A0A5K4F2Y1_SCHMA Loading...

Acetyl-CoA C-acetyltransferase

AlphaFold DB , UniProt , Accession A0A5K4F2Y1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 441 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
1M49.9Very low83.2Confident135 Ų13543.2 Ų43.267%0.66527%0.265SS*.  01240-65176.1-165.800107.5G3 F7 L296 C440M1-G3 PolarHBondContact O-N 3.41Å; M1-F7 HydrophobicContact SD-CE1 4.29Å; M1-L296 HydrophobicContact SD-CD1 3.81Å; M1-C440 HydrophobicContact CE-CB 3.87Å
2N45.8Very low84.5Confident146 Ų14640.5 Ų40.578%0.78125%0.248SC*.  trans-57.2127.8168.5-77.8-8.4000107T4N2-T4 PolarHBondContact O-N 3.15Å
3G59.4Low85.6Confident43 Ų4337.4 Ų37.444%0.44323%0.229SC..SBendtrans-63.715.7-171.100000116.3M1 G293 D294M1-G3 PolarHBondContact O-N 3.41Å; G3-G293 CarbonylContact O-C 3.5Å; G3-G293 WeakPolarHBondContact O-CA 3.11Å; G3-D294 PolarHBondContact O-N 3.13Å
4T80.3Confident86.6Confident115 Ų11534.8 Ų34.871%0.70621%0.213SC*.  trans-93.4118.5179.855.10000110.3N2N2-T4 PolarHBondContact O-N 3.15Å
5G93.2Very high87.4Confident28 Ų2832.5 Ų32.529%0.28920%0.199SC..SBendtrans137.4176.8173.600000113.3G293G5-G293 PolarHBondContact O-N 2.89Å
6V97.4Very high88.1Confident1 Ų130.6 Ų30.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-122.2134.9177.4-178.80000109.1F112 L115 L290 C291 I308V6-F112 HydrophobicContact CB-CD2 3.71Å; V6-F112 HydrophobicContact CB-CE2 4.18Å; V6-F112 HydrophobicContact CG1-CD2 4.25Å; V6-F112 HydrophobicContact CG2-CD2 3.83Å; V6-F112 HydrophobicContact CG2-CE2 4.16Å; V6-L115 HydrophobicContact CG1-CB 4.19Å; V6-L115 HydrophobicContact CG1-CD1 3.71Å; V6-L115 HydrophobicContact CG2-CB 3.63Å; V6-L290 HydrophobicContact CG1-CB 4.3Å; V6-C291 WeakPolarHBondContact CA-O 3.43Å; V6-I308 HydrophobicContact CG1-CD1 4.23Å; V6-I308 PolarHBondContact O-N 2.8Å
7F97.7Very high88.7Confident7 Ų728.8 Ų28.83%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-126.9143.1-169.8-62.2-95.1000110.7M1 L290 C291 G293 L296 P304 A306 R307M1-F7 HydrophobicContact SD-CE1 4.29Å; F7-L290 CarbonylContact O-C 3.54Å; F7-L290 VanDerWaalsContact O-CA 3.23Å; F7-L290 WeakPolarHBondContact O-CA 3.23Å; F7-C291 PolarHBondContact N-O 3.32Å; F7-C291 PolarHBondContact O-N 3.01Å; F7-G293 VanDerWaalsContact CE2-CA 3.48Å; F7-L296 HydrophobicContact CB-CD2 4.02Å; F7-L296 HydrophobicContact CD1-CD1 4.02Å; F7-L296 HydrophobicContact CD2-CD1 3.73Å; F7-L296 HydrophobicContact CD2-CD2 4.33Å; F7-L296 HydrophobicContact CD2-CG 4.14Å; F7-L296 HydrophobicContact CE1-CD1 3.96Å; F7-L296 HydrophobicContact CE2-CD1 3.7Å; F7-L296 HydrophobicContact CG-CD1 3.9Å; F7-L296 HydrophobicContact CG-CD2 4.05Å; F7-L296 HydrophobicContact CG-CG 4.32Å; F7-L296 HydrophobicContact CZ-CD1 3.81Å; F7-P304 HydrophobicContact CB-CB 3.94Å; F7-P304 HydrophobicContact CD1-CB 4.09Å; F7-P304 HydrophobicContact CD1-CG 3.89Å; F7-P304 HydrophobicContact CG-CB 4.41Å; F7-A306 CarbonylContact C-O 3.53Å; F7-A306 WeakPolarHBondContact CA-O 3.4Å; F7-R307 HydrophobicContact CD1-CB 3.83Å; F7-R307 HydrophobicContact CD1-CG 4.03Å; F7-R307 HydrophobicContact CE1-CB 3.71Å; F7-R307 HydrophobicContact CE1-CG 3.67Å; F7-R307 HydrophobicContact CZ-CG 3.99Å
8I98.4Very high89.2Confident0 Ų034.2 Ų34.20%019%0.193CC..EExtended strand (participates in β ladder)trans-91.5121.7169.8-60.4166.8000106.8A11 L288 L290 P304 L305 A306 I308 L391 V395 V437I8-A11 HydrophobicContact CG2-CB 3.98Å; I8-L288 HydrophobicContact CD1-CD2 3.98Å; I8-L288 HydrophobicContact CG1-CD2 4.35Å; I8-L288 HydrophobicContact CG2-CD2 3.98Å; I8-L290 HydrophobicContact CB-CD2 4.38Å; I8-L290 HydrophobicContact CG1-CD2 3.61Å; I8-P304 CarbonylContact O-C 3.57Å; I8-L305 HydrophobicContact CG2-CB 4.36Å; I8-L305 HydrophobicContact CG2-CD1 4.26Å; I8-L305 WeakPolarHBondContact O-CB 3.22Å; I8-L305 PolarHBondContact O-N 2.76Å; I8-A306 PolarHBondContact N-O 2.87Å; I8-A306 PolarHBondContact O-N 2.89Å; I8-I308 HydrophobicContact CD1-CD1 4.27Å; I8-I308 HydrophobicContact CD1-CG1 4Å; I8-I308 HydrophobicContact CG1-CD1 4.04Å; I8-I308 HydrophobicContact CG1-CG1 3.99Å; I8-L391 HydrophobicContact CD1-CD1 4.44Å; I8-L391 HydrophobicContact CD1-CD2 4.18Å; I8-L391 HydrophobicContact CD1-CG 4.35Å; I8-V395 HydrophobicContact CD1-CG1 3.84Å; I8-V437 HydrophobicContact CD1-CG1 4.07Å
