.28Å; I679-F731 HydrophobicContact CG1-CZ 4.24Å; I679-F731 VanDerWaalsContact O-CD1 3.31Å; I679-F731 WeakPolarHBondContact O-CD1 3.42Å; W680-F731 HydrophobicContact CE3-CD1 4.4Å; L729-F731 HydrophobicContact CB-CD2 3.76Å; L729-F731 HydrophobicContact CB-CE2 3.94Å; L729-F731 HydrophobicContact CD1-CE2 4.24Å; L729-F731 HydrophobicContact CD2-CE2 4.2Å; L729-F731 HydrophobicContact CG-CE2 4.35Å; L729-F731 PolarHBondContact O-N 2.88Å; F731-L735 HydrophobicContact CB-CB 4.04Å; F731-L735 HydrophobicContact CB-CD2 3.67Å; F731-L735 HydrophobicContact CB-CG 4.48Å; F731-L735 HydrophobicContact CD1-CD2 4.06Å; F731-L735 HydrophobicContact CD2-CD2 3.45Å; F731-L735 VanDerWaalsContact CD2-CD2 3.45Å; F731-L735 HydrophobicContact CE2-CD2 4.06Å; F731-L735 HydrophobicContact CG-CB 4.49Å; F731-L735 HydrophobicContact CG-CD2 3.46Å; F731-L735 VanDerWaalsContact CG-CD2 3.46Å; F731-L735 HydrophobicContact CG-CG 4.5Å; F731-Y736 HydrophobicContact CB-CE2 4.47Å
732P91Very high82.3Confident0 Ų044.1 Ų44.10%024%0.241CC..  trans-69.3164.7170.533.3-37000110.7I679 W680 A734 L735 E751 L752I679-P732 WeakPolarHBondContact O-CD 3.49Å; W680-P732 HydrophobicContact CE3-CG 3.54Å; W680-P732 HydrophobicContact CZ3-CG 3.51Å; P732-A734 HydrophobicContact CB-CB 4.41Å; P732-A734 HydrophobicContact CG-CB 4.06Å; P732-A734 PolarHBondContact O-N 3.13Å; P732-L735 PolarHBondContact O-N 3.16Å; P732-L735 VanDerWaalsContact O-N 3.08Å; P732-E751 HydrophobicContact CB-CG 4.4Å; P732-L752 HydrophobicContact CB-CB 4.41Å; P732-L752 HydrophobicContact CG-CB 4.27Å; P732-L752 HydrophobicContact CG-CD1 4.18Å
733L92.1Very high83.5Confident23 Ų2343.4 Ų43.412%0.1225%0.252CS..Hα-helixtrans-54.7-28.9177.7-169.465000112.6L735 Y736 R737 E751 P849 E850 M853L733-L735 PolarHBondContact O-N 2.85Å; L733-L735 VanDerWaalsContact O-N 3.11Å; L733-Y736 PolarHBondContact O-N 2.94Å; L733-R737 VanDerWaalsContact CD2-NH2 3.33Å; L733-R737 PolarHBondContact O-N 3.04Å; L733-R737 VanDerWaalsContact O-N 3.07Å; L733-E751 VanDerWaalsContact CB-OE2 3.25Å; L733-E751 WeakPolarHBondContact CB-OE2 3.46Å; L733-E751 PolarHBondContact N-OE2 3Å; L733-P849 HydrophobicContact CD1-CB 3.79Å; L733-P849 HydrophobicContact CG-CB 4.17Å; L733-E850 HydrophobicContact CD1-CG 4.02Å; L733-E850 HydrophobicContact CD2-CG 4.24Å; L733-E850 WeakPolarHBondContact CD2-OE1 3.37Å; L733-M853 HydrophobicContact CD1-CB 4.47Å; L733-M853 HydrophobicContact CD1-SD 4.23Å
734A94.1Very high85Confident0 Ų041.2 Ų41.20%024%0.241CC..Hα-helixtrans-46.7-39.3174.300000113.5W680 P732 Y736 K738 V744 D748 L820W680-A734 HydrophobicContact CH2-CB 3.78Å; W680-A734 HydrophobicContact CZ3-CB 4.11Å; P732-A734 HydrophobicContact CB-CB 4.41Å; P732-A734 HydrophobicContact CG-CB 4.06Å; P732-A734 PolarHBondContact O-N 3.13Å; A734-Y736 VanDerWaalsContact C-N 3.34Å; A734-Y736 PolarHBondContact O-N 2.99Å; A734-K738 VanDerWaalsContact O-CG 3.25Å; A734-K738 WeakPolarHBondContact O-CG 3.37Å; A734-K738 PolarHBondContact O-N 3.18Å; A734-V744 HydrophobicContact CB-CG1 4.41Å; A734-D748 HydrophobicContact CB-CB 3.91Å; A734-L820 HydrophobicContact CB-CD1 4.27Å
735L93.8Very high86.3Confident2 Ų241.8 Ų41.81%0.0123%0.234CC..Hα-helixtrans-60.9-46.6179179.170.4000111.1W680 F681 F731 P732 L733 K738 L739 F828 F831W680-L735 HydrophobicContact CH2-CB 4.34Å; W680-L735 HydrophobicContact CZ3-CB 3.93Å; F681-L735 HydrophobicContact CE2-CD1 3.78Å; F681-L735 HydrophobicContact CZ-CD1 3.98Å; F731-L735 HydrophobicContact CB-CB 4.04Å; F731-L735 HydrophobicContact CB-CD2 3.67Å; F731-L735 HydrophobicContact CB-CG 4.48Å; F731-L735 HydrophobicContact CD1-CD2 4.06Å; F731-L735 HydrophobicContact CD2-CD2 3.45Å; F731-L735 VanDerWaalsContact CD2-CD2 3.45Å; F731-L735 HydrophobicContact CE2-CD2 4.06Å; F731-L735 HydrophobicContact CG-CB 4.49Å; F731-L735 HydrophobicContact CG-CD2 3.46Å; F731-L735 VanDerWaalsContact CG-CD2 3.46Å; F731-L735 HydrophobicContact CG-CG 4.5Å; P732-L735 PolarHBondContact O-N 3.16Å; P732-L735 VanDerWaalsContact O-N 3.08Å; L733-L735 PolarHBondContact O-N 2.85Å; L733-L735 VanDerWaalsContact O-N 3.11Å; L735-K738 PolarHBondContact O-N 2.83Å; L735-L739 HydrophobicContact CG-CD1 4.44Å; L735-L739 WeakPolarHBondContact O-CG 3.22Å; L735-L739 PolarHBondContact O-N 2.94Å; L735-F828 HydrophobicContact CD1-CD2 4.1Å; L735-F828 HydrophobicContact CD1-CE2 3.94Å; L735-F831 HydrophobicContact CD1-CD1 4.19Å; L735-F831 HydrophobicContact CD1-CE1 3.88Å; L735-F831 HydrophobicContact CD1-CZ 4.48Å; L735-F831 HydrophobicContact CD2-CE1 4.07Å; L735-F831 HydrophobicContact CD2-CZ 4.01Å; L735-F831 HydrophobicContact CG-CE1 4.32Å
736Y92.4Very high87.4Confident3 Ų339.5 Ų39.51%0.01222%0.219CC..Hα-helixtrans-72.8-37-174.6-56.4-77.6000111.2F731 L733 A734 K738 L739 L740 P849 L852 M853 V856 V857F731-Y736 HydrophobicContact CB-CE2 4.47Å; L733-Y736 PolarHBondContact O-N 2.94Å; A734-Y736 VanDerWaalsContact C-N 3.34Å; A734-Y736 PolarHBondContact O-N 2.99Å; Y736-K738 VanDerWaalsContact C-N 3.34Å; Y736-K738 PolarHBondContact O-N 3.16Å; Y736-L739 HydrophobicContact CD1-CD1 4.39Å; Y736-L739 PolarHBondContact O-N 3.34Å; Y736-L740 WeakPolarHBondContact O-CG 3.26Å; Y736-L740 PolarHBondContact O-N 2.81Å; Y736-P849 WeakPolarHBondContact CB-O 3.33Å; Y736-L852 HydrophobicContact CD1-CB 4.3Å; Y736-L852 HydrophobicContact CD1-CD2 4.13Å; Y736-L852 HydrophobicContact CD1-CG 3.91Å; Y736-M853 HydrophobicContact CD1-CB 4.31Å; Y736-M853 HydrophobicContact CD2-CB 3.58Å; Y736-M853 HydrophobicContact CD2-CG 3.9Å; Y736-M853 HydrophobicContact CD2-SD 4.25Å; Y736-M853 HydrophobicContact CE1-CB 4.3Å; Y736-M853 HydrophobicContact CE2-CB 3.57Å; Y736-M853 HydrophobicContact CE2-CG 3.43Å; Y736-M853 VanDerWaalsContact CE2-CG 3.43Å; Y736-M853 HydrophobicContact CE2-SD 3.99Å; Y736-M853 HydrophobicContact CG-CB 3.95Å; Y736-V856 HydrophobicContact CE1-CB 4.07Å; Y736-V856 HydrophobicContact CE1-CG2 3.82Å; Y736-V857 WeakPolarHBondContact OH-CG2 3.43Å
737R93.4Very high88.4Confident50 Ų5042.3 Ų42.319%0.18923%0.232CC..Hα-helixtrans-56.1-48.3168-71.5-166.5-169.5-70.2-9.1111.5L733 L739 L740 K741 E742 V744 D748 P849 E850L733-R737 VanDerWaalsContact CD2-NH2 3.33Å; L733-R737 PolarHBondContact O-N 3.04Å; L733-R737 VanDerWaalsContact O-N 3.07Å; R737-L739 PolarHBondContact O-N 2.98Å; R737-L740 CarbonylContact O-C 3.59Å; R737-L740 PolarHBondContact O-N 2.84Å; R737-L740 VanDerWaalsContact O-N 3.13Å; R737-K741 PolarHBondContact O-N 3.49Å; R737-E742 HydrophobicContact CB-CB 4.11Å; R737-E742 HydrophobicContact CG-CB 4.45Å; R737-E742 IonicContact NH1-OE2 3.88Å; R737-E742 PolarHBondContact NH1-OE2 2.8Å; R737-E742 PolarHBondContact O-N 2.98Å; R737-V744 HydrophobicContact CB-CG1 4.41Å; R737-D748 WeakPolarHBondContact CD-OD1 3.4Å; R737-D748 IonicContact NE-OD1 3.83Å; R737-D748 PolarHBondContact NE-OD1 2.87Å; R737-D748 IonicContact NE-OD2 2.75Å; R737-P849 HydrophobicContact CG-CB 3.79Å; R737-P849 HydrophobicContact CG-CG 3.7Å; R737-E850 IonicContact NH2-OE1 2.8Å; R737-E850 PolarHBondContact NH2-OE1 2.86Å
738K93.6Very high89.5Confident23 Ų2340.4 Ų40.410%0.122%0.22CC..Hα-helixtrans-62.5-40.8178.7-68.9171.165.279.20112.6W680 A734 L735 Y736 L740 K741 V744 L820 N821 F828W680-K738 HydrophobicContact CH2-CD 4.05Å; W680-K738 HydrophobicContact CZ2-CD 4.14Å; A734-K738 VanDerWaalsContact O-CG 3.25Å; A734-K738 WeakPolarHBondContact O-CG 3.37Å; A734-K738 PolarHBondContact O-N 3.18Å; L735-K738 PolarHBondContact O-N 2.83Å; Y736-K738 VanDerWaalsContact C-N 3.34Å; Y736-K738 PolarHBondContact O-N 3.16Å; K738-L740 VanDerWaalsContact C-N 3.25Å; K738-L740 PolarHBondContact O-N 2.92Å; K738-K741 PolarHBondContact O-N 2.93Å; K738-K741 VanDerWaalsContact O-N 3.07Å; K738-V744 HydrophobicContact CD-CG1 4.48Å; K738-V744 HydrophobicContact CG-CG1 3.87Å; K738-L820 WeakPolarHBondContact CE-O 3.45Å; K738-L820 PolarHBondContact NZ-O 2.61Å; K738-N821 PolarHBondContact NZ-OD1 3.01Å; K738-F828 HydrophobicContact CB-CD2 4.41Å; K738-F828 HydrophobicContact CB-CE1 4.04Å; K738-F828 HydrophobicContact CB-CE2 3.56Å; K738-F828 HydrophobicContact CB-CZ 3.35Å; K738-F828 HydrophobicContact CD-CD2 4.3Å; K738-F828 HydrophobicContact CD-CE2 4.22Å; K738-F828 VanDerWaalsContact CE-CD2 3.43Å; K738-F828 VanDerWaalsContact CE-CG 3.45Å
739L91.2Very high90.6Very high5 Ų536.7 Ų36.73%0.02619%0.189CC..Hα-helixtrans-61.1-36175.3-73.1172.1000111.9L735 Y736 R737 K741 F828 F831 F835 F836 L852L735-L739 HydrophobicContact CG-CD1 4.44Å; L735-L739 WeakPolarHBondContact O-CG 3.22Å; L735-L739 PolarHBondContact O-N 2.94Å; Y736-L739 HydrophobicContact CD1-CD1 4.39Å; Y736-L739 PolarHBondContact O-N 3.34Å; R737-L739 PolarHBondContact O-N 2.98Å; L739-K741 VanDerWaalsContact C-N 3.28Å; L739-F828 HydrophobicContact CD2-CE2 4.31Å; L739-F828 HydrophobicContact CD2-CZ 4.23Å; L739-F828 HydrophobicContact CG-CE2 4.41Å; L739-F828 HydrophobicContact CG-CZ 4.46Å; L739-F831 HydrophobicContact CD1-CE1 4.26Å; L739-F831 HydrophobicContact CD2-CD1 4.4Å; L739-F831 HydrophobicContact CD2-CE1 4.23Å; L739-F835 HydrophobicContact CD1-CD1 4.17Å; L739-F835 HydrophobicContact CD1-CD2 4.33Å; L739-F835 HydrophobicContact CD1-CE1 4.02Å; L739-F835 HydrophobicContact CD1-CE2 4.18Å; L739-F835 HydrophobicContact CD1-CG 4.32Å; L739-F835 HydrophobicContact CD1-CZ 4.02Å; L739-F835 HydrophobicContact CD2-CB 4.34Å; L739-F835 HydrophobicContact CD2-CD1 4.03Å; L739-F835 HydrophobicContact CD2-CG 4.2Å; L739-F836 HydrophobicContact CB-CZ 4.39Å; L739-F836 HydrophobicContact CD2-CE2 3.89Å; L739-F836 HydrophobicContact CD2-CZ 4.42Å; L739-F836 WeakPolarHBondContact O-CZ 3.31Å; L739-L852 HydrophobicContact CB-CD2 4.33Å; L739-L852 HydrophobicContact CD1-CD2 4.37Å
740L90.1Very high91.3Very high28 Ų2838.6 Ų38.615%0.14720%0.197CC..Hα-helixtrans-81.8-3.7176.5-66.1170.7000113.8Y736 R737 K738 E742 V844 F847 P849 L852Y736-L740 WeakPolarHBondContact O-CG 3.26Å; Y736-L740 PolarHBondContact O-N 2.81Å; R737-L740 CarbonylContact O-C 3.59Å; R737-L740 PolarHBondContact O-N 2.84Å; R737-L740 VanDerWaalsContact O-N 3.13Å; K738-L740 VanDerWaalsContact C-N 3.25Å; K738-L740 PolarHBondContact O-N 2.92Å; L740-E742 HydrophobicContact CB-CG 4.26Å; L740-E742 PolarHBondContact O-N 2.84Å; L740-V844 HydrophobicContact CD2-CG1 3.85Å; L740-V844 WeakPolarHBondContact CD2-O 3.35Å; L740-F847 WeakPolarHBondContact CD1-O 3.41Å; L740-P849 HydrophobicContact CD1-CB 4.22Å; L740-P849 HydrophobicContact CD1-CG 3.83Å; L740-L852 HydrophobicContact CD1-CD2 4.32Å; L740-L852 HydrophobicContact CD2-CD2 4.23Å; L740-L852 HydrophobicContact CG-CD2 4.06Å
741K89.3Confident92Very high191 Ų19139.1 Ų39.183%0.8320%0.196SC*.THydrogen-bonded Turntrans61.630.9-174.5-50.3-175.3177.3-167.90113.4R737 K738 L739R737-K741 PolarHBondContact O-N 3.49Å; K738-K741 PolarHBondContact O-N 2.93Å; K738-K741 VanDerWaalsContact O-N 3.07Å; L739-K741 VanDerWaalsContact C-N 3.28Å
742E90.4Very high92.1Very high60 Ų6039.1 Ų39.128%0.2820%0.196SC..PPolyproline II helixtrans-84.3149.2169.7-69.6-174.2-171.300111R737 L740 P849R737-E742 HydrophobicContact CB-CB 4.11Å; R737-E742 HydrophobicContact CG-CB 4.45Å; R737-E742 IonicContact NH1-OE2 3.88Å; R737-E742 PolarHBondContact NH1-OE2 2.8Å; R737-E742 PolarHBondContact O-N 2.98Å; L740-E742 HydrophobicContact CB-CG 4.26Å; L740-E742 PolarHBondContact O-N 2.84Å; E742-P849 WeakPolarHBondContact OE2-CG 3.13Å
743P89.8Confident92.2Very high111 Ų11139.5 Ų39.572%0.72120%0.199SC*.PPolyproline II helixtrans-65.7140.6174.828.7-33.9000110.8
744V92.9Very high92.2Very high20 Ų2040.1 Ų40.112%0.12120%0.204CC..PPolyproline II helixtrans-89.6148171.2-69.60000110.1A734 R737 K738 V816 L820A734-V744 HydrophobicContact CB-CG1 4.41Å; R737-V744 HydrophobicContact CB-CG1 4.41Å; K738-V744 HydrophobicContact CD-CG1 4.48Å; K738-V744 HydrophobicContact CG-CG1 3.87Å; V744-V816 HydrophobicContact CG2-CG1 4.18Å; V744-L820 HydrophobicContact CB-CB 4.49Å; V744-L820 HydrophobicContact CB-CD1 3.97Å; V744-L820 HydrophobicContact CG1-CD1 4.41Å; V744-L820 HydrophobicContact CG2-CB 3.98Å; V744-L820 HydrophobicContact CG2-CD1 4.2Å
745T91.7Very high92.1Very high68 Ų6843 Ų4342%0.41722%0.222SC..  trans-125.5174.3-171.666.30000111.7E747 D748 L749T745-E747 PolarHBondContact O-N 3.38Å; T745-E747 PolarHBondContact OG1-N 2.86Å; T745-D748 PolarHBondContact N-OD2 2.81Å; T745-D748 WeakPolarHBondContact O-CB 2.96Å; T745-D748 PolarHBondContact O-N 2.87Å; T745-D748 PolarHBondContact OG1-OD2 2.86Å; T745-L749 PolarHBondContact O-N 2.82Å
746V92.1Very high92Very high29 Ų2945.4 Ų45.418%0.17623%0.233CC..Hα-helixtrans-61.4-30.1174.270.90000112.3L749 K750 L760 V812 V816V746-L749 PolarHBondContact O-N 3.29Å; V746-K750 WeakPolarHBondContact O-CB 3.49Å; V746-K750 PolarHBondContact O-N 3.29Å; V746-L760 HydrophobicContact CG2-CB 3.95Å; V746-L760 HydrophobicContact CG2-CD1 4.36Å; V746-V812 HydrophobicContact CB-CG1 4.22Å; V746-V812 HydrophobicContact CG2-CG1 4.18Å; V746-V816 HydrophobicContact CB-CG2 4.34Å
747E92.5Very high92Very high96 Ų9645.3 Ų45.345%0.44923%0.232SC..Hα-helixtrans-66.8-37.2176.4-69.5-58.3130.700111.9T745 L749 K750 E751T745-E747 PolarHBondContact O-N 3.38Å; T745-E747 PolarHBondContact OG1-N 2.86Å; E747-L749 VanDerWaalsContact C-N 3.33Å; E747-L749 PolarHBondContact O-N 3.25Å; E747-K750 WeakPolarHBondContact O-CB 3.34Å; E747-K750 PolarHBondContact O-N 3.33Å; E747-K750 IonicContact OE1-NZ 2.99Å; E747-K750 PolarHBondContact OE1-NZ 2.86Å; E747-K750 IonicContact OE2-NZ 2.75Å; E747-E751 PolarHBondContact O-N 3.34Å
748D94.1Very high92Very high5 Ų549.1 Ų49.13%0.02725%0.247CC..Hα-helixtrans-66.2-37.5174.6-58.5-70.2000111.3A734 R737 T745 L752 L820A734-D748 HydrophobicContact CB-CB 3.91Å; R737-D748 WeakPolarHBondContact CD-OD1 3.4Å; R737-D748 IonicContact NE-OD1 3.83Å; R737-D748 PolarHBondContact NE-OD1 2.87Å; R737-D748 IonicContact NE-OD2 2.75Å; T745-D748 PolarHBondContact N-OD2 2.81Å; T745-D748 WeakPolarHBondContact O-CB 2.96Å; T745-D748 PolarHBondContact O-N 2.87Å; T745-D748 PolarHBondContact OG1-OD2 2.86Å; D748-L752 PolarHBondContact O-N 2.85Å; D748-L820 HydrophobicContact CB-CD1 4.1Å
749L93.4Very high91.9Very high1 Ų150.9 Ų50.91%0.00526%0.262CS..Hα-helixtrans-69.3-36173.4-178.660.2000111.7T745 V746 E747 L752 S753 L760 Y815 V816 K819 L820T745-L749 PolarHBondContact O-N 2.82Å; V746-L749 PolarHBondContact O-N 3.29Å; E747-L749 VanDerWaalsContact C-N 3.33Å; E747-L749 PolarHBondContact O-N 3.25Å; L749-L752 PolarHBondContact O-N 3.1Å; L749-S753 CarbonylContact O-C 3.52Å; L749-S753 PolarHBondContact O-N 3.27Å; L749-L760 HydrophobicContact CD2-CD1 3.66Å; L749-Y815 HydrophobicContact CD2-CD1 3.99Å; L749-Y815 HydrophobicContact CD2-CE1 4.07Å; L749-V816 HydrophobicContact CB-CG2 4.4Å; L749-V816 HydrophobicContact CD2-CG2 3.96Å; L749-K819 HydrophobicContact CD1-CB 4.3Å; L749-L820 HydrophobicContact CB-CD1 4.2Å; L749-L820 HydrophobicContact CD1-CD2 4.42Å
750K92.7Very high92.1Very high50 Ų5051.2 Ų51.222%0.21726%0.264CS..Hα-helixtrans-67.9-33.2176.9-173.7174.1167.6-1750112.3V746 E747 S753 P754 E761V746-K750 WeakPolarHBondContact O-CB 3.49Å; V746-K750 PolarHBondContact O-N 3.29Å; E747-K750 WeakPolarHBondContact O-CB 3.34Å; E747-K750 PolarHBondContact O-N 3.33Å; E747-K750 IonicContact OE1-NZ 2.99Å; E747-K750 PolarHBondContact OE1-NZ 2.86Å; E747-K750 IonicContact OE2-NZ 2.75Å; K750-S753 CarbonylContact O-C 3.54Å; K750-P754 WeakPolarHBondContact O-CA 3.5Å; K750-P754 WeakPolarHBondContact O-CD 3.16Å; K750-P754 WeakPolarHBondContact O-CG 3.4Å; K750-E761 WeakPolarHBondContact CE-OE2 3.26Å; K750-E761 IonicContact NZ-OE1 3.36Å; K750-E761 PolarHBondContact NZ-OE1 2.98Å; K750-E761 IonicContact NZ-OE2 2.76Å; K750-E761 PolarHBondContact NZ-OE2 2.75Å
751E92.3Very high92.2Very high56 Ų5652.6 Ų52.626%0.26227%0.269SS..Hα-helixtrans-64.5-40.9170.1-165-164.1168.500111.4S676 R678 P732 L733 E747S676-E751 WeakPolarHBondContact CB-O 3.32Å; R678-E751 IonicContact CZ-OE1 3.88Å; R678-E751 IonicContact NE-OE1 3.51Å; R678-E751 PolarHBondContact NE-OE1 3.46Å; R678-E751 IonicContact NH2-OE1 2.7Å; R678-E751 PolarHBondContact NH2-OE1 3.08Å; P732-E751 HydrophobicContact CB-CG 4.4Å; L733-E751 VanDerWaalsContact CB-OE2 3.25Å; L733-E751 WeakPolarHBondContact CB-OE2 3.46Å; L733-E751 PolarHBondContact N-OE2 3Å; E747-E751 PolarHBondContact O-N 3.34Å
752L92.3Very high92.3Very high1 Ų149.4 Ų49.41%0.00526%0.258CS..Hα-helixtrans-74.3-47.2179.4178.260.9000112.7Y673 S676 R678 W680 P732 D748 L749 L820Y673-L752 WeakPolarHBondContact CB-O 3.07Å; Y673-L752 HydrophobicContact CD1-CD1 4.32Å; Y673-L752 HydrophobicContact CD1-CG 4.18Å; Y673-L752 HydrophobicContact CD2-CD1 3.59Å; Y673-L752 HydrophobicContact CD2-CG 4.21Å; Y673-L752 HydrophobicContact CE1-CD2 4.47Å; Y673-L752 HydrophobicContact CE1-CG 4.12Å; Y673-L752 HydrophobicContact CE2-CD1 3.87Å; Y673-L752 HydrophobicContact CE2-CD2 4.27Å; Y673-L752 HydrophobicContact CE2-CG 4.17Å; Y673-L752 HydrophobicContact CG-CD1 3.84Å; Y673-L752 HydrophobicContact CG-CG 4.22Å; S676-L752 VanDerWaalsContact CB-O 3.3Å; S676-L752 WeakPolarHBondContact CB-O 3.38Å; S676-L752 PolarHBondContact OG-O 2.69Å; R678-L752 HydrophobicContact CB-CD1 3.96Å; W680-L752 HydrophobicContact CB-CD1 3.79Å; W680-L752 HydrophobicContact CB-CD2 3.92Å; W680-L752 HydrophobicContact CD2-CD2 3.99Å; W680-L752 HydrophobicContact CG-CD1 4.36Å; W680-L752 HydrophobicContact CG-CD2 3.67Å; P732-L752 HydrophobicContact CB-CB 4.41Å; P732-L752 HydrophobicContact CG-CB 4.27Å; P732-L752 HydrophobicContact CG-CD1 4.18Å; D748-L752 PolarHBondContact O-N 2.85Å; L749-L752 PolarHBondContact O-N 3.1Å; L752-L820 HydrophobicContact CD2-CD2 3.77Å
753S92.5Very high92.3Very high8 Ų846.8 Ų46.86%0.05625%0.245CC..  trans-135.690.7-179.2-176.30000109.7L749 K750 T755 E756 G757L749-S753 CarbonylContact O-C 3.52Å; L749-S753 PolarHBondContact O-N 3.27Å; K750-S753 CarbonylContact O-C 3.54Å; S753-T755 PolarHBondContact O-N 2.82Å; S753-E756 PolarHBondContact O-N 3.25Å; S753-E756 WeakPolarHBondContact OG-CB 3.17Å; S753-E756 WeakPolarHBondContact OG-CG 3.32Å; S753-G757 PolarHBondContact O-N 3.36Å
754P92.1Very high92.5Very high35 Ų3542.9 Ų42.923%0.22722%0.218CC..Hα-helixtrans-57.8-33.5-177.6-27.934.9000114E675 K750 R758E675-P754 HydrophobicContact CB-CG 4.42Å; K750-P754 WeakPolarHBondContact O-CA 3.5Å; K750-P754 WeakPolarHBondContact O-CD 3.16Å; K750-P754 WeakPolarHBondContact O-CG 3.4Å; P754-R758 VanDerWaalsContact O-CB 3.29Å; P754-R758 WeakPolarHBondContact O-CB 3.41Å; P754-R758 VanDerWaalsContact O-CG 3.23Å; P754-R758 WeakPolarHBondContact O-CG 3.5Å; P754-R758 PolarHBondContact O-N 3.22Å; P754-R758 VanDerWaalsContact O-N 3.13Å; P754-R758 PolarHBondContact O-NE 2.84Å
755T92Very high92.5Very high62 Ų6247.2 Ų47.238%0.3824%0.241SC..Hα-helixtrans-69.8-50.3176.4-60.40000111.7E675 S753 G757 R758 S759E675-T755 WeakPolarHBondContact OE1-CB 3.05Å; E675-T755 PolarHBondContact OE1-OG1 3.31Å; E675-T755 WeakPolarHBondContact OE2-CB 3.21Å; E675-T755 PolarHBondContact OE2-N 2.93Å; E675-T755 VanDerWaalsContact OE2-N 3.17Å; E675-T755 PolarHBondContact OE2-OG1 3.42Å; S753-T755 PolarHBondContact O-N 2.82Å; T755-G757 PolarHBondContact O-N 3.04Å; T755-R758 PolarHBondContact O-N 3.15Å; T755-S759 PolarHBondContact O-N 2.75Å; T755-S759 VanDerWaalsContact O-N 3.07Å; T755-S759 PolarHBondContact O-OG 3.29Å
756E91Very high92.5Very high52 Ų5246.7 Ų46.724%0.24323%0.231CC..Hα-helixtrans-61-46.2178.1-69.8-175175.800111.4S753 S759 L760 K819S753-E756 PolarHBondContact O-N 3.25Å; S753-E756 WeakPolarHBondContact OG-CB 3.17Å; S753-E756 WeakPolarHBondContact OG-CG 3.32Å; E756-S759 PolarHBondContact O-N 3.45Å; E756-L760 WeakPolarHBondContact O-CG 3.41Å; E756-L760 PolarHBondContact O-N 3.49Å; E756-L760 VanDerWaalsContact O-N 3.13Å; E756-K819 IonicContact OE1-NZ 2.74Å; E756-K819 PolarHBondContact OE1-NZ 2.96Å; E756-K819 IonicContact OE2-NZ 2.82Å; E756-K819 PolarHBondContact OE2-NZ 2.9Å
757G93Very high92.3Very high0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-60.9-46.5179.400000113.2S753 T755 S759 L760 E761S753-G757 PolarHBondContact O-N 3.36Å; T755-G757 PolarHBondContact O-N 3.04Å; G757-S759 VanDerWaalsContact C-N 3.33Å; G757-S759 PolarHBondContact O-N 3.03Å; G757-L760 PolarHBondContact O-N 3.24Å; G757-E761 WeakPolarHBondContact O-CB 3.43Å; G757-E761 PolarHBondContact O-N 3.14Å
758R92.7Very high92.1Very high131 Ų13150 Ų5049%0.49425%0.251SS..Hα-helixtrans-65.1-34.7177.6-76.1-177.5-67.8-177.71.2112.7P754 T755 E761 Q762P754-R758 VanDerWaalsContact O-CB 3.29Å; P754-R758 WeakPolarHBondContact O-CB 3.41Å; P754-R758 VanDerWaalsContact O-CG 3.23Å; P754-R758 WeakPolarHBondContact O-CG 3.5Å; P754-R758 PolarHBondContact O-N 3.22Å; P754-R758 VanDerWaalsContact O-N 3.13Å; P754-R758 PolarHBondContact O-NE 2.84Å; T755-R758 PolarHBondContact O-N 3.15Å; R758-E761 PolarHBondContact O-N 3.25Å; R758-Q762 WeakPolarHBondContact O-CB 3.47Å; R758-Q762 VanDerWaalsContact O-CG 3.24Å; R758-Q762 WeakPolarHBondContact O-CG 3.49Å; R758-Q762 PolarHBondContact O-N 3.08Å
759S92.4Very high91.7Very high60 Ų6057 Ų5742%0.4229%0.289SS..Hα-helixtrans-66.3-37.9175.9-67.10000112.3T755 E756 G757 L763T755-S759 PolarHBondContact O-N 2.75Å; T755-S759 VanDerWaalsContact O-N 3.07Å; T755-S759 PolarHBondContact O-OG 3.29Å; E756-S759 PolarHBondContact O-N 3.45Å; G757-S759 VanDerWaalsContact C-N 3.33Å; G757-S759 PolarHBondContact O-N 3.03Å; S759-L763 WeakPolarHBondContact O-CB 3.46Å; S759-L763 PolarHBondContact O-N 3.12Å; S759-L763 VanDerWaalsContact O-N 3.12Å