9V97.1Very high89.6Confident0 Ų035.7 Ų35.70%020%0.199CC..EExtended strand (participates in β ladder)trans-111.5-19.6-176.3-57.40000113.8V43 W125 L289 C291 L296 L299 R302 P304V9-V43 HydrophobicContact CB-CG2 4.28Å; V9-V43 HydrophobicContact CG2-CG2 3.71Å; V9-W125 HydrophobicContact CG2-CH2 4.38Å; V9-W125 HydrophobicContact CG2-CZ3 3.7Å; V9-L289 HydrophobicContact CG2-CB 4Å; V9-L289 HydrophobicContact CG2-CD2 3.73Å; V9-L289 HydrophobicContact CG2-CG 3.74Å; V9-L289 WeakPolarHBondContact CG2-O 3.25Å; V9-L289 PolarHBondContact N-O 2.91Å; V9-C291 VanDerWaalsContact CG1-SG 3.5Å; V9-L296 HydrophobicContact CG1-CD2 4.3Å; V9-L299 HydrophobicContact CB-CD1 4.15Å; V9-L299 HydrophobicContact CG1-CD1 3.6Å; V9-R302 PolarHBondContact O-NE 3.23Å; V9-R302 PolarHBondContact O-NH2 3.18Å; V9-R302 VanDerWaalsContact O-NH2 3.11Å; V9-P304 HydrophobicContact CG1-CB 4.23Å
10S97.9Very high90Very high0 Ų038.7 Ų38.70%022%0.222CC..EExtended strand (participates in β ladder)trans-153.1142.7171.4-177.80000108.3V39 N42 L288 L289S10-V39 PolarHBondContact OG-O 3.05Å; S10-N42 PolarHBondContact OG-OD1 3.47Å; S10-L288 CarbonylContact O-C 3.57Å; S10-L288 WeakPolarHBondContact O-CA 3.49Å; S10-L289 PolarHBondContact O-N 3.16Å
11A98.7Very high90.3Very high0 Ų037.4 Ų37.40%022%0.217CC..EExtended strand (participates in β ladder)trans-151.7112.4-175.600000107.9I8 I287 L288 L305 V392 V395 H396I8-A11 HydrophobicContact CG2-CB 3.98Å; A11-I287 WeakPolarHBondContact CA-O 3.4Å; A11-L288 HydrophobicContact CB-CD2 3.96Å; A11-L288 HydrophobicContact CB-CG 3.93Å; A11-L305 HydrophobicContact CB-CD1 3.81Å; A11-V392 HydrophobicContact CB-CG1 4.46Å; A11-V392 HydrophobicContact CB-CG2 4.08Å; A11-V395 HydrophobicContact CB-CG2 3.8Å; A11-H396 PolarHBondContact O-NE2 2.82Å
12L98.8Very high92.5Very high11 Ų1132.6 Ų32.66%0.05820%0.197CC..EExtended strand (participates in β ladder)trans-136.8161-176.6-60.2175.9000110.7V35 S38 V39 N42 N224 E225 A286 I287L12-V35 HydrophobicContact CB-CG1 4.16Å; L12-V35 WeakPolarHBondContact O-CG1 3.36Å; L12-S38 VanDerWaalsContact CD1-C 3.48Å; L12-S38 WeakPolarHBondContact CD1-O 3.31Å; L12-V39 HydrophobicContact CB-CG2 3.76Å; L12-V39 HydrophobicContact CD1-CG2 3.98Å; L12-V39 HydrophobicContact CG-CG2 3.96Å; L12-N42 HydrophobicContact CD1-CB 3.9Å; L12-N224 WeakPolarHBondContact CD2-O 3.34Å; L12-E225 CarbonylContact C-O 3.45Å; L12-E225 WeakPolarHBondContact CA-O 3.14Å; L12-A286 CarbonylContact O-C 3.51Å; L12-A286 WeakPolarHBondContact O-CA 3.26Å; L12-I287 PolarHBondContact N-O 3.43Å; L12-I287 PolarHBondContact O-N 2.79Å; L12-I287 VanDerWaalsContact O-O 3.11Å
13R98.8Very high95Very high0 Ų025.7 Ų25.70%016%0.16CC..EExtended strand (participates in β ladder)trans-138.6158.2176.263.6170.5-173.490.8-8.9111.5E225 I226 T227 D245 A285 A286 V392R13-E225 HydrophobicContact CG-CB 4.45Å; R13-E225 HydrophobicContact CG-CG 4.4Å; R13-E225 WeakPolarHBondContact CG-O 3.45Å; R13-E225 IonicContact CZ-OE1 2.86Å; R13-E225 PolarHBondContact N-O 2.98Å; R13-E225 IonicContact NE-OE1 2.74Å; R13-E225 PolarHBondContact NE-OE1 3.25Å; R13-E225 IonicContact NH2-OE1 3.29Å; R13-E225 PolarHBondContact NH2-OE1 3.38Å; R13-I226 CarbonylContact O-C 3.6Å; R13-I226 WeakPolarHBondContact O-CA 3.14Å; R13-T227 PolarHBondContact O-N 3.08Å; R13-D245 IonicContact CZ-OD1 3.97Å; R13-D245 IonicContact CZ-OD2 2.81Å; R13-D245 IonicContact NH1-OD1 3.29Å; R13-D245 PolarHBondContact NH1-OD1 3.39Å; R13-D245 IonicContact NH1-OD2 3.7Å; R13-D245 PolarHBondContact NH1-OD2 2.86Å; R13-D245 IonicContact NH2-OD1 3.42Å; R13-D245 IonicContact NH2-OD2 2.7Å; R13-D245 PolarHBondContact NH2-OD2 3.06Å; R13-A285 CarbonylContact C-O 3.58Å; R13-A285 WeakPolarHBondContact CA-O 3.01Å; R13-A285 WeakPolarHBondContact CB-O 3.28Å; R13-A286 HydrophobicContact CB-CB 3.89Å; R13-V392 HydrophobicContact CG-CG1 4.4Å
14S98.8Very high96.7Very high1 Ų125.3 Ų25.31%0.00715%0.151CC..PPolyproline II helixtrans-69164.6161.268.50000110.3G284 A285S14-G284 VanDerWaalsContact OG-CA 3.3Å; S14-G284 WeakPolarHBondContact OG-CA 3.07Å; S14-A285 PolarHBondContact N-O 2.75Å; S14-A285 PolarHBondContact OG-N 2.88Å; S14-A285 PolarHBondContact OG-O 2.74Å
15P98.5Very high97.4Very high0 Ų021.6 Ų21.60%014%0.135CC..PPolyproline II helixtrans-53.6152.1150.9-20.533.6000110.1L23 I226 T227 I242 T244 D245P15-L23 VanDerWaalsContact O-CD1 3.28Å; P15-L23 WeakPolarHBondContact O-CD1 3.49Å; P15-I226 HydrophobicContact CG-CG2 3.85Å; P15-T227 VanDerWaalsContact CD-O 3.3Å; P15-T227 WeakPolarHBondContact CD-O 3.48Å; P15-I242 HydrophobicContact CB-CG2 4.16Å; P15-I242 HydrophobicContact CG-CG2 4.12Å; P15-T244 WeakPolarHBondContact CB-O 3.34Å; P15-D245 VanDerWaalsContact CA-OD1 3.28Å; P15-D245 WeakPolarHBondContact CA-OD1 3.3Å