760L94Very high91.5Very high11 Ų1160.5 Ų60.56%0.05831%0.308CS..Hα-helixtrans-70.7-37.9174.8-64.1173.2000111.9V746 L749 E756 G757 L763 L764 F811 V812 Y815 V816V746-L760 HydrophobicContact CG2-CB 3.95Å; V746-L760 HydrophobicContact CG2-CD1 4.36Å; L749-L760 HydrophobicContact CD2-CD1 3.66Å; E756-L760 WeakPolarHBondContact O-CG 3.41Å; E756-L760 PolarHBondContact O-N 3.49Å; E756-L760 VanDerWaalsContact O-N 3.13Å; G757-L760 PolarHBondContact O-N 3.24Å; L760-L763 WeakPolarHBondContact O-CB 3.43Å; L760-L763 PolarHBondContact O-N 3.14Å; L760-L764 WeakPolarHBondContact O-CG 3.36Å; L760-L764 PolarHBondContact O-N 3.25Å; L760-L764 VanDerWaalsContact O-N 3.07Å; L760-F811 HydrophobicContact CD2-CE1 4.04Å; L760-V812 HydrophobicContact CB-CG1 4.25Å; L760-V812 HydrophobicContact CB-CG2 4.16Å; L760-V812 HydrophobicContact CD1-CG1 4.47Å; L760-V812 HydrophobicContact CD2-CG2 4.21Å; L760-Y815 HydrophobicContact CD1-CD1 3.63Å; L760-Y815 HydrophobicContact CD1-CE1 4.07Å; L760-Y815 HydrophobicContact CD1-CG 4.15Å; L760-Y815 HydrophobicContact CD2-CD1 4.43Å; L760-Y815 HydrophobicContact CD2-CD2 4.4Å; L760-Y815 HydrophobicContact CD2-CG 4.23Å; L760-V816 HydrophobicContact CD1-CG2 4.44Å
761E92.6Very high91.4Very high57 Ų5758.1 Ų58.127%0.26630%0.297SS..Hα-helixtrans-62.8-45.9174-169.5177.9-152.300111.2K750 G757 R758 L763 L764 D765K750-E761 WeakPolarHBondContact CE-OE2 3.26Å; K750-E761 IonicContact NZ-OE1 3.36Å; K750-E761 PolarHBondContact NZ-OE1 2.98Å; K750-E761 IonicContact NZ-OE2 2.76Å; K750-E761 PolarHBondContact NZ-OE2 2.75Å; G757-E761 WeakPolarHBondContact O-CB 3.43Å; G757-E761 PolarHBondContact O-N 3.14Å; R758-E761 PolarHBondContact O-N 3.25Å; E761-L763 PolarHBondContact O-N 3.16Å; E761-L764 PolarHBondContact O-N 3.05Å; E761-D765 WeakPolarHBondContact O-CB 3.26Å; E761-D765 PolarHBondContact O-N 3.46Å
762Q90.9Very high91.1Very high125 Ų12559 Ų5958%0.58430%0.301SS*.Hα-helixtrans-58.2-34.9173.2-76.9174.7-800112.9R758 Y766R758-Q762 WeakPolarHBondContact O-CB 3.47Å; R758-Q762 VanDerWaalsContact O-CG 3.24Å; R758-Q762 WeakPolarHBondContact O-CG 3.49Å; R758-Q762 PolarHBondContact O-N 3.08Å; Q762-Y766 WeakPolarHBondContact O-CB 3.36Å; Q762-Y766 PolarHBondContact O-N 3.42Å; Q762-Y766 VanDerWaalsContact O-N 3.14Å
763L92.2Very high90.9Very high4 Ų465.5 Ų65.52%0.02133%0.334CS..Hα-helixtrans-68.1-36.1175.2179.3150.7000111.6S759 L760 E761 F771 F775 L777 R808 F811 V812S759-L763 WeakPolarHBondContact O-CB 3.46Å; S759-L763 PolarHBondContact O-N 3.12Å; S759-L763 VanDerWaalsContact O-N 3.12Å; L760-L763 WeakPolarHBondContact O-CB 3.43Å; L760-L763 PolarHBondContact O-N 3.14Å; E761-L763 PolarHBondContact O-N 3.16Å; L763-F771 HydrophobicContact CD1-CZ 4.48Å; L763-F771 HydrophobicContact CD2-CZ 4.21Å; L763-F771 HydrophobicContact CG-CE2 4.16Å; L763-F771 HydrophobicContact CG-CZ 3.93Å; L763-F771 WeakPolarHBondContact O-CE2 3.39Å; L763-F775 HydrophobicContact CB-CD1 4.33Å; L763-F775 HydrophobicContact CB-CE1 3.88Å; L763-F775 HydrophobicContact CB-CZ 4.15Å; L763-F775 HydrophobicContact CD1-CD1 4Å; L763-F775 HydrophobicContact CD1-CE1 4.4Å; L763-F775 HydrophobicContact CD1-CG 4.29Å; L763-F775 HydrophobicContact CG-CD1 4.3Å; L763-F775 HydrophobicContact CG-CE1 4.28Å; L763-L777 HydrophobicContact CD1-CD1 3.43Å; L763-L777 VanDerWaalsContact CD1-CD1 3.43Å; L763-R808 HydrophobicContact CD2-CB 3.67Å; L763-F811 HydrophobicContact CD1-CD1 4.26Å; L763-F811 HydrophobicContact CD1-CE1 4.26Å; L763-F811 HydrophobicContact CD2-CD1 4.46Å; L763-V812 HydrophobicContact CD2-CG2 3.86Å
764L92.8Very high90.6Very high30 Ų3068.6 Ų68.616%0.15735%0.353CS..Hα-helixtrans-73-40.4174.3-64.6177.7000112.6L760 E761 Y766 R808 Q809 V812L760-L764 WeakPolarHBondContact O-CG 3.36Å; L760-L764 PolarHBondContact O-N 3.25Å; L760-L764 VanDerWaalsContact O-N 3.07Å; E761-L764 PolarHBondContact O-N 3.05Å; L764-Y766 VanDerWaalsContact C-N 3.28Å; L764-Y766 PolarHBondContact O-N 3.39Å; L764-R808 HydrophobicContact CD2-CG 4.05Å; L764-R808 PolarHBondContact O-NH2 3.2Å; L764-R808 VanDerWaalsContact O-NH2 3.1Å; L764-Q809 HydrophobicContact CD2-CB 4.44Å; L764-V812 HydrophobicContact CD1-CB 4.45Å; L764-V812 HydrophobicContact CD1-CG1 4.21Å; L764-V812 HydrophobicContact CD1-CG2 4.19Å; L764-V812 HydrophobicContact CD2-CB 4.36Å; L764-V812 HydrophobicContact CD2-CG2 3.75Å; L764-V812 HydrophobicContact CG-CG2 3.88Å
765D92.4Very high90.5Very high111 Ų11169.3 Ų69.359%0.59435%0.353SS*.Hα-helixtrans-78.6-8.9-175.6-69.2-16.3000113.5E761 E767E761-D765 WeakPolarHBondContact O-CB 3.26Å; E761-D765 PolarHBondContact O-N 3.46Å; D765-E767 PolarHBondContact O-N 3.02Å; D765-E767 VanDerWaalsContact O-N 3.14Å
766Y92.6Very high90.4Very high56 Ų5670.8 Ų70.822%0.2237%0.366CS..  trans-67.5114.7-177.7-169.9-92.3000112.3Q762 L764 D770 F771 V774 F775 R808Q762-Y766 WeakPolarHBondContact O-CB 3.36Å; Q762-Y766 PolarHBondContact O-N 3.42Å; Q762-Y766 VanDerWaalsContact O-N 3.14Å; L764-Y766 VanDerWaalsContact C-N 3.28Å; L764-Y766 PolarHBondContact O-N 3.39Å; Y766-D770 PolarHBondContact OH-OD1 3Å; Y766-D770 PolarHBondContact OH-OD2 2.56Å; Y766-F771 HydrophobicContact CD1-CB 4.14Å; Y766-F771 AromaticContact CD1-CD2 3.74Å; Y766-F771 HydrophobicContact CD1-CD2 3.74Å; Y766-F771 HydrophobicContact CD1-CG 4.43Å; Y766-F771 HydrophobicContact CE1-CB 4.21Å; Y766-F771 HydrophobicContact CG-CD2 4.32Å; Y766-V774 HydrophobicContact CE2-CG1 4.13Å; Y766-V774 WeakPolarHBondContact OH-CG2 3.34Å; Y766-F775 AromaticContact CD1-CE2 3.96Å; Y766-F775 HydrophobicContact CD1-CE2 3.96Å; Y766-F775 AromaticContact CD2-CE2 3.87Å; Y766-F775 HydrophobicContact CD2-CE2 3.87Å; Y766-F775 HydrophobicContact CD2-CZ 4.07Å; Y766-F775 AromaticContact CG-CE2 3.54Å; Y766-F775 HydrophobicContact CG-CE2 3.54Å; Y766-F775 HydrophobicContact CG-CZ 4.04Å; Y766-R808 PolarHBondContact O-NH1 2.82Å
767E88.9Confident90.5Very high171 Ų17171.6 Ų71.680%0.79937%0.371SS*.  trans-94.1-12.7-178.5-63.5-165.715800114.5D765 K805D765-E767 PolarHBondContact O-N 3.02Å; D765-E767 VanDerWaalsContact O-N 3.14Å; E767-K805 PolarHBondContact O-NZ 2.86Å
768G86.7Confident90.5Very high23 Ų2372.9 Ų72.924%0.23738%0.382CS..  trans-58.7157-178.400000113.8D770 K805G768-D770 VanDerWaalsContact C-N 3.33Å; G768-K805 PolarHBondContact O-NZ 2.77Å
769N85.7Confident90.7Very high154 Ų15466.7 Ų66.782%0.82436%0.358SS*.SBendtrans-88.6-3.8178.4-69.3-21.2000112.8
770D90.2Very high90.8Very high74 Ų7466.9 Ų66.940%0.39635%0.353SS..  trans-101.825.5179.953.4-42.2000112.3Y766 G768 E772 I773 V774Y766-D770 PolarHBondContact OH-OD1 3Å; Y766-D770 PolarHBondContact OH-OD2 2.56Å; G768-D770 VanDerWaalsContact C-N 3.33Å; D770-E772 PolarHBondContact O-N 3.26Å; D770-I773 PolarHBondContact O-N 2.98Å; D770-I773 VanDerWaalsContact O-N 3.09Å; D770-V774 HydrophobicContact CB-CG2 4.46Å; D770-V774 WeakPolarHBondContact O-CG2 3.2Å; D770-V774 PolarHBondContact O-N 2.93Å; D770-V774 WeakPolarHBondContact OD2-CG2 3.47Å
771F90.6Very high90.6Very high0 Ų066.5 Ų66.50%035%0.351CS..Hα-helixtrans-50.7-51.7-174.8179-87.2000112.9L763 Y766 I773 V774 F775 V803 T804 K805 R808L763-F771 HydrophobicContact CD1-CZ 4.48Å; L763-F771 HydrophobicContact CD2-CZ 4.21Å; L763-F771 HydrophobicContact CG-CE2 4.16Å; L763-F771 HydrophobicContact CG-CZ 3.93Å; L763-F771 WeakPolarHBondContact O-CE2 3.39Å; Y766-F771 HydrophobicContact CD1-CB 4.14Å; Y766-F771 AromaticContact CD1-CD2 3.74Å; Y766-F771 HydrophobicContact CD1-CD2 3.74Å; Y766-F771 HydrophobicContact CD1-CG 4.43Å; Y766-F771 HydrophobicContact CE1-CB 4.21Å; Y766-F771 HydrophobicContact CG-CD2 4.32Å; F771-I773 VanDerWaalsContact C-N 3.26Å; F771-I773 PolarHBondContact O-N 3.44Å; F771-V774 PolarHBondContact O-N 3.41Å; F771-F775 HydrophobicContact CD1-CD2 4.43Å; F771-F775 AromaticContact CD2-CD2 3.6Å; F771-F775 HydrophobicContact CD2-CD2 3.6Å; F771-F775 AromaticContact CD2-CE2 3.63Å; F771-F775 HydrophobicContact CD2-CE2 3.63Å; F771-F775 HydrophobicContact CE1-CD2 4.34Å; F771-F775 AromaticContact CE2-CD2 3.48Å; F771-F775 HydrophobicContact CE2-CD2 3.48Å; F771-F775 VanDerWaalsContact CE2-CD2 3.48Å; F771-F775 AromaticContact CE2-CE2 3.54Å; F771-F775 HydrophobicContact CE2-CE2 3.54Å; F771-F775 HydrophobicContact CE2-CG 4.42Å; F771-F775 HydrophobicContact CG-CD2 4.08Å; F771-F775 HydrophobicContact CG-CE2 4.49Å; F771-F775 AromaticContact CZ-CD2 3.88Å; F771-F775 HydrophobicContact CZ-CD2 3.88Å; F771-F775 HydrophobicContact CZ-CE2 4.35Å; F771-F775 HydrophobicContact CZ-CG 4.47Å; F771-F775 WeakPolarHBondContact O-CD2 3.31Å; F771-F775 PolarHBondContact O-N 2.91Å; F771-V803 HydrophobicContact CE1-CG1 4.13Å; F771-V803 HydrophobicContact CZ-CG1 4.29Å; F771-T804 WeakPolarHBondContact CE1-O 3.36Å; F771-K805 HydrophobicContact CB-CB 4.18Å; F771-K805 HydrophobicContact CB-CG 4.5Å; F771-K805 HydrophobicContact CD1-CB 4.24Å; F771-K805 VanDerWaalsContact CD1-N 3.3Å; F771-K805 HydrophobicContact CG-CB 4.07Å; F771-K805 HydrophobicContact CG-CG 4.43Å; F771-R808 HydrophobicContact CE1-CB 4.47Å; F771-R808 HydrophobicContact CE2-CB 4.42Å; F771-R808 HydrophobicContact CZ-CB 3.78Å
772E86.3Confident90.4Very high75 Ų7567.8 Ų67.835%0.3536%0.363SS..Hα-helixtrans-64.8-32.3-176.4-65.771.5-158.700111.7D770 S776 T804 K805D770-E772 PolarHBondContact O-N 3.26Å; E772-S776 VanDerWaalsContact O-CA 3.3Å; E772-S776 WeakPolarHBondContact O-CA 3.44Å; E772-S776 PolarHBondContact O-N 3.16Å; E772-S776 PolarHBondContact O-OG 3.13Å; E772-T804 HydrophobicContact CG-CG2 4.29Å; E772-T804 VanDerWaalsContact OE1-CA 3.29Å; E772-T804 WeakPolarHBondContact OE1-CA 3.2Å; E772-T804 VanDerWaalsContact OE1-CB 3.31Å; E772-T804 WeakPolarHBondContact OE1-CB 3.4Å; E772-K805 PolarHBondContact OE1-N 3.49Å
773I87.1Confident90Very high136 Ų13662.4 Ų62.470%0.69734%0.338SS*.Hα-helixtrans-74.2-44.7177.6-60.5173.8000109.8D770 F771 S776D770-I773 PolarHBondContact O-N 2.98Å; D770-I773 VanDerWaalsContact O-N 3.09Å; F771-I773 VanDerWaalsContact C-N 3.26Å; F771-I773 PolarHBondContact O-N 3.44Å; I773-S776 PolarHBondContact O-OG 3.33Å
774V87.2Confident89Confident74 Ų7466.3 Ų66.345%0.44837%0.366SS..Hα-helixtrans-67.4-46.4-176169.10000112.4Y766 D770 F771Y766-V774 HydrophobicContact CE2-CG1 4.13Å; Y766-V774 WeakPolarHBondContact OH-CG2 3.34Å; D770-V774 HydrophobicContact CB-CG2 4.46Å; D770-V774 WeakPolarHBondContact O-CG2 3.2Å; D770-V774 PolarHBondContact O-N 2.93Å; D770-V774 WeakPolarHBondContact OD2-CG2 3.47Å; F771-V774 PolarHBondContact O-N 3.41Å
775F89.7Confident87.8Confident49 Ų4966.9 Ų66.922%0.21537%0.37CS..Hα-helixtrans-89.8-38.4-177.1-67.3-78.4000112.8L763 Y766 F771 L777L763-F775 HydrophobicContact CB-CD1 4.33Å; L763-F775 HydrophobicContact CB-CE1 3.88Å; L763-F775 HydrophobicContact CB-CZ 4.15Å; L763-F775 HydrophobicContact CD1-CD1 4Å; L763-F775 HydrophobicContact CD1-CE1 4.4Å; L763-F775 HydrophobicContact CD1-CG 4.29Å; L763-F775 HydrophobicContact CG-CD1 4.3Å; L763-F775 HydrophobicContact CG-CE1 4.28Å; Y766-F775 AromaticContact CD1-CE2 3.96Å; Y766-F775 HydrophobicContact CD1-CE2 3.96Å; Y766-F775 AromaticContact CD2-CE2 3.87Å; Y766-F775 HydrophobicContact CD2-CE2 3.87Å; Y766-F775 HydrophobicContact CD2-CZ 4.07Å; Y766-F775 AromaticContact CG-CE2 3.54Å; Y766-F775 HydrophobicContact CG-CE2 3.54Å; Y766-F775 HydrophobicContact CG-CZ 4.04Å; F771-F775 HydrophobicContact CD1-CD2 4.43Å; F771-F775 AromaticContact CD2-CD2 3.6Å; F771-F775 HydrophobicContact CD2-CD2 3.6Å; F771-F775 AromaticContact CD2-CE2 3.63Å; F771-F775 HydrophobicContact CD2-CE2 3.63Å; F771-F775 HydrophobicContact CE1-CD2 4.34Å; F771-F775 AromaticContact CE2-CD2 3.48Å; F771-F775 HydrophobicContact CE2-CD2 3.48Å; F771-F775 VanDerWaalsContact CE2-CD2 3.48Å; F771-F775 AromaticContact CE2-CE2 3.54Å; F771-F775 HydrophobicContact CE2-CE2 3.54Å; F771-F775 HydrophobicContact CE2-CG 4.42Å; F771-F775 HydrophobicContact CG-CD2 4.08Å; F771-F775 HydrophobicContact CG-CE2 4.49Å; F771-F775 AromaticContact CZ-CD2 3.88Å; F771-F775 HydrophobicContact CZ-CD2 3.88Å; F771-F775 HydrophobicContact CZ-CE2 4.35Å; F771-F775 HydrophobicContact CZ-CG 4.47Å; F771-F775 WeakPolarHBondContact O-CD2 3.31Å; F771-F775 PolarHBondContact O-N 2.91Å; F775-L777 VanDerWaalsContact C-N 3.26Å; F775-L777 HydrophobicContact CB-CD1 4.22Å; F775-L777 HydrophobicContact CB-CG 4.19Å; F775-L777 WeakPolarHBondContact O-CG 3.4Å; F775-L777 PolarHBondContact O-N 2.96Å
776S89.7Confident86.4Confident94 Ų9466.6 Ų66.666%0.65736%0.364SS*.  trans46.546179.6-67.70000113.7E772 I773E772-S776 VanDerWaalsContact O-CA 3.3Å; E772-S776 WeakPolarHBondContact O-CA 3.44Å; E772-S776 PolarHBondContact O-N 3.16Å; E772-S776 PolarHBondContact O-OG 3.13Å; I773-S776 PolarHBondContact O-OG 3.33Å
777L92.9Very high85.1Confident69 Ų6967.1 Ų67.136%0.36139%0.387SS..  trans-101.4152.1-178.4-63.4173.2000111.7L763 F775 V803 F811L763-L777 HydrophobicContact CD1-CD1 3.43Å; L763-L777 VanDerWaalsContact CD1-CD1 3.43Å; F775-L777 VanDerWaalsContact C-N 3.26Å; F775-L777 HydrophobicContact CB-CD1 4.22Å; F775-L777 HydrophobicContact CB-CG 4.19Å; F775-L777 WeakPolarHBondContact O-CG 3.4Å; F775-L777 PolarHBondContact O-N 2.96Å; L777-V803 HydrophobicContact CB-CB 3.98Å; L777-V803 HydrophobicContact CB-CG2 3.73Å; L777-V803 PolarHBondContact O-N 3.04Å; L777-F811 HydrophobicContact CD1-CE1 4.03Å; L777-F811 HydrophobicContact CD1-CZ 4.19Å
778A93.1Very high84.3Confident27 Ų2766.5 Ų66.522%0.22338%0.384CS..BIsolated β-bridgetrans-112.5170163.800000109.4Q780 I801 F811A778-Q780 HydrophobicContact CB-CG 4.49Å; A778-Q780 PolarHBondContact O-N 3.36Å; A778-I801 WeakPolarHBondContact CA-O 3.48Å; A778-F811 WeakPolarHBondContact O-CE2 3.39Å
779F96.3Very high83.9Confident0 Ų069.9 Ų69.90%040%0.404CS..SBendtrans-73.457.5176.4-82.8-105.2000112.3L794 K795 G798 I801 V803 N807 E810 F811 L814F779-L794 WeakPolarHBondContact O-CB 3.22Å; F779-L794 PolarHBondContact O-N 2.91Å; F779-K795 HydrophobicContact CB-CD 4.22Å; F779-K795 HydrophobicContact CB-CG 4.02Å; F779-K795 HydrophobicContact CD1-CD 3.5Å; F779-K795 VanDerWaalsContact CD1-CD 3.5Å; F779-K795 HydrophobicContact CD1-CG 4.12Å; F779-K795 HydrophobicContact CE1-CD 3.94Å; F779-K795 HydrophobicContact CG-CD 3.88Å; F779-K795 HydrophobicContact CG-CG 4.25Å; F779-G798 PolarHBondContact N-O 3.29Å; F779-G798 WeakPolarHBondContact O-CA 3.44Å; F779-I801 HydrophobicContact CD2-CB 4.17Å; F779-I801 HydrophobicContact CD2-CG2 3.71Å; F779-I801 WeakPolarHBondContact CD2-O 3.47Å; F779-I801 HydrophobicContact CE2-CG2 3.98Å; F779-I801 PolarHBondContact N-O 2.89Å; F779-I801 VanDerWaalsContact N-O 3.08Å; F779-V803 HydrophobicContact CD2-CG2 3.91Å; F779-V803 HydrophobicContact CE2-CG2 4Å; F779-N807 HydrophobicContact CE2-CB 4.41Å; F779-N807 HydrophobicContact CZ-CB 4.11Å; F779-E810 HydrophobicContact CE1-CB 4.11Å; F779-E810 HydrophobicContact CE1-CG 3.99Å; F779-E810 HydrophobicContact CZ-CB 4.23Å; F779-E810 HydrophobicContact CZ-CG 4.44Å; F779-F811 HydrophobicContact CD1-CB 4.3Å; F779-F811 HydrophobicContact CD1-CD2 4.14Å; F779-F811 VanDerWaalsContact CE1-CA 3.49Å; F779-F811 HydrophobicContact CE1-CB 3.78Å; F779-F811 HydrophobicContact CE1-CD2 4.46Å; F779-F811 HydrophobicContact CE2-CB 4.44Å; F779-F811 HydrophobicContact CG-CD2 4.23Å; F779-F811 HydrophobicContact CZ-CB 3.86Å; F779-L814 HydrophobicContact CD1-CD1 3.79Å; F779-L814 HydrophobicContact CE1-CD1 3.91Å
780Q94.1Very high83.8Confident64 Ų6468.7 Ų68.730%0.29939%0.391SS..EExtended strand (participates in β ladder)trans-130.5154.3178.2-61.2-171.4-48.600110.8A778 T791 I792 D793 A799A778-Q780 HydrophobicContact CB-CG 4.49Å; A778-Q780 PolarHBondContact O-N 3.36Å; Q780-T791 HydrophobicContact CB-CG2 3.75Å; Q780-T791 HydrophobicContact CG-CG2 4.2Å; Q780-I792 CarbonylContact C-O 3.56Å; Q780-I792 VanDerWaalsContact CA-O 3.28Å; Q780-I792 WeakPolarHBondContact CA-O 3.4Å; Q780-D793 WeakPolarHBondContact CG-OD1 3.36Å; Q780-D793 PolarHBondContact NE2-OD1 2.79Å; Q780-A799 HydrophobicContact CG-CB 4.37Å
781I91.3Very high83.7Confident3 Ų368.6 Ų68.62%0.01539%0.393CS..EExtended strand (participates in β ladder)trans-124.1135.1171-171.3171.4000110.1V783 T791 I792 L794 Y815 Y818 K819I781-V783 HydrophobicContact CD1-CG1 4.42Å; I781-V783 HydrophobicContact CG1-CG1 4.33Å; I781-T791 CarbonylContact O-C 3.51Å; I781-T791 WeakPolarHBondContact O-CA 3.31Å; I781-I792 HydrophobicContact CG2-CB 4Å; I781-I792 PolarHBondContact N-O 2.88Å; I781-I792 PolarHBondContact O-N 3.04Å; I781-L794 HydrophobicContact CB-CD2 4Å; I781-L794 HydrophobicContact CB-CG 4.31Å; I781-L794 HydrophobicContact CG2-CD2 3.66Å; I781-L794 HydrophobicContact CG2-CG 4.27Å; I781-Y815 HydrophobicContact CB-CD2 4.47Å; I781-Y815 HydrophobicContact CB-CE2 4.26Å; I781-Y815 HydrophobicContact CD1-CD1 4.32Å; I781-Y815 HydrophobicContact CD1-CD2 3.88Å; I781-Y815 HydrophobicContact CD1-CE1 3.92Å; I781-Y815 HydrophobicContact CD1-CE2 3.45Å; I781-Y815 VanDerWaalsContact CD1-CE2 3.45Å; I781-Y815 HydrophobicContact CD1-CG 4.29Å; I781-Y815 VanDerWaalsContact CD1-CZ 3.46Å; I781-Y815 HydrophobicContact CG1-CD2 4.17Å; I781-Y815 HydrophobicContact CG1-CE2 3.57Å; I781-Y818 HydrophobicContact CD1-CD1 3.79Å; I781-Y818 HydrophobicContact CD1-CE1 4.24Å; I781-Y818 HydrophobicContact CG2-CD1 3.79Å; I781-Y818 HydrophobicContact CG2-CE1 3.84Å; I781-Y818 HydrophobicContact CG2-CG 4.3Å; I781-K819 HydrophobicContact CD1-CD 4.13Å; I781-K819 VanDerWaalsContact CD1-CE 3.41Å; I781-K819 HydrophobicContact CD1-CG 3.97Å
782T87.2Confident83.6Confident84 Ų8470.5 Ų70.552%0.51540%0.403SS..EExtended strand (participates in β ladder)trans-99118.7173.7-53.80000109
783V82.7Confident84Confident13 Ų1370.2 Ų70.28%0.07940%0.404CS..EExtended strand (participates in β ladder)trans-112135.3176.3-66.80000110.1I781 V785 K790 I792 Y818I781-V783 HydrophobicContact CD1-CG1 4.42Å; I781-V783 HydrophobicContact CG1-CG1 4.33Å; V783-V785 HydrophobicContact CG2-CG2 4.09Å; V783-K790 HydrophobicContact CG2-CB 4.29Å; V783-K790 WeakPolarHBondContact CG2-O 3.3Å; V783-K790 PolarHBondContact N-O 3.43Å; V783-K790 PolarHBondContact O-N 2.92Å; V783-I792 HydrophobicContact CG2-CD1 3.66Å; V783-I792 HydrophobicContact CG2-CG1 4.44Å; V783-Y818 HydrophobicContact CG1-CE1 4.1Å
784S71.1Confident84.3Confident86 Ų8664.4 Ų64.460%0.60137%0.374SS*.EExtended strand (participates in β ladder)trans-83.5118.5172.9-170.70000109.4
785V68.4Low84.6Confident41 Ų4162.6 Ų62.625%0.24836%0.361CS..EExtended strand (participates in β ladder)trans-116.3103.2178.8179.20000106.5V684 V783 G787 E788 K790V684-V785 HydrophobicContact CB-CG1 4.4Å; V684-V785 HydrophobicContact CG1-CG1 3.64Å; V684-V785 HydrophobicContact CG2-CB 4.32Å; V684-V785 HydrophobicContact CG2-CG1 3.84Å; V684-V785 HydrophobicContact CG2-CG2 4.01Å; V783-V785 HydrophobicContact CG2-CG2 4.09Å; V785-G787 VanDerWaalsContact C-N 3.25Å; V785-G787 PolarHBondContact O-N 2.94Å; V785-E788 PolarHBondContact N-O 3.46Å; V785-E788 PolarHBondContact O-N 3.17Å; V785-K790 HydrophobicContact CG2-CB 4.38Å
786F63.6Low84.6Confident106 Ų10665.6 Ų65.647%0.46539%0.385SS..THydrogen-bonded Turntrans51.536.9-176.8-65.2-65.4000115.5V684 T685 F686 V689 E788V684-F786 HydrophobicContact CB-CE2 4.3Å; V684-F786 HydrophobicContact CG1-CD2 3.54Å; V684-F786 HydrophobicContact CG1-CE2 3.08Å; V684-F786 HydrophobicContact CG1-CZ 3.74Å; T685-F786 VanDerWaalsContact O-CZ 3.25Å; T685-F786 WeakPolarHBondContact O-CZ 3.49Å; F686-F786 HydrophobicContact CD2-CE1 4.49Å; V689-F786 HydrophobicContact CB-CD2 4.49Å; V689-F786 HydrophobicContact CB-CE2 4.44Å; V689-F786 HydrophobicContact CG2-CD2 3.34Å; V689-F786 HydrophobicContact CG2-CE2 3.46Å; V689-F786 VanDerWaalsContact CG2-CE2 3.46Å; V689-F786 HydrophobicContact CG2-CG 4.19Å; V689-F786 HydrophobicContact CG2-CZ 4.44Å; F786-E788 VanDerWaalsContact C-N 3.31Å
787G65.4Low84.6Confident67 Ų6766.4 Ų66.469%0.69138%0.382SS*.THydrogen-bonded Turntrans87.5-8.8-179.500000114.5V785V785-G787 VanDerWaalsContact C-N 3.25Å; V785-G787 PolarHBondContact O-N 2.94Å
788E71.2Confident84.6Confident157 Ų15763.1 Ų63.173%0.73436%0.364SS*.EExtended strand (participates in β ladder)trans-92.3129.7169-67.4-170.4166.700110.6V785 F786 K790V785-E788 PolarHBondContact N-O 3.46Å; V785-E788 PolarHBondContact O-N 3.17Å; F786-E788 VanDerWaalsContact C-N 3.31Å; E788-K790 PolarHBondContact O-N 2.87Å
789S78.3Confident84.4Confident94 Ų9463.8 Ų63.866%0.65737%0.37SS*.EExtended strand (participates in β ladder)trans-82117.3175.9-66.40000110.1
790K82.9Confident84.2Confident130 Ų13070.1 Ų70.157%0.56540%0.404SS*.EExtended strand (participates in β ladder)trans-109.7122.6174.9-172.4177.6-179.1179.40110V783 V785 E788 I792V783-K790 HydrophobicContact CG2-CB 4.29Å; V783-K790 WeakPolarHBondContact CG2-O 3.3Å; V783-K790 PolarHBondContact N-O 3.43Å; V783-K790 PolarHBondContact O-N 2.92Å; V785-K790 HydrophobicContact CG2-CB 4.38Å; E788-K790 PolarHBondContact O-N 2.87Å; K790-I792 HydrophobicContact CG-CG1 4.36Å
791T88.7Confident84.2Confident71 Ų7169.5 Ų69.544%0.43640%0.402SS..EExtended strand (participates in β ladder)trans-90.6134.5175.4-50.60000110.3Q780 I781Q780-T791 HydrophobicContact CB-CG2 3.75Å; Q780-T791 HydrophobicContact CG-CG2 4.2Å; I781-T791 CarbonylContact O-C 3.51Å; I781-T791 WeakPolarHBondContact O-CA 3.31Å
792I88.9Confident84.2Confident41 Ų4173 Ų7321%0.2143%0.425CS..EExtended strand (participates in β ladder)trans-130.6128.6-175.4-59.8172.7000108.7Q780 I781 V783 K790 L794 Y818Q780-I792 CarbonylContact C-O 3.56Å; Q780-I792 VanDerWaalsContact CA-O 3.28Å; Q780-I792 WeakPolarHBondContact CA-O 3.4Å; I781-I792 HydrophobicContact CG2-CB 4Å; I781-I792 PolarHBondContact N-O 2.88Å; I781-I792 PolarHBondContact O-N 3.04Å; V783-I792 HydrophobicContact CG2-CD1 3.66Å; V783-I792 HydrophobicContact CG2-CG1 4.44Å; K790-I792 HydrophobicContact CG-CG1 4.36Å; I792-L794 PolarHBondContact O-N 2.85Å; I792-Y818 HydrophobicContact CD1-CE2 4.43Å; I792-Y818 WeakPolarHBondContact CD1-OH 3.28Å; I792-Y818 HydrophobicContact CG2-CE2 4.05Å