16I98.7Very high97.6Very high2 Ų220.4 Ų20.41%0.0112%0.122CC..PPolyproline II helixtrans-94.5118.8173.9-57.1-174000108.5D245 E246 N282 D283 L379 P382 R389I16-D245 PolarHBondContact N-OD1 2.86Å; I16-E246 PolarHBondContact O-N 3.3Å; I16-N282 HydrophobicContact CG2-CB 3.59Å; I16-D283 WeakPolarHBondContact CA-O 3.47Å; I16-L379 WeakPolarHBondContact CB-O 3.29Å; I16-L379 HydrophobicContact CD1-CB 4.09Å; I16-L379 WeakPolarHBondContact CG2-O 3.29Å; I16-P382 HydrophobicContact CD1-CG 4.44Å; I16-P382 HydrophobicContact CG2-CG 4.43Å; I16-R389 HydrophobicContact CD1-CG 4.16Å
17G98.3Very high97.7Very high0 Ų021.4 Ų21.40%013%0.129CC..EExtended strand (participates in β ladder)trans-84.8148.5175.100000110.8N282 D283G17-N282 WeakPolarHBondContact O-CA 3.48Å; G17-N282 WeakPolarHBondContact O-CB 3.4Å; G17-N282 PolarHBondContact O-ND2 2.81Å; G17-D283 PolarHBondContact N-O 2.75Å; G17-D283 PolarHBondContact O-N 2.7Å
18R97.7Very high97.7Very high127 Ų12721.1 Ų21.148%0.47913%0.128SC..EExtended strand (participates in β ladder)trans-80.5160.5168.174.1-166.4163.9154.6-1.1110S20 G21 E246R18-S20 PolarHBondContact O-N 3.43Å; R18-G21 WeakPolarHBondContact O-CA 2.96Å; R18-G21 PolarHBondContact O-N 2.81Å; R18-E246 HydrophobicContact CG-CG 4.23Å; R18-E246 WeakPolarHBondContact CG-OE2 3.42Å; R18-E246 IonicContact CZ-OE1 3.44Å; R18-E246 PolarHBondContact N-OE2 3.19Å; R18-E246 VanDerWaalsContact N-OE2 3.13Å; R18-E246 VanDerWaalsContact NE-CD 3.33Å; R18-E246 IonicContact NE-OE1 3.23Å; R18-E246 PolarHBondContact NE-OE1 2.94Å; R18-E246 IonicContact NE-OE2 2.72Å; R18-E246 IonicContact NH2-OE1 2.7Å; R18-E246 PolarHBondContact NH2-OE1 2.84Å
19M97.5Very high97.7Very high63 Ų6322.3 Ų22.331%0.3113%0.134SC..THydrogen-bonded Turntrans-48.9129.4172.2-170.364122.100112.1G21 M134 S135 I170 V281M19-G21 PolarHBondContact O-N 2.86Å; M19-M134 HydrophobicContact CE-CB 4.27Å; M19-M134 HydrophobicContact SD-CB 4.29Å; M19-S135 VanDerWaalsContact SD-CA 3.5Å; M19-I170 HydrophobicContact CE-CD1 3.19Å; M19-I170 HydrophobicContact CE-CG1 4.18Å; M19-V281 HydrophobicContact CB-CB 4.27Å; M19-V281 HydrophobicContact CB-CG1 4.23Å; M19-V281 HydrophobicContact CE-CB 4.37Å; M19-V281 HydrophobicContact CE-CG1 3.28Å; M19-V281 HydrophobicContact CG-CG1 4.3Å; M19-V281 PolarHBondContact N-O 3.28Å; M19-V281 HydrophobicContact SD-CG1 3.76Å
20S97Very high97.8Very high95 Ų9525.8 Ų25.866%0.66415%0.15SC*.THydrogen-bonded Turntrans57.124.6-176.5-52.60000113.9R18 S135R18-S20 PolarHBondContact O-N 3.43Å; S20-S135 PolarHBondContact N-OG 3.29Å
21G96.6Very high97.8Very high11 Ų1125.8 Ų25.811%0.11315%0.15CC..SBendtrans-96.2-147.2-176.400000113.8R18 M19 L23 S24 E246R18-G21 WeakPolarHBondContact O-CA 2.96Å; R18-G21 PolarHBondContact O-N 2.81Å; M19-G21 PolarHBondContact O-N 2.86Å; G21-L23 VanDerWaalsContact C-N 3.28Å; G21-L23 PolarHBondContact O-N 2.99Å; G21-S24 WeakPolarHBondContact O-CB 3.4Å; G21-S24 PolarHBondContact O-N 3.21Å; G21-S24 PolarHBondContact O-OG 2.72Å; G21-E246 WeakPolarHBondContact CA-OE2 3.32Å
22C96.1Very high97.8Very high35 Ų3525.8 Ų25.824%0.23615%0.15CC..THydrogen-bonded Turntrans-67.3-23.8-170.167.60000114.5I242 E246C22-I242 HydrophobicContact CB-CD1 4.04Å; C22-I242 HydrophobicContact CB-CG1 4.33Å; C22-E246 PolarHBondContact N-OE1 3.11Å; C22-E246 PolarHBondContact N-OE2 3.24Å; C22-E246 PolarHBondContact SG-OE2 2.85Å
23L97.8Very high97.8Very high0 Ų025.5 Ų25.50%015%0.149CC..THydrogen-bonded Turntrans-100.9-2179.2-60.1-174.8000113.6P15 G21 G25 L26 L31 I229 V231 I242 D283P15-L23 VanDerWaalsContact O-CD1 3.28Å; P15-L23 WeakPolarHBondContact O-CD1 3.49Å; G21-L23 VanDerWaalsContact C-N 3.28Å; G21-L23 PolarHBondContact O-N 2.99Å; L23-G25 PolarHBondContact O-N 3.34Å; L23-L26 PolarHBondContact O-N 3.1Å; L23-L31 HydrophobicContact CB-CD2 4.47Å; L23-L31 HydrophobicContact CD1-CD2 4.07Å; L23-L31 HydrophobicContact CD2-CD2 4.23Å; L23-L31 HydrophobicContact CG-CD2 4.49Å; L23-I229 HydrophobicContact CD2-CB 4.3Å; L23-I229 HydrophobicContact CD2-CG2 3.95Å; L23-V231 HydrophobicContact CD2-CG2 4.25Å; L23-I242 HydrophobicContact CD2-CB 4.2Å; L23-I242 HydrophobicContact CD2-CG1 4.11Å; L23-I242 HydrophobicContact CD2-CG2 4.31Å; L23-D283 HydrophobicContact CB-CB 4Å
24S96.5Very high97.8Very high36 Ų3627.7 Ų27.725%0.25216%0.16SC..THydrogen-bonded Turntrans-61.8-21.1-172.960.80000114.6G21 L26 Q136G21-S24 WeakPolarHBondContact O-CB 3.4Å; G21-S24 PolarHBondContact O-N 3.21Å; G21-S24 PolarHBondContact O-OG 2.72Å; S24-L26 VanDerWaalsContact C-N 3.26Å; S24-L26 PolarHBondContact O-N 2.92Å; S24-Q136 PolarHBondContact O-NE2 3.3Å
25G94.8Very high97.8Very high37 Ų3727.7 Ų27.738%0.38116%0.159SC..THydrogen-bonded Turntrans-77.1-4.817500000114.9L23L23-G25 PolarHBondContact O-N 3.34Å
26L97.6Very high97.9Very high3 Ų327.7 Ų27.72%0.01616%0.159CC..SBendtrans-109.2136.7-177.6-63.3179.6000111.8L23 S24 Q30 L31 S133 I229 V231 P232L23-L26 PolarHBondContact O-N 3.1Å; S24-L26 VanDerWaalsContact C-N 3.26Å; S24-L26 PolarHBondContact O-N 2.92Å; L26-Q30 HydrophobicContact CB-CB 4.35Å; L26-Q30 HydrophobicContact CD2-CB 4.22Å; L26-L31 HydrophobicContact CB-CD2 4.12Å; L26-L31 HydrophobicContact CB-CG 4.02Å; L26-L31 HydrophobicContact CD1-CD2 3.57Å; L26-L31 HydrophobicContact CD1-CG 4.31Å; L26-L31 HydrophobicContact CG-CD2 4.49Å; L26-S133 PolarHBondContact O-OG 3.09Å; L26-I229 HydrophobicContact CD1-CG2 3.53Å; L26-V231 HydrophobicContact CD1-CG2 3.99Å; L26-V231 HydrophobicContact CG-CG2 4.48Å; L26-P232 HydrophobicContact CD2-CG 4.45Å
27S98.1Very high97.9Very high21 Ų2129.5 Ų29.515%0.14717%0.172CC..  trans-68.8157.8166.273.50000110.6H29 Q30 L31S27-H29 PolarHBondContact O-N 3.23Å; S27-H29 PolarHBondContact OG-CD2 3.48Å; S27-H29 PolarHBondContact OG-CE1 3.19Å; S27-H29 PolarHBondContact OG-ND1 3.02Å; S27-H29 PolarHBondContact OG-NE2 3.48Å; S27-Q30 WeakPolarHBondContact O-CB 3.29Å; S27-Q30 PolarHBondContact O-N 3.2Å; S27-Q30 VanDerWaalsContact O-N 3.08Å; S27-Q30 VanDerWaalsContact OG-CG 3.25Å; S27-Q30 WeakPolarHBondContact OG-CG 3.43Å; S27-Q30 PolarHBondContact OG-N 3.41Å; S27-Q30 PolarHBondContact OG-OE1 2.87Å; S27-L31 PolarHBondContact O-N 3.44Å; S27-L31 VanDerWaalsContact O-N 3.15Å
28A98.5Very high97.9Very high2 Ų231 Ų312%0.01718%0.183CC..Hα-helixtrans-56.1-39.4177.400000112.2Q30 L31 G32 Q131A28-Q30 PolarHBondContact O-N 3.2Å; A28-L31 PolarHBondContact O-N 3.3Å; A28-G32 PolarHBondContact O-N 3.16Å; A28-Q131 HydrophobicContact CB-CB 4.31Å; A28-Q131 HydrophobicContact CB-CG 4.01Å; A28-Q131 WeakPolarHBondContact O-CB 3.29Å; A28-Q131 PolarHBondContact O-OE1 3.27Å
29H98.7Very high97.9Very high25 Ų2525 Ų2512%0.11616%0.16CC..Hα-helixtrans-72.7-26.1179.762.2-107.4000113.7S27 G33 P78 Q81 A82S27-H29 PolarHBondContact O-N 3.23Å; S27-H29 PolarHBondContact OG-CD2 3.48Å; S27-H29 PolarHBondContact OG-CE1 3.19Å; S27-H29 PolarHBondContact OG-ND1 3.02Å; S27-H29 PolarHBondContact OG-NE2 3.48Å; H29-G33 PolarHBondContact O-N 3.27Å; H29-P78 HydrophobicContact CB-CB 4.24Å; H29-P78 WeakPolarHBondContact CB-O 3.25Å; H29-Q81 HydrophobicContact CB-CB 3.86Å; H29-Q81 PolarHBondContact CE1-OE1 2.93Å; H29-Q81 PolarHBondContact ND1-OE1 2.93Å; H29-Q81 PolarHBondContact NE2-OE1 2.9Å; H29-A82 HydrophobicContact CB-CB 4.09Å
30Q98.5Very high97.9Very high73 Ų7322 Ų2234%0.34115%0.146SC..Hα-helixtrans-71.6-36.7171.7-75169.7-30.900111.6L26 S27 A28 Q34 L85L26-Q30 HydrophobicContact CB-CB 4.35Å; L26-Q30 HydrophobicContact CD2-CB 4.22Å; S27-Q30 WeakPolarHBondContact O-CB 3.29Å; S27-Q30 PolarHBondContact O-N 3.2Å; S27-Q30 VanDerWaalsContact O-N 3.08Å; S27-Q30 VanDerWaalsContact OG-CG 3.25Å; S27-Q30 WeakPolarHBondContact OG-CG 3.43Å; S27-Q30 PolarHBondContact OG-N 3.41Å; S27-Q30 PolarHBondContact OG-OE1 2.87Å; A28-Q30 PolarHBondContact O-N 3.2Å; Q30-Q34 WeakPolarHBondContact O-CG 3.43Å; Q30-Q34 PolarHBondContact O-N 3.07Å; Q30-Q34 PolarHBondContact O-NE2 2.94Å; Q30-L85 HydrophobicContact CG-CD1 4.33Å
31L98.6Very high97.9Very high0 Ų021 Ų210%013%0.133CC..Hα-helixtrans-65.6-53.3171-67.3171.4000110.5L23 L26 S27 A28 G33 Q34 V35 I229 D283 A285L23-L31 HydrophobicContact CB-CD2 4.47Å; L23-L31 HydrophobicContact CD1-CD2 4.07Å; L23-L31 HydrophobicContact CD2-CD2 4.23Å; L23-L31 HydrophobicContact CG-CD2 4.49Å; L26-L31 HydrophobicContact CB-CD2 4.12Å; L26-L31 HydrophobicContact CB-CG 4.02Å; L26-L31 HydrophobicContact CD1-CD2 3.57Å; L26-L31 HydrophobicContact CD1-CG 4.31Å; L26-L31 HydrophobicContact CG-CD2 4.49Å; S27-L31 PolarHBondContact O-N 3.44Å; S27-L31 VanDerWaalsContact O-N 3.15Å; A28-L31 PolarHBondContact O-N 3.3Å; L31-G33 PolarHBondContact O-N 2.97Å; L31-Q34 PolarHBondContact O-N 2.83Å; L31-V35 WeakPolarHBondContact O-CG2 3.29Å; L31-V35 PolarHBondContact O-N 3.14Å; L31-I229 HydrophobicContact CD2-CG2 3.88Å; L31-D283 HydrophobicContact CD1-CB 4.26Å; L31-A285 HydrophobicContact CB-CB 4Å
32G98.8Very high97.9Very high0 Ų022.3 Ų22.30%014%0.137CC..Hα-helixtrans-59.4-44-179.200000113.1A28 Q34 V35 I36A28-G32 PolarHBondContact O-N 3.16Å; G32-Q34 VanDerWaalsContact C-N 3.33Å; G32-Q34 PolarHBondContact O-N 3.43Å; G32-V35 PolarHBondContact O-N 3.45Å; G32-I36 VanDerWaalsContact O-CG1 3.25Å; G32-I36 WeakPolarHBondContact O-CG1 3.39Å; G32-I36 PolarHBondContact O-N 3.35Å