793D94.3Very high84.6Confident69 Ų6969.2 Ų69.237%0.36940%0.402SS..EExtended strand (participates in β ladder)trans-70.2126.7174.4-75.817.7000110.6Q780 G798 A799Q780-D793 WeakPolarHBondContact CG-OD1 3.36Å; Q780-D793 PolarHBondContact NE2-OD1 2.79Å; D793-G798 PolarHBondContact OD2-N 2.82Å; D793-A799 PolarHBondContact OD2-N 2.81Å
794L93.6Very high85Confident13 Ų1370 Ų707%0.06841%0.407CS..SBendtrans-77-24.9179.2-69.1176.3000112.6F779 I781 I792 F811 L814 Y815 Y818F779-L794 WeakPolarHBondContact O-CB 3.22Å; F779-L794 PolarHBondContact O-N 2.91Å; I781-L794 HydrophobicContact CB-CD2 4Å; I781-L794 HydrophobicContact CB-CG 4.31Å; I781-L794 HydrophobicContact CG2-CD2 3.66Å; I781-L794 HydrophobicContact CG2-CG 4.27Å; I792-L794 PolarHBondContact O-N 2.85Å; L794-F811 HydrophobicContact CD1-CD2 4Å; L794-F811 HydrophobicContact CD1-CE2 3.74Å; L794-L814 HydrophobicContact CB-CB 4.15Å; L794-L814 HydrophobicContact CD1-CB 4.44Å; L794-Y815 HydrophobicContact CD1-CD2 4.36Å; L794-Y818 HydrophobicContact CD2-CD2 4.47Å; L794-Y818 HydrophobicContact CD2-CG 3.95Å
795K92.6Very high85.8Confident37 Ų3768.6 Ų68.616%0.16139%0.39CS..SBendtrans-142.4163.917472.3-169.1-170.5-171.70110.5F779 N797 G798 I801 E810 L814F779-K795 HydrophobicContact CB-CD 4.22Å; F779-K795 HydrophobicContact CB-CG 4.02Å; F779-K795 HydrophobicContact CD1-CD 3.5Å; F779-K795 VanDerWaalsContact CD1-CD 3.5Å; F779-K795 HydrophobicContact CD1-CG 4.12Å; F779-K795 HydrophobicContact CE1-CD 3.94Å; F779-K795 HydrophobicContact CG-CD 3.88Å; F779-K795 HydrophobicContact CG-CG 4.25Å; K795-N797 PolarHBondContact O-N 2.91Å; K795-G798 WeakPolarHBondContact O-CA 3.36Å; K795-G798 PolarHBondContact O-N 2.59Å; K795-I801 HydrophobicContact CD-CD1 4.31Å; K795-I801 VanDerWaalsContact CE-CD1 3.41Å; K795-I801 HydrophobicContact CG-CD1 4.19Å; K795-E810 WeakPolarHBondContact CD-OE1 3.18Å; K795-E810 IonicContact NZ-OE1 2.77Å; K795-E810 PolarHBondContact NZ-OE1 2.84Å; K795-E810 IonicContact NZ-OE2 3.86Å; K795-E810 PolarHBondContact NZ-OE2 2.67Å; K795-L814 HydrophobicContact CB-CD1 4.05Å; K795-L814 HydrophobicContact CD-CD1 3.95Å; K795-L814 HydrophobicContact CG-CD1 4.48Å
796P90.2Very high86.8Confident111 Ų11174 Ų7472%0.72141%0.413SS*.THydrogen-bonded Turntrans-54.1129.1179.7-25.435000111.7G798P796-G798 PolarHBondContact O-N 3.28Å
797N91Very high88.3Confident111 Ų11170.5 Ų70.559%0.59440%0.399SS*.THydrogen-bonded Turntrans5833.6-173.7-47-34.8000113K795 A799 D800 I801K795-N797 PolarHBondContact O-N 2.91Å; N797-A799 PolarHBondContact O-N 3.06Å; N797-D800 PolarHBondContact O-N 2.95Å; N797-I801 WeakPolarHBondContact O-CG1 3.39Å; N797-I801 PolarHBondContact O-N 2.74Å
798G90.9Very high89.6Confident0 Ų069.9 Ų69.90%038%0.375CS..G310 helixtrans-59.5-30-176.800000113F779 D793 K795 P796 D800 I801F779-G798 PolarHBondContact N-O 3.29Å; F779-G798 WeakPolarHBondContact O-CA 3.44Å; D793-G798 PolarHBondContact OD2-N 2.82Å; K795-G798 WeakPolarHBondContact O-CA 3.36Å; K795-G798 PolarHBondContact O-N 2.59Å; P796-G798 PolarHBondContact O-N 3.28Å; G798-D800 PolarHBondContact O-N 3Å; G798-I801 PolarHBondContact O-N 2.83Å
799A90.5Very high90.8Very high42 Ų4266.8 Ų66.835%0.34736%0.361SS..G310 helixtrans-55.7-36.7171.300000113.7Q780 D793 N797Q780-A799 HydrophobicContact CG-CB 4.37Å; D793-A799 PolarHBondContact OD2-N 2.81Å; N797-A799 PolarHBondContact O-N 3.06Å
800D91.8Very high91.6Very high132 Ų13266.4 Ų66.471%0.70635%0.349SS*.G310 helixtrans-94.5-1.8-173.2-58.2-46.7000112.5N797 G798N797-D800 PolarHBondContact O-N 2.95Å; G798-D800 PolarHBondContact O-N 3Å
801I93.2Very high92.2Very high52 Ų5260.5 Ų60.527%0.26732%0.323SS..SBendtrans-109.4107.4-176.7-58.2167.6000108.4A778 F779 K795 N797 G798A778-I801 WeakPolarHBondContact CA-O 3.48Å; F779-I801 HydrophobicContact CD2-CB 4.17Å; F779-I801 HydrophobicContact CD2-CG2 3.71Å; F779-I801 WeakPolarHBondContact CD2-O 3.47Å; F779-I801 HydrophobicContact CE2-CG2 3.98Å; F779-I801 PolarHBondContact N-O 2.89Å; F779-I801 VanDerWaalsContact N-O 3.08Å; K795-I801 HydrophobicContact CD-CD1 4.31Å; K795-I801 VanDerWaalsContact CE-CD1 3.41Å; K795-I801 HydrophobicContact CG-CD1 4.19Å; N797-I801 WeakPolarHBondContact O-CG1 3.39Å; N797-I801 PolarHBondContact O-N 2.74Å; G798-I801 PolarHBondContact O-N 2.83Å
802P92.7Very high92.5Very high77 Ų7757.1 Ų57.150%0.530%0.303SS..BIsolated β-bridgetrans-70.3146.5176.928.3-33.5000111.2T804 N807P802-T804 PolarHBondContact O-N 2.96Å; P802-N807 PolarHBondContact O-ND2 3.04Å
803V93.8Very high92.8Very high3 Ų359.4 Ų59.42%0.01832%0.315CS..  trans-79.5117.2169.5-173.30000107.8F771 L777 F779 N807 R808 F811F771-V803 HydrophobicContact CE1-CG1 4.13Å; F771-V803 HydrophobicContact CZ-CG1 4.29Å; L777-V803 HydrophobicContact CB-CB 3.98Å; L777-V803 HydrophobicContact CB-CG2 3.73Å; L777-V803 PolarHBondContact O-N 3.04Å; F779-V803 HydrophobicContact CD2-CG2 3.91Å; F779-V803 HydrophobicContact CE2-CG2 4Å; V803-N807 VanDerWaalsContact CA-OD1 3.31Å; V803-N807 WeakPolarHBondContact CA-OD1 3.3Å; V803-R808 HydrophobicContact CG1-CB 4.32Å; V803-F811 HydrophobicContact CG1-CB 3.9Å; V803-F811 HydrophobicContact CG1-CD1 4.36Å; V803-F811 HydrophobicContact CG1-CG 4.06Å; V803-F811 HydrophobicContact CG2-CB 4.06Å; V803-F811 HydrophobicContact CG2-CD1 4.37Å; V803-F811 HydrophobicContact CG2-CD2 3.46Å; V803-F811 VanDerWaalsContact CG2-CD2 3.46Å; V803-F811 HydrophobicContact CG2-CE2 3.95Å; V803-F811 HydrophobicContact CG2-CG 3.7Å
804T91.2Very high92.9Very high31 Ų3157.7 Ų57.719%0.1931%0.306CS..  trans-112.1167.9179.276.10000110.4F771 E772 P802 E806 N807 R808F771-T804 WeakPolarHBondContact CE1-O 3.36Å; E772-T804 HydrophobicContact CG-CG2 4.29Å; E772-T804 VanDerWaalsContact OE1-CA 3.29Å; E772-T804 WeakPolarHBondContact OE1-CA 3.2Å; E772-T804 VanDerWaalsContact OE1-CB 3.31Å; E772-T804 WeakPolarHBondContact OE1-CB 3.4Å; P802-T804 PolarHBondContact O-N 2.96Å; T804-E806 WeakPolarHBondContact CB-OE2 3.3Å; T804-E806 PolarHBondContact O-N 3.16Å; T804-E806 VanDerWaalsContact O-N 3.12Å; T804-E806 PolarHBondContact OG1-N 3Å; T804-E806 PolarHBondContact OG1-OE2 2.81Å; T804-N807 PolarHBondContact N-OD1 3.43Å; T804-N807 PolarHBondContact O-N 3.06Å; T804-N807 PolarHBondContact O-OD1 2.94Å; T804-R808 WeakPolarHBondContact O-CB 3.18Å; T804-R808 PolarHBondContact O-N 2.8Å
805K88.4Confident93Very high56 Ų5658.7 Ų58.724%0.24331%0.309CS..THydrogen-bonded Turntrans-56-30.6178.8-162.9173.5-175.3164.40113E767 G768 F771 E772 R808E767-K805 PolarHBondContact O-NZ 2.86Å; G768-K805 PolarHBondContact O-NZ 2.77Å; F771-K805 HydrophobicContact CB-CB 4.18Å; F771-K805 HydrophobicContact CB-CG 4.5Å; F771-K805 HydrophobicContact CD1-CB 4.24Å; F771-K805 VanDerWaalsContact CD1-N 3.3Å; F771-K805 HydrophobicContact CG-CB 4.07Å; F771-K805 HydrophobicContact CG-CG 4.43Å; E772-K805 PolarHBondContact OE1-N 3.49Å; K805-R808 VanDerWaalsContact O-CD 3.24Å; K805-R808 WeakPolarHBondContact O-CD 3.35Å; K805-R808 VanDerWaalsContact O-CG 3.29Å; K805-R808 WeakPolarHBondContact O-CG 3.42Å; K805-R808 PolarHBondContact O-NE 3.15Å
806E90.3Very high93.1Very high155 Ų15557.1 Ų57.172%0.72430%0.303SS*.THydrogen-bonded Turntrans-82.4-35.4-178.4-57.774.4-163.600113.2T804T804-E806 WeakPolarHBondContact CB-OE2 3.3Å; T804-E806 PolarHBondContact O-N 3.16Å; T804-E806 VanDerWaalsContact O-N 3.12Å; T804-E806 PolarHBondContact OG1-N 3Å; T804-E806 PolarHBondContact OG1-OE2 2.81Å
807N93.9Very high93.2Very high32 Ų3254.1 Ų54.117%0.17128%0.28CS..THydrogen-bonded Turntrans-99.60.4-175.474.221.4000113.5F779 P802 V803 T804 Q809 E810 F811F779-N807 HydrophobicContact CE2-CB 4.41Å; F779-N807 HydrophobicContact CZ-CB 4.11Å; P802-N807 PolarHBondContact O-ND2 3.04Å; V803-N807 VanDerWaalsContact CA-OD1 3.31Å; V803-N807 WeakPolarHBondContact CA-OD1 3.3Å; T804-N807 PolarHBondContact N-OD1 3.43Å; T804-N807 PolarHBondContact O-N 3.06Å; T804-N807 PolarHBondContact O-OD1 2.94Å; N807-Q809 VanDerWaalsContact C-N 3.27Å; N807-Q809 PolarHBondContact O-N 3.36Å; N807-E810 VanDerWaalsContact O-CB 3.28Å; N807-E810 WeakPolarHBondContact O-CB 3.39Å; N807-E810 PolarHBondContact O-N 2.68Å; N807-F811 PolarHBondContact O-N 3.39Å; N807-F811 VanDerWaalsContact O-N 3.15Å
808R93.8Very high93.3Very high53 Ų5350.4 Ų50.420%0.226%0.258CS..Hα-helixtrans-54.3-35.8-178.667.8-175.1178.8-169.64.8114.9L763 L764 Y766 F771 V803 T804 K805 F811 V812L763-R808 HydrophobicContact CD2-CB 3.67Å; L764-R808 HydrophobicContact CD2-CG 4.05Å; L764-R808 PolarHBondContact O-NH2 3.2Å; L764-R808 VanDerWaalsContact O-NH2 3.1Å; Y766-R808 PolarHBondContact O-NH1 2.82Å; F771-R808 HydrophobicContact CE1-CB 4.47Å; F771-R808 HydrophobicContact CE2-CB 4.42Å; F771-R808 HydrophobicContact CZ-CB 3.78Å; V803-R808 HydrophobicContact CG1-CB 4.32Å; T804-R808 WeakPolarHBondContact O-CB 3.18Å; T804-R808 PolarHBondContact O-N 2.8Å; K805-R808 VanDerWaalsContact O-CD 3.24Å; K805-R808 WeakPolarHBondContact O-CD 3.35Å; K805-R808 VanDerWaalsContact O-CG 3.29Å; K805-R808 WeakPolarHBondContact O-CG 3.42Å; K805-R808 PolarHBondContact O-NE 3.15Å; R808-F811 WeakPolarHBondContact O-CB 3.29Å; R808-F811 PolarHBondContact O-N 3.19Å; R808-V812 WeakPolarHBondContact O-CG2 3.48Å; R808-V812 PolarHBondContact O-N 2.67Å
809Q95.2Very high93.3Very high93 Ų9351.8 Ų51.844%0.43526%0.264SS..Hα-helixtrans-64.5-43.2176.6-17363.655.500111L764 N807 F811 V812 D813L764-Q809 HydrophobicContact CD2-CB 4.44Å; N807-Q809 VanDerWaalsContact C-N 3.27Å; N807-Q809 PolarHBondContact O-N 3.36Å; Q809-F811 VanDerWaalsContact C-N 3.28Å; Q809-F811 PolarHBondContact O-N 3.25Å; Q809-V812 PolarHBondContact O-N 2.82Å; Q809-D813 PolarHBondContact NE2-OD1 3.24Å; Q809-D813 WeakPolarHBondContact O-CB 3.38Å; Q809-D813 PolarHBondContact O-N 3.26Å
810E95.6Very high93.4Very high85 Ų8549.8 Ų49.840%0.39725%0.248SC..Hα-helixtrans-60.7-39.6175.9-169.3-159.7163.500110.9F779 K795 N807 L814F779-E810 HydrophobicContact CE1-CB 4.11Å; F779-E810 HydrophobicContact CE1-CG 3.99Å; F779-E810 HydrophobicContact CZ-CB 4.23Å; F779-E810 HydrophobicContact CZ-CG 4.44Å; K795-E810 WeakPolarHBondContact CD-OE1 3.18Å; K795-E810 IonicContact NZ-OE1 2.77Å; K795-E810 PolarHBondContact NZ-OE1 2.84Å; K795-E810 IonicContact NZ-OE2 3.86Å; K795-E810 PolarHBondContact NZ-OE2 2.67Å; N807-E810 VanDerWaalsContact O-CB 3.28Å; N807-E810 WeakPolarHBondContact O-CB 3.39Å; N807-E810 PolarHBondContact O-N 2.68Å; E810-L814 HydrophobicContact CG-CD1 4.08Å; E810-L814 WeakPolarHBondContact O-CB 3.04Å; E810-L814 VanDerWaalsContact O-CG 3.25Å; E810-L814 WeakPolarHBondContact O-CG 3.24Å; E810-L814 PolarHBondContact O-N 3.34Å
811F95.6Very high93.4Very high6 Ų645.7 Ų45.73%0.02623%0.226CC..Hα-helixtrans-61.8-48.4175.8175.2-99.9000111.5L760 L763 L777 A778 F779 L794 V803 N807 R808 Q809 L814 Y815L760-F811 HydrophobicContact CD2-CE1 4.04Å; L763-F811 HydrophobicContact CD1-CD1 4.26Å; L763-F811 HydrophobicContact CD1-CE1 4.26Å; L763-F811 HydrophobicContact CD2-CD1 4.46Å; L777-F811 HydrophobicContact CD1-CE1 4.03Å; L777-F811 HydrophobicContact CD1-CZ 4.19Å; A778-F811 WeakPolarHBondContact O-CE2 3.39Å; F779-F811 HydrophobicContact CD1-CB 4.3Å; F779-F811 HydrophobicContact CD1-CD2 4.14Å; F779-F811 VanDerWaalsContact CE1-CA 3.49Å; F779-F811 HydrophobicContact CE1-CB 3.78Å; F779-F811 HydrophobicContact CE1-CD2 4.46Å; F779-F811 HydrophobicContact CE2-CB 4.44Å; F779-F811 HydrophobicContact CG-CD2 4.23Å; F779-F811 HydrophobicContact CZ-CB 3.86Å; L794-F811 HydrophobicContact CD1-CD2 4Å; L794-F811 HydrophobicContact CD1-CE2 3.74Å; V803-F811 HydrophobicContact CG1-CB 3.9Å; V803-F811 HydrophobicContact CG1-CD1 4.36Å; V803-F811 HydrophobicContact CG1-CG 4.06Å; V803-F811 HydrophobicContact CG2-CB 4.06Å; V803-F811 HydrophobicContact CG2-CD1 4.37Å; V803-F811 HydrophobicContact CG2-CD2 3.46Å; V803-F811 VanDerWaalsContact CG2-CD2 3.46Å; V803-F811 HydrophobicContact CG2-CE2 3.95Å; V803-F811 HydrophobicContact CG2-CG 3.7Å; N807-F811 PolarHBondContact O-N 3.39Å; N807-F811 VanDerWaalsContact O-N 3.15Å; R808-F811 WeakPolarHBondContact O-CB 3.29Å; R808-F811 PolarHBondContact O-N 3.19Å; Q809-F811 VanDerWaalsContact C-N 3.28Å; Q809-F811 PolarHBondContact O-N 3.25Å; F811-L814 PolarHBondContact O-N 3.11Å; F811-Y815 HydrophobicContact CE1-CD2 4.31Å; F811-Y815 HydrophobicContact CZ-CD2 4.01Å; F811-Y815 VanDerWaalsContact O-CB 3.29Å; F811-Y815 WeakPolarHBondContact O-CB 2.98Å; F811-Y815 PolarHBondContact O-N 3.48Å
812V95.6Very high93.2Very high1 Ų148.3 Ų48.31%0.00624%0.235CC..Hα-helixtrans-61.4-46.9177.9174.50000111.1V746 L760 L763 L764 R808 Q809 L814 Y815 V816V746-V812 HydrophobicContact CB-CG1 4.22Å; V746-V812 HydrophobicContact CG2-CG1 4.18Å; L760-V812 HydrophobicContact CB-CG1 4.25Å; L760-V812 HydrophobicContact CB-CG2 4.16Å; L760-V812 HydrophobicContact CD1-CG1 4.47Å; L760-V812 HydrophobicContact CD2-CG2 4.21Å; L763-V812 HydrophobicContact CD2-CG2 3.86Å; L764-V812 HydrophobicContact CD1-CB 4.45Å; L764-V812 HydrophobicContact CD1-CG1 4.21Å; L764-V812 HydrophobicContact CD1-CG2 4.19Å; L764-V812 HydrophobicContact CD2-CB 4.36Å; L764-V812 HydrophobicContact CD2-CG2 3.75Å; L764-V812 HydrophobicContact CG-CG2 3.88Å; R808-V812 WeakPolarHBondContact O-CG2 3.48Å; R808-V812 PolarHBondContact O-N 2.67Å; Q809-V812 PolarHBondContact O-N 2.82Å; V812-L814 VanDerWaalsContact C-N 3.34Å; V812-L814 PolarHBondContact O-N 3.28Å; V812-Y815 WeakPolarHBondContact O-CB 3.42Å; V812-Y815 PolarHBondContact O-N 3.19Å; V812-V816 HydrophobicContact CG1-CG2 4.29Å; V812-V816 WeakPolarHBondContact O-CG2 3.42Å; V812-V816 PolarHBondContact O-N 2.59Å
813D95.3Very high92.9Very high88 Ų8845.9 Ų45.947%0.47122%0.22SC..Hα-helixtrans-60.5-44.1-179.8-65.1-14.9000111.2Q809 D817Q809-D813 PolarHBondContact NE2-OD1 3.24Å; Q809-D813 WeakPolarHBondContact O-CB 3.38Å; Q809-D813 PolarHBondContact O-N 3.26Å; D813-D817 WeakPolarHBondContact O-CB 3.34Å; D813-D817 PolarHBondContact O-N 3.13Å
814L95.5Very high92.6Very high34 Ų3445.8 Ų45.818%0.17822%0.219CC..Hα-helixtrans-68.9-34.4176.9-72.4173000112.9F779 L794 K795 E810 F811 V812 Y818F779-L814 HydrophobicContact CD1-CD1 3.79Å; F779-L814 HydrophobicContact CE1-CD1 3.91Å; L794-L814 HydrophobicContact CB-CB 4.15Å; L794-L814 HydrophobicContact CD1-CB 4.44Å; K795-L814 HydrophobicContact CB-CD1 4.05Å; K795-L814 HydrophobicContact CD-CD1 3.95Å; K795-L814 HydrophobicContact CG-CD1 4.48Å; E810-L814 HydrophobicContact CG-CD1 4.08Å; E810-L814 WeakPolarHBondContact O-CB 3.04Å; E810-L814 VanDerWaalsContact O-CG 3.25Å; E810-L814 WeakPolarHBondContact O-CG 3.24Å; E810-L814 PolarHBondContact O-N 3.34Å; F811-L814 PolarHBondContact O-N 3.11Å; V812-L814 VanDerWaalsContact C-N 3.34Å; V812-L814 PolarHBondContact O-N 3.28Å; L814-Y818 WeakPolarHBondContact O-CB 3.34Å; L814-Y818 PolarHBondContact O-N 2.99Å
815Y95.1Very high92.3Very high33 Ų3346.7 Ų46.713%0.12923%0.227CC..Hα-helixtrans-65-49.1176.1-168.4-73.9000110.8L749 L760 I781 L794 F811 V812 Y818 K819L749-Y815 HydrophobicContact CD2-CD1 3.99Å; L749-Y815 HydrophobicContact CD2-CE1 4.07Å; L760-Y815 HydrophobicContact CD1-CD1 3.63Å; L760-Y815 HydrophobicContact CD1-CE1 4.07Å; L760-Y815 HydrophobicContact CD1-CG 4.15Å; L760-Y815 HydrophobicContact CD2-CD1 4.43Å; L760-Y815 HydrophobicContact CD2-CD2 4.4Å; L760-Y815 HydrophobicContact CD2-CG 4.23Å; I781-Y815 HydrophobicContact CB-CD2 4.47Å; I781-Y815 HydrophobicContact CB-CE2 4.26Å; I781-Y815 HydrophobicContact CD1-CD1 4.32Å; I781-Y815 HydrophobicContact CD1-CD2 3.88Å; I781-Y815 HydrophobicContact CD1-CE1 3.92Å; I781-Y815 HydrophobicContact CD1-CE2 3.45Å; I781-Y815 VanDerWaalsContact CD1-CE2 3.45Å; I781-Y815 HydrophobicContact CD1-CG 4.29Å; I781-Y815 VanDerWaalsContact CD1-CZ 3.46Å; I781-Y815 HydrophobicContact CG1-CD2 4.17Å; I781-Y815 HydrophobicContact CG1-CE2 3.57Å; L794-Y815 HydrophobicContact CD1-CD2 4.36Å; F811-Y815 HydrophobicContact CE1-CD2 4.31Å; F811-Y815 HydrophobicContact CZ-CD2 4.01Å; F811-Y815 VanDerWaalsContact O-CB 3.29Å; F811-Y815 WeakPolarHBondContact O-CB 2.98Å; F811-Y815 PolarHBondContact O-N 3.48Å; V812-Y815 WeakPolarHBondContact O-CB 3.42Å; V812-Y815 PolarHBondContact O-N 3.19Å; Y815-Y818 PolarHBondContact O-N 2.84Å; Y815-K819 HydrophobicContact CD1-CG 4.06Å; Y815-K819 HydrophobicContact CE1-CG 3.77Å; Y815-K819 PolarHBondContact O-N 3.1Å
816V94.6Very high92Very high5 Ų548.2 Ų48.23%0.0324%0.242CC..Hα-helixtrans-62.2-46.7177173.60000110.4V744 V746 L749 L760 V812 Y818 K819 L820V744-V816 HydrophobicContact CG2-CG1 4.18Å; V746-V816 HydrophobicContact CB-CG2 4.34Å; L749-V816 HydrophobicContact CB-CG2 4.4Å; L749-V816 HydrophobicContact CD2-CG2 3.96Å; L760-V816 HydrophobicContact CD1-CG2 4.44Å; V812-V816 HydrophobicContact CG1-CG2 4.29Å; V812-V816 WeakPolarHBondContact O-CG2 3.42Å; V812-V816 PolarHBondContact O-N 2.59Å; V816-Y818 VanDerWaalsContact C-N 3.3Å; V816-Y818 PolarHBondContact O-N 2.82Å; V816-K819 PolarHBondContact O-N 3.5Å; V816-L820 HydrophobicContact CG1-CD1 4.02Å; V816-L820 WeakPolarHBondContact O-CB 3.4Å; V816-L820 PolarHBondContact O-N 2.93Å
817D94.3Very high91.7Very high47 Ų4741.8 Ų41.825%0.25121%0.213SC..Hα-helixtrans-59.5-40.5176.7-18055.9000111.9D813 N821 K822D813-D817 WeakPolarHBondContact O-CB 3.34Å; D813-D817 PolarHBondContact O-N 3.13Å; D817-N821 CarbonylContact O-C 3.3Å; D817-N821 VanDerWaalsContact O-CA 3.27Å; D817-N821 WeakPolarHBondContact O-CA 3.35Å; D817-N821 WeakPolarHBondContact O-CB 3.49Å; D817-N821 PolarHBondContact O-N 2.73Å; D817-N821 WeakPolarHBondContact OD1-CB 3.32Å; D817-N821 PolarHBondContact OD1-ND2 3.37Å; D817-K822 PolarHBondContact O-N 3.43Å; D817-K822 WeakPolarHBondContact OD2-CD 3.47Å; D817-K822 WeakPolarHBondContact OD2-CE 3.34Å; D817-K822 IonicContact OD2-NZ 2.75Å; D817-K822 PolarHBondContact OD2-NZ 3.16Å
818Y92.6Very high91.5Very high34 Ų3441 Ų4113%0.13321%0.208CC..Hα-helixtrans-64.4-50.7176.1179.5-93.2000112.2I781 V783 I792 L794 L814 Y815 V816 K822 S823I781-Y818 HydrophobicContact CD1-CD1 3.79Å; I781-Y818 HydrophobicContact CD1-CE1 4.24Å; I781-Y818 HydrophobicContact CG2-CD1 3.79Å; I781-Y818 HydrophobicContact CG2-CE1 3.84Å; I781-Y818 HydrophobicContact CG2-CG 4.3Å; V783-Y818 HydrophobicContact CG1-CE1 4.1Å; I792-Y818 HydrophobicContact CD1-CE2 4.43Å; I792-Y818 WeakPolarHBondContact CD1-OH 3.28Å; I792-Y818 HydrophobicContact CG2-CE2 4.05Å; L794-Y818 HydrophobicContact CD2-CD2 4.47Å; L794-Y818 HydrophobicContact CD2-CG 3.95Å; L814-Y818 WeakPolarHBondContact O-CB 3.34Å; L814-Y818 PolarHBondContact O-N 2.99Å; Y815-Y818 PolarHBondContact O-N 2.84Å; V816-Y818 VanDerWaalsContact C-N 3.3Å; V816-Y818 PolarHBondContact O-N 2.82Å; Y818-K822 HydrophobicContact CD2-CB 4.16Å; Y818-K822 PolarHBondContact O-N 2.99Å; Y818-S823 WeakPolarHBondContact O-CB 3.43Å; Y818-S823 PolarHBondContact O-N 3Å; Y818-S823 PolarHBondContact O-OG 3.32Å
819K91Very high91.3Very high29 Ų2942.2 Ų42.213%0.12622%0.219CC..Hα-helixtrans-66.5-43.3-176.5-77.8-77.1-170.9132.10113.4L749 E756 I781 Y815 V816 S823L749-K819 HydrophobicContact CD1-CB 4.3Å; E756-K819 IonicContact OE1-NZ 2.74Å; E756-K819 PolarHBondContact OE1-NZ 2.96Å; E756-K819 IonicContact OE2-NZ 2.82Å; E756-K819 PolarHBondContact OE2-NZ 2.9Å; I781-K819 HydrophobicContact CD1-CD 4.13Å; I781-K819 VanDerWaalsContact CD1-CE 3.41Å; I781-K819 HydrophobicContact CD1-CG 3.97Å; Y815-K819 HydrophobicContact CD1-CG 4.06Å; Y815-K819 HydrophobicContact CE1-CG 3.77Å; Y815-K819 PolarHBondContact O-N 3.1Å; V816-K819 PolarHBondContact O-N 3.5Å; K819-S823 PolarHBondContact O-OG 2.9Å; K819-S823 VanDerWaalsContact O-OG 3.06Å
820L93Very high90.8Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-99.3-17.3-173.2-61.9-178000113.6W680 A734 K738 V744 D748 L749 L752 V816 I824W680-L820 HydrophobicContact CZ2-CB 4.46Å; W680-L820 HydrophobicContact CZ2-CD2 3.8Å; A734-L820 HydrophobicContact CB-CD1 4.27Å; K738-L820 WeakPolarHBondContact CE-O 3.45Å; K738-L820 PolarHBondContact NZ-O 2.61Å; V744-L820 HydrophobicContact CB-CB 4.49Å; V744-L820 HydrophobicContact CB-CD1 3.97Å; V744-L820 HydrophobicContact CG1-CD1 4.41Å; V744-L820 HydrophobicContact CG2-CB 3.98Å; V744-L820 HydrophobicContact CG2-CD1 4.2Å; D748-L820 HydrophobicContact CB-CD1 4.1Å; L749-L820 HydrophobicContact CB-CD1 4.2Å; L749-L820 HydrophobicContact CD1-CD2 4.42Å; L752-L820 HydrophobicContact CD2-CD2 3.77Å; V816-L820 HydrophobicContact CG1-CD1 4.02Å; V816-L820 WeakPolarHBondContact O-CB 3.4Å; V816-L820 PolarHBondContact O-N 2.93Å; L820-I824 WeakPolarHBondContact O-CD1 3.3Å
821N91.8Very high90.4Very high46 Ų4634.2 Ų34.225%0.24618%0.183CC..THydrogen-bonded Turntrans-118-73177-55.4-46.3000113K738 D817 S823 I824 S825K738-N821 PolarHBondContact NZ-OD1 3.01Å; D817-N821 CarbonylContact O-C 3.3Å; D817-N821 VanDerWaalsContact O-CA 3.27Å; D817-N821 WeakPolarHBondContact O-CA 3.35Å; D817-N821 WeakPolarHBondContact O-CB 3.49Å; D817-N821 PolarHBondContact O-N 2.73Å; D817-N821 WeakPolarHBondContact OD1-CB 3.32Å; D817-N821 PolarHBondContact OD1-ND2 3.37Å; N821-S823 PolarHBondContact O-N 3.37Å; N821-I824 PolarHBondContact O-N 3.2Å; N821-S825 PolarHBondContact O-N 3.32Å
822K88.7Confident90.2Very high107 Ų10734.9 Ų34.947%0.46519%0.188SC..G310 helixtrans-61.7-41.4-164.7-66173.8168.2134.80113.3D817 Y818 I824D817-K822 PolarHBondContact O-N 3.43Å; D817-K822 WeakPolarHBondContact OD2-CD 3.47Å; D817-K822 WeakPolarHBondContact OD2-CE 3.34Å; D817-K822 IonicContact OD2-NZ 2.75Å; D817-K822 PolarHBondContact OD2-NZ 3.16Å; Y818-K822 HydrophobicContact CD2-CB 4.16Å; Y818-K822 PolarHBondContact O-N 2.99Å; K822-I824 PolarHBondContact O-N 2.94Å