33G98.8Very high97.8Very high4 Ų420.7 Ų20.74%0.04113%0.126CC..Hα-helixtrans-61-39.2178.900000113.3H29 L31 S37 A82 A86H29-G33 PolarHBondContact O-N 3.27Å; L31-G33 PolarHBondContact O-N 2.97Å; G33-S37 PolarHBondContact O-N 2.85Å; G33-S37 VanDerWaalsContact O-N 3.09Å; G33-A82 VanDerWaalsContact CA-O 3.29Å; G33-A82 WeakPolarHBondContact CA-O 3.27Å; G33-A86 VanDerWaalsContact O-CB 3.29Å; G33-A86 WeakPolarHBondContact O-CB 3.47Å
34Q98.8Very high97.7Very high47 Ų4721.3 Ų21.322%0.2213%0.13CC..Hα-helixtrans-64.7-45.9175-72.6-174.771.100111.8Q30 L31 G32 S37 S38 I229 K230Q30-Q34 WeakPolarHBondContact O-CG 3.43Å; Q30-Q34 PolarHBondContact O-N 3.07Å; Q30-Q34 PolarHBondContact O-NE2 2.94Å; L31-Q34 PolarHBondContact O-N 2.83Å; G32-Q34 VanDerWaalsContact C-N 3.33Å; G32-Q34 PolarHBondContact O-N 3.43Å; Q34-S37 WeakPolarHBondContact O-CB 3.39Å; Q34-S37 PolarHBondContact O-N 2.79Å; Q34-S38 PolarHBondContact O-N 3.43Å; Q34-S38 PolarHBondContact O-OG 2.72Å; Q34-I229 HydrophobicContact CB-CD1 4.04Å; Q34-K230 PolarHBondContact NE2-O 3.33Å
35V98.9Very high97.4Very high0 Ų024.6 Ų24.60%014%0.141CC..Hα-helixtrans-67.7-36.8179.5-173.50000111.5L12 L31 G32 S37 S38 V39 I229 A285 I287L12-V35 HydrophobicContact CB-CG1 4.16Å; L12-V35 WeakPolarHBondContact O-CG1 3.36Å; L31-V35 WeakPolarHBondContact O-CG2 3.29Å; L31-V35 PolarHBondContact O-N 3.14Å; G32-V35 PolarHBondContact O-N 3.45Å; V35-S37 PolarHBondContact O-N 3.43Å; V35-S38 PolarHBondContact O-N 3.47Å; V35-V39 HydrophobicContact CG1-CG2 4.43Å; V35-V39 WeakPolarHBondContact O-CG2 3.47Å; V35-V39 PolarHBondContact O-N 3.08Å; V35-I229 HydrophobicContact CG2-CD1 4.03Å; V35-A285 HydrophobicContact CG2-CB 3.95Å; V35-I287 HydrophobicContact CB-CB 4.46Å; V35-I287 HydrophobicContact CB-CG1 3.74Å; V35-I287 HydrophobicContact CG1-CB 3.8Å; V35-I287 HydrophobicContact CG1-CG1 3.57Å
36I98.9Very high96.8Very high1 Ų129.5 Ų29.51%0.00516%0.158CC..Hα-helixtrans-58.9-47.3173.1-68.6165.6000110.6G32 S38 V39 L40 V64 L66 A82 A86 I88 I127 I287G32-I36 VanDerWaalsContact O-CG1 3.25Å; G32-I36 WeakPolarHBondContact O-CG1 3.39Å; G32-I36 PolarHBondContact O-N 3.35Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 3.28Å; I36-V39 PolarHBondContact O-N 3.23Å; I36-L40 HydrophobicContact CG2-CD1 3.93Å; I36-L40 WeakPolarHBondContact O-CG 3.38Å; I36-L40 PolarHBondContact O-N 3.43Å; I36-L40 VanDerWaalsContact O-N 3.08Å; I36-V64 HydrophobicContact CD1-CG1 4.26Å; I36-L66 HydrophobicContact CD1-CD1 4.09Å; I36-A82 HydrophobicContact CD1-CB 4.04Å; I36-A86 HydrophobicContact CB-CB 3.62Å; I36-A86 HydrophobicContact CG2-CB 3.4Å; I36-A86 VanDerWaalsContact CG2-CB 3.4Å; I36-I88 HydrophobicContact CG2-CD1 4.36Å; I36-I88 HydrophobicContact CG2-CG1 4.37Å; I36-I127 HydrophobicContact CG1-CG2 4.17Å; I36-I127 HydrophobicContact CG2-CD1 3.99Å; I36-I287 HydrophobicContact CG1-CD1 3.97Å; I36-I287 HydrophobicContact CG1-CG1 3.98Å; I36-I287 HydrophobicContact CG1-CG2 3.89Å
37S98.5Very high96.4Very high39 Ų3931 Ų3127%0.27317%0.169SC..Hα-helixtrans-56.8-46.2176.4-171.70000110.9G33 Q34 V35 V39 L40 D41G33-S37 PolarHBondContact O-N 2.85Å; G33-S37 VanDerWaalsContact O-N 3.09Å; Q34-S37 WeakPolarHBondContact O-CB 3.39Å; Q34-S37 PolarHBondContact O-N 2.79Å; V35-S37 PolarHBondContact O-N 3.43Å; S37-V39 PolarHBondContact O-N 3.45Å; S37-L40 PolarHBondContact O-N 3.46Å; S37-D41 VanDerWaalsContact O-CG 3.23Å; S37-D41 PolarHBondContact O-N 3.13Å; S37-D41 PolarHBondContact OG-OD2 2.99Å
38S98.4Very high95.9Very high33 Ų3337.3 Ų37.323%0.23120%0.202CC..Hα-helixtrans-66.8-34.1-179.7-64.80000113.5L12 Q34 V35 I36 L40 D41 N42 T227L12-S38 VanDerWaalsContact CD1-C 3.48Å; L12-S38 WeakPolarHBondContact CD1-O 3.31Å; Q34-S38 PolarHBondContact O-N 3.43Å; Q34-S38 PolarHBondContact O-OG 2.72Å; V35-S38 PolarHBondContact O-N 3.47Å; I36-S38 VanDerWaalsContact C-N 3.29Å; I36-S38 PolarHBondContact O-N 3.28Å; S38-L40 VanDerWaalsContact C-N 3.34Å; S38-D41 PolarHBondContact O-N 2.99Å; S38-N42 WeakPolarHBondContact O-CB 3.34Å; S38-N42 PolarHBondContact O-N 3.22Å; S38-T227 VanDerWaalsContact CB-CG2 3.49Å; S38-T227 WeakPolarHBondContact CB-OG1 3.41Å; S38-T227 WeakPolarHBondContact OG-CG2 3.48Å