823S85.3Confident89.7Confident25 Ų2539.6 Ų39.618%0.17521%0.213CC..G310 helixtrans-66.9-19-176.559.90000114.1Y818 K819 N821Y818-S823 WeakPolarHBondContact O-CB 3.43Å; Y818-S823 PolarHBondContact O-N 3Å; Y818-S823 PolarHBondContact O-OG 3.32Å; K819-S823 PolarHBondContact O-OG 2.9Å; K819-S823 VanDerWaalsContact O-OG 3.06Å; N821-S823 PolarHBondContact O-N 3.37Å
824I86.9Confident89Confident1 Ų135.4 Ų35.41%0.00519%0.191CC..G310 helixtrans-127.83.8-171.958.983.3000113.5F681 N683 L820 N821 K822 L827 F828F681-I824 HydrophobicContact CB-CB 3.91Å; F681-I824 HydrophobicContact CB-CG2 3.71Å; F681-I824 HydrophobicContact CD2-CD1 4.35Å; F681-I824 HydrophobicContact CG-CB 4.45Å; N683-I824 HydrophobicContact CB-CG2 4.38Å; L820-I824 WeakPolarHBondContact O-CD1 3.3Å; N821-I824 PolarHBondContact O-N 3.2Å; K822-I824 PolarHBondContact O-N 2.94Å; I824-L827 WeakPolarHBondContact O-CB 3.45Å; I824-L827 PolarHBondContact O-N 2.94Å; I824-F828 HydrophobicContact CD1-CB 3.51Å; I824-F828 HydrophobicContact CD1-CG 4.28Å; I824-F828 PolarHBondContact O-N 3.47Å
825S85.3Confident88.5Confident50 Ų5033.9 Ų33.935%0.3518%0.183SC..Hα-helixtrans-46-56-173.7-167.30000114.2N821 L827 F828 D829N821-S825 PolarHBondContact O-N 3.32Å; S825-L827 PolarHBondContact O-N 2.95Å; S825-F828 PolarHBondContact O-N 3.33Å; S825-D829 WeakPolarHBondContact O-CB 3.31Å; S825-D829 PolarHBondContact O-N 3.05Å; S825-D829 VanDerWaalsContact O-OD2 3.1Å; S825-D829 PolarHBondContact OG-OD2 3.48Å
826P81.8Confident88Confident88 Ų8834.9 Ų34.957%0.57119%0.188SC*.Hα-helixtrans-63.9-28-177.425.1-34.7000113.6A830P826-A830 WeakPolarHBondContact O-CB 3.37Å; P826-A830 PolarHBondContact O-N 3.48Å
827L84.4Confident87.1Confident21 Ų2141.6 Ų41.611%0.1121%0.213CC..Hα-helixtrans-78.5-43.3179.8-50.1-179000110.8F681 S682 F710 I824 S825 A830 F831F681-L827 HydrophobicContact CB-CD1 4.41Å; F681-L827 HydrophobicContact CD1-CB 3.87Å; S682-L827 WeakPolarHBondContact O-CD1 3.47Å; F710-L827 WeakPolarHBondContact CB-O 3.5Å; F710-L827 HydrophobicContact CD2-CB 4.04Å; F710-L827 HydrophobicContact CD2-CD2 3.86Å; F710-L827 HydrophobicContact CD2-CG 4.42Å; F710-L827 HydrophobicContact CE2-CB 4.09Å; F710-L827 HydrophobicContact CE2-CD1 4.05Å; F710-L827 HydrophobicContact CE2-CD2 3.66Å; F710-L827 HydrophobicContact CE2-CG 4.13Å; F710-L827 HydrophobicContact CG-CB 4.28Å; F710-L827 HydrophobicContact CZ-CB 4.34Å; F710-L827 HydrophobicContact CZ-CD1 4.09Å; F710-L827 HydrophobicContact CZ-CD2 4.5Å; I824-L827 WeakPolarHBondContact O-CB 3.45Å; I824-L827 PolarHBondContact O-N 2.94Å; S825-L827 PolarHBondContact O-N 2.95Å; L827-A830 PolarHBondContact O-N 2.96Å; L827-F831 PolarHBondContact O-N 3.02Å
828F89.7Confident85.8Confident16 Ų1641.2 Ų41.27%0.0721%0.212CC..Hα-helixtrans-66.3-41.6174.9173-95.3000112.1F681 L735 K738 L739 I824 S825 A830 F831 S832F681-F828 HydrophobicContact CE2-CD2 4.17Å; F681-F828 HydrophobicContact CZ-CB 4.4Å; F681-F828 HydrophobicContact CZ-CD2 4.14Å; L735-F828 HydrophobicContact CD1-CD2 4.1Å; L735-F828 HydrophobicContact CD1-CE2 3.94Å; K738-F828 HydrophobicContact CB-CD2 4.41Å; K738-F828 HydrophobicContact CB-CE1 4.04Å; K738-F828 HydrophobicContact CB-CE2 3.56Å; K738-F828 HydrophobicContact CB-CZ 3.35Å; K738-F828 HydrophobicContact CD-CD2 4.3Å; K738-F828 HydrophobicContact CD-CE2 4.22Å; K738-F828 VanDerWaalsContact CE-CD2 3.43Å; K738-F828 VanDerWaalsContact CE-CG 3.45Å; L739-F828 HydrophobicContact CD2-CE2 4.31Å; L739-F828 HydrophobicContact CD2-CZ 4.23Å; L739-F828 HydrophobicContact CG-CE2 4.41Å; L739-F828 HydrophobicContact CG-CZ 4.46Å; I824-F828 HydrophobicContact CD1-CB 3.51Å; I824-F828 HydrophobicContact CD1-CG 4.28Å; I824-F828 PolarHBondContact O-N 3.47Å; S825-F828 PolarHBondContact O-N 3.33Å; F828-A830 VanDerWaalsContact C-N 3.26Å; F828-A830 PolarHBondContact O-N 3.49Å; F828-F831 PolarHBondContact O-N 3.22Å; F828-S832 VanDerWaalsContact O-CB 3.25Å; F828-S832 WeakPolarHBondContact O-CB 3.47Å; F828-S832 PolarHBondContact O-N 3.34Å
829D89.3Confident84.7Confident78 Ų7840.7 Ų40.742%0.41721%0.211SC..Hα-helixtrans-59.7-42.5177.6-69-28.1000110.3S825 S832 D833S825-D829 WeakPolarHBondContact O-CB 3.31Å; S825-D829 PolarHBondContact O-N 3.05Å; S825-D829 VanDerWaalsContact O-OD2 3.1Å; S825-D829 PolarHBondContact OG-OD2 3.48Å; D829-S832 PolarHBondContact O-N 3.5Å; D829-D833 WeakPolarHBondContact O-CB 3.27Å; D829-D833 VanDerWaalsContact O-CG 3.3Å; D829-D833 PolarHBondContact O-N 3.43Å
830A85.1Confident83.5Confident9 Ų943.5 Ų43.57%0.07423%0.231CC..Hα-helixtrans-63.9-45.4175.200000112.5P707 F710 Q711 P826 L827 F828 D833 G834P707-A830 HydrophobicContact CB-CB 3.86Å; P707-A830 VanDerWaalsContact O-CB 3.23Å; P707-A830 WeakPolarHBondContact O-CB 3.24Å; F710-A830 HydrophobicContact CB-CB 4.19Å; Q711-A830 WeakPolarHBondContact CA-O 3.29Å; Q711-A830 HydrophobicContact CB-CB 4.42Å; Q711-A830 WeakPolarHBondContact CB-O 3.27Å; P826-A830 WeakPolarHBondContact O-CB 3.37Å; P826-A830 PolarHBondContact O-N 3.48Å; L827-A830 PolarHBondContact O-N 2.96Å; F828-A830 VanDerWaalsContact C-N 3.26Å; F828-A830 PolarHBondContact O-N 3.49Å; A830-D833 PolarHBondContact O-N 3.2Å; A830-G834 PolarHBondContact O-N 3.1Å
831F88.2Confident81.9Confident1 Ų146 Ų460%0.00425%0.249CC..Hα-helixtrans-58.7-46.8173.7175.5-87.2000112.4F681 F710 V713 G714 C717 L735 L739 L827 F828 G834 F835F681-F831 HydrophobicContact CE1-CB 3.9Å; F681-F831 HydrophobicContact CE1-CG 4.27Å; F681-F831 HydrophobicContact CZ-CB 4.01Å; F681-F831 HydrophobicContact CZ-CD1 4.32Å; F681-F831 HydrophobicContact CZ-CD2 4.44Å; F681-F831 HydrophobicContact CZ-CG 4.01Å; F710-F831 HydrophobicContact CB-CB 4.29Å; F710-F831 WeakPolarHBondContact O-CA 3.36Å; V713-F831 HydrophobicContact CB-CD2 4.15Å; V713-F831 HydrophobicContact CB-CE2 4.27Å; V713-F831 HydrophobicContact CG1-CD2 4.23Å; V713-F831 HydrophobicContact CG1-CE2 3.89Å; G714-F831 WeakPolarHBondContact CA-O 3.37Å; C717-F831 HydrophobicContact CB-CZ 4.42Å; L735-F831 HydrophobicContact CD1-CD1 4.19Å; L735-F831 HydrophobicContact CD1-CE1 3.88Å; L735-F831 HydrophobicContact CD1-CZ 4.48Å; L735-F831 HydrophobicContact CD2-CE1 4.07Å; L735-F831 HydrophobicContact CD2-CZ 4.01Å; L735-F831 HydrophobicContact CG-CE1 4.32Å; L739-F831 HydrophobicContact CD1-CE1 4.26Å; L739-F831 HydrophobicContact CD2-CD1 4.4Å; L739-F831 HydrophobicContact CD2-CE1 4.23Å; L827-F831 PolarHBondContact O-N 3.02Å; F828-F831 PolarHBondContact O-N 3.22Å; F831-G834 PolarHBondContact O-N 3.28Å; F831-G834 VanDerWaalsContact O-N 3.16Å; F831-F835 WeakPolarHBondContact O-CB 3.07Å; F831-F835 PolarHBondContact O-N 3.17Å
832S90.1Very high80.4Confident20 Ų2050.3 Ų50.314%0.1427%0.267CS..Hα-helixtrans-60.9-45.8178.8-175.20000111.2F828 D829 G834 F835 F836F828-S832 VanDerWaalsContact O-CB 3.25Å; F828-S832 WeakPolarHBondContact O-CB 3.47Å; F828-S832 PolarHBondContact O-N 3.34Å; D829-S832 PolarHBondContact O-N 3.5Å; S832-G834 VanDerWaalsContact C-N 3.26Å; S832-G834 PolarHBondContact O-N 3.12Å; S832-F835 PolarHBondContact O-N 2.95Å; S832-F836 VanDerWaalsContact O-CD2 3.26Å; S832-F836 WeakPolarHBondContact O-CD2 3.44Å; S832-F836 PolarHBondContact O-N 3.21Å
833D85Confident79.1Confident100 Ų10050 Ų5054%0.53527%0.27SS..Hα-helixtrans-58.1-40.1174.6-80.1-9.3000111.7D829 A830 R837D829-D833 WeakPolarHBondContact O-CB 3.27Å; D829-D833 VanDerWaalsContact O-CG 3.3Å; D829-D833 PolarHBondContact O-N 3.43Å; A830-D833 PolarHBondContact O-N 3.2Å; D833-R837 WeakPolarHBondContact O-CB 3.12Å; D833-R837 PolarHBondContact O-N 3.04Å; D833-R837 VanDerWaalsContact O-N 3.12Å
834G81.7Confident78.3Confident0 Ų049.1 Ų49.10%026%0.264CS..Hα-helixtrans-65.2-47.1174.700000113.1Q711 I715 A830 F831 S832 R837Q711-G834 VanDerWaalsContact O-CA 3.3Å; Q711-G834 WeakPolarHBondContact O-CA 3.48Å; I715-G834 WeakPolarHBondContact CA-O 3.38Å; I715-G834 WeakPolarHBondContact CG1-O 3.3Å; I715-G834 PolarHBondContact N-O 2.95Å; A830-G834 PolarHBondContact O-N 3.1Å; F831-G834 PolarHBondContact O-N 3.28Å; F831-G834 VanDerWaalsContact O-N 3.16Å; S832-G834 VanDerWaalsContact C-N 3.26Å; S832-G834 PolarHBondContact O-N 3.12Å; G834-R837 WeakPolarHBondContact O-CB 3.13Å; G834-R837 PolarHBondContact O-N 3.01Å
835F84.4Confident77.5Confident2 Ų256.3 Ų56.31%0.00930%0.295CS..Hα-helixtrans-59.6-49.3179.9-173.1-92.8000111.9G714 C717 I721 L739 F831 S832 R837 V838 L839 V844 L852 V856G714-F835 VanDerWaalsContact C-N 3.31Å; G714-F835 VanDerWaalsContact O-CA 3.22Å; G714-F835 WeakPolarHBondContact O-CA 3.27Å; G714-F835 PolarHBondContact O-N 3.13Å; C717-F835 HydrophobicContact CB-CD2 3.79Å; C717-F835 HydrophobicContact CB-CE2 4.04Å; I721-F835 HydrophobicContact CD1-CE2 3.75Å; I721-F835 HydrophobicContact CD1-CZ 3.58Å; L739-F835 HydrophobicContact CD1-CD1 4.17Å; L739-F835 HydrophobicContact CD1-CD2 4.33Å; L739-F835 HydrophobicContact CD1-CE1 4.02Å; L739-F835 HydrophobicContact CD1-CE2 4.18Å; L739-F835 HydrophobicContact CD1-CG 4.32Å; L739-F835 HydrophobicContact CD1-CZ 4.02Å; L739-F835 HydrophobicContact CD2-CB 4.34Å; L739-F835 HydrophobicContact CD2-CD1 4.03Å; L739-F835 HydrophobicContact CD2-CG 4.2Å; F831-F835 WeakPolarHBondContact O-CB 3.07Å; F831-F835 PolarHBondContact O-N 3.17Å; S832-F835 PolarHBondContact O-N 2.95Å; F835-R837 VanDerWaalsContact C-N 3.27Å; F835-R837 PolarHBondContact O-N 2.91Å; F835-V838 PolarHBondContact O-N 3.17Å; F835-L839 HydrophobicContact CD1-CD1 4.23Å; F835-L839 HydrophobicContact CE1-CD1 3.61Å; F835-L839 HydrophobicContact CE2-CD1 3.98Å; F835-L839 HydrophobicContact CZ-CD1 3.46Å; F835-L839 VanDerWaalsContact CZ-CD1 3.46Å; F835-L839 PolarHBondContact O-N 2.94Å; F835-V844 HydrophobicContact CE1-CG1 4.46Å; F835-L852 HydrophobicContact CZ-CD1 4.31Å; F835-V856 HydrophobicContact CE2-CG2 4.45Å
836F84.4Confident77Confident54 Ų5460.1 Ų60.124%0.23731%0.306CS..Hα-helixtrans-79.1-4.9179.8-69.8-64.4000114.3L739 S832 V838 L839 V844L739-F836 HydrophobicContact CB-CZ 4.39Å; L739-F836 HydrophobicContact CD2-CE2 3.89Å; L739-F836 HydrophobicContact CD2-CZ 4.42Å; L739-F836 WeakPolarHBondContact O-CZ 3.31Å; S832-F836 VanDerWaalsContact O-CD2 3.26Å; S832-F836 WeakPolarHBondContact O-CD2 3.44Å; S832-F836 PolarHBondContact O-N 3.21Å; F836-V838 VanDerWaalsContact C-N 3.29Å; F836-L839 CarbonylContact C-O 3.59Å; F836-L839 WeakPolarHBondContact CA-O 3.46Å; F836-V844 HydrophobicContact CD1-CG2 4.49Å; F836-V844 HydrophobicContact CE1-CB 3.9Å; F836-V844 HydrophobicContact CE1-CG1 3.95Å; F836-V844 HydrophobicContact CE1-CG2 3.92Å; F836-V844 HydrophobicContact CZ-CG1 4.28Å
837R76.5Confident76.7Confident145 Ų14559.2 Ų59.255%0.54729%0.293SS..Hα-helixtrans-70.6-29.4169.4-170.3167.8179160.8-3112D833 G834 F835D833-R837 WeakPolarHBondContact O-CB 3.12Å; D833-R837 PolarHBondContact O-N 3.04Å; D833-R837 VanDerWaalsContact O-N 3.12Å; G834-R837 WeakPolarHBondContact O-CB 3.13Å; G834-R837 PolarHBondContact O-N 3.01Å; F835-R837 VanDerWaalsContact C-N 3.27Å; F835-R837 PolarHBondContact O-N 2.91Å
838V67.6Low76.7Confident40 Ų4063.2 Ų63.224%0.24231%0.311CS..Hα-helixtrans-96.6-47.6178.2-173.90000110.9I715 G718 L719 Y722 F835 F836I715-V838 HydrophobicContact CB-CG2 4.47Å; I715-V838 HydrophobicContact CG2-CG2 3.95Å; G718-V838 VanDerWaalsContact C-CG1 3.49Å; G718-V838 WeakPolarHBondContact O-CG1 3.36Å; L719-V838 HydrophobicContact CD2-CG1 3.94Å; L719-V838 HydrophobicContact CD2-CG2 4.29Å; L719-V838 HydrophobicContact CG-CG1 4.26Å; L719-V838 HydrophobicContact CG-CG2 4.02Å; Y722-V838 HydrophobicContact CG-CG1 4.47Å; F835-V838 PolarHBondContact O-N 3.17Å; F836-V838 VanDerWaalsContact C-N 3.29Å
839L68.9Low76.6Confident22 Ų2262.5 Ų62.512%0.11531%0.308CS..SBendtrans-93.4127-177.8-64170.2000110.6I721 F835 F836 S841 V844I721-L839 HydrophobicContact CB-CD1 3.99Å; I721-L839 HydrophobicContact CB-CD2 4.14Å; I721-L839 HydrophobicContact CD1-CD1 3.42Å; I721-L839 VanDerWaalsContact CD1-CD1 3.42Å; I721-L839 HydrophobicContact CG1-CD1 4.28Å; I721-L839 HydrophobicContact CG2-CD1 4.11Å; I721-L839 HydrophobicContact CG2-CD2 3.8Å; F835-L839 HydrophobicContact CD1-CD1 4.23Å; F835-L839 HydrophobicContact CE1-CD1 3.61Å; F835-L839 HydrophobicContact CE2-CD1 3.98Å; F835-L839 HydrophobicContact CZ-CD1 3.46Å; F835-L839 VanDerWaalsContact CZ-CD1 3.46Å; F835-L839 PolarHBondContact O-N 2.94Å; F836-L839 CarbonylContact C-O 3.59Å; F836-L839 WeakPolarHBondContact CA-O 3.46Å; L839-S841 PolarHBondContact O-N 2.8Å; L839-V844 HydrophobicContact CB-CG2 4.05Å
840T65.1Low76.4Confident89 Ų8962.9 Ų62.955%0.54631%0.307SS..  trans-67.9125178.3450000110.6H842 L843T840-H842 PolarHBondContact O-N 3.09Å; T840-L843 PolarHBondContact O-N 2.85Å; T840-L843 VanDerWaalsContact O-N 3.1Å
841S60.5Low76.3Confident53 Ų5366.8 Ų66.837%0.37132%0.324SS..THydrogen-bonded Turntrans-56.3-11-176.964.80000115.9L839 K845L839-S841 PolarHBondContact O-N 2.8Å; S841-K845 WeakPolarHBondContact O-CE 3.44Å; S841-K845 WeakPolarHBondContact O-CG 3.28Å
842H60.1Low76.2Confident136 Ų13666.9 Ų66.963%0.6332%0.324SS*.THydrogen-bonded Turntrans-88.3-30.6-179.7-67.163.7000113T840 F846T840-H842 PolarHBondContact O-N 3.09Å; H842-F846 WeakPolarHBondContact O-CE2 3.15Å
843L60.3Low76Confident99 Ų9967.1 Ų67.152%0.51832%0.323SS..THydrogen-bonded Turntrans-79.4-38.3179.1-68.5175.2000111.3T840 K845 F846T840-L843 PolarHBondContact O-N 2.85Å; T840-L843 VanDerWaalsContact O-N 3.1Å; L843-K845 PolarHBondContact O-N 2.83Å; L843-F846 PolarHBondContact O-N 3.04Å
844V68.6Low75.9Confident8 Ų865.4 Ų65.45%0.04831%0.312CS..G310 helixtrans-62.5-30.3-176.7-177.30000111.9L740 F835 F836 L839 F846 F847 L852L740-V844 HydrophobicContact CD2-CG1 3.85Å; L740-V844 WeakPolarHBondContact CD2-O 3.35Å; F835-V844 HydrophobicContact CE1-CG1 4.46Å; F836-V844 HydrophobicContact CD1-CG2 4.49Å; F836-V844 HydrophobicContact CE1-CB 3.9Å; F836-V844 HydrophobicContact CE1-CG1 3.95Å; F836-V844 HydrophobicContact CE1-CG2 3.92Å; F836-V844 HydrophobicContact CZ-CG1 4.28Å; L839-V844 HydrophobicContact CB-CG2 4.05Å; V844-F846 PolarHBondContact O-N 2.8Å; V844-F846 VanDerWaalsContact O-N 3.09Å; V844-F847 PolarHBondContact O-N 2.87Å; V844-F847 VanDerWaalsContact O-N 3.17Å; V844-L852 HydrophobicContact CG1-CD1 4.04Å; V844-L852 HydrophobicContact CG1-CD2 3.84Å
845K71.3Confident75.8Confident151 Ų15166.5 Ų66.566%0.65732%0.318SS*.G310 helixtrans-63.7-13.8179.7-70.2175.8-176.9-175.70115.5S841 L843S841-K845 WeakPolarHBondContact O-CE 3.44Å; S841-K845 WeakPolarHBondContact O-CG 3.28Å; L843-K845 PolarHBondContact O-N 2.83Å
846F73.3Confident75.6Confident131 Ų13166.5 Ų66.558%0.57532%0.318SS*.G310 helixtrans-86.1-14.6178.7-68.9-75.6000113H842 L843 V844H842-F846 WeakPolarHBondContact O-CE2 3.15Å; L843-F846 PolarHBondContact O-N 3.04Å; V844-F846 PolarHBondContact O-N 2.8Å; V844-F846 VanDerWaalsContact O-N 3.09Å
847F75.9Confident75.4Confident69 Ų6964.7 Ų64.730%0.30331%0.311SS..SBendtrans-83.5141.7-178.6-68.3-83000110.9L740 V844 E851 L852 L855L740-F847 WeakPolarHBondContact CD1-O 3.41Å; V844-F847 PolarHBondContact O-N 2.87Å; V844-F847 VanDerWaalsContact O-N 3.17Å; F847-E851 WeakPolarHBondContact CA-OE2 3.44Å; F847-E851 HydrophobicContact CB-CB 4.4Å; F847-E851 HydrophobicContact CD1-CB 3.89Å; F847-L852 HydrophobicContact CB-CB 4.15Å; F847-L855 HydrophobicContact CD1-CD1 3.68Å; F847-L855 HydrophobicContact CD2-CD1 4.42Å; F847-L855 HydrophobicContact CE1-CD1 3.28Å; F847-L855 HydrophobicContact CE1-CG 4.35Å; F847-L855 HydrophobicContact CE2-CD1 4.08Å; F847-L855 HydrophobicContact CG-CD1 4.23Å; F847-L855 HydrophobicContact CZ-CD1 3.5Å; F847-L855 VanDerWaalsContact CZ-CD1 3.5Å
848Q84.3Confident75.7Confident105 Ų10557.8 Ų57.849%0.49129%0.286SS..  trans-70.6155.1158.1-59.1-57.3-66.100109.8E850 E851 L852Q848-E850 PolarHBondContact O-N 2.82Å; Q848-E851 HydrophobicContact CB-CG 4.1Å; Q848-E851 PolarHBondContact N-OE2 2.85Å; Q848-E851 PolarHBondContact O-N 3.08Å; Q848-E851 VanDerWaalsContact O-N 3.11Å; Q848-L852 PolarHBondContact O-N 2.98Å
849P87.8Confident76.4Confident0 Ų056.1 Ų56.10%028%0.275CS..Hα-helixtrans-53.4-39178.8-26.734.4000113.7L733 Y736 R737 L740 E742 L852 M853L733-P849 HydrophobicContact CD1-CB 3.79Å; L733-P849 HydrophobicContact CG-CB 4.17Å; Y736-P849 WeakPolarHBondContact CB-O 3.33Å; R737-P849 HydrophobicContact CG-CB 3.79Å; R737-P849 HydrophobicContact CG-CG 3.7Å; L740-P849 HydrophobicContact CD1-CB 4.22Å; L740-P849 HydrophobicContact CD1-CG 3.83Å; E742-P849 WeakPolarHBondContact OE2-CG 3.13Å; P849-L852 PolarHBondContact O-N 2.85Å; P849-M853 WeakPolarHBondContact O-CB 3.37Å; P849-M853 PolarHBondContact O-N 3.22Å
850E86.2Confident77.2Confident86 Ų8658.9 Ų58.940%0.40229%0.287SS..Hα-helixtrans-67.1-42.5179.3-60.176.3-169.200110.8L733 R737 Q848 L852 M853 E854L733-E850 HydrophobicContact CD1-CG 4.02Å; L733-E850 HydrophobicContact CD2-CG 4.24Å; L733-E850 WeakPolarHBondContact CD2-OE1 3.37Å; R737-E850 IonicContact NH2-OE1 2.8Å; R737-E850 PolarHBondContact NH2-OE1 2.86Å; Q848-E850 PolarHBondContact O-N 2.82Å; E850-L852 PolarHBondContact O-N 3.28Å; E850-M853 WeakPolarHBondContact O-CB 3.43Å; E850-M853 PolarHBondContact O-N 3.14Å; E850-E854 WeakPolarHBondContact O-CG 3.5Å; E850-E854 PolarHBondContact O-N 2.77Å
851E82.9Confident78Confident92 Ų9260.9 Ų60.943%0.4329%0.29SS..Hα-helixtrans-66.7-38.1177.3-59.9173.914700111.7F847 Q848 E854 L855F847-E851 WeakPolarHBondContact CA-OE2 3.44Å; F847-E851 HydrophobicContact CB-CB 4.4Å; F847-E851 HydrophobicContact CD1-CB 3.89Å; Q848-E851 HydrophobicContact CB-CG 4.1Å; Q848-E851 PolarHBondContact N-OE2 2.85Å; Q848-E851 PolarHBondContact O-N 3.08Å; Q848-E851 VanDerWaalsContact O-N 3.11Å; E851-E854 PolarHBondContact O-N 3.27Å; E851-L855 PolarHBondContact O-N 2.86Å
852L85.2Confident79.2Confident3 Ų360 Ų602%0.01628%0.279CS..Hα-helixtrans-68.2-36.6175.7-172.362.6000111.6I721 Y736 L739 L740 F835 V844 F847 Q848 P849 E850 L855 V856I721-L852 HydrophobicContact CD1-CD1 4.41Å; Y736-L852 HydrophobicContact CD1-CB 4.3Å; Y736-L852 HydrophobicContact CD1-CD2 4.13Å; Y736-L852 HydrophobicContact CD1-CG 3.91Å; L739-L852 HydrophobicContact CB-CD2 4.33Å; L739-L852 HydrophobicContact CD1-CD2 4.37Å; L740-L852 HydrophobicContact CD1-CD2 4.32Å; L740-L852 HydrophobicContact CD2-CD2 4.23Å; L740-L852 HydrophobicContact CG-CD2 4.06Å; F835-L852 HydrophobicContact CZ-CD1 4.31Å; V844-L852 HydrophobicContact CG1-CD1 4.04Å; V844-L852 HydrophobicContact CG1-CD2 3.84Å; F847-L852 HydrophobicContact CB-CB 4.15Å; Q848-L852 PolarHBondContact O-N 2.98Å; P849-L852 PolarHBondContact O-N 2.85Å; E850-L852 PolarHBondContact O-N 3.28Å; L852-L855 HydrophobicContact CD1-CD1 4.33Å; L852-L855 WeakPolarHBondContact O-CB 3.4Å; L852-L855 PolarHBondContact O-N 3.41Å; L852-V856 PolarHBondContact O-N 2.87Å
853M86.8Confident80.4Confident25 Ų2556.8 Ų56.812%0.12327%0.267CS..Hα-helixtrans-63.1-45.5172.2-179.5173.4179.800111.4L733 Y736 P849 E850 L855 V856 V857L733-M853 HydrophobicContact CD1-CB 4.47Å; L733-M853 HydrophobicContact CD1-SD 4.23Å; Y736-M853 HydrophobicContact CD1-CB 4.31Å; Y736-M853 HydrophobicContact CD2-CB 3.58Å; Y736-M853 HydrophobicContact CD2-CG 3.9Å; Y736-M853 HydrophobicContact CD2-SD 4.25Å; Y736-M853 HydrophobicContact CE1-CB 4.3Å; Y736-M853 HydrophobicContact CE2-CB 3.57Å; Y736-M853 HydrophobicContact CE2-CG 3.43Å; Y736-M853 VanDerWaalsContact CE2-CG 3.43Å; Y736-M853 HydrophobicContact CE2-SD 3.99Å; Y736-M853 HydrophobicContact CG-CB 3.95Å; P849-M853 WeakPolarHBondContact O-CB 3.37Å; P849-M853 PolarHBondContact O-N 3.22Å; E850-M853 WeakPolarHBondContact O-CB 3.43Å; E850-M853 PolarHBondContact O-N 3.14Å; M853-L855 VanDerWaalsContact C-N 3.26Å; M853-L855 PolarHBondContact O-N 3.35Å; M853-V856 PolarHBondContact O-N 3.49Å; M853-V856 VanDerWaalsContact O-N 3.12Å; M853-V857 HydrophobicContact CG-CG2 4.29Å; M853-V857 PolarHBondContact O-N 3.29Å
854E81.7Confident81.7Confident64 Ų6453.1 Ų53.130%0.29925%0.246SC..Hα-helixtrans-62.8-32.1176.7-73.6-168.817500112.6E850 E851 V856 G858 N859 H861E850-E854 WeakPolarHBondContact O-CG 3.5Å; E850-E854 PolarHBondContact O-N 2.77Å; E851-E854 PolarHBondContact O-N 3.27Å; E854-V856 VanDerWaalsContact C-N 3.34Å; E854-G858 CarbonylContact O-C 3.5Å; E854-G858 WeakPolarHBondContact O-CA 2.98Å; E854-G858 PolarHBondContact O-N 3.17Å; E854-N859 HydrophobicContact CB-CB 4.35Å; E854-N859 HydrophobicContact CG-CB 3.89Å; E854-H861 IonicContact OE1-CE1 2.67Å; E854-H861 IonicContact OE1-ND1 3.3Å
855L80.2Confident82.4Confident23 Ų2360.6 Ų60.612%0.1227%0.274CS..Hα-helixtrans-65-35.1173.1-85.8169000113.4I721 F847 E851 L852 M853 F930I721-L855 HydrophobicContact CG1-CB 4.42Å; F847-L855 HydrophobicContact CD1-CD1 3.68Å; F847-L855 HydrophobicContact CD2-CD1 4.42Å; F847-L855 HydrophobicContact CE1-CD1 3.28Å; F847-L855 HydrophobicContact CE1-CG 4.35Å; F847-L855 HydrophobicContact CE2-CD1 4.08Å; F847-L855 HydrophobicContact CG-CD1 4.23Å; F847-L855 HydrophobicContact CZ-CD1 3.5Å; F847-L855 VanDerWaalsContact CZ-CD1 3.5Å; E851-L855 PolarHBondContact O-N 2.86Å; L852-L855 HydrophobicContact CD1-CD1 4.33Å; L852-L855 WeakPolarHBondContact O-CB 3.4Å; L852-L855 PolarHBondContact O-N 3.41Å; M853-L855 VanDerWaalsContact C-N 3.26Å; M853-L855 PolarHBondContact O-N 3.35Å; L855-F930 HydrophobicContact CD2-CB 4.3Å; L855-F930 HydrophobicContact CD2-CD1 3.39Å; L855-F930 HydrophobicContact CD2-CD2 4.35Å; L855-F930 HydrophobicContact CD2-CE1 3.66Å; L855-F930 HydrophobicContact CD2-CG 3.76Å; L855-F930 HydrophobicContact CD2-CZ 4.25Å