39V98.5Very high95.5Very high0 Ų041.7 Ų41.70%022%0.224CC..Hα-helixtrans-64.8-41.2174.1167.30000110.8S10 L12 V35 I36 S37 V43 I287 L289S10-V39 PolarHBondContact OG-O 3.05Å; L12-V39 HydrophobicContact CB-CG2 3.76Å; L12-V39 HydrophobicContact CD1-CG2 3.98Å; L12-V39 HydrophobicContact CG-CG2 3.96Å; V35-V39 HydrophobicContact CG1-CG2 4.43Å; V35-V39 WeakPolarHBondContact O-CG2 3.47Å; V35-V39 PolarHBondContact O-N 3.08Å; I36-V39 PolarHBondContact O-N 3.23Å; S37-V39 PolarHBondContact O-N 3.45Å; V39-V43 PolarHBondContact O-N 3.47Å; V39-I287 HydrophobicContact CB-CG2 4.4Å; V39-I287 HydrophobicContact CG2-CB 3.92Å; V39-I287 HydrophobicContact CG2-CG2 4Å; V39-I287 WeakPolarHBondContact CG2-O 3.24Å; V39-L289 HydrophobicContact CG1-CB 3.5Å
40L98Very high95.2Very high1 Ų143.4 Ų43.41%0.00524%0.238CC..Hα-helixtrans-69.9-36.2176.9-70163.2000112.8I36 S37 S38 V43 V44 I57 M58 I88 I127I36-L40 HydrophobicContact CG2-CD1 3.93Å; I36-L40 WeakPolarHBondContact O-CG 3.38Å; I36-L40 PolarHBondContact O-N 3.43Å; I36-L40 VanDerWaalsContact O-N 3.08Å; S37-L40 PolarHBondContact O-N 3.46Å; S38-L40 VanDerWaalsContact C-N 3.34Å; L40-V43 VanDerWaalsContact O-CG1 3.3Å; L40-V43 WeakPolarHBondContact O-CG1 3.49Å; L40-V44 WeakPolarHBondContact O-CG2 3.32Å; L40-I57 HydrophobicContact CD2-CG2 4.06Å; L40-M58 HydrophobicContact CD1-CE 3.51Å; L40-M58 HydrophobicContact CD2-CE 4.18Å; L40-M58 HydrophobicContact CG-CE 4.39Å; L40-I88 HydrophobicContact CD1-CD1 3.72Å; L40-I127 HydrophobicContact CD1-CD1 4.48Å; L40-I127 HydrophobicContact CD2-CD1 4.29Å; L40-I127 HydrophobicContact CG-CD1 4.5Å
41D96.7Very high95Very high73 Ų7348.1 Ų48.139%0.3926%0.257SS..Hα-helixtrans-72.2-40.9175.3-66.1-27.3000110.5S37 S38 V43 V44 E45 K54S37-D41 VanDerWaalsContact O-CG 3.23Å; S37-D41 PolarHBondContact O-N 3.13Å; S37-D41 PolarHBondContact OG-OD2 2.99Å; S38-D41 PolarHBondContact O-N 2.99Å; D41-V43 PolarHBondContact O-N 3.08Å; D41-V44 WeakPolarHBondContact O-CG2 3.31Å; D41-V44 PolarHBondContact O-N 2.86Å; D41-E45 PolarHBondContact O-N 2.9Å; D41-K54 IonicContact OD1-NZ 2.67Å; D41-K54 PolarHBondContact OD1-NZ 3.48Å
42N96.5Very high94.8Very high38 Ų3854 Ų5420%0.20329%0.285CS..Hα-helixtrans-63.4-40.6177.3175.2-101.7000112.1S10 L12 S38 V44 E45 R302S10-N42 PolarHBondContact OG-OD1 3.47Å; L12-N42 HydrophobicContact CD1-CB 3.9Å; S38-N42 WeakPolarHBondContact O-CB 3.34Å; S38-N42 PolarHBondContact O-N 3.22Å; N42-V44 VanDerWaalsContact C-N 3.29Å; N42-V44 PolarHBondContact O-N 3.08Å; N42-E45 PolarHBondContact ND2-OE2 2.86Å; N42-E45 WeakPolarHBondContact O-CB 3.04Å; N42-E45 PolarHBondContact O-N 2.9Å; N42-R302 VanDerWaalsContact O-CZ 3.3Å; N42-R302 PolarHBondContact O-NH1 2.96Å; N42-R302 PolarHBondContact O-NH2 3.28Å; N42-R302 PolarHBondContact OD1-NH2 2.63Å
43V94.9Very high94.6Very high1 Ų154.4 Ų54.41%0.00629%0.287CS..Hα-helixtrans-65.9-33-179.171.20000112.6V9 V39 L40 D41 I57 L289 L299 R302V9-V43 HydrophobicContact CB-CG2 4.28Å; V9-V43 HydrophobicContact CG2-CG2 3.71Å; V39-V43 PolarHBondContact O-N 3.47Å; L40-V43 VanDerWaalsContact O-CG1 3.3Å; L40-V43 WeakPolarHBondContact O-CG1 3.49Å; D41-V43 PolarHBondContact O-N 3.08Å; V43-I57 HydrophobicContact CG1-CD1 3.65Å; V43-I57 HydrophobicContact CG2-CD1 4.45Å; V43-L289 HydrophobicContact CB-CD2 3.93Å; V43-L289 HydrophobicContact CG1-CD2 3.66Å; V43-L289 HydrophobicContact CG2-CD2 3.97Å; V43-L299 HydrophobicContact CG2-CD2 3.82Å; V43-R302 WeakPolarHBondContact O-CD 3.35Å; V43-R302 PolarHBondContact O-NH1 3.08Å
44V94.2Very high94.5Very high13 Ų1356.9 Ų56.98%0.07930%0.296CS..Hα-helixtrans-89.7-7.7179.4-53.40000113.3L40 D41 N42 N46 S47 P50 L53 K54 I57L40-V44 WeakPolarHBondContact O-CG2 3.32Å; D41-V44 WeakPolarHBondContact O-CG2 3.31Å; D41-V44 PolarHBondContact O-N 2.86Å; N42-V44 VanDerWaalsContact C-N 3.29Å; N42-V44 PolarHBondContact O-N 3.08Å; V44-N46 PolarHBondContact O-N 3.18Å; V44-S47 WeakPolarHBondContact O-CB 3.45Å; V44-S47 PolarHBondContact O-N 2.95Å; V44-P50 HydrophobicContact CB-CB 4.09Å; V44-P50 HydrophobicContact CG2-CB 4.15Å; V44-L53 HydrophobicContact CG1-CB 4.12Å; V44-L53 HydrophobicContact CG1-CD2 4.05Å; V44-L53 HydrophobicContact CG1-CG 3.92Å; V44-K54 HydrophobicContact CG1-CB 3.97Å; V44-I57 HydrophobicContact CG1-CD1 4.49Å
45E90Very high94.3Very high105 Ų10559.1 Ų59.149%0.49131%0.31SS..THydrogen-bonded Turntrans-56.6129.4173-164178.6-175.100110.2D41 N42 S47D41-E45 PolarHBondContact O-N 2.9Å; N42-E45 PolarHBondContact ND2-OE2 2.86Å; N42-E45 WeakPolarHBondContact O-CB 3.04Å; N42-E45 PolarHBondContact O-N 2.9Å; E45-S47 PolarHBondContact O-N 3.44Å
46N83.1Confident94.1Very high140 Ų14060.4 Ų60.475%0.74932%0.316SS*.THydrogen-bonded Turntrans64.49.7-174.1-50.1-56.6000116V44V44-N46 PolarHBondContact O-N 3.18Å
47S88.3Confident94Very high34 Ų3460.4 Ų60.424%0.23832%0.316CS..  trans-68.6142.3166.8179.10000110.3V44 E45 N49 P50V44-S47 WeakPolarHBondContact O-CB 3.45Å; V44-S47 PolarHBondContact O-N 2.95Å; E45-S47 PolarHBondContact O-N 3.44Å; S47-N49 PolarHBondContact O-N 3.04Å; S47-N49 PolarHBondContact OG-N 3.12Å; S47-P50 WeakPolarHBondContact O-CD 3.37Å
48N88.2Confident93.9Very high155 Ų15559.6 Ų59.683%0.82931%0.308SS*.SBendtrans-62.4-32173.5-69.8-26000112
49N90.8Very high93.7Very high93 Ų9365.1 Ų65.150%0.49733%0.33SS..SBendtrans-129.174.7179.1-65-34.3000110S47 K51 E52 L53S47-N49 PolarHBondContact O-N 3.04Å; S47-N49 PolarHBondContact OG-N 3.12Å; N49-K51 VanDerWaalsContact C-N 3.34Å; N49-K51 PolarHBondContact O-N 3.27Å; N49-E52 HydrophobicContact CB-CB 3.8Å; N49-E52 VanDerWaalsContact CB-OE2 3.3Å; N49-E52 WeakPolarHBondContact CB-OE2 3.24Å; N49-E52 PolarHBondContact ND2-OE2 2.99Å; N49-E52 PolarHBondContact O-N 2.89Å; N49-L53 PolarHBondContact O-N 2.84Å
50P92.8Very high93.6Very high61 Ų6166.8 Ų66.840%0.39634%0.338SS..Hα-helixtrans-64.5-37.1-17124.2-33.1000112.9V44 S47 K54V44-P50 HydrophobicContact CB-CB 4.09Å; V44-P50 HydrophobicContact CG2-CB 4.15Å; S47-P50 WeakPolarHBondContact O-CD 3.37Å; P50-K54 WeakPolarHBondContact O-CB 3.48Å; P50-K54 PolarHBondContact O-N 2.66Å
51K94Very high93.5Very high173 Ų17367.2 Ų67.275%0.75234%0.34SS*.Hα-helixtrans-66.7-43177-70.7-178.3179.4178.60112.3N49 K54 N55N49-K51 VanDerWaalsContact C-N 3.34Å; N49-K51 PolarHBondContact O-N 3.27Å; K51-K54 PolarHBondContact O-N 3.19Å; K51-N55 WeakPolarHBondContact O-CB 3.46Å; K51-N55 PolarHBondContact O-N 3.19Å; K51-N55 PolarHBondContact O-OD1 2.86Å
52E94.4Very high93.5Very high123 Ų12364.9 Ų64.958%0.57533%0.327SS*.Hα-helixtrans-64.1-47.3178.9-172.4-174.8177.700110.6N49 K54 N55 H56N49-E52 HydrophobicContact CB-CB 3.8Å; N49-E52 VanDerWaalsContact CB-OE2 3.3Å; N49-E52 WeakPolarHBondContact CB-OE2 3.24Å; N49-E52 PolarHBondContact ND2-OE2 2.99Å; N49-E52 PolarHBondContact O-N 2.89Å; E52-K54 PolarHBondContact O-N 2.68Å; E52-N55 PolarHBondContact O-N 2.9Å; E52-H56 WeakPolarHBondContact O-CB 3.23Å; E52-H56 PolarHBondContact O-N 3.36Å
53L94.8Very high93.5Very high8 Ų864.5 Ų64.54%0.04232%0.324CS..Hα-helixtrans-62.8-41.9176.9-179.456.6000111.8V44 N49 H56 I57 K298 L299V44-L53 HydrophobicContact CG1-CB 4.12Å; V44-L53 HydrophobicContact CG1-CD2 4.05Å; V44-L53 HydrophobicContact CG1-CG 3.92Å; N49-L53 PolarHBondContact O-N 2.84Å; L53-H56 PolarHBondContact O-N 3.35Å; L53-I57 HydrophobicContact CD1-CD1 4.07Å; L53-I57 HydrophobicContact CD1-CG1 4.22Å; L53-I57 HydrophobicContact CG-CD1 4Å; L53-I57 VanDerWaalsContact O-CG1 3.28Å; L53-I57 WeakPolarHBondContact O-CG1 3.35Å; L53-I57 PolarHBondContact O-N 2.77Å; L53-K298 HydrophobicContact CD1-CB 4.22Å; L53-K298 WeakPolarHBondContact CD1-O 3.49Å; L53-L299 HydrophobicContact CD2-CD2 4.39Å
54K95.5Very high93.7Very high56 Ų5664.4 Ų64.424%0.24332%0.324CS..Hα-helixtrans-61.5-46.3176.8-165.4165.7-177.1169.70111D41 V44 P50 K51 E52 I57 M58D41-K54 IonicContact OD1-NZ 2.67Å; D41-K54 PolarHBondContact OD1-NZ 3.48Å; V44-K54 HydrophobicContact CG1-CB 3.97Å; P50-K54 WeakPolarHBondContact O-CB 3.48Å; P50-K54 PolarHBondContact O-N 2.66Å; K51-K54 PolarHBondContact O-N 3.19Å; E52-K54 PolarHBondContact O-N 2.68Å; K54-I57 PolarHBondContact O-N 3.04Å; K54-M58 HydrophobicContact CG-CE 4.44Å; K54-M58 VanDerWaalsContact O-CG 3.23Å; K54-M58 WeakPolarHBondContact O-CG 3.28Å; K54-M58 PolarHBondContact O-N 2.81Å
55N95.5Very high93.9Very high94 Ų9463.8 Ų63.850%0.50332%0.32SS..Hα-helixtrans-62.8-44.7177-70.4-7.9000111.6K51 E52 I57 M58 E59K51-N55 WeakPolarHBondContact O-CB 3.46Å; K51-N55 PolarHBondContact O-N 3.19Å; K51-N55 PolarHBondContact O-OD1 2.86Å; E52-N55 PolarHBondContact O-N 2.9Å; N55-I57 VanDerWaalsContact C-N 3.34Å; N55-I57 PolarHBondContact O-N 2.93Å; N55-M58 PolarHBondContact O-N 3.05Å; N55-M58 VanDerWaalsContact O-N 3.12Å; N55-E59 WeakPolarHBondContact O-CB 3.28Å; N55-E59 WeakPolarHBondContact O-CG 3.38Å; N55-E59 PolarHBondContact O-N 3.22Å