856V80.2Confident82.9Confident2 Ų255.8 Ų55.81%0.01225%0.254CS..Hα-helixtrans-85-50.3-179.7177.50000111.4I721 I726 V727 Y736 F835 L852 M853 E854I721-V856 HydrophobicContact CD1-CG2 3.43Å; I721-V856 VanDerWaalsContact CD1-CG2 3.43Å; I721-V856 HydrophobicContact CG1-CG2 3.81Å; I726-V856 CarbonylContact C-O 3.41Å; I726-V856 WeakPolarHBondContact CA-O 3.4Å; V727-V856 PolarHBondContact N-O 3.07Å; Y736-V856 HydrophobicContact CE1-CB 4.07Å; Y736-V856 HydrophobicContact CE1-CG2 3.82Å; F835-V856 HydrophobicContact CE2-CG2 4.45Å; L852-V856 PolarHBondContact O-N 2.87Å; M853-V856 PolarHBondContact O-N 3.49Å; M853-V856 VanDerWaalsContact O-N 3.12Å; E854-V856 VanDerWaalsContact C-N 3.34Å
857V80.4Confident83.4Confident15 Ų1549.6 Ų49.69%0.09123%0.227CC..Hα-helixtrans-96-17.5-168.2-171.50000112Y736 M853 R927Y736-V857 WeakPolarHBondContact OH-CG2 3.43Å; M853-V857 HydrophobicContact CG-CG2 4.29Å; M853-V857 PolarHBondContact O-N 3.29Å; V857-R927 WeakPolarHBondContact O-CB 3.12Å
858G83.2Confident83.9Confident1 Ų148.5 Ų48.51%0.0122%0.223CC..  trans83.3171.6-168.100000112.4E854 I928E854-G858 CarbonylContact O-C 3.5Å; E854-G858 WeakPolarHBondContact O-CA 2.98Å; E854-G858 PolarHBondContact O-N 3.17Å; G858-I928 CarbonylContact C-O 3.49Å; G858-I928 WeakPolarHBondContact CA-O 3.38Å
859N82.5Confident83.4Confident5 Ų547.9 Ų47.93%0.02722%0.219CC..BIsolated β-bridgetrans-114.6177.518071.451.3000112.1E854 H861 R927 I928 F930E854-N859 HydrophobicContact CB-CB 4.35Å; E854-N859 HydrophobicContact CG-CB 3.89Å; N859-H861 WeakPolarHBondContact OD1-CB 3.48Å; N859-H861 PolarHBondContact OD1-N 2.93Å; N859-R927 WeakPolarHBondContact O-CD 3.48Å; N859-I928 PolarHBondContact N-O 3.21Å; N859-I928 PolarHBondContact O-N 2.87Å; N859-I928 VanDerWaalsContact O-N 3.12Å; N859-I928 WeakPolarHBondContact OD1-CD1 3.33Å; N859-I928 WeakPolarHBondContact OD1-CG1 3.36Å; N859-F930 PolarHBondContact ND2-O 3.02Å
860E84.4Confident82Confident79 Ų7948.1 Ų48.137%0.36922%0.22SC..  trans-111.722.9178.1-61-158.6-173.100113Y862 K916 R927E860-Y862 VanDerWaalsContact C-N 3.31Å; E860-Y862 HydrophobicContact CB-CE2 3.66Å; E860-Y862 HydrophobicContact CG-CE2 4.37Å; E860-Y862 WeakPolarHBondContact CG-OH 3.38Å; E860-Y862 WeakPolarHBondContact O-CD2 3.45Å; E860-Y862 WeakPolarHBondContact O-CE2 3.17Å; E860-Y862 PolarHBondContact O-N 2.85Å; E860-Y862 VanDerWaalsContact O-N 3.08Å; E860-K916 IonicContact OE2-NZ 2.98Å; E860-K916 PolarHBondContact OE2-NZ 2.79Å; E860-R927 IonicContact OE1-CZ 3.4Å; E860-R927 IonicContact OE1-NE 3.13Å; E860-R927 PolarHBondContact OE1-NE 3.18Å; E860-R927 IonicContact OE1-NH1 2.58Å; E860-R927 IonicContact OE1-NH2 3.96Å; E860-R927 PolarHBondContact OE1-NH2 3.47Å
861H81.7Confident80.2Confident131 Ų13146.5 Ų46.561%0.60621%0.214SC*.  trans-87.665-176.7-61.7110.1000111.5E854 N859 D863 I928E854-H861 IonicContact OE1-CE1 2.67Å; E854-H861 IonicContact OE1-ND1 3.3Å; N859-H861 WeakPolarHBondContact OD1-CB 3.48Å; N859-H861 PolarHBondContact OD1-N 2.93Å; H861-D863 PolarHBondContact O-N 2.83Å; H861-I928 VanDerWaalsContact O-CD1 3.23Å; H861-I928 WeakPolarHBondContact O-CD1 3.44Å
862Y85.7Confident78.3Confident35 Ų3547.3 Ų47.314%0.13722%0.218CC..  trans-70.6127.7-173.3-45.4-81.9000113.4E860 W864 K916 L919 D926 I928E860-Y862 VanDerWaalsContact C-N 3.31Å; E860-Y862 HydrophobicContact CB-CE2 3.66Å; E860-Y862 HydrophobicContact CG-CE2 4.37Å; E860-Y862 WeakPolarHBondContact CG-OH 3.38Å; E860-Y862 WeakPolarHBondContact O-CD2 3.45Å; E860-Y862 WeakPolarHBondContact O-CE2 3.17Å; E860-Y862 PolarHBondContact O-N 2.85Å; E860-Y862 VanDerWaalsContact O-N 3.08Å; Y862-W864 VanDerWaalsContact CB-CE2 3.48Å; Y862-W864 AromaticContact CD1-CH2 3.6Å; Y862-W864 HydrophobicContact CD1-CH2 3.6Å; Y862-W864 AromaticContact CD1-CZ2 3.61Å; Y862-W864 HydrophobicContact CD1-CZ2 3.61Å; Y862-W864 HydrophobicContact CD1-CZ3 4.37Å; Y862-W864 AromaticContact CD2-CZ2 4Å; Y862-W864 HydrophobicContact CD2-CZ2 4Å; Y862-W864 HydrophobicContact CE1-CH2 4.19Å; Y862-W864 HydrophobicContact CE1-CZ2 4.32Å; Y862-W864 AromaticContact CG-CE2 3.89Å; Y862-W864 AromaticContact CG-CH2 3.94Å; Y862-W864 HydrophobicContact CG-CH2 3.94Å; Y862-W864 AromaticContact CG-CZ2 3.43Å; Y862-W864 HydrophobicContact CG-CZ2 3.43Å; Y862-W864 VanDerWaalsContact CG-CZ2 3.43Å; Y862-K916 HydrophobicContact CE2-CD 4.31Å; Y862-K916 HydrophobicContact CE2-CG 4.22Å; Y862-K916 WeakPolarHBondContact OH-CE 3.05Å; Y862-L919 HydrophobicContact CE1-CD2 4.19Å; Y862-D926 VanDerWaalsContact CE1-O 3.28Å; Y862-D926 WeakPolarHBondContact CE1-O 3.44Å; Y862-D926 PolarHBondContact OH-O 2.96Å; Y862-I928 HydrophobicContact CD1-CG2 3.76Å; Y862-I928 HydrophobicContact CE1-CG2 3.87Å
863D85.9Confident76.2Confident68 Ų6851 Ų5136%0.36425%0.248SC..  trans-110.290.3161.6-174.2-14.3000109.7H861 Y865 E866 F867 M933H861-D863 PolarHBondContact O-N 2.83Å; D863-Y865 PolarHBondContact O-N 2.89Å; D863-Y865 PolarHBondContact OD1-N 3.01Å; D863-E866 HydrophobicContact CB-CB 3.87Å; D863-E866 VanDerWaalsContact CG-CB 3.5Å; D863-E866 WeakPolarHBondContact O-CB 3.42Å; D863-E866 PolarHBondContact O-N 2.9Å; D863-E866 PolarHBondContact OD1-N 2.95Å; D863-F867 PolarHBondContact O-N 3.12Å; D863-M933 WeakPolarHBondContact O-CG 3.4Å
864W87.8Confident73.9Confident22 Ų2252.1 Ų52.18%0.08326%0.262CS..Hα-helixtrans-66.1-21.9-178.4-57.7115.4000113.7Y862 F867 F907 K915 M933Y862-W864 VanDerWaalsContact CB-CE2 3.48Å; Y862-W864 AromaticContact CD1-CH2 3.6Å; Y862-W864 HydrophobicContact CD1-CH2 3.6Å; Y862-W864 AromaticContact CD1-CZ2 3.61Å; Y862-W864 HydrophobicContact CD1-CZ2 3.61Å; Y862-W864 HydrophobicContact CD1-CZ3 4.37Å; Y862-W864 AromaticContact CD2-CZ2 4Å; Y862-W864 HydrophobicContact CD2-CZ2 4Å; Y862-W864 HydrophobicContact CE1-CH2 4.19Å; Y862-W864 HydrophobicContact CE1-CZ2 4.32Å; Y862-W864 AromaticContact CG-CE2 3.89Å; Y862-W864 AromaticContact CG-CH2 3.94Å; Y862-W864 HydrophobicContact CG-CH2 3.94Å; Y862-W864 AromaticContact CG-CZ2 3.43Å; Y862-W864 HydrophobicContact CG-CZ2 3.43Å; Y862-W864 VanDerWaalsContact CG-CZ2 3.43Å; W864-F867 WeakPolarHBondContact O-CB 3.32Å; W864-F907 HydrophobicContact CB-CE1 4.3Å; W864-F907 HydrophobicContact CD2-CZ 4.41Å; W864-F907 HydrophobicContact CE3-CE1 4.18Å; W864-F907 AromaticContact CE3-CZ 3.68Å; W864-F907 HydrophobicContact CE3-CZ 3.68Å; W864-F907 HydrophobicContact CZ3-CZ 4.13Å; W864-K915 HydrophobicContact CB-CD 4.5Å; W864-K915 HydrophobicContact CD2-CB 4.11Å; W864-K915 HydrophobicContact CD2-CD 3.79Å; W864-K915 HydrophobicContact CD2-CG 4.48Å; W864-K915 HydrophobicContact CE3-CB 4.22Å; W864-K915 HydrophobicContact CE3-CD 4.42Å; W864-K915 HydrophobicContact CG-CD 3.8Å; W864-K915 HydrophobicContact CH2-CB 3.67Å; W864-K915 HydrophobicContact CZ2-CB 3.53Å; W864-K915 HydrophobicContact CZ3-CB 4Å; W864-M933 HydrophobicContact CE3-CE 3.8Å; W864-M933 HydrophobicContact CZ3-CE 3.55Å
865Y84.2Confident71.9Confident165 Ų16554.4 Ų54.465%0.64728%0.28SS*.Hα-helixtrans-80.2-32.5175.4-71.5-77.2000111.3D863 F867 E868 H908D863-Y865 PolarHBondContact O-N 2.89Å; D863-Y865 PolarHBondContact OD1-N 3.01Å; Y865-F867 VanDerWaalsContact C-N 3.28Å; Y865-E868 PolarHBondContact O-N 2.87Å; Y865-H908 AromaticContact CD1-CE1 3.84Å; Y865-H908 AromaticContact CE1-CE1 3.94Å
866E81.5Confident69.9Low51 Ų5157.2 Ų57.224%0.23830%0.295CS..Hα-helixtrans-63.1-37169.4-175.2167.2-118.500111.7D863 E868 K869 C886 M933 S934D863-E866 HydrophobicContact CB-CB 3.87Å; D863-E866 VanDerWaalsContact CG-CB 3.5Å; D863-E866 WeakPolarHBondContact O-CB 3.42Å; D863-E866 PolarHBondContact O-N 2.9Å; D863-E866 PolarHBondContact OD1-N 2.95Å; E866-E868 VanDerWaalsContact C-N 3.27Å; E866-E868 PolarHBondContact O-N 2.88Å; E866-K869 HydrophobicContact CG-CD 4.46Å; E866-K869 WeakPolarHBondContact O-CB 3.48Å; E866-K869 PolarHBondContact O-N 2.98Å; E866-K869 VanDerWaalsContact O-N 3.12Å; E866-C886 PolarHBondContact O-SG 2.7Å; E866-M933 HydrophobicContact CB-CB 4.43Å; E866-S934 PolarHBondContact OE2-N 2.93Å
867F83.6Confident68.2Low0 Ų063 Ų630%033%0.333CS..Hα-helixtrans-60.3-32.4176.9-162.8-126.6000114.1D863 W864 Y865 C886 T887 W904 F907 F918 L922 M933 I936 M938D863-F867 PolarHBondContact O-N 3.12Å; W864-F867 WeakPolarHBondContact O-CB 3.32Å; Y865-F867 VanDerWaalsContact C-N 3.28Å; F867-C886 HydrophobicContact CD2-CB 3.85Å; F867-C886 HydrophobicContact CE2-CB 4.48Å; F867-C886 WeakPolarHBondContact O-CB 3.49Å; F867-T887 PolarHBondContact O-OG1 2.86Å; F867-W904 AromaticContact CD1-CH2 3.96Å; F867-W904 HydrophobicContact CD1-CH2 3.96Å; F867-W904 HydrophobicContact CD1-CZ3 4.22Å; F867-W904 HydrophobicContact CE1-CH2 4.37Å; F867-F907 HydrophobicContact CD1-CE1 4.38Å; F867-F907 HydrophobicContact CD1-CZ 4.04Å; F867-F907 HydrophobicContact CE1-CZ 4.42Å; F867-F918 AromaticContact CE1-CE1 3.99Å; F867-F918 HydrophobicContact CE1-CE1 3.99Å; F867-L922 HydrophobicContact CZ-CD2 3.74Å; F867-M933 HydrophobicContact CB-CE 3.79Å; F867-M933 HydrophobicContact CB-CG 3.75Å; F867-M933 HydrophobicContact CD1-CE 3.94Å; F867-M933 HydrophobicContact CD2-CE 3.31Å; F867-M933 HydrophobicContact CD2-CG 3.9Å; F867-M933 HydrophobicContact CD2-SD 4.39Å; F867-M933 HydrophobicContact CE1-CE 4.37Å; F867-M933 HydrophobicContact CE2-CE 3.81Å; F867-M933 HydrophobicContact CG-CE 3.39Å; F867-M933 HydrophobicContact CG-CG 4.16Å; F867-M933 HydrophobicContact CZ-CE 4.31Å; F867-I936 HydrophobicContact CE2-CB 4.24Å; F867-I936 HydrophobicContact CE2-CG2 3.77Å; F867-M938 HydrophobicContact CE1-SD 3.92Å; F867-M938 HydrophobicContact CE2-CB 4.18Å; F867-M938 HydrophobicContact CZ-CB 3.94Å; F867-M938 HydrophobicContact CZ-CG 4.43Å; F867-M938 HydrophobicContact CZ-SD 3.81Å
868E85.5Confident66.5Low47 Ų4768 Ų6822%0.2236%0.355CS..Hα-helixtrans-73.9-24.3177.1176.3178.8173.400113.3Y865 E866 V870 W904 H908Y865-E868 PolarHBondContact O-N 2.87Å; E866-E868 VanDerWaalsContact C-N 3.27Å; E866-E868 PolarHBondContact O-N 2.88Å; E868-V870 WeakPolarHBondContact O-CG2 3.3Å; E868-V870 PolarHBondContact O-N 2.94Å; E868-W904 VanDerWaalsContact CA-CH2 3.49Å; E868-W904 HydrophobicContact CB-CD2 4.01Å; E868-W904 HydrophobicContact CB-CE3 3.83Å; E868-W904 HydrophobicContact CB-CH2 3.97Å; E868-W904 HydrophobicContact CB-CZ2 4.11Å; E868-W904 HydrophobicContact CB-CZ3 3.81Å; E868-W904 HydrophobicContact CG-CD2 3.62Å; E868-W904 HydrophobicContact CG-CE3 3.96Å; E868-W904 HydrophobicContact CG-CG 3.95Å; E868-W904 HydrophobicContact CG-CH2 4.48Å; E868-W904 HydrophobicContact CG-CZ2 4.17Å; E868-W904 HydrophobicContact CG-CZ3 4.38Å; E868-H908 IonicContact OE2-CD2 3.11Å; E868-H908 IonicContact OE2-CE1 2.67Å; E868-H908 IonicContact OE2-NE2 3.19Å; E868-H908 PolarHBondContact OE2-NE2 3.46Å
869K75Confident64.5Low91 Ų9172.8 Ų72.840%0.39638%0.38SS..  trans-59.7132.6-172.1-61.3176.3-174.5158.30110.4E866 Y885 C886 T887E866-K869 HydrophobicContact CG-CD 4.46Å; E866-K869 WeakPolarHBondContact O-CB 3.48Å; E866-K869 PolarHBondContact O-N 2.98Å; E866-K869 VanDerWaalsContact O-N 3.12Å; K869-Y885 HydrophobicContact CB-CD1 3.75Å; K869-Y885 HydrophobicContact CB-CE1 4.39Å; K869-Y885 WeakPolarHBondContact O-CB 3.36Å; K869-C886 PolarHBondContact O-N 2.78Å; K869-C886 VanDerWaalsContact O-N 3.12Å; K869-T887 PolarHBondContact O-N 2.85Å; K869-T887 VanDerWaalsContact O-N 3.15Å
870V56.7Low62.4Low5 Ų580.1 Ų80.13%0.0341%0.408CS..BIsolated β-bridgetrans-103.9141-162.7179.20000112E868 E872 Y885 T887 Y889 R895E868-V870 WeakPolarHBondContact O-CG2 3.3Å; E868-V870 PolarHBondContact O-N 2.94Å; V870-E872 VanDerWaalsContact C-N 3.3Å; V870-E872 PolarHBondContact O-N 3.48Å; V870-Y885 VanDerWaalsContact C-CG 3.49Å; V870-Y885 WeakPolarHBondContact O-CD1 3.36Å; V870-Y885 VanDerWaalsContact O-CD2 3.23Å; V870-Y885 WeakPolarHBondContact O-CD2 3.47Å; V870-T887 WeakPolarHBondContact CA-O 3.42Å; V870-Y889 HydrophobicContact CB-CE2 3.97Å; V870-Y889 HydrophobicContact CG1-CD2 3.59Å; V870-Y889 HydrophobicContact CG1-CE2 3.28Å; V870-Y889 HydrophobicContact CG2-CE2 3.42Å; V870-Y889 VanDerWaalsContact CG2-CE2 3.42Å; V870-Y889 WeakPolarHBondContact CG2-OH 3.33Å; V870-R895 HydrophobicContact CG1-CB 4.28Å; V870-R895 HydrophobicContact CG2-CB 4.18Å; V870-R895 HydrophobicContact CG2-CG 3.88Å
871I49.8Very low59.9Low53 Ų5381 Ų8127%0.27241%0.412SS..  trans-65.289.2160.5-55.9179.2000108.3A873 T887 E888I871-A873 PolarHBondContact O-N 3.24Å; I871-A873 VanDerWaalsContact O-N 3.14Å; I871-T887 PolarHBondContact N-O 3.27Å; I871-E888 HydrophobicContact CD1-CB 3.78Å; I871-E888 HydrophobicContact CD1-CG 4.05Å
872E41.8Very low58Low109 Ų10980 Ų8051%0.50941%0.411SS..  trans-69.4110.1162.3-80.9174.5-152.800106.5V870 A874 R895V870-E872 VanDerWaalsContact C-N 3.3Å; V870-E872 PolarHBondContact O-N 3.48Å; E872-A874 VanDerWaalsContact C-N 3.31Å; E872-A874 PolarHBondContact O-N 3.46Å; E872-R895 IonicContact OE1-NH1 2.62Å; E872-R895 PolarHBondContact OE1-NH1 3.03Å
873A41Very low55.8Low79 Ų7982.8 Ų82.865%0.65343%0.432SS*.  trans-54.498.1178.400000108.5I871 T875I871-A873 PolarHBondContact O-N 3.24Å; I871-A873 VanDerWaalsContact O-N 3.14Å; A873-T875 PolarHBondContact O-N 2.85Å
874A38.5Very low54Low50 Ų5083.5 Ų83.541%0.41344%0.435SS..  trans-53.5114.3167.800000105.8E872 D876 L879E872-A874 VanDerWaalsContact C-N 3.31Å; E872-A874 PolarHBondContact O-N 3.46Å; A874-D876 PolarHBondContact O-N 3.19Å; A874-L879 HydrophobicContact CB-CB 3.98Å; A874-L879 HydrophobicContact CB-CD2 4.25Å
875T39.5Very low52.7Low111 Ų11186.4 Ų86.468%0.68145%0.446SS*.SBendtrans-652-179.932.20000112.8A873 P877A873-T875 PolarHBondContact O-N 2.85Å; T875-P877 WeakPolarHBondContact O-CD 3.4Å
876D39.7Very low52Low82 Ų8278.6 Ų78.644%0.43942%0.416SS..SBendtrans-98110.2167.7-159.8-26.3000109.6A874 E878 L879A874-D876 PolarHBondContact O-N 3.19Å; D876-E878 PolarHBondContact O-N 3.09Å; D876-E878 PolarHBondContact OD1-N 2.68Å; D876-L879 HydrophobicContact CB-CB 4.48Å; D876-L879 PolarHBondContact O-N 2.96Å
877P44.5Very low52Low123 Ų12376.2 Ų76.280%0.79940%0.404SS*.THydrogen-bonded Turntrans-55.5-10.1176.3-23.132.5000114.4T875T875-P877 WeakPolarHBondContact O-CD 3.4Å
878E44.9Very low52Low121 Ų12178.2 Ų78.257%0.56541%0.414SS*.THydrogen-bonded Turntrans-91.3-7.2177.8-52.8-161.3161.300114.6N549 D876N549-E878 WeakPolarHBondContact ND2-CG 3.38Å; N549-E878 PolarHBondContact ND2-OE1 3.48Å; D876-E878 PolarHBondContact O-N 3.09Å; D876-E878 PolarHBondContact OD1-N 2.68Å
879L41.2Very low52Low102 Ų10277.4 Ų77.453%0.53441%0.409SS..  trans-108.435.4-173.3-146.681.3000113.9A874 D876 H881A874-L879 HydrophobicContact CB-CB 3.98Å; A874-L879 HydrophobicContact CB-CD2 4.25Å; D876-L879 HydrophobicContact CB-CB 4.48Å; D876-L879 PolarHBondContact O-N 2.96Å; L879-H881 VanDerWaalsContact C-N 3.25Å; L879-H881 PolarHBondContact O-N 2.78Å
880Y36.7Very low52.4Low158 Ų15877.9 Ų77.962%0.6241%0.408SS*.  trans-77.63.7-174.7-166.6-113.1000115.1
881H32.8Very low53.5Low97 Ų9781.4 Ų81.445%0.44945%0.445SS..SBendtrans-144.2105.3-171.4-45.7-74.8000111.9S507 L879S507-H881 PolarHBondContact OG-O 2.87Å; L879-H881 VanDerWaalsContact C-N 3.25Å; L879-H881 PolarHBondContact O-N 2.78Å
882L41.6Very low55.1Low112 Ų11284.2 Ų84.259%0.58646%0.457SS*.SBend168.23124-126.869.7000116.3A506A506-L882 HydrophobicContact CB-CD1 3.46Å; A506-L882 VanDerWaalsContact CB-CD1 3.46Å; A506-L882 HydrophobicContact CB-CD2 3.96Å; A506-L882 HydrophobicContact CB-CG 4.3Å
883T39.4Very low57Low92 Ų9279.4 Ų79.456%0.56444%0.435SS*.SBendtrans-98100.7159.6-41.30000106.9Y885T883-Y885 VanDerWaalsContact C-N 3.26Å; T883-Y885 VanDerWaalsContact CB-CE2 3.43Å; T883-Y885 VanDerWaalsContact CB-CZ 3.48Å; T883-Y885 HydrophobicContact CG2-CD1 3.94Å; T883-Y885 HydrophobicContact CG2-CD2 4.27Å; T883-Y885 HydrophobicContact CG2-CE1 3.36Å; T883-Y885 HydrophobicContact CG2-CE2 3.73Å; T883-Y885 HydrophobicContact CG2-CG 4.39Å; T883-Y885 WeakPolarHBondContact CG2-OH 3.42Å; T883-Y885 WeakPolarHBondContact O-CD2 3.43Å; T883-Y885 PolarHBondContact O-N 2.89Å
884I48.8Very low58.8Low84 Ų8481.5 Ų81.543%0.43143%0.426SS..  trans-73.789.7-178.3-53.2175.8000106.5S934I884-S934 WeakPolarHBondContact CG2-O 3.25Å
885Y60.4Low60.8Low83 Ų8383.7 Ų83.733%0.32542%0.423SS..  trans-83.5139.3174-62.3-64.6000109.5K869 V870 T883K869-Y885 HydrophobicContact CB-CD1 3.75Å; K869-Y885 HydrophobicContact CB-CE1 4.39Å; K869-Y885 WeakPolarHBondContact O-CB 3.36Å; V870-Y885 VanDerWaalsContact C-CG 3.49Å; V870-Y885 WeakPolarHBondContact O-CD1 3.36Å; V870-Y885 VanDerWaalsContact O-CD2 3.23Å; V870-Y885 WeakPolarHBondContact O-CD2 3.47Å; T883-Y885 VanDerWaalsContact C-N 3.26Å; T883-Y885 VanDerWaalsContact CB-CE2 3.43Å; T883-Y885 VanDerWaalsContact CB-CZ 3.48Å; T883-Y885 HydrophobicContact CG2-CD1 3.94Å; T883-Y885 HydrophobicContact CG2-CD2 4.27Å; T883-Y885 HydrophobicContact CG2-CE1 3.36Å; T883-Y885 HydrophobicContact CG2-CE2 3.73Å; T883-Y885 HydrophobicContact CG2-CG 4.39Å; T883-Y885 WeakPolarHBondContact CG2-OH 3.42Å; T883-Y885 WeakPolarHBondContact O-CD2 3.43Å; T883-Y885 PolarHBondContact O-N 2.89Å
886C68.7Low62.8Low1 Ų181.8 Ų81.81%0.00741%0.409CS..SBendtrans-77.4-28.3-171.3-59.80000112.9E866 F867 K869 M933 S934 I936 K937 M938E866-C886 PolarHBondContact O-SG 2.7Å; F867-C886 HydrophobicContact CD2-CB 3.85Å; F867-C886 HydrophobicContact CE2-CB 4.48Å; F867-C886 WeakPolarHBondContact O-CB 3.49Å; K869-C886 PolarHBondContact O-N 2.78Å; K869-C886 VanDerWaalsContact O-N 3.12Å; C886-M933 PolarHBondContact SG-O 2.93Å; C886-S934 VanDerWaalsContact SG-CA 3.51Å; C886-I936 WeakPolarHBondContact CA-O 3.37Å; C886-I936 WeakPolarHBondContact CB-O 3.42Å; C886-K937 CarbonylContact O-C 3.58Å; C886-K937 WeakPolarHBondContact O-CA 3.37Å; C886-M938 PolarHBondContact O-N 3.49Å
887T82.2Confident65Low0 Ų079 Ų790%039%0.393CS..EExtended strand (participates in β ladder)trans-119.9125.8-174-58.40000113.1F867 K869 V870 I871 Y889 W904 M938 I940F867-T887 PolarHBondContact O-OG1 2.86Å; K869-T887 PolarHBondContact O-N 2.85Å; K869-T887 VanDerWaalsContact O-N 3.15Å; V870-T887 WeakPolarHBondContact CA-O 3.42Å; I871-T887 PolarHBondContact N-O 3.27Å; T887-Y889 HydrophobicContact CG2-CD1 4.32Å; T887-Y889 HydrophobicContact CG2-CE1 3.68Å; T887-W904 HydrophobicContact CG2-CZ2 4.09Å; T887-M938 CarbonylContact C-O 3.34Å; T887-M938 WeakPolarHBondContact CA-O 3.44Å; T887-I940 HydrophobicContact CG2-CD1 4.03Å; T887-I940 HydrophobicContact CG2-CG1 3.94Å
888E84.1Confident67.1Low43 Ų4377 Ų7720%0.20138%0.38CS..EExtended strand (participates in β ladder)trans-104.2137.5171.8-172-177.6132.900110.2I871 R890 M938 I939 I940I871-E888 HydrophobicContact CD1-CB 3.78Å; I871-E888 HydrophobicContact CD1-CG 4.05Å; E888-R890 IonicContact OE1-CZ 2.96Å; E888-R890 IonicContact OE1-NE 2.84Å; E888-R890 PolarHBondContact OE1-NE 3.03Å; E888-R890 IonicContact OE1-NH2 3.76Å; E888-R890 PolarHBondContact OE1-NH2 2.8Å; E888-R890 VanDerWaalsContact OE1-NH2 3.13Å; E888-R890 IonicContact OE2-NH2 3.23Å; E888-M938 PolarHBondContact N-O 2.95Å; E888-I939 HydrophobicContact CB-CG1 4.05Å; E888-I939 CarbonylContact O-C 3.6Å; E888-I939 WeakPolarHBondContact O-CA 3.35Å; E888-I940 PolarHBondContact O-N 2.73Å
889Y85.7Confident69.3Low29 Ų2971.4 Ų71.411%0.11436%0.355CS..EExtended strand (participates in β ladder)trans-108.8132.8172.2-53.4-67.9000110.8V870 T887 Y893 R895 I900 W904 I940V870-Y889 HydrophobicContact CB-CE2 3.97Å; V870-Y889 HydrophobicContact CG1-CD2 3.59Å; V870-Y889 HydrophobicContact CG1-CE2 3.28Å; V870-Y889 HydrophobicContact CG2-CE2 3.42Å; V870-Y889 VanDerWaalsContact CG2-CE2 3.42Å; V870-Y889 WeakPolarHBondContact CG2-OH 3.33Å; T887-Y889 HydrophobicContact CG2-CD1 4.32Å; T887-Y889 HydrophobicContact CG2-CE1 3.68Å; Y889-Y893 WeakPolarHBondContact CB-O 3.38Å; Y889-R895 HydrophobicContact CE2-CB 4Å; Y889-I900 HydrophobicContact CD1-CD1 3.82Å; Y889-I900 HydrophobicContact CD1-CG1 4.13Å; Y889-I900 HydrophobicContact CD1-CG2 4.31Å; Y889-I900 HydrophobicContact CE1-CB 4.49Å; Y889-I900 HydrophobicContact CE1-CD1 3.8Å; Y889-I900 HydrophobicContact CE1-CG1 4.13Å; Y889-I900 HydrophobicContact CE1-CG2 3.54Å; Y889-I900 HydrophobicContact CE2-CG2 4.3Å; Y889-W904 AromaticContact CZ-NE1 3.94Å; Y889-W904 PolarHBondContact OH-NE1 3.49Å; Y889-I940 WeakPolarHBondContact CA-O 3.3Å; Y889-I940 HydrophobicContact CD1-CB 3.98Å; Y889-I940 HydrophobicContact CD1-CD1 4.49Å; Y889-I940 HydrophobicContact CD1-CG1 4.34Å; Y889-I940 HydrophobicContact CE1-CB 4.34Å; Y889-I940 HydrophobicContact CE1-CD1 3.98Å; Y889-I940 HydrophobicContact CE1-CG1 4.25Å
890R82.4Confident71.8Confident102 Ų10266.6 Ų66.639%0.38533%0.329SS..  trans-115.8157.2179.3-69.5-173.9179.71761.8112.2E888 E892 Y893 I939 I940 Q941 P942E888-R890 IonicContact OE1-CZ 2.96Å; E888-R890 IonicContact OE1-NE 2.84Å; E888-R890 PolarHBondContact OE1-NE 3.03Å; E888-R890 IonicContact OE1-NH2 3.76Å; E888-R890 PolarHBondContact OE1-NH2 2.8Å; E888-R890 VanDerWaalsContact OE1-NH2 3.13Å; E888-R890 IonicContact OE2-NH2 3.23Å; R890-E892 PolarHBondContact O-N 2.69Å; R890-Y893 PolarHBondContact O-N 3.45Å; R890-I939 HydrophobicContact CG-CG2 3.8Å; R890-I940 PolarHBondContact N-O 2.81Å; R890-Q941 HydrophobicContact CB-CB 3.9Å; R890-P942 WeakPolarHBondContact O-CD 3.14Å
891G80.4Confident74.4Confident78 Ų7863.7 Ų63.780%0.80432%0.32SS*.THydrogen-bonded Turntrans66.8-124.9176.600000112Y893G891-Y893 VanDerWaalsContact C-N 3.29Å; G891-Y893 PolarHBondContact O-N 3.42Å
892E81.9Confident77.3Confident112 Ų11260.2 Ų60.252%0.52330%0.304SS..THydrogen-bonded Turntrans-84.92.7-178.3-60.6-179.6-116.200113.9R890 W894 H897 P942 K964R890-E892 PolarHBondContact O-N 2.69Å; E892-W894 WeakPolarHBondContact O-CZ3 3.28Å; E892-H897 PolarHBondContact O-CD2 2.77Å; E892-H897 VanDerWaalsContact O-CD2 3.28Å; E892-P942 HydrophobicContact CB-CG 4.2Å; E892-K964 IonicContact OE1-NZ 3.76Å; E892-K964 PolarHBondContact OE1-NZ 2.92Å; E892-K964 IonicContact OE2-NZ 2.84Å; E892-K964 PolarHBondContact OE2-NZ 2.74Å
893Y82.8Confident79.8Confident8 Ų854.9 Ų54.93%0.03128%0.276CS..  trans-96.2138.8177.4-69.1-26000112.3Y889 R890 G891 H897 T899 I900 I940 P942 L962 P963 K964Y889-Y893 WeakPolarHBondContact CB-O 3.38Å; R890-Y893 PolarHBondContact O-N 3.45Å; G891-Y893 VanDerWaalsContact C-N 3.29Å; G891-Y893 PolarHBondContact O-N 3.42Å; Y893-H897 HydrophobicContact CD1-CB 4.42Å; Y893-H897 AromaticContact CD1-CE1 3.72Å; Y893-H897 AromaticContact CD1-CG 3.75Å; Y893-H897 AromaticContact CD1-ND1 3.52Å; Y893-H897 AromaticContact CE1-CE1 3.48Å; Y893-H897 VanDerWaalsContact CE1-CE1 3.48Å; Y893-H897 WeakPolarHBondContact CE1-CE1 3.32Å; Y893-H897 AromaticContact CE1-ND1 3.6Å; Y893-T899 HydrophobicContact CE1-CG2 4.31Å; Y893-I900 HydrophobicContact CD1-CD1 4.38Å; Y893-I900 HydrophobicContact CD1-CG1 4.23Å; Y893-I900 HydrophobicContact CD2-CD1 3.93Å; Y893-I900 HydrophobicContact CE2-CD1 4.47Å; Y893-I900 HydrophobicContact CG-CD1 3.87Å; Y893-I900 HydrophobicContact CG-CG1 4.03Å; Y893-I940 HydrophobicContact CD2-CG2 4.05Å; Y893-I940 HydrophobicContact CE2-CG2 4.34Å; Y893-P942 HydrophobicContact CD1-CB 4.45Å; Y893-P942 HydrophobicContact CD2-CB 4.04Å; Y893-P942 HydrophobicContact CD2-CG 4.32Å; Y893-P942 HydrophobicContact CE1-CB 4.09Å; Y893-P942 HydrophobicContact CE2-CB 3.63Å; Y893-P942 HydrophobicContact CE2-CG 4.39Å; Y893-P942 VanDerWaalsContact CE2-N 3.34Å; Y893-P942 HydrophobicContact CG-CB 4.43Å; Y893-L962 HydrophobicContact CE2-CB 3.99Å; Y893-L962 HydrophobicContact CE2-CD2 4.39Å; Y893-L962 HydrophobicContact CE2-CG 4.38Å; Y893-L962 WeakPolarHBondContact CE2-O 3.44Å; Y893-L962 VanDerWaalsContact CZ-O 3.3Å; Y893-L962 PolarHBondContact OH-O 2.63Å; Y893-P963 PolarHBondContact OH-O 2.96Å; Y893-P963 VanDerWaalsContact OH-O 3.11Å; Y893-K964 HydrophobicContact CE1-CG 4.07Å; Y893-K964 WeakPolarHBondContact OH-CA 3.44Å; Y893-K964 WeakPolarHBondContact OH-CG 3.5Å; Y893-K964 PolarHBondContact OH-N 3.47Å
894W79.2Confident82.4Confident123 Ų12351 Ų5147%0.46625%0.251SS..  trans-144.2169169.966.897.3000108.3E892 D896 H897E892-W894 WeakPolarHBondContact O-CZ3 3.28Å; W894-D896 VanDerWaalsContact CD1-N 3.28Å; W894-D896 PolarHBondContact O-N 2.64Å; W894-D896 VanDerWaalsContact O-N 3.09Å; W894-H897 HydrophobicContact CD2-CB 3.85Å; W894-H897 HydrophobicContact CE3-CB 4.04Å; W894-H897 AromaticContact CE3-CD2 3.98Å; W894-H897 HydrophobicContact CG-CB 4.33Å; W894-H897 HydrophobicContact CH2-CB 4.41Å; W894-H897 AromaticContact CH2-CD2 3.59Å; W894-H897 HydrophobicContact CZ2-CB 4.21Å; W894-H897 HydrophobicContact CZ3-CB 4.34Å; W894-H897 AromaticContact CZ3-CD2 3.49Å; W894-H897 VanDerWaalsContact CZ3-CD2 3.49Å; W894-H897 WeakPolarHBondContact CZ3-CD2 3.34Å; W894-H897 VanDerWaalsContact O-CB 3.24Å; W894-H897 WeakPolarHBondContact O-CB 3.41Å; W894-H897 PolarHBondContact O-N 3.42Å
895R80.5Confident84.6Confident96 Ų9651.7 Ų51.736%0.36225%0.253SS..THydrogen-bonded Turntrans-48.3-43.6-175.2-176172.2-164.2159.16.1114.1V870 E872 Y889V870-R895 HydrophobicContact CG1-CB 4.28Å; V870-R895 HydrophobicContact CG2-CB 4.18Å; V870-R895 HydrophobicContact CG2-CG 3.88Å; E872-R895 IonicContact OE1-NH1 2.62Å; E872-R895 PolarHBondContact OE1-NH1 3.03Å; Y889-R895 HydrophobicContact CE2-CB 4Å
896D81.5Confident86.2Confident72 Ų7247.8 Ų47.839%0.38524%0.238SC..THydrogen-bonded Turntrans-90.92.3-176.5-76-59.9000114.6W894 K901W894-D896 VanDerWaalsContact CD1-N 3.28Å; W894-D896 PolarHBondContact O-N 2.64Å; W894-D896 VanDerWaalsContact O-N 3.09Å; D896-K901 VanDerWaalsContact CA-CE 3.49Å; D896-K901 WeakPolarHBondContact O-CE 3.4Å; D896-K901 WeakPolarHBondContact OD1-CE 3.3Å; D896-K901 IonicContact OD1-NZ 3.67Å; D896-K901 PolarHBondContact OD1-NZ 2.92Å
897H85.1Confident87.5Confident23 Ų2347.8 Ų47.811%0.10624%0.237CC..  trans-60.3136.4178-176.8-82.5000109.9E892 Y893 W894 T899 I900 K901E892-H897 PolarHBondContact O-CD2 2.77Å; E892-H897 VanDerWaalsContact O-CD2 3.28Å; Y893-H897 HydrophobicContact CD1-CB 4.42Å; Y893-H897 AromaticContact CD1-CE1 3.72Å; Y893-H897 AromaticContact CD1-CG 3.75Å; Y893-H897 AromaticContact CD1-ND1 3.52Å; Y893-H897 AromaticContact CE1-CE1 3.48Å; Y893-H897 VanDerWaalsContact CE1-CE1 3.48Å; Y893-H897 WeakPolarHBondContact CE1-CE1 3.32Å; Y893-H897 AromaticContact CE1-ND1 3.6Å; W894-H897 HydrophobicContact CD2-CB 3.85Å; W894-H897 HydrophobicContact CE3-CB 4.04Å; W894-H897 AromaticContact CE3-CD2 3.98Å; W894-H897 HydrophobicContact CG-CB 4.33Å; W894-H897 HydrophobicContact CH2-CB 4.41Å; W894-H897 AromaticContact CH2-CD2 3.59Å; W894-H897 HydrophobicContact CZ2-CB 4.21Å; W894-H897 HydrophobicContact CZ3-CB 4.34Å; W894-H897 AromaticContact CZ3-CD2 3.49Å; W894-H897 VanDerWaalsContact CZ3-CD2 3.49Å; W894-H897 WeakPolarHBondContact CZ3-CD2 3.34Å; W894-H897 VanDerWaalsContact O-CB 3.24Å; W894-H897 WeakPolarHBondContact O-CB 3.41Å; W894-H897 PolarHBondContact O-N 3.42Å; H897-T899 VanDerWaalsContact C-N 3.32Å; H897-T899 PolarHBondContact CE1-OG1 2.74Å; H897-T899 VanDerWaalsContact CE1-OG1 3.31Å; H897-T899 WeakPolarHBondContact ND1-CB 3.45Å; H897-T899 PolarHBondContact ND1-N 2.88Å; H897-T899 VanDerWaalsContact ND1-N 3.17Å; H897-T899 PolarHBondContact O-N 3.23Å; H897-I900 HydrophobicContact CB-CB 4.29Å; H897-I900 HydrophobicContact CB-CG1 4.02Å; H897-I900 WeakPolarHBondContact O-CA 3.17Å; H897-I900 WeakPolarHBondContact O-CB 3.35Å; H897-I900 PolarHBondContact O-N 2.81Å; H897-K901 PolarHBondContact O-N 3.1Å
898P88.1Confident88.1Confident80 Ų8050 Ų5052%0.51925%0.248SC..Hα-helixtrans-51.4-45.9-175.3-29.634.9000114.1I900 K901 I902P898-I900 VanDerWaalsContact C-N 3.3Å; P898-I900 PolarHBondContact O-N 3.17Å; P898-K901 PolarHBondContact O-N 2.91Å; P898-I902 VanDerWaalsContact O-CG1 3.25Å; P898-I902 WeakPolarHBondContact O-CG1 3.41Å; P898-I902 PolarHBondContact O-N 2.86Å
899T91.7Very high88.5Confident5 Ų552 Ų523%0.03127%0.267CS..Hα-helixtrans-62.2-34.7176.7-52.60000113Y893 H897 F903 L962 F965Y893-T899 HydrophobicContact CE1-CG2 4.31Å; H897-T899 VanDerWaalsContact C-N 3.32Å; H897-T899 PolarHBondContact CE1-OG1 2.74Å; H897-T899 VanDerWaalsContact CE1-OG1 3.31Å; H897-T899 WeakPolarHBondContact ND1-CB 3.45Å; H897-T899 PolarHBondContact ND1-N 2.88Å; H897-T899 VanDerWaalsContact ND1-N 3.17Å; H897-T899 PolarHBondContact O-N 3.23Å; T899-F903 WeakPolarHBondContact O-CB 3.45Å; T899-F903 PolarHBondContact O-N 2.81Å; T899-L962 HydrophobicContact CG2-CD2 4.01Å; T899-L962 HydrophobicContact CG2-CG 4.28Å; T899-F965 HydrophobicContact CG2-CB 4.19Å; T899-F965 HydrophobicContact CG2-CD2 4.36Å; T899-F965 PolarHBondContact OG1-N 2.93Å; T899-F965 PolarHBondContact OG1-O 2.84Å
900I93.5Very high88.9Confident0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-73-40.7179.3-64.2-56.6000110.9Y889 Y893 H897 P898 I902 F903 W904 I940 L962Y889-I900 HydrophobicContact CD1-CD1 3.82Å; Y889-I900 HydrophobicContact CD1-CG1 4.13Å; Y889-I900 HydrophobicContact CD1-CG2 4.31Å; Y889-I900 HydrophobicContact CE1-CB 4.49Å; Y889-I900 HydrophobicContact CE1-CD1 3.8Å; Y889-I900 HydrophobicContact CE1-CG1 4.13Å; Y889-I900 HydrophobicContact CE1-CG2 3.54Å; Y889-I900 HydrophobicContact CE2-CG2 4.3Å; Y893-I900 HydrophobicContact CD1-CD1 4.38Å; Y893-I900 HydrophobicContact CD1-CG1 4.23Å; Y893-I900 HydrophobicContact CD2-CD1 3.93Å; Y893-I900 HydrophobicContact CE2-CD1 4.47Å; Y893-I900 HydrophobicContact CG-CD1 3.87Å; Y893-I900 HydrophobicContact CG-CG1 4.03Å; H897-I900 HydrophobicContact CB-CB 4.29Å; H897-I900 HydrophobicContact CB-CG1 4.02Å; H897-I900 WeakPolarHBondContact O-CA 3.17Å; H897-I900 WeakPolarHBondContact O-CB 3.35Å; H897-I900 PolarHBondContact O-N 2.81Å; P898-I900 VanDerWaalsContact C-N 3.3Å; P898-I900 PolarHBondContact O-N 3.17Å; I900-I902 VanDerWaalsContact C-N 3.34Å; I900-I902 PolarHBondContact O-N 2.72Å; I900-F903 WeakPolarHBondContact O-CB 3.47Å; I900-F903 PolarHBondContact O-N 2.51Å; I900-W904 VanDerWaalsContact O-CD1 3.29Å; I900-W904 PolarHBondContact O-N 2.73Å; I900-I940 HydrophobicContact CD1-CB 4.49Å; I900-I940 HydrophobicContact CD1-CG2 3.97Å; I900-L962 HydrophobicContact CD1-CD2 4.12Å
901K91.7Very high89.4Confident98 Ų9850.2 Ų50.243%0.42627%0.269SS..Hα-helixtrans-59-47.8172.3-69.4-170.5179.5-172.70111.2D896 H897 P898 F903 W904 E905D896-K901 VanDerWaalsContact CA-CE 3.49Å; D896-K901 WeakPolarHBondContact O-CE 3.4Å; D896-K901 WeakPolarHBondContact OD1-CE 3.3Å; D896-K901 IonicContact OD1-NZ 3.67Å; D896-K901 PolarHBondContact OD1-NZ 2.92Å; H897-K901 PolarHBondContact O-N 3.1Å; P898-K901 PolarHBondContact O-N 2.91Å; K901-F903 VanDerWaalsContact C-N 3.31Å; K901-F903 PolarHBondContact O-N 2.95Å; K901-W904 PolarHBondContact O-N 3.5Å; K901-E905 WeakPolarHBondContact O-CB 3.17Å; K901-E905 WeakPolarHBondContact O-CG 3.49Å; K901-E905 PolarHBondContact O-N 3.17Å
902I92.8Very high89.9Confident24 Ų2450.4 Ų50.412%0.12325%0.252CS..Hα-helixtrans-60.5-43.2176.7-64.7169.4000110.5P898 I900 W904 E905 V906 K968 L971P898-I902 VanDerWaalsContact O-CG1 3.25Å; P898-I902 WeakPolarHBondContact O-CG1 3.41Å; P898-I902 PolarHBondContact O-N 2.86Å; I900-I902 VanDerWaalsContact C-N 3.34Å; I900-I902 PolarHBondContact O-N 2.72Å; I902-W904 PolarHBondContact O-N 2.84Å; I902-E905 PolarHBondContact O-N 2.81Å; I902-V906 HydrophobicContact CG2-CG2 4.33Å; I902-V906 WeakPolarHBondContact O-CB 3.27Å; I902-V906 VanDerWaalsContact O-CG2 3.3Å; I902-V906 WeakPolarHBondContact O-CG2 3.45Å; I902-V906 PolarHBondContact O-N 2.98Å; I902-K968 VanDerWaalsContact CG2-CA 3.45Å; I902-K968 HydrophobicContact CG2-CB 3.83Å; I902-K968 HydrophobicContact CG2-CG 4.11Å; I902-L971 HydrophobicContact CB-CD2 4.37Å; I902-L971 HydrophobicContact CG2-CB 4.31Å; I902-L971 HydrophobicContact CG2-CD2 3.75Å
903F95.2Very high90.3Very high0 Ų051.2 Ų51.20%026%0.256CS..Hα-helixtrans-56.4-50.6176.5170.5-96000112.3T899 I900 K901 E905 V906 F907 F918 M938 I940 L960 L962 L971 L975T899-F903 WeakPolarHBondContact O-CB 3.45Å; T899-F903 PolarHBondContact O-N 2.81Å; I900-F903 WeakPolarHBondContact O-CB 3.47Å; I900-F903 PolarHBondContact O-N 2.51Å; K901-F903 VanDerWaalsContact C-N 3.31Å; K901-F903 PolarHBondContact O-N 2.95Å; F903-E905 PolarHBondContact O-N 2.88Å; F903-V906 PolarHBondContact O-N 2.88Å; F903-F907 WeakPolarHBondContact O-CB 3.43Å; F903-F907 PolarHBondContact O-N 3.08Å; F903-F918 HydrophobicContact CE2-CE2 4.23Å; F903-F918 HydrophobicContact CE2-CZ 4.22Å; F903-F918 HydrophobicContact CZ-CE2 4.25Å; F903-F918 AromaticContact CZ-CZ 3.79Å; F903-F918 HydrophobicContact CZ-CZ 3.79Å; F903-M938 HydrophobicContact CZ-CE 4.13Å; F903-I940 HydrophobicContact CD1-CD1 4Å; F903-I940 HydrophobicContact CE1-CD1 3.68Å; F903-I940 HydrophobicContact CZ-CD1 4.15Å; F903-L960 HydrophobicContact CD2-CD2 4.48Å; F903-L960 HydrophobicContact CE2-CD2 3.73Å; F903-L960 HydrophobicContact CZ-CD2 4.06Å; F903-L962 HydrophobicContact CB-CD2 3.99Å; F903-L962 HydrophobicContact CD2-CD1 4.35Å; F903-L962 HydrophobicContact CD2-CD2 4.07Å; F903-L962 HydrophobicContact CG-CD2 4.1Å; F903-L971 VanDerWaalsContact CA-CD2 3.45Å; F903-L971 HydrophobicContact CB-CD2 3.92Å; F903-L975 HydrophobicContact CD2-CD2 4.29Å; F903-L975 HydrophobicContact CE2-CD2 4.07Å
904W94.9Very high90.8Very high9 Ų953 Ų533%0.03426%0.264CS..Hα-helixtrans-68.8-35.1179.9-73.5115.6000113F867 E868 T887 Y889 I900 K901 I902 V906 F907 H908F867-W904 AromaticContact CD1-CH2 3.96Å; F867-W904 HydrophobicContact CD1-CH2 3.96Å; F867-W904 HydrophobicContact CD1-CZ3 4.22Å; F867-W904 HydrophobicContact CE1-CH2 4.37Å; E868-W904 VanDerWaalsContact CA-CH2 3.49Å; E868-W904 HydrophobicContact CB-CD2 4.01Å; E868-W904 HydrophobicContact CB-CE3 3.83Å; E868-W904 HydrophobicContact CB-CH2 3.97Å; E868-W904 HydrophobicContact CB-CZ2 4.11Å; E868-W904 HydrophobicContact CB-CZ3 3.81Å; E868-W904 HydrophobicContact CG-CD2 3.62Å; E868-W904 HydrophobicContact CG-CE3 3.96Å; E868-W904 HydrophobicContact CG-CG 3.95Å; E868-W904 HydrophobicContact CG-CH2 4.48Å; E868-W904 HydrophobicContact CG-CZ2 4.17Å; E868-W904 HydrophobicContact CG-CZ3 4.38Å; T887-W904 HydrophobicContact CG2-CZ2 4.09Å; Y889-W904 AromaticContact CZ-NE1 3.94Å; Y889-W904 PolarHBondContact OH-NE1 3.49Å; I900-W904 VanDerWaalsContact O-CD1 3.29Å; I900-W904 PolarHBondContact O-N 2.73Å; K901-W904 PolarHBondContact O-N 3.5Å; I902-W904 PolarHBondContact O-N 2.84Å; W904-V906 VanDerWaalsContact C-N 3.34Å; W904-V906 PolarHBondContact O-N 2.93Å; W904-F907 HydrophobicContact CE3-CB 4.11Å; W904-F907 AromaticContact CE3-CD1 3.69Å; W904-F907 HydrophobicContact CE3-CD1 3.69Å; W904-F907 HydrophobicContact CE3-CE1 4.43Å; W904-F907 HydrophobicContact CE3-CG 4.07Å; W904-F907 AromaticContact CZ3-CD1 3.55Å; W904-F907 HydrophobicContact CZ3-CD1 3.55Å; W904-F907 AromaticContact CZ3-CE1 3.86Å; W904-F907 HydrophobicContact CZ3-CE1 3.86Å; W904-F907 HydrophobicContact CZ3-CG 4.02Å; W904-F907 PolarHBondContact O-N 2.84Å; W904-H908 WeakPolarHBondContact O-CB 3.25Å; W904-H908 PolarHBondContact O-CD2 2.78Å; W904-H908 PolarHBondContact O-N 2.84Å
905E93.5Very high91.5Very high100 Ų10048.2 Ų48.247%0.46725%0.247SC..Hα-helixtrans-61.6-41.9171.4-76.2-177.1-154.600112.6K901 I902 F903 S909 K968K901-E905 WeakPolarHBondContact O-CB 3.17Å; K901-E905 WeakPolarHBondContact O-CG 3.49Å; K901-E905 PolarHBondContact O-N 3.17Å; I902-E905 PolarHBondContact O-N 2.81Å; F903-E905 PolarHBondContact O-N 2.88Å; E905-S909 WeakPolarHBondContact O-CB 3.35Å; E905-S909 PolarHBondContact O-N 2.83Å; E905-S909 PolarHBondContact O-OG 3.06Å; E905-K968 WeakPolarHBondContact OE2-CE 3.4Å; E905-K968 IonicContact OE2-NZ 2.59Å; E905-K968 PolarHBondContact OE2-NZ 3.22Å
906V95.1Very high92Very high1 Ų145.9 Ų45.91%0.00624%0.239CC..Hα-helixtrans-66.1-51175.1169.30000109.7I902 F903 W904 H908 S909 L910 K968 L971 A972 L975I902-V906 HydrophobicContact CG2-CG2 4.33Å; I902-V906 WeakPolarHBondContact O-CB 3.27Å; I902-V906 VanDerWaalsContact O-CG2 3.3Å; I902-V906 WeakPolarHBondContact O-CG2 3.45Å; I902-V906 PolarHBondContact O-N 2.98Å; F903-V906 PolarHBondContact O-N 2.88Å; W904-V906 VanDerWaalsContact C-N 3.34Å; W904-V906 PolarHBondContact O-N 2.93Å; V906-H908 VanDerWaalsContact C-N 3.34Å; V906-H908 PolarHBondContact O-N 3.2Å; V906-S909 WeakPolarHBondContact O-CA 3.41Å; V906-S909 WeakPolarHBondContact O-CB 3.45Å; V906-S909 PolarHBondContact O-N 3.23Å; V906-S909 PolarHBondContact O-OG 3.06Å; V906-L910 PolarHBondContact O-N 3Å; V906-K968 HydrophobicContact CG2-CG 3.78Å; V906-L971 HydrophobicContact CG2-CD2 4.29Å; V906-L971 HydrophobicContact CG2-CG 4.34Å; V906-A972 HydrophobicContact CG1-CB 3.88Å; V906-A972 HydrophobicContact CG2-CB 3.98Å; V906-L975 HydrophobicContact CG1-CD2 3.91Å
907F95.2Very high92.4Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-55.4-47.3-179.9-179.4-96000111.7W864 F867 F903 W904 S909 L910 K915 F918W864-F907 HydrophobicContact CB-CE1 4.3Å; W864-F907 HydrophobicContact CD2-CZ 4.41Å; W864-F907 HydrophobicContact CE3-CE1 4.18Å; W864-F907 AromaticContact CE3-CZ 3.68Å; W864-F907 HydrophobicContact CE3-CZ 3.68Å; W864-F907 HydrophobicContact CZ3-CZ 4.13Å; F867-F907 HydrophobicContact CD1-CE1 4.38Å; F867-F907 HydrophobicContact CD1-CZ 4.04Å; F867-F907 HydrophobicContact CE1-CZ 4.42Å; F903-F907 WeakPolarHBondContact O-CB 3.43Å; F903-F907 PolarHBondContact O-N 3.08Å; W904-F907 HydrophobicContact CE3-CB 4.11Å; W904-F907 AromaticContact CE3-CD1 3.69Å; W904-F907 HydrophobicContact CE3-CD1 3.69Å; W904-F907 HydrophobicContact CE3-CE1 4.43Å; W904-F907 HydrophobicContact CE3-CG 4.07Å; W904-F907 AromaticContact CZ3-CD1 3.55Å; W904-F907 HydrophobicContact CZ3-CD1 3.55Å; W904-F907 AromaticContact CZ3-CE1 3.86Å; W904-F907 HydrophobicContact CZ3-CE1 3.86Å; W904-F907 HydrophobicContact CZ3-CG 4.02Å; W904-F907 PolarHBondContact O-N 2.84Å; F907-S909 PolarHBondContact O-N 3.15Å; F907-L910 HydrophobicContact CD2-CD1 4.31Å; F907-L910 VanDerWaalsContact O-CB 3.31Å; F907-L910 WeakPolarHBondContact O-CB 3.31Å; F907-L910 PolarHBondContact O-N 3.29Å; F907-L910 VanDerWaalsContact O-N 3.12Å; F907-K915 HydrophobicContact CE1-CD 4.27Å; F907-K915 HydrophobicContact CE1-CG 4.45Å; F907-K915 HydrophobicContact CE2-CG 4.15Å; F907-K915 HydrophobicContact CZ-CB 4.36Å; F907-K915 HydrophobicContact CZ-CD 4.25Å; F907-K915 HydrophobicContact CZ-CG 4.02Å; F907-K915 WeakPolarHBondContact O-CE 3.43Å; F907-F918 HydrophobicContact CD2-CD1 4.16Å; F907-F918 HydrophobicContact CD2-CE1 4.37Å; F907-F918 HydrophobicContact CD2-CG 4.38Å; F907-F918 HydrophobicContact CE2-CB 4.38Å; F907-F918 AromaticContact CE2-CD1 3.51Å; F907-F918 HydrophobicContact CE2-CD1 3.51Å; F907-F918 AromaticContact CE2-CE1 3.96Å; F907-F918 HydrophobicContact CE2-CE1 3.96Å; F907-F918 AromaticContact CE2-CG 3.99Å; F907-F918 HydrophobicContact CE2-CG 3.99Å; F907-F918 HydrophobicContact CZ-CD1 4.48Å
908H94.4Very high92.8Very high48 Ų4844.8 Ų44.822%0.22223%0.231CC..Hα-helixtrans-67.7-24.8179.2-76.9-53.2000113.6Y865 E868 W904 V906 K915Y865-H908 AromaticContact CD1-CE1 3.84Å; Y865-H908 AromaticContact CE1-CE1 3.94Å; E868-H908 IonicContact OE2-CD2 3.11Å; E868-H908 IonicContact OE2-CE1 2.67Å; E868-H908 IonicContact OE2-NE2 3.19Å; E868-H908 PolarHBondContact OE2-NE2 3.46Å; W904-H908 WeakPolarHBondContact O-CB 3.25Å; W904-H908 PolarHBondContact O-CD2 2.78Å; W904-H908 PolarHBondContact O-N 2.84Å; V906-H908 VanDerWaalsContact C-N 3.34Å; V906-H908 PolarHBondContact O-N 3.2Å; H908-K915 PolarHBondContact O-NZ 2.84Å
909S93.4Very high92.9Very high85 Ų8541 Ų4159%0.59421%0.206SC*.Hα-helixtrans-77.3-15.6173.575.80000114.5E905 V906 F907E905-S909 WeakPolarHBondContact O-CB 3.35Å; E905-S909 PolarHBondContact O-N 2.83Å; E905-S909 PolarHBondContact O-OG 3.06Å; V906-S909 WeakPolarHBondContact O-CA 3.41Å; V906-S909 WeakPolarHBondContact O-CB 3.45Å; V906-S909 PolarHBondContact O-N 3.23Å; V906-S909 PolarHBondContact O-OG 3.06Å; F907-S909 PolarHBondContact O-N 3.15Å
910L93.4Very high92.7Very high14 Ų1443.7 Ų43.77%0.07322%0.22CC..SBendtrans-66.6148.9176.3-63178.5000111.8V906 F907 Q914 K915 I979V906-L910 PolarHBondContact O-N 3Å; F907-L910 HydrophobicContact CD2-CD1 4.31Å; F907-L910 VanDerWaalsContact O-CB 3.31Å; F907-L910 WeakPolarHBondContact O-CB 3.31Å; F907-L910 PolarHBondContact O-N 3.29Å; F907-L910 VanDerWaalsContact O-N 3.12Å; L910-Q914 HydrophobicContact CB-CB 3.93Å; L910-Q914 HydrophobicContact CD1-CB 4.46Å; L910-Q914 HydrophobicContact CD2-CB 4.31Å; L910-Q914 HydrophobicContact CG-CB 4.46Å; L910-K915 HydrophobicContact CB-CG 3.99Å; L910-K915 VanDerWaalsContact O-CE 3.28Å; L910-K915 WeakPolarHBondContact O-CE 3.48Å; L910-I979 HydrophobicContact CD1-CD1 4.24Å
911T93.9Very high92.4Very high78 Ų7844.8 Ų44.848%0.47923%0.225SC..  trans-66.4160.3170.870.30000110.9E913 Q914 K915T911-E913 PolarHBondContact O-N 3.13Å; T911-Q914 PolarHBondContact O-N 3.13Å; T911-Q914 VanDerWaalsContact O-N 3.12Å; T911-Q914 WeakPolarHBondContact OG1-CG 3.06Å; T911-Q914 PolarHBondContact OG1-N 3.09Å; T911-Q914 PolarHBondContact OG1-OE1 3.25Å; T911-K915 WeakPolarHBondContact O-CG 3.45Å; T911-K915 PolarHBondContact O-N 2.61Å
912N91.2Very high92.3Very high83 Ų8340.1 Ų40.144%0.44421%0.205SC..Hα-helixtrans-59.1-38.2178.4-167-56.7000111.6Q914 K915 K916N912-Q914 PolarHBondContact O-N 3.13Å; N912-K915 PolarHBondContact O-N 2.72Å; N912-K916 WeakPolarHBondContact O-CG 3.3Å; N912-K916 PolarHBondContact O-N 3.29Å; N912-K916 WeakPolarHBondContact OD1-CE 3.34Å
913E90.2Very high91.7Very high128 Ų12840.5 Ų40.560%0.59821%0.208SC*.Hα-helixtrans-62.2-42.5175.3-167.2-174.1157.800112.2T911 K916 K917T911-E913 PolarHBondContact O-N 3.13Å; E913-K916 WeakPolarHBondContact O-CB 3.36Å; E913-K916 PolarHBondContact O-N 2.8Å; E913-K917 WeakPolarHBondContact O-CG 3.43Å; E913-K917 PolarHBondContact O-N 3.44Å; E913-K917 IonicContact OE1-NZ 2.7Å
914Q92.4Very high90.9Very high46 Ų4642.7 Ų42.722%0.21523%0.231CC..Hα-helixtrans-66.2-36.5174.9-73.3172.9-45.200112.2L910 T911 N912 K917 F918L910-Q914 HydrophobicContact CB-CB 3.93Å; L910-Q914 HydrophobicContact CD1-CB 4.46Å; L910-Q914 HydrophobicContact CD2-CB 4.31Å; L910-Q914 HydrophobicContact CG-CB 4.46Å; T911-Q914 PolarHBondContact O-N 3.13Å; T911-Q914 VanDerWaalsContact O-N 3.12Å; T911-Q914 WeakPolarHBondContact OG1-CG 3.06Å; T911-Q914 PolarHBondContact OG1-N 3.09Å; T911-Q914 PolarHBondContact OG1-OE1 3.25Å; N912-Q914 PolarHBondContact O-N 3.13Å; Q914-K917 PolarHBondContact O-N 2.79Å; Q914-F918 PolarHBondContact O-N 2.61Å
915K94Very high90.2Very high22 Ų2243 Ų4310%0.09623%0.234CC..Hα-helixtrans-65.1-38.9174.2-68.5176.8-179.7170.40112.1W864 F907 H908 L910 T911 N912 F918 L919W864-K915 HydrophobicContact CB-CD 4.5Å; W864-K915 HydrophobicContact CD2-CB 4.11Å; W864-K915 HydrophobicContact CD2-CD 3.79Å; W864-K915 HydrophobicContact CD2-CG 4.48Å; W864-K915 HydrophobicContact CE3-CB 4.22Å; W864-K915 HydrophobicContact CE3-CD 4.42Å; W864-K915 HydrophobicContact CG-CD 3.8Å; W864-K915 HydrophobicContact CH2-CB 3.67Å; W864-K915 HydrophobicContact CZ2-CB 3.53Å; W864-K915 HydrophobicContact CZ3-CB 4Å; F907-K915 HydrophobicContact CE1-CD 4.27Å; F907-K915 HydrophobicContact CE1-CG 4.45Å; F907-K915 HydrophobicContact CE2-CG 4.15Å; F907-K915 HydrophobicContact CZ-CB 4.36Å; F907-K915 HydrophobicContact CZ-CD 4.25Å; F907-K915 HydrophobicContact CZ-CG 4.02Å; F907-K915 WeakPolarHBondContact O-CE 3.43Å; H908-K915 PolarHBondContact O-NZ 2.84Å; L910-K915 HydrophobicContact CB-CG 3.99Å; L910-K915 VanDerWaalsContact O-CE 3.28Å; L910-K915 WeakPolarHBondContact O-CE 3.48Å; T911-K915 WeakPolarHBondContact O-CG 3.45Å; T911-K915 PolarHBondContact O-N 2.61Å; N912-K915 PolarHBondContact O-N 2.72Å; K915-F918 WeakPolarHBondContact O-CB 3.3Å; K915-F918 PolarHBondContact O-N 3.06Å; K915-L919 PolarHBondContact O-N 3.25Å
916K90.7Very high89.8Confident47 Ų4741.3 Ų41.320%0.20423%0.228CC..Hα-helixtrans-61.7-45.7171.3-71.5-179.7175.1-163.90111.8E860 Y862 N912 E913 F918 L919 L920 D926E860-K916 IonicContact OE2-NZ 2.98Å; E860-K916 PolarHBondContact OE2-NZ 2.79Å; Y862-K916 HydrophobicContact CE2-CD 4.31Å; Y862-K916 HydrophobicContact CE2-CG 4.22Å; Y862-K916 WeakPolarHBondContact OH-CE 3.05Å; N912-K916 WeakPolarHBondContact O-CG 3.3Å; N912-K916 PolarHBondContact O-N 3.29Å; N912-K916 WeakPolarHBondContact OD1-CE 3.34Å; E913-K916 WeakPolarHBondContact O-CB 3.36Å; E913-K916 PolarHBondContact O-N 2.8Å; K916-F918 VanDerWaalsContact C-N 3.3Å; K916-F918 PolarHBondContact O-N 2.81Å; K916-L919 WeakPolarHBondContact O-CB 3.49Å; K916-L919 PolarHBondContact O-N 3.44Å; K916-L919 VanDerWaalsContact O-N 3.13Å; K916-L920 PolarHBondContact O-N 3.27Å; K916-D926 HydrophobicContact CB-CB 4.32Å
917K90.5Very high89.3Confident73 Ų7344.2 Ų44.232%0.31724%0.239SC..Hα-helixtrans-62.4-36.5174.7-67179-176.8177.20112E913 Q914 L920 F921 I979E913-K917 WeakPolarHBondContact O-CG 3.43Å; E913-K917 PolarHBondContact O-N 3.44Å; E913-K917 IonicContact OE1-NZ 2.7Å; Q914-K917 PolarHBondContact O-N 2.79Å; K917-L920 WeakPolarHBondContact O-CB 3.44Å; K917-L920 PolarHBondContact O-N 3.32Å; K917-F921 WeakPolarHBondContact O-CB 3.21Å; K917-F921 PolarHBondContact O-N 2.95Å; K917-I979 VanDerWaalsContact C-CG2 3.44Å; K917-I979 HydrophobicContact CB-CG2 3.23Å; K917-I979 HydrophobicContact CD-CG2 4.47Å; K917-I979 HydrophobicContact CG-CG2 4.46Å
918F93Very high88.8Confident0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-63.4-42172.5176.9-94.1000111.9F867 F903 F907 Q914 K915 K916 L920 F921 L922 M938 L960 L975 I979F867-F918 AromaticContact CE1-CE1 3.99Å; F867-F918 HydrophobicContact CE1-CE1 3.99Å; F903-F918 HydrophobicContact CE2-CE2 4.23Å; F903-F918 HydrophobicContact CE2-CZ 4.22Å; F903-F918 HydrophobicContact CZ-CE2 4.25Å; F903-F918 AromaticContact CZ-CZ 3.79Å; F903-F918 HydrophobicContact CZ-CZ 3.79Å; F907-F918 HydrophobicContact CD2-CD1 4.16Å; F907-F918 HydrophobicContact CD2-CE1 4.37Å; F907-F918 HydrophobicContact CD2-CG 4.38Å; F907-F918 HydrophobicContact CE2-CB 4.38Å; F907-F918 AromaticContact CE2-CD1 3.51Å; F907-F918 HydrophobicContact CE2-CD1 3.51Å; F907-F918 AromaticContact CE2-CE1 3.96Å; F907-F918 HydrophobicContact CE2-CE1 3.96Å; F907-F918 AromaticContact CE2-CG 3.99Å; F907-F918 HydrophobicContact CE2-CG 3.99Å; F907-F918 HydrophobicContact CZ-CD1 4.48Å; Q914-F918 PolarHBondContact O-N 2.61Å; K915-F918 WeakPolarHBondContact O-CB 3.3Å; K915-F918 PolarHBondContact O-N 3.06Å; K916-F918 VanDerWaalsContact C-N 3.3Å; K916-F918 PolarHBondContact O-N 2.81Å; F918-L920 VanDerWaalsContact C-N 3.32Å; F918-L920 PolarHBondContact O-N 3.06Å; F918-F921 HydrophobicContact CD2-CD1 4.3Å; F918-F921 HydrophobicContact CE2-CD1 4.42Å; F918-F921 WeakPolarHBondContact O-CB 3.48Å; F918-F921 PolarHBondContact O-N 3.1Å; F918-L922 HydrophobicContact CE1-CB 4.44Å; F918-L922 HydrophobicContact CE1-CD2 4.13Å; F918-L922 WeakPolarHBondContact O-CB 3.41Å; F918-L922 PolarHBondContact O-N 2.87Å; F918-M938 HydrophobicContact CE1-CE 4.17Å; F918-M938 HydrophobicContact CE1-SD 4.29Å; F918-M938 HydrophobicContact CZ-CE 3.59Å; F918-M938 HydrophobicContact CZ-SD 4.27Å; F918-L960 HydrophobicContact CE2-CD2 4.3Å; F918-L960 HydrophobicContact CZ-CD2 4.23Å; F918-L975 HydrophobicContact CD2-CD1 4.11Å; F918-L975 HydrophobicContact CE2-CD1 3.97Å; F918-I979 HydrophobicContact CB-CD1 3.8Å; F918-I979 HydrophobicContact CB-CG1 4.16Å; F918-I979 HydrophobicContact CD2-CD1 3.76Å; F918-I979 HydrophobicContact CD2-CG1 3.98Å; F918-I979 HydrophobicContact CG-CD1 4.27Å
919L89.6Confident88Confident1 Ų142.9 Ų42.91%0.00524%0.235CC..Hα-helixtrans-63.6-41.3177.3-171.664.7000111.5Y862 K915 K916 L922 T923 S925 I928 M933 I936Y862-L919 HydrophobicContact CE1-CD2 4.19Å; K915-L919 PolarHBondContact O-N 3.25Å; K916-L919 WeakPolarHBondContact O-CB 3.49Å; K916-L919 PolarHBondContact O-N 3.44Å; K916-L919 VanDerWaalsContact O-N 3.13Å; L919-L922 PolarHBondContact O-N 3.07Å; L919-T923 HydrophobicContact CD1-CG2 3.77Å; L919-T923 WeakPolarHBondContact O-CB 3.42Å; L919-T923 PolarHBondContact O-N 2.87Å; L919-T923 PolarHBondContact O-OG1 3.05Å; L919-S925 CarbonylContact C-O 3.49Å; L919-S925 WeakPolarHBondContact CG-O 3.43Å; L919-I928 HydrophobicContact CD2-CG2 3.72Å; L919-M933 HydrophobicContact CD1-CE 4.13Å; L919-M933 HydrophobicContact CD2-CE 4.5Å; L919-I936 HydrophobicContact CD1-CD1 4.03Å; L919-I936 HydrophobicContact CD1-CG2 4.36Å; L919-I936 HydrophobicContact CD2-CD1 4.36Å
920L87.5Confident87Confident60 Ų6044 Ų4431%0.31423%0.229SC..Hα-helixtrans-60-44.8171.8-178.761.6000111.8K916 K917 F918 L922 G924 S925 D926K916-L920 PolarHBondContact O-N 3.27Å; K917-L920 WeakPolarHBondContact O-CB 3.44Å; K917-L920 PolarHBondContact O-N 3.32Å; F918-L920 VanDerWaalsContact C-N 3.32Å; F918-L920 PolarHBondContact O-N 3.06Å; L920-L922 VanDerWaalsContact C-N 3.33Å; L920-L922 PolarHBondContact O-N 2.87Å; L920-G924 VanDerWaalsContact CD1-C 3.49Å; L920-G924 WeakPolarHBondContact CD1-O 3.39Å; L920-G924 WeakPolarHBondContact O-CA 3.35Å; L920-G924 PolarHBondContact O-N 3.12Å; L920-S925 VanDerWaalsContact CA-O 3.32Å; L920-S925 WeakPolarHBondContact CA-O 3.4Å; L920-S925 PolarHBondContact N-O 2.68Å; L920-S925 VanDerWaalsContact N-O 3.17Å; L920-D926 HydrophobicContact CB-CB 4.31Å
921F87.8Confident85.8Confident24 Ų2448.2 Ų48.211%0.10525%0.251CS..Hα-helixtrans-58.9-43.9175.5172.4-112.9000111.8K917 F918 A953 T955 L960 A978 I979 N982K917-F921 WeakPolarHBondContact O-CB 3.21Å; K917-F921 PolarHBondContact O-N 2.95Å; F918-F921 HydrophobicContact CD2-CD1 4.3Å; F918-F921 HydrophobicContact CE2-CD1 4.42Å; F918-F921 WeakPolarHBondContact O-CB 3.48Å; F918-F921 PolarHBondContact O-N 3.1Å; F921-A953 HydrophobicContact CD1-CB 3.83Å; F921-A953 HydrophobicContact CD2-CB 4.17Å; F921-A953 HydrophobicContact CE1-CB 3.58Å; F921-A953 HydrophobicContact CE2-CB 3.95Å; F921-A953 HydrophobicContact CG-CB 4.12Å; F921-A953 HydrophobicContact CZ-CB 3.65Å; F921-A953 WeakPolarHBondContact O-CB 3.36Å; F921-T955 PolarHBondContact O-OG1 3.19Å; F921-L960 HydrophobicContact CE1-CD1 3.77Å; F921-A978 HydrophobicContact CZ-CB 4.22Å; F921-I979 HydrophobicContact CD1-CG1 4.45Å; F921-N982 HydrophobicContact CD2-CB 3.82Å; F921-N982 HydrophobicContact CE2-CB 4.45Å
922L88.8Confident84.9Confident0 Ų045.2 Ų45.20%024%0.236CC..Hα-helixtrans-77.8-39.3-176.5-178.768.2000114.1F867 F918 L919 L920 M938 T955 L960F867-L922 HydrophobicContact CZ-CD2 3.74Å; F918-L922 HydrophobicContact CE1-CB 4.44Å; F918-L922 HydrophobicContact CE1-CD2 4.13Å; F918-L922 WeakPolarHBondContact O-CB 3.41Å; F918-L922 PolarHBondContact O-N 2.87Å; L919-L922 PolarHBondContact O-N 3.07Å; L920-L922 VanDerWaalsContact C-N 3.33Å; L920-L922 PolarHBondContact O-N 2.87Å; L922-M938 HydrophobicContact CD1-CE 4.07Å; L922-M938 HydrophobicContact CD1-CG 4.19Å; L922-M938 HydrophobicContact CD2-CB 3.9Å; L922-M938 HydrophobicContact CD2-CE 4.09Å; L922-M938 HydrophobicContact CD2-CG 3.6Å; L922-M938 HydrophobicContact CD2-SD 3.7Å; L922-T955 WeakPolarHBondContact O-CA 3.12Å; L922-L960 HydrophobicContact CD1-CB 4.21Å
923T80.7Confident84.4Confident32 Ų3241.3 Ų41.320%0.19622%0.215CC..Hα-helixtrans-121.1-12.4-166.371.60000113.8L919 S925 I936 T955L919-T923 HydrophobicContact CD1-CG2 3.77Å; L919-T923 WeakPolarHBondContact O-CB 3.42Å; L919-T923 PolarHBondContact O-N 2.87Å; L919-T923 PolarHBondContact O-OG1 3.05Å; T923-S925 PolarHBondContact O-N 2.79Å; T923-S925 PolarHBondContact OG1-N 2.87Å; T923-S925 PolarHBondContact OG1-O 2.73Å; T923-I936 HydrophobicContact CG2-CG2 3.87Å; T923-T955 WeakPolarHBondContact O-CG2 3.34Å
924G78.6Confident83.6Confident46 Ų4636.2 Ų36.247%0.47419%0.194SC..SBendtrans80.93.6-175.900000112.9L920L920-G924 VanDerWaalsContact CD1-C 3.49Å; L920-G924 WeakPolarHBondContact CD1-O 3.39Å; L920-G924 WeakPolarHBondContact O-CA 3.35Å; L920-G924 PolarHBondContact O-N 3.12Å
925S80Confident82.6Confident16 Ų1637.8 Ų37.811%0.11220%0.201CC..  trans-135.5143.7172.6-171.40000109.9L919 L920 T923 R927L919-S925 CarbonylContact C-O 3.49Å; L919-S925 WeakPolarHBondContact CG-O 3.43Å; L920-S925 VanDerWaalsContact CA-O 3.32Å; L920-S925 WeakPolarHBondContact CA-O 3.4Å; L920-S925 PolarHBondContact N-O 2.68Å; L920-S925 VanDerWaalsContact N-O 3.17Å; T923-S925 PolarHBondContact O-N 2.79Å; T923-S925 PolarHBondContact OG1-N 2.87Å; T923-S925 PolarHBondContact OG1-O 2.73Å; S925-R927 VanDerWaalsContact C-N 3.31Å; S925-R927 PolarHBondContact OG-N 2.94Å; S925-R927 VanDerWaalsContact OG-N 3.13Å
926D85.2Confident81.8Confident63 Ų6337.2 Ų37.234%0.33720%0.199SC..SBendtrans-88.7-0.4167.864.8-22.3000112.3Y862 K916 L920Y862-D926 VanDerWaalsContact CE1-O 3.28Å; Y862-D926 WeakPolarHBondContact CE1-O 3.44Å; Y862-D926 PolarHBondContact OH-O 2.96Å; K916-D926 HydrophobicContact CB-CB 4.32Å; L920-D926 HydrophobicContact CB-CB 4.31Å
927R84.4Confident81.4Confident62 Ų6240.9 Ų40.923%0.23422%0.215CC..SBendtrans-100.9158.3179.7-63.1-70.5-177.7131.3-9111.6I726 V857 N859 E860 S925I726-R927 HydrophobicContact CD1-CB 4.09Å; I726-R927 VanDerWaalsContact CD1-O 3.23Å; I726-R927 WeakPolarHBondContact CD1-O 3.39Å; V857-R927 WeakPolarHBondContact O-CB 3.12Å; N859-R927 WeakPolarHBondContact O-CD 3.48Å; E860-R927 IonicContact OE1-CZ 3.4Å; E860-R927 IonicContact OE1-NE 3.13Å; E860-R927 PolarHBondContact OE1-NE 3.18Å; E860-R927 IonicContact OE1-NH1 2.58Å; E860-R927 IonicContact OE1-NH2 3.96Å; E860-R927 PolarHBondContact OE1-NH2 3.47Å; S925-R927 VanDerWaalsContact C-N 3.31Å; S925-R927 PolarHBondContact OG-N 2.94Å; S925-R927 VanDerWaalsContact OG-N 3.13Å
928I84.4Confident81.2Confident0 Ų037.4 Ų37.40%020%0.2CC..BIsolated β-bridgetrans-114.1151.8177.771.7179.8000111.4G858 N859 H861 Y862 L919 M933 I936G858-I928 CarbonylContact C-O 3.49Å; G858-I928 WeakPolarHBondContact CA-O 3.38Å; N859-I928 PolarHBondContact N-O 3.21Å; N859-I928 PolarHBondContact O-N 2.87Å; N859-I928 VanDerWaalsContact O-N 3.12Å; N859-I928 WeakPolarHBondContact OD1-CD1 3.33Å; N859-I928 WeakPolarHBondContact OD1-CG1 3.36Å; H861-I928 VanDerWaalsContact O-CD1 3.23Å; H861-I928 WeakPolarHBondContact O-CD1 3.44Å; Y862-I928 HydrophobicContact CD1-CG2 3.76Å; Y862-I928 HydrophobicContact CE1-CG2 3.87Å; L919-I928 HydrophobicContact CD2-CG2 3.72Å; I928-M933 HydrophobicContact CD1-SD 4.41Å; I928-M933 HydrophobicContact CG2-SD 3.63Å; I928-I936 HydrophobicContact CB-CD1 3.79Å; I928-I936 HydrophobicContact CG2-CD1 3.5Å
929P78.9Confident81Confident21 Ų2138.4 Ų38.414%0.13621%0.205CC..  trans-58.1154.9174.7-25.436.6000112.7I726 L931 G932 Q935 I936I726-P929 HydrophobicContact CG2-CB 4.4Å; I726-P929 HydrophobicContact CG2-CG 4.44Å; P929-L931 PolarHBondContact O-N 2.87Å; P929-G932 PolarHBondContact O-N 2.86Å; P929-Q935 HydrophobicContact CB-CB 3.91Å; P929-Q935 HydrophobicContact CB-CG 4.16Å; P929-Q935 HydrophobicContact CG-CB 3.78Å; P929-I936 HydrophobicContact CG-CG1 4.46Å
930F72.2Confident81.1Confident108 Ų10838.4 Ų38.447%0.47421%0.205SC..THydrogen-bonded Turntrans-56.7-30.7-174.290.4-86.5000114.3L855 N859 G932L855-F930 HydrophobicContact CD2-CB 4.3Å; L855-F930 HydrophobicContact CD2-CD1 3.39Å; L855-F930 HydrophobicContact CD2-CD2 4.35Å; L855-F930 HydrophobicContact CD2-CE1 3.66Å; L855-F930 HydrophobicContact CD2-CG 3.76Å; L855-F930 HydrophobicContact CD2-CZ 4.25Å; N859-F930 PolarHBondContact ND2-O 3.02Å; F930-G932 PolarHBondContact O-N 3.21Å
931L67.2Low81.2Confident103 Ų10338.3 Ų38.354%0.53920%0.203SC..THydrogen-bonded Turntrans-74.8-0.5177.6-67.2171.6000113.9P929 Q935P929-L931 PolarHBondContact O-N 2.87Å; L931-Q935 HydrophobicContact CB-CG 3.65Å; L931-Q935 HydrophobicContact CD1-CG 4.31Å
932G74.8Confident81.2Confident15 Ų1538.5 Ų38.516%0.15521%0.207CC..  trans95.5-172.2176.500000114.5P929 F930 S934 Q935P929-G932 PolarHBondContact O-N 2.86Å; F930-G932 PolarHBondContact O-N 3.21Å; G932-S934 PolarHBondContact O-N 2.96Å; G932-Q935 PolarHBondContact O-N 2.92Å
933M80.5Confident80.9Confident1 Ų140.5 Ų40.51%0.00522%0.218CC..G310 helixtrans-62.3-31.2-169.4-156.374.5-175.100112.8D863 W864 E866 F867 C886 L919 I928 Q935 I936D863-M933 WeakPolarHBondContact O-CG 3.4Å; W864-M933 HydrophobicContact CE3-CE 3.8Å; W864-M933 HydrophobicContact CZ3-CE 3.55Å; E866-M933 HydrophobicContact CB-CB 4.43Å; F867-M933 HydrophobicContact CB-CE 3.79Å; F867-M933 HydrophobicContact CB-CG 3.75Å; F867-M933 HydrophobicContact CD1-CE 3.94Å; F867-M933 HydrophobicContact CD2-CE 3.31Å; F867-M933 HydrophobicContact CD2-CG 3.9Å; F867-M933 HydrophobicContact CD2-SD 4.39Å; F867-M933 HydrophobicContact CE1-CE 4.37Å; F867-M933 HydrophobicContact CE2-CE 3.81Å; F867-M933 HydrophobicContact CG-CE 3.39Å; F867-M933 HydrophobicContact CG-CG 4.16Å; F867-M933 HydrophobicContact CZ-CE 4.31Å; C886-M933 PolarHBondContact SG-O 2.93Å; L919-M933 HydrophobicContact CD1-CE 4.13Å; L919-M933 HydrophobicContact CD2-CE 4.5Å; I928-M933 HydrophobicContact CD1-SD 4.41Å; I928-M933 HydrophobicContact CG2-SD 3.63Å; M933-Q935 PolarHBondContact O-N 3.26Å; M933-I936 HydrophobicContact CE-CD1 4.26Å; M933-I936 PolarHBondContact O-N 2.76Å; M933-I936 HydrophobicContact SD-CD1 4.11Å
934S73.2Confident80.2Confident21 Ų2142.5 Ų42.515%0.14725%0.245CC..G310 helixtrans-51.1-23.6176.567.70000115.5E866 I884 C886 G932 I936E866-S934 PolarHBondContact OE2-N 2.93Å; I884-S934 WeakPolarHBondContact CG2-O 3.25Å; C886-S934 VanDerWaalsContact SG-CA 3.51Å; G932-S934 PolarHBondContact O-N 2.96Å; S934-I936 VanDerWaalsContact C-N 3.33Å
935Q72.1Confident79.6Confident78 Ų7842.5 Ų42.536%0.36425%0.245SC..G310 helixtrans-78.8-16.8179.3-61.4-53.1-66.200113.5P929 L931 G932 M933 K937P929-Q935 HydrophobicContact CB-CB 3.91Å; P929-Q935 HydrophobicContact CB-CG 4.16Å; P929-Q935 HydrophobicContact CG-CB 3.78Å; L931-Q935 HydrophobicContact CB-CG 3.65Å; L931-Q935 HydrophobicContact CD1-CG 4.31Å; G932-Q935 PolarHBondContact O-N 2.92Å; M933-Q935 PolarHBondContact O-N 3.26Å; Q935-K937 PolarHBondContact O-N 2.86Å
936I77.7Confident79.3Confident11 Ų1143.4 Ų43.46%0.05626%0.258CS..  trans-90.2110.8-179.4-60.2160.5000108.6F867 C886 L919 T923 I928 P929 M933 S934F867-I936 HydrophobicContact CE2-CB 4.24Å; F867-I936 HydrophobicContact CE2-CG2 3.77Å; C886-I936 WeakPolarHBondContact CA-O 3.37Å; C886-I936 WeakPolarHBondContact CB-O 3.42Å; L919-I936 HydrophobicContact CD1-CD1 4.03Å; L919-I936 HydrophobicContact CD1-CG2 4.36Å; L919-I936 HydrophobicContact CD2-CD1 4.36Å; T923-I936 HydrophobicContact CG2-CG2 3.87Å; I928-I936 HydrophobicContact CB-CD1 3.79Å; I928-I936 HydrophobicContact CG2-CD1 3.5Å; P929-I936 HydrophobicContact CG-CG1 4.46Å; M933-I936 HydrophobicContact CE-CD1 4.26Å; M933-I936 PolarHBondContact O-N 2.76Å; M933-I936 HydrophobicContact SD-CD1 4.11Å; S934-I936 VanDerWaalsContact C-N 3.33Å
937K81.2Confident78.9Confident123 Ų12342.3 Ų42.354%0.53526%0.255SS..  trans-97104.3176.3-64.5-174.9-178.9-177.60110.4C886 Q935 N958C886-K937 CarbonylContact O-C 3.58Å; C886-K937 WeakPolarHBondContact O-CA 3.37Å; Q935-K937 PolarHBondContact O-N 2.86Å; K937-N958 WeakPolarHBondContact O-CB 3.27Å; K937-N958 PolarHBondContact O-ND2 2.94Å
938M87.9Confident78.7Confident1 Ų145.4 Ų45.41%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-85.9139.5170.3-177.6177.2-171.400110.7F867 C886 T887 E888 F903 F918 L922 I940 N958 L960F867-M938 HydrophobicContact CE1-SD 3.92Å; F867-M938 HydrophobicContact CE2-CB 4.18Å; F867-M938 HydrophobicContact CZ-CB 3.94Å; F867-M938 HydrophobicContact CZ-CG 4.43Å; F867-M938 HydrophobicContact CZ-SD 3.81Å; C886-M938 PolarHBondContact O-N 3.49Å; T887-M938 CarbonylContact C-O 3.34Å; T887-M938 WeakPolarHBondContact CA-O 3.44Å; E888-M938 PolarHBondContact N-O 2.95Å; F903-M938 HydrophobicContact CZ-CE 4.13Å; F918-M938 HydrophobicContact CE1-CE 4.17Å; F918-M938 HydrophobicContact CE1-SD 4.29Å; F918-M938 HydrophobicContact CZ-CE 3.59Å; F918-M938 HydrophobicContact CZ-SD 4.27Å; L922-M938 HydrophobicContact CD1-CE 4.07Å; L922-M938 HydrophobicContact CD1-CG 4.19Å; L922-M938 HydrophobicContact CD2-CB 3.9Å; L922-M938 HydrophobicContact CD2-CE 4.09Å; L922-M938 HydrophobicContact CD2-CG 3.6Å; L922-M938 HydrophobicContact CD2-SD 3.7Å; M938-I940 HydrophobicContact CE-CD1 3.62Å; M938-I940 HydrophobicContact CE-CG1 3.62Å; M938-I940 HydrophobicContact CG-CG1 4.21Å; M938-I940 HydrophobicContact SD-CD1 4.1Å; M938-I940 HydrophobicContact SD-CG1 4.15Å; M938-N958 CarbonylContact C-O 3.56Å; M938-N958 WeakPolarHBondContact CA-O 3.41Å; M938-L960 HydrophobicContact CE-CB 3.43Å; M938-L960 VanDerWaalsContact CE-CB 3.43Å; M938-L960 HydrophobicContact CE-CD2 3.4Å; M938-L960 VanDerWaalsContact CE-CD2 3.4Å; M938-L960 HydrophobicContact CE-CG 4.01Å
939I88.1Confident78.7Confident21 Ų2152 Ų5211%0.10830%0.302CS..EExtended strand (participates in β ladder)trans-115.6132.3168.9-63.6157.5000107.9E888 R890 N958 L959 L960E888-I939 HydrophobicContact CB-CG1 4.05Å; E888-I939 CarbonylContact O-C 3.6Å; E888-I939 WeakPolarHBondContact O-CA 3.35Å; R890-I939 HydrophobicContact CG-CG2 3.8Å; I939-N958 PolarHBondContact N-O 2.8Å; I939-L959 HydrophobicContact CB-CB 4.2Å; I939-L959 HydrophobicContact CB-CD1 4.34Å; I939-L959 HydrophobicContact CB-CG 4.14Å; I939-L959 HydrophobicContact CG2-CD1 3.94Å; I939-L959 HydrophobicContact CG2-CG 4.04Å; I939-L959 CarbonylContact O-C 3.56Å; I939-L959 WeakPolarHBondContact O-CA 3.41Å; I939-L960 PolarHBondContact O-N 3.04Å
940I92.1Very high79.1Confident0 Ų055.6 Ų55.60%031%0.314CS..EExtended strand (participates in β ladder)trans-114.9128171.9-45.8-167.4000109.2T887 E888 Y889 R890 Y893 I900 F903 M938 L960 L962T887-I940 HydrophobicContact CG2-CD1 4.03Å; T887-I940 HydrophobicContact CG2-CG1 3.94Å; E888-I940 PolarHBondContact O-N 2.73Å; Y889-I940 WeakPolarHBondContact CA-O 3.3Å; Y889-I940 HydrophobicContact CD1-CB 3.98Å; Y889-I940 HydrophobicContact CD1-CD1 4.49Å; Y889-I940 HydrophobicContact CD1-CG1 4.34Å; Y889-I940 HydrophobicContact CE1-CB 4.34Å; Y889-I940 HydrophobicContact CE1-CD1 3.98Å; Y889-I940 HydrophobicContact CE1-CG1 4.25Å; R890-I940 PolarHBondContact N-O 2.81Å; Y893-I940 HydrophobicContact CD2-CG2 4.05Å; Y893-I940 HydrophobicContact CE2-CG2 4.34Å; I900-I940 HydrophobicContact CD1-CB 4.49Å; I900-I940 HydrophobicContact CD1-CG2 3.97Å; F903-I940 HydrophobicContact CD1-CD1 4Å; F903-I940 HydrophobicContact CE1-CD1 3.68Å; F903-I940 HydrophobicContact CZ-CD1 4.15Å; M938-I940 HydrophobicContact CE-CD1 3.62Å; M938-I940 HydrophobicContact CE-CG1 3.62Å; M938-I940 HydrophobicContact CG-CG1 4.21Å; M938-I940 HydrophobicContact SD-CD1 4.1Å; M938-I940 HydrophobicContact SD-CG1 4.15Å; I940-L960 WeakPolarHBondContact CA-O 3.25Å; I940-L960 HydrophobicContact CD1-CD2 4.48Å; I940-L962 HydrophobicContact CG2-CB 3.7Å; I940-L962 HydrophobicContact CG2-CD2 3.88Å; I940-L962 HydrophobicContact CG2-CG 4.45Å
941Q88.9Confident80Confident58 Ų5850.7 Ų50.727%0.27129%0.292SS..EExtended strand (participates in β ladder)trans-133.2150.8177.376.9-179.112.300111.9R890 L959 L960 D961 L962R890-Q941 HydrophobicContact CB-CB 3.9Å; Q941-L959 HydrophobicContact CG-CD2 3.97Å; Q941-L959 HydrophobicContact CG-CG 4.48Å; Q941-L960 PolarHBondContact N-O 3.05Å; Q941-D961 VanDerWaalsContact CD-OD1 3.27Å; Q941-D961 WeakPolarHBondContact CG-OD1 3.3Å; Q941-D961 PolarHBondContact NE2-OD1 3.37Å; Q941-L962 PolarHBondContact O-N 2.91Å
942P87.9Confident81.1Confident29 Ų2948.6 Ų48.619%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-75.6144.6177.930.2-34.6000111.5R890 E892 Y893R890-P942 WeakPolarHBondContact O-CD 3.14Å; E892-P942 HydrophobicContact CB-CG 4.2Å; Y893-P942 HydrophobicContact CD1-CB 4.45Å; Y893-P942 HydrophobicContact CD2-CB 4.04Å; Y893-P942 HydrophobicContact CD2-CG 4.32Å; Y893-P942 HydrophobicContact CE1-CB 4.09Å; Y893-P942 HydrophobicContact CE2-CB 3.63Å; Y893-P942 HydrophobicContact CE2-CG 4.39Å; Y893-P942 VanDerWaalsContact CE2-N 3.34Å; Y893-P942 HydrophobicContact CG-CB 4.43Å
943T83.5Confident81.8Confident41 Ų4148.7 Ų48.725%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-111152.2168.846.50000112.3D961 P963T943-D961 HydrophobicContact CG2-CB 3.42Å; T943-D961 VanDerWaalsContact CG2-CB 3.42Å; T943-D961 VanDerWaalsContact CG2-CG 3.42Å; T943-P963 WeakPolarHBondContact OG1-CA 3.48Å
944G65.9Low81.9Confident74 Ų7452.5 Ų52.576%0.76330%0.301SS*.SBendtrans-74.2154.2167.500000111.2
945G66Low82.1Confident46 Ų4654 Ų5447%0.47431%0.309SS..SBendtrans124.3-19.8175.500000115.4Y949G945-Y949 VanDerWaalsContact C-CD2 3.44Å; G945-Y949 WeakPolarHBondContact O-CD2 3.22Å; G945-Y949 WeakPolarHBondContact O-CE2 3.34Å
946G73.5Confident82.1Confident36 Ų3654.5 Ų54.537%0.37132%0.32SS..  trans85.1-173.3-179.900000113.6D948 P963G946-D948 PolarHBondContact O-N 2.96Å; G946-D948 VanDerWaalsContact O-N 3.12Å; G946-P963 WeakPolarHBondContact O-CB 3.49Å
947S76.9Confident82Confident40 Ų4061 Ų6128%0.2835%0.349SS..THydrogen-bonded Turntrans-69.8-3.3-172.851.40000115.3F965 K974S947-F965 VanDerWaalsContact O-CE1 3.23Å; S947-F965 WeakPolarHBondContact O-CE1 3.36Å; S947-K974 VanDerWaalsContact O-CE 3.22Å; S947-K974 WeakPolarHBondContact O-CE 3.39Å
948D79Confident82.2Confident126 Ų12657.1 Ų57.167%0.67433%0.334SS*.THydrogen-bonded Turntrans-81.9-18.2-178.3-61.3-25.5000112.6G946 K974G946-D948 PolarHBondContact O-N 2.96Å; G946-D948 VanDerWaalsContact O-N 3.12Å; D948-K974 VanDerWaalsContact O-CE 3.31Å; D948-K974 WeakPolarHBondContact O-CE 3.38Å; D948-K974 PolarHBondContact O-NZ 2.97Å
949Y84.8Confident82.1Confident139 Ų13957.8 Ų57.855%0.54534%0.337SS..SBendtrans-84.9153.2-178.9-70.8-97.1000112.2G945 K974G945-Y949 VanDerWaalsContact C-CD2 3.44Å; G945-Y949 WeakPolarHBondContact O-CD2 3.22Å; G945-Y949 WeakPolarHBondContact O-CE2 3.34Å; Y949-K974 WeakPolarHBondContact O-CD 3.5Å
950Y88.3Confident82.4Confident97 Ų9756.8 Ų56.838%0.3833%0.332SS..PPolyproline II helixtrans-82.2149.5175.2-72.5-84.7000111.6K974 E977 A978Y950-K974 HydrophobicContact CD1-CB 3.91Å; Y950-K974 HydrophobicContact CD1-CD 4.48Å; Y950-K974 HydrophobicContact CD1-CG 4.1Å; Y950-K974 HydrophobicContact CE1-CB 4.04Å; Y950-K974 HydrophobicContact CE1-CD 4.5Å; Y950-K974 HydrophobicContact CE1-CG 3.86Å; Y950-E977 HydrophobicContact CE1-CB 3.93Å; Y950-E977 WeakPolarHBondContact CE1-OE2 3.15Å; Y950-E977 VanDerWaalsContact CZ-OE2 3.26Å; Y950-E977 PolarHBondContact OH-OE2 3.25Å; Y950-A978 HydrophobicContact CD1-CB 4.49Å
951P91.1Very high82.3Confident4 Ų457.8 Ų57.83%0.02634%0.337CS..PPolyproline II helixtrans-58.8138.8163.2-20.132.5000110.7L960 D961 L962 L971 L975P951-L960 HydrophobicContact CB-CD1 4.09Å; P951-D961 VanDerWaalsContact CA-O 3.3Å; P951-D961 WeakPolarHBondContact CA-O 3.35Å; P951-L962 HydrophobicContact CB-CD1 4.31Å; P951-L962 HydrophobicContact CG-CD1 4.1Å; P951-L971 HydrophobicContact CG-CD1 4.48Å; P951-L975 HydrophobicContact CB-CD1 4.39Å; P951-L975 HydrophobicContact CG-CD1 4.22Å
952V89.7Confident82.5Confident60 Ų6055 Ų5536%0.36432%0.324SS..EExtended strand (participates in β ladder)trans-125.4130.9-179.1179.40000109.7D961V952-D961 HydrophobicContact CB-CB 4.14Å; V952-D961 PolarHBondContact N-O 2.7Å; V952-D961 WeakPolarHBondContact O-CB 3.39Å; V952-D961 PolarHBondContact O-N 2.98Å
953A88.9Confident82.7Confident17 Ų1753.7 Ų53.714%0.1432%0.315CS..EExtended strand (participates in β ladder)trans-100.1126.2175.500000111.3F921 T955 L959F921-A953 HydrophobicContact CD1-CB 3.83Å; F921-A953 HydrophobicContact CD2-CB 4.17Å; F921-A953 HydrophobicContact CE1-CB 3.58Å; F921-A953 HydrophobicContact CE2-CB 3.95Å; F921-A953 HydrophobicContact CG-CB 4.12Å; F921-A953 HydrophobicContact CZ-CB 3.65Å; F921-A953 WeakPolarHBondContact O-CB 3.36Å; A953-T955 PolarHBondContact O-N 3.19Å; A953-L959 CarbonylContact C-O 3.46Å; A953-L959 WeakPolarHBondContact CA-O 3.3Å
954H83.6Confident82.9Confident80 Ų8055.5 Ų55.537%0.3732%0.32SS..EExtended strand (participates in β ladder)trans-90.383.4164.5-61-93.7000108.2C956 F957 N958 L959 D961H954-C956 PolarHBondContact O-N 3.19Å; H954-F957 HydrophobicContact CB-CD2 4.13Å; H954-F957 PolarHBondContact O-N 2.98Å; H954-N958 PolarHBondContact O-N 3.1Å; H954-L959 HydrophobicContact CB-CB 4.24Å; H954-L959 HydrophobicContact CB-CD2 4.45Å; H954-L959 WeakPolarHBondContact CD2-CD2 3.36Å; H954-L959 PolarHBondContact N-O 3.13Å; H954-L959 PolarHBondContact O-N 2.92Å; H954-D961 IonicContact CD2-OD2 3.99Å; H954-D961 IonicContact CE1-OD2 2.79Å; H954-D961 IonicContact NE2-OD2 3.51Å; H954-D961 PolarHBondContact NE2-OD2 3.2Å
955T78Confident84Confident54 Ų5452.2 Ų52.233%0.33129%0.285SS..G310 helixtrans-53.3-33.5-170.5-43.60000113.9F921 L922 T923 A953 F957 N958F921-T955 PolarHBondContact O-OG1 3.19Å; L922-T955 WeakPolarHBondContact O-CA 3.12Å; T923-T955 WeakPolarHBondContact O-CG2 3.34Å; A953-T955 PolarHBondContact O-N 3.19Å; T955-F957 PolarHBondContact O-N 3.14Å; T955-N958 PolarHBondContact O-N 2.83Å; T955-N958 PolarHBondContact O-OD1 2.8Å
956C70.3Confident84.9Confident88 Ų8856.7 Ų56.760%0.59530%0.298SS*.G310 helixtrans-69.2-18179.3-58.20000114K660 H954K660-C956 PolarHBondContact NZ-SG 2.84Å; H954-C956 PolarHBondContact O-N 3.19Å
957F75.8Confident85.7Confident148 Ų14856.9 Ų56.965%0.64929%0.294SS*.G310 helixtrans-1193.8-177.5-57.4-75.4000112.5H954 T955 L959H954-F957 HydrophobicContact CB-CD2 4.13Å; H954-F957 PolarHBondContact O-N 2.98Å; T955-F957 PolarHBondContact O-N 3.14Å; F957-L959 HydrophobicContact CB-CB 4.03Å; F957-L959 PolarHBondContact O-N 2.93Å; F957-L959 VanDerWaalsContact O-N 3.13Å
958N85.1Confident86.4Confident41 Ų4159.5 Ų59.522%0.21930%0.3CS..THydrogen-bonded Turntrans47.537.2-170.4-59.9-24.5000112.1K937 M938 I939 H954 T955K937-N958 WeakPolarHBondContact O-CB 3.27Å; K937-N958 PolarHBondContact O-ND2 2.94Å; M938-N958 CarbonylContact C-O 3.56Å; M938-N958 WeakPolarHBondContact CA-O 3.41Å; I939-N958 PolarHBondContact N-O 2.8Å; H954-N958 PolarHBondContact O-N 3.1Å; T955-N958 PolarHBondContact O-N 2.83Å; T955-N958 PolarHBondContact O-OD1 2.8Å
959L87.8Confident86.9Confident15 Ų1556.7 Ų56.78%0.07929%0.294CS..EExtended strand (participates in β ladder)trans-106125.8-173.5-178.9155.6000109.5I939 Q941 A953 H954 F957 D961I939-L959 HydrophobicContact CB-CB 4.2Å; I939-L959 HydrophobicContact CB-CD1 4.34Å; I939-L959 HydrophobicContact CB-CG 4.14Å; I939-L959 HydrophobicContact CG2-CD1 3.94Å; I939-L959 HydrophobicContact CG2-CG 4.04Å; I939-L959 CarbonylContact O-C 3.56Å; I939-L959 WeakPolarHBondContact O-CA 3.41Å; Q941-L959 HydrophobicContact CG-CD2 3.97Å; Q941-L959 HydrophobicContact CG-CG 4.48Å; A953-L959 CarbonylContact C-O 3.46Å; A953-L959 WeakPolarHBondContact CA-O 3.3Å; H954-L959 HydrophobicContact CB-CB 4.24Å; H954-L959 HydrophobicContact CB-CD2 4.45Å; H954-L959 WeakPolarHBondContact CD2-CD2 3.36Å; H954-L959 PolarHBondContact N-O 3.13Å; H954-L959 PolarHBondContact O-N 2.92Å; F957-L959 HydrophobicContact CB-CB 4.03Å; F957-L959 PolarHBondContact O-N 2.93Å; F957-L959 VanDerWaalsContact O-N 3.13Å; L959-D961 WeakPolarHBondContact CD2-OD1 2.97Å
960L92.9Very high87.3Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-102.8112.3174.2-175.271.1000109.9F903 F918 F921 L922 M938 I939 I940 Q941 P951 L962F903-L960 HydrophobicContact CD2-CD2 4.48Å; F903-L960 HydrophobicContact CE2-CD2 3.73Å; F903-L960 HydrophobicContact CZ-CD2 4.06Å; F918-L960 HydrophobicContact CE2-CD2 4.3Å; F918-L960 HydrophobicContact CZ-CD2 4.23Å; F921-L960 HydrophobicContact CE1-CD1 3.77Å; L922-L960 HydrophobicContact CD1-CB 4.21Å; M938-L960 HydrophobicContact CE-CB 3.43Å; M938-L960 VanDerWaalsContact CE-CB 3.43Å; M938-L960 HydrophobicContact CE-CD2 3.4Å; M938-L960 VanDerWaalsContact CE-CD2 3.4Å; M938-L960 HydrophobicContact CE-CG 4.01Å; I939-L960 PolarHBondContact O-N 3.04Å; I940-L960 WeakPolarHBondContact CA-O 3.25Å; I940-L960 HydrophobicContact CD1-CD2 4.48Å; Q941-L960 PolarHBondContact N-O 3.05Å; P951-L960 HydrophobicContact CB-CD1 4.09Å; L960-L962 HydrophobicContact CD2-CB 4.42Å; L960-L962 HydrophobicContact CG-CB 4.44Å; L960-L962 PolarHBondContact O-N 3.21Å
961D91.4Very high87.5Confident21 Ų2147.8 Ų47.811%0.11226%0.264CS..EExtended strand (participates in β ladder)trans-75.1107.1163.7-85.9-15.8000108.6Q941 T943 P951 V952 H954 L959Q941-D961 VanDerWaalsContact CD-OD1 3.27Å; Q941-D961 WeakPolarHBondContact CG-OD1 3.3Å; Q941-D961 PolarHBondContact NE2-OD1 3.37Å; T943-D961 HydrophobicContact CG2-CB 3.42Å; T943-D961 VanDerWaalsContact CG2-CB 3.42Å; T943-D961 VanDerWaalsContact CG2-CG 3.42Å; P951-D961 VanDerWaalsContact CA-O 3.3Å; P951-D961 WeakPolarHBondContact CA-O 3.35Å; V952-D961 HydrophobicContact CB-CB 4.14Å; V952-D961 PolarHBondContact N-O 2.7Å; V952-D961 WeakPolarHBondContact O-CB 3.39Å; V952-D961 PolarHBondContact O-N 2.98Å; H954-D961 IonicContact CD2-OD2 3.99Å; H954-D961 IonicContact CE1-OD2 2.79Å; H954-D961 IonicContact NE2-OD2 3.51Å; H954-D961 PolarHBondContact NE2-OD2 3.2Å; L959-D961 WeakPolarHBondContact CD2-OD1 2.97Å
962L93Very high87.6Confident0 Ų049 Ų490%027%0.274CS..EExtended strand (participates in β ladder)trans-112.4111.5-176.8-178.667.1000109.8Y893 T899 I900 F903 I940 Q941 P951 L960 F965 L971Y893-L962 HydrophobicContact CE2-CB 3.99Å; Y893-L962 HydrophobicContact CE2-CD2 4.39Å; Y893-L962 HydrophobicContact CE2-CG 4.38Å; Y893-L962 WeakPolarHBondContact CE2-O 3.44Å; Y893-L962 VanDerWaalsContact CZ-O 3.3Å; Y893-L962 PolarHBondContact OH-O 2.63Å; T899-L962 HydrophobicContact CG2-CD2 4.01Å; T899-L962 HydrophobicContact CG2-CG 4.28Å; I900-L962 HydrophobicContact CD1-CD2 4.12Å; F903-L962 HydrophobicContact CB-CD2 3.99Å; F903-L962 HydrophobicContact CD2-CD1 4.35Å; F903-L962 HydrophobicContact CD2-CD2 4.07Å; F903-L962 HydrophobicContact CG-CD2 4.1Å; I940-L962 HydrophobicContact CG2-CB 3.7Å; I940-L962 HydrophobicContact CG2-CD2 3.88Å; I940-L962 HydrophobicContact CG2-CG 4.45Å; Q941-L962 PolarHBondContact O-N 2.91Å; P951-L962 HydrophobicContact CB-CD1 4.31Å; P951-L962 HydrophobicContact CG-CD1 4.1Å; L960-L962 HydrophobicContact CD2-CB 4.42Å; L960-L962 HydrophobicContact CG-CB 4.44Å; L960-L962 PolarHBondContact O-N 3.21Å; L962-F965 HydrophobicContact CD1-CD2 4.33Å; L962-F965 HydrophobicContact CD1-CE2 4.18Å; L962-L971 HydrophobicContact CD1-CD1 3.75Å
963P91.1Very high87.7Confident0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-58.9156.3173-24.532.5000112.7Y893 T943 G946 F965Y893-P963 PolarHBondContact OH-O 2.96Å; Y893-P963 VanDerWaalsContact OH-O 3.11Å; T943-P963 WeakPolarHBondContact OG1-CA 3.48Å; G946-P963 WeakPolarHBondContact O-CB 3.49Å; P963-F965 HydrophobicContact CB-CD2 4.44Å; P963-F965 HydrophobicContact CB-CE2 3.76Å; P963-F965 HydrophobicContact CB-CZ 4.03Å; P963-F965 HydrophobicContact CG-CE2 4.12Å; P963-F965 HydrophobicContact CG-CZ 4.31Å; P963-F965 WeakPolarHBondContact O-CD2 3.22Å; P963-F965 WeakPolarHBondContact O-CE2 3.34Å; P963-F965 PolarHBondContact O-N 3Å; P963-F965 VanDerWaalsContact O-N 3.14Å
964K88.8Confident87.8Confident80 Ų8052.2 Ų52.235%0.34828%0.282SS..  trans-75.1106.1179.5-68.4-178.1-170.31700110.4E892 Y893E892-K964 IonicContact OE1-NZ 3.76Å; E892-K964 PolarHBondContact OE1-NZ 2.92Å; E892-K964 IonicContact OE2-NZ 2.84Å; E892-K964 PolarHBondContact OE2-NZ 2.74Å; Y893-K964 HydrophobicContact CE1-CG 4.07Å; Y893-K964 WeakPolarHBondContact OH-CA 3.44Å; Y893-K964 WeakPolarHBondContact OH-CG 3.5Å; Y893-K964 PolarHBondContact OH-N 3.47Å
965F87.3Confident88.2Confident4 Ų448.4 Ų48.42%0.01827%0.265CS..  trans-99.6140.1174.1-64.8-83.1000111.8T899 S947 L962 P963 V970 L971 K974T899-F965 HydrophobicContact CG2-CB 4.19Å; T899-F965 HydrophobicContact CG2-CD2 4.36Å; T899-F965 PolarHBondContact OG1-N 2.93Å; T899-F965 PolarHBondContact OG1-O 2.84Å; S947-F965 VanDerWaalsContact O-CE1 3.23Å; S947-F965 WeakPolarHBondContact O-CE1 3.36Å; L962-F965 HydrophobicContact CD1-CD2 4.33Å; L962-F965 HydrophobicContact CD1-CE2 4.18Å; P963-F965 HydrophobicContact CB-CD2 4.44Å; P963-F965 HydrophobicContact CB-CE2 3.76Å; P963-F965 HydrophobicContact CB-CZ 4.03Å; P963-F965 HydrophobicContact CG-CE2 4.12Å; P963-F965 HydrophobicContact CG-CZ 4.31Å; P963-F965 WeakPolarHBondContact O-CD2 3.22Å; P963-F965 WeakPolarHBondContact O-CE2 3.34Å; P963-F965 PolarHBondContact O-N 3Å; P963-F965 VanDerWaalsContact O-N 3.14Å; F965-V970 HydrophobicContact CD1-CB 4.42Å; F965-V970 HydrophobicContact CD1-CG1 3.99Å; F965-V970 HydrophobicContact CE1-CG1 3.86Å; F965-L971 HydrophobicContact CB-CB 4.13Å; F965-L971 HydrophobicContact CD1-CB 4.27Å; F965-L971 HydrophobicContact CD2-CB 4.2Å; F965-L971 HydrophobicContact CD2-CD1 3.51Å; F965-L971 HydrophobicContact CD2-CG 4.28Å; F965-L971 HydrophobicContact CE2-CD1 3.59Å; F965-L971 HydrophobicContact CG-CB 3.93Å; F965-L971 HydrophobicContact CG-CD1 4.14Å; F965-L971 HydrophobicContact CG-CG 4.5Å; F965-L971 HydrophobicContact CZ-CD1 4.31Å; F965-K974 HydrophobicContact CE1-CD 3.87Å; F965-K974 HydrophobicContact CZ-CD 3.94Å
966N86.3Confident88.9Confident141 Ų14147.4 Ų47.475%0.75426%0.258SS*.SBendtrans-109.6-9.4170.660.2-0.2000112.7
967S89.1Confident89.8Confident40 Ų4046.1 Ų46.128%0.2824%0.243SC..  trans-119.9125.9-179.1175.80000111A969 L971S967-A969 VanDerWaalsContact C-N 3.33Å; S967-A969 PolarHBondContact O-N 2.82Å; S967-A969 PolarHBondContact OG-N 3.27Å; S967-L971 PolarHBondContact O-N 3.48Å
968K91.4Very high90.4Very high95 Ų9539.7 Ų39.741%0.41322%0.218SC..Hα-helixtrans-62-38.7175.4-175.7175.2-177.9165.80112.9I902 E905 V906 A972I902-K968 VanDerWaalsContact CG2-CA 3.45Å; I902-K968 HydrophobicContact CG2-CB 3.83Å; I902-K968 HydrophobicContact CG2-CG 4.11Å; E905-K968 WeakPolarHBondContact OE2-CE 3.4Å; E905-K968 IonicContact OE2-NZ 2.59Å; E905-K968 PolarHBondContact OE2-NZ 3.22Å; V906-K968 HydrophobicContact CG2-CG 3.78Å; K968-A972 WeakPolarHBondContact O-CB 3.45Å; K968-A972 PolarHBondContact O-N 2.97Å
969A91Very high90.6Very high67 Ų6738 Ų3855%0.55421%0.209SC*.Hα-helixtrans-64.6-46-179.100000111.7S967 A972 E973S967-A969 VanDerWaalsContact C-N 3.33Å; S967-A969 PolarHBondContact O-N 2.82Å; S967-A969 PolarHBondContact OG-N 3.27Å; A969-A972 PolarHBondContact O-N 3.18Å; A969-E973 PolarHBondContact O-N 3.24Å
970V91.6Very high90.5Very high49 Ų4941.8 Ų41.830%0.29723%0.226SC..Hα-helixtrans-66.4-41.2-179.1-179.50000111.3F965 K974F965-V970 HydrophobicContact CD1-CB 4.42Å; F965-V970 HydrophobicContact CD1-CG1 3.99Å; F965-V970 HydrophobicContact CE1-CG1 3.86Å; V970-K974 HydrophobicContact CG1-CD 4.29Å; V970-K974 WeakPolarHBondContact O-CB 3.45Å; V970-K974 PolarHBondContact O-N 3.32Å
971L93.2Very high89.8Confident0 Ų050.5 Ų50.50%026%0.26CS..Hα-helixtrans-64.5-42.4175.3177.561000111.5I902 F903 V906 P951 L962 F965 S967 L975I902-L971 HydrophobicContact CB-CD2 4.37Å; I902-L971 HydrophobicContact CG2-CB 4.31Å; I902-L971 HydrophobicContact CG2-CD2 3.75Å; F903-L971 VanDerWaalsContact CA-CD2 3.45Å; F903-L971 HydrophobicContact CB-CD2 3.92Å; V906-L971 HydrophobicContact CG2-CD2 4.29Å; V906-L971 HydrophobicContact CG2-CG 4.34Å; P951-L971 HydrophobicContact CG-CD1 4.48Å; L962-L971 HydrophobicContact CD1-CD1 3.75Å; F965-L971 HydrophobicContact CB-CB 4.13Å; F965-L971 HydrophobicContact CD1-CB 4.27Å; F965-L971 HydrophobicContact CD2-CB 4.2Å; F965-L971 HydrophobicContact CD2-CD1 3.51Å; F965-L971 HydrophobicContact CD2-CG 4.28Å; F965-L971 HydrophobicContact CE2-CD1 3.59Å; F965-L971 HydrophobicContact CG-CB 3.93Å; F965-L971 HydrophobicContact CG-CD1 4.14Å; F965-L971 HydrophobicContact CG-CG 4.5Å; F965-L971 HydrophobicContact CZ-CD1 4.31Å; S967-L971 PolarHBondContact O-N 3.48Å; L971-L975 HydrophobicContact CD1-CB 4.38Å; L971-L975 WeakPolarHBondContact O-CB 3.48Å; L971-L975 PolarHBondContact O-N 3.06Å
972A92.9Very high88.7Confident29 Ų2952.1 Ų52.124%0.2427%0.269CS..Hα-helixtrans-60.7-45.817900000112.2V906 K968 A969 T976V906-A972 HydrophobicContact CG1-CB 3.88Å; V906-A972 HydrophobicContact CG2-CB 3.98Å; K968-A972 WeakPolarHBondContact O-CB 3.45Å; K968-A972 PolarHBondContact O-N 2.97Å; A969-A972 PolarHBondContact O-N 3.18Å; A972-T976 WeakPolarHBondContact O-CB 3.41Å; A972-T976 PolarHBondContact O-N 3.22Å; A972-T976 VanDerWaalsContact O-N 3.07Å; A972-T976 PolarHBondContact O-OG1 2.84Å
973E92.3Very high86.9Confident117 Ų11760.2 Ų60.255%0.54731%0.306SS..Hα-helixtrans-59.7-58176.3-177.3178.5-168.100111A969 L975 T976 E977A969-E973 PolarHBondContact O-N 3.24Å; E973-L975 PolarHBondContact O-N 2.62Å; E973-T976 PolarHBondContact O-N 3.3Å; E973-E977 WeakPolarHBondContact O-CG 3.28Å; E973-E977 PolarHBondContact O-N 2.68Å
974K91.2Very high84.7Confident28 Ų2862.9 Ų62.912%0.12233%0.334CS..Hα-helixtrans-65.8-36.4-176.1-73.1-172171.4-690113.8S947 D948 Y949 Y950 F965 V970 A978S947-K974 VanDerWaalsContact O-CE 3.22Å; S947-K974 WeakPolarHBondContact O-CE 3.39Å; D948-K974 VanDerWaalsContact O-CE 3.31Å; D948-K974 WeakPolarHBondContact O-CE 3.38Å; D948-K974 PolarHBondContact O-NZ 2.97Å; Y949-K974 WeakPolarHBondContact O-CD 3.5Å; Y950-K974 HydrophobicContact CD1-CB 3.91Å; Y950-K974 HydrophobicContact CD1-CD 4.48Å; Y950-K974 HydrophobicContact CD1-CG 4.1Å; Y950-K974 HydrophobicContact CE1-CB 4.04Å; Y950-K974 HydrophobicContact CE1-CD 4.5Å; Y950-K974 HydrophobicContact CE1-CG 3.86Å; F965-K974 HydrophobicContact CE1-CD 3.87Å; F965-K974 HydrophobicContact CZ-CD 3.94Å; V970-K974 HydrophobicContact CG1-CD 4.29Å; V970-K974 WeakPolarHBondContact O-CB 3.45Å; V970-K974 PolarHBondContact O-N 3.32Å; K974-A978 VanDerWaalsContact O-CB 3.28Å; K974-A978 WeakPolarHBondContact O-CB 3.44Å; K974-A978 PolarHBondContact O-N 3.3Å
975L92.5Very high82.3Confident0 Ų069.8 Ų69.80%037%0.365CS..Hα-helixtrans-66.1-43176.2-178.262000110.3F903 V906 F918 P951 L971 E973 A978 I979F903-L975 HydrophobicContact CD2-CD2 4.29Å; F903-L975 HydrophobicContact CE2-CD2 4.07Å; V906-L975 HydrophobicContact CG1-CD2 3.91Å; F918-L975 HydrophobicContact CD2-CD1 4.11Å; F918-L975 HydrophobicContact CE2-CD1 3.97Å; P951-L975 HydrophobicContact CB-CD1 4.39Å; P951-L975 HydrophobicContact CG-CD1 4.22Å; L971-L975 HydrophobicContact CD1-CB 4.38Å; L971-L975 WeakPolarHBondContact O-CB 3.48Å; L971-L975 PolarHBondContact O-N 3.06Å; E973-L975 PolarHBondContact O-N 2.62Å; L975-A978 PolarHBondContact O-N 3.38Å; L975-I979 HydrophobicContact CD1-CD1 4.02Å; L975-I979 HydrophobicContact CD1-CG1 4.35Å; L975-I979 HydrophobicContact CG-CD1 3.79Å; L975-I979 VanDerWaalsContact O-CD1 3.26Å; L975-I979 WeakPolarHBondContact O-CD1 3.42Å; L975-I979 WeakPolarHBondContact O-CG1 3.43Å; L975-I979 PolarHBondContact O-N 3.26Å
976T91.2Very high79.6Confident32 Ų3275.1 Ų75.120%0.19640%0.398CS..Hα-helixtrans-64.5-45.1178.3-53.40000111A972 E973 A978 I979 E980A972-T976 WeakPolarHBondContact O-CB 3.41Å; A972-T976 PolarHBondContact O-N 3.22Å; A972-T976 VanDerWaalsContact O-N 3.07Å; A972-T976 PolarHBondContact O-OG1 2.84Å; E973-T976 PolarHBondContact O-N 3.3Å; T976-A978 PolarHBondContact O-N 3.47Å; T976-I979 PolarHBondContact O-N 3.32Å; T976-E980 HydrophobicContact CG2-CG 4.47Å; T976-E980 WeakPolarHBondContact O-CG 3.29Å; T976-E980 PolarHBondContact O-N 3.4Å
977E89.7Confident77Confident61 Ų6175.9 Ų75.929%0.28540%0.401SS..Hα-helixtrans-59.5-45.6174.8-72.7-176.516900112Y950 E973 I979 E980 Y981Y950-E977 HydrophobicContact CE1-CB 3.93Å; Y950-E977 WeakPolarHBondContact CE1-OE2 3.15Å; Y950-E977 VanDerWaalsContact CZ-OE2 3.26Å; Y950-E977 PolarHBondContact OH-OE2 3.25Å; E973-E977 WeakPolarHBondContact O-CG 3.28Å; E973-E977 PolarHBondContact O-N 2.68Å; E977-I979 VanDerWaalsContact C-N 3.28Å; E977-I979 PolarHBondContact O-N 3.36Å; E977-E980 PolarHBondContact O-N 3.11Å; E977-Y981 HydrophobicContact CB-CD2 4.37Å; E977-Y981 VanDerWaalsContact O-CD2 3.27Å; E977-Y981 WeakPolarHBondContact O-CD2 3.13Å; E977-Y981 PolarHBondContact O-N 2.89Å
978A88.6Confident74.3Confident13 Ų1384.9 Ų84.911%0.10744%0.443CS..Hα-helixtrans-62.3-35.3178.700000112.7F921 Y950 K974 L975 T976F921-A978 HydrophobicContact CZ-CB 4.22Å; Y950-A978 HydrophobicContact CD1-CB 4.49Å; K974-A978 VanDerWaalsContact O-CB 3.28Å; K974-A978 WeakPolarHBondContact O-CB 3.44Å; K974-A978 PolarHBondContact O-N 3.3Å; L975-A978 PolarHBondContact O-N 3.38Å; T976-A978 PolarHBondContact O-N 3.47Å
979I90Very high73.4Confident6 Ų684.4 Ų84.43%0.03145%0.445CS..Hα-helixtrans-73.8-36.9177.4-66.2160.8000111.5L910 K917 F918 F921 L975 T976 E977 N982L910-I979 HydrophobicContact CD1-CD1 4.24Å; K917-I979 VanDerWaalsContact C-CG2 3.44Å; K917-I979 HydrophobicContact CB-CG2 3.23Å; K917-I979 HydrophobicContact CD-CG2 4.47Å; K917-I979 HydrophobicContact CG-CG2 4.46Å; F918-I979 HydrophobicContact CB-CD1 3.8Å; F918-I979 HydrophobicContact CB-CG1 4.16Å; F918-I979 HydrophobicContact CD2-CD1 3.76Å; F918-I979 HydrophobicContact CD2-CG1 3.98Å; F918-I979 HydrophobicContact CG-CD1 4.27Å; F921-I979 HydrophobicContact CD1-CG1 4.45Å; L975-I979 HydrophobicContact CD1-CD1 4.02Å; L975-I979 HydrophobicContact CD1-CG1 4.35Å; L975-I979 HydrophobicContact CG-CD1 3.79Å; L975-I979 VanDerWaalsContact O-CD1 3.26Å; L975-I979 WeakPolarHBondContact O-CD1 3.42Å; L975-I979 WeakPolarHBondContact O-CG1 3.43Å; L975-I979 PolarHBondContact O-N 3.26Å; T976-I979 PolarHBondContact O-N 3.32Å; E977-I979 VanDerWaalsContact C-N 3.28Å; E977-I979 PolarHBondContact O-N 3.36Å; I979-N982 PolarHBondContact O-ND2 3.2Å; I979-N982 VanDerWaalsContact O-ND2 3.16Å
980E84.5Confident72.5Confident95 Ų9585.3 Ų85.344%0.44444%0.439SS..Hα-helixtrans-76.7-37-178.5-73.6-172.9170.100113.1T976 E977T976-E980 HydrophobicContact CG2-CG 4.47Å; T976-E980 WeakPolarHBondContact O-CG 3.29Å; T976-E980 PolarHBondContact O-N 3.4Å; E977-E980 PolarHBondContact O-N 3.11Å
981Y78.8Confident71.4Confident183 Ų18387.3 Ų87.372%0.71845%0.447SS*.SBendtrans-106.448.5-174.8-58.7-71.4000113E977E977-Y981 HydrophobicContact CB-CD2 4.37Å; E977-Y981 VanDerWaalsContact O-CD2 3.27Å; E977-Y981 WeakPolarHBondContact O-CD2 3.13Å; E977-Y981 PolarHBondContact O-N 2.89Å
982N67.4Low70.1Confident54 Ų5492.5 Ų92.529%0.28947%0.473SS..  trans-98.6-2.6-178.967.618000115.2F921 I979F921-N982 HydrophobicContact CD2-CB 3.82Å; F921-N982 HydrophobicContact CE2-CB 4.45Å; I979-N982 PolarHBondContact O-ND2 3.2Å; I979-N982 VanDerWaalsContact O-ND2 3.16Å
983Q56.2Low68.7Low170 Ų17096.4 Ų96.479%0.79449%0.488SS*.SBendtrans-99.4115.9-178.7-62.4-171.1-7.300111.2
984G44.4Very low67.2Low56 Ų5695.1 Ų95.158%0.57748%0.484SS*.SBendtrans118131.9178.400000111.9T986G984-T986 PolarHBondContact O-N 3.31Å
985F38.4Very low65.4Low226 Ų22699.9 Ų99.999%0.99151%0.51SS*.SBendtrans-70.338.5178.4-75.6-85.9000113.5
986T30.8Very low63.4Low116 Ų116107.5 Ų107.571%0.71255%0.549SS*.  trans-133.277.7-178.646.80000109.1G984 I988G984-T986 PolarHBondContact O-N 3.31Å; T986-I988 PolarHBondContact O-N 2.89Å
987L32.6Very low61Low156 Ų156113.8 Ų113.882%0.81758%0.579SS**  trans-70.1114.8150.1-87.8146.3000106.2
988I31.2Very low58.4Low230 Ų230118.6 Ų118.6100%1.17961%0.605SS**  trans-69.70166.3-67.2174.7000108.8T986T986-I988 PolarHBondContact O-N 2.89Å

Retrieved 988 of 988 residues in 1709.7 ms (Link to these results)

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