56H95.1Very high94.3Very high28 Ų2858.8 Ų58.813%0.1330%0.296CS..Hα-helixtrans-55.4-49.3175.8179.386.8000111.2E52 L53 M58 E59 H60 W125 Q295E52-H56 WeakPolarHBondContact O-CB 3.23Å; E52-H56 PolarHBondContact O-N 3.36Å; L53-H56 PolarHBondContact O-N 3.35Å; H56-M58 VanDerWaalsContact C-N 3.33Å; H56-M58 PolarHBondContact O-N 2.91Å; H56-E59 PolarHBondContact O-N 2.85Å; H56-H60 AromaticContact CE1-CD2 3.96Å; H56-H60 AromaticContact CE1-CE1 3.33Å; H56-H60 PolarHBondContact CE1-CE1 3.41Å; H56-H60 AromaticContact CE1-CG 3.85Å; H56-H60 AromaticContact CE1-ND1 3.44Å; H56-H60 PolarHBondContact CE1-ND1 2.88Å; H56-H60 AromaticContact CE1-NE2 3.62Å; H56-H60 AromaticContact CG-ND1 3.96Å; H56-H60 AromaticContact ND1-CE1 3.5Å; H56-H60 PolarHBondContact ND1-CE1 3.35Å; H56-H60 AromaticContact ND1-ND1 3.62Å; H56-H60 AromaticContact NE2-CG 3.88Å; H56-H60 AromaticContact NE2-ND1 3.76Å; H56-H60 WeakPolarHBondContact O-CB 3.13Å; H56-H60 PolarHBondContact O-N 2.84Å; H56-H60 PolarHBondContact O-ND1 2.94Å; H56-W125 AromaticContact CD2-NE1 3.94Å; H56-W125 AromaticContact NE2-NE1 3.88Å; H56-Q295 PolarHBondContact NE2-OE1 3.08Å
57I96.2Very high95.1Very high1 Ų152.1 Ų52.11%0.00526%0.261CS..Hα-helixtrans-58.4-46.8177.4-68164.4000110.1L40 V43 V44 L53 K54 N55 E59 H60 L61 W125 L289L40-I57 HydrophobicContact CD2-CG2 4.06Å; V43-I57 HydrophobicContact CG1-CD1 3.65Å; V43-I57 HydrophobicContact CG2-CD1 4.45Å; V44-I57 HydrophobicContact CG1-CD1 4.49Å; L53-I57 HydrophobicContact CD1-CD1 4.07Å; L53-I57 HydrophobicContact CD1-CG1 4.22Å; L53-I57 HydrophobicContact CG-CD1 4Å; L53-I57 VanDerWaalsContact O-CG1 3.28Å; L53-I57 WeakPolarHBondContact O-CG1 3.35Å; L53-I57 PolarHBondContact O-N 2.77Å; K54-I57 PolarHBondContact O-N 3.04Å; N55-I57 VanDerWaalsContact C-N 3.34Å; N55-I57 PolarHBondContact O-N 2.93Å; I57-E59 PolarHBondContact O-N 3.49Å; I57-H60 CarbonylContact O-C 3.6Å; I57-H60 PolarHBondContact O-N 3.2Å; I57-L61 WeakPolarHBondContact O-CA 3.05Å; I57-L61 VanDerWaalsContact O-CB 3.23Å; I57-L61 WeakPolarHBondContact O-CB 3.15Å; I57-L61 PolarHBondContact O-N 2.79Å; I57-W125 HydrophobicContact CD1-CH2 4.25Å; I57-W125 HydrophobicContact CD1-CZ3 4.21Å; I57-W125 HydrophobicContact CG1-CD2 4.04Å; I57-W125 HydrophobicContact CG1-CE3 4.13Å; I57-W125 HydrophobicContact CG1-CH2 4.09Å; I57-W125 HydrophobicContact CG1-CZ2 4Å; I57-W125 HydrophobicContact CG1-CZ3 4.13Å; I57-W125 HydrophobicContact CG2-CD2 4.25Å; I57-W125 HydrophobicContact CG2-CE3 4.21Å; I57-W125 HydrophobicContact CG2-CG 4.4Å; I57-L289 HydrophobicContact CD1-CD2 4.27Å; I57-L289 HydrophobicContact CG2-CD1 4.38Å; I57-L289 HydrophobicContact CG2-CD2 4.46Å
58M95.5Very high95.6Very high22 Ų2250.6 Ų50.611%0.10825%0.25CC..Hα-helixtrans-64.2-39.6-179.3-65.7-67.6-172.300113.4L40 K54 N55 H56 H60 I88 P89L40-M58 HydrophobicContact CD1-CE 3.51Å; L40-M58 HydrophobicContact CD2-CE 4.18Å; L40-M58 HydrophobicContact CG-CE 4.39Å; K54-M58 HydrophobicContact CG-CE 4.44Å; K54-M58 VanDerWaalsContact O-CG 3.23Å; K54-M58 WeakPolarHBondContact O-CG 3.28Å; K54-M58 PolarHBondContact O-N 2.81Å; N55-M58 PolarHBondContact O-N 3.05Å; N55-M58 VanDerWaalsContact O-N 3.12Å; H56-M58 VanDerWaalsContact C-N 3.33Å; H56-M58 PolarHBondContact O-N 2.91Å; M58-H60 VanDerWaalsContact C-N 3.31Å; M58-I88 HydrophobicContact CE-CD1 3.84Å; M58-I88 HydrophobicContact SD-CD1 3.53Å; M58-I88 VanDerWaalsContact SD-CD1 3.53Å; M58-P89 HydrophobicContact CB-CG 4.24Å
59E94.9Very high96Very high148 Ų14843.5 Ų43.569%0.69221%0.212SC*.Hα-helixtrans-68.5-30.8178.1-73.4170.8-174.700112.3N55 H56 I57N55-E59 WeakPolarHBondContact O-CB 3.28Å; N55-E59 WeakPolarHBondContact O-CG 3.38Å; N55-E59 PolarHBondContact O-N 3.22Å; H56-E59 PolarHBondContact O-N 2.85Å; I57-E59 PolarHBondContact O-N 3.49Å
60H95.5Very high96.4Very high35 Ų3539.5 Ų39.516%0.16219%0.191CC..THydrogen-bonded Turntrans-107.511.4-177.2-60.674.6000113H56 I57 M58 E62 G123 W125H56-H60 AromaticContact CE1-CD2 3.96Å; H56-H60 AromaticContact CE1-CE1 3.33Å; H56-H60 PolarHBondContact CE1-CE1 3.41Å; H56-H60 AromaticContact CE1-CG 3.85Å; H56-H60 AromaticContact CE1-ND1 3.44Å; H56-H60 PolarHBondContact CE1-ND1 2.88Å; H56-H60 AromaticContact CE1-NE2 3.62Å; H56-H60 AromaticContact CG-ND1 3.96Å; H56-H60 AromaticContact ND1-CE1 3.5Å; H56-H60 PolarHBondContact ND1-CE1 3.35Å; H56-H60 AromaticContact ND1-ND1 3.62Å; H56-H60 AromaticContact NE2-CG 3.88Å; H56-H60 AromaticContact NE2-ND1 3.76Å; H56-H60 WeakPolarHBondContact O-CB 3.13Å; H56-H60 PolarHBondContact O-N 2.84Å; H56-H60 PolarHBondContact O-ND1 2.94Å; I57-H60 CarbonylContact O-C 3.6Å; I57-H60 PolarHBondContact O-N 3.2Å; M58-H60 VanDerWaalsContact C-N 3.31Å; H60-E62 PolarHBondContact O-N 3.17Å; H60-G123 CarbonylContact O-C 3.44Å; H60-G123 WeakPolarHBondContact O-CA 3.43Å; H60-W125 PolarHBondContact O-N 3.04Å
61L96.8Very high96.6Very high10 Ų1039.5 Ų39.55%0.05219%0.19CC..EExtended strand (participates in β ladder)trans-76.8113.2177.1-175.561.3000109.1I57 V64 I88 V92 W125 I127I57-L61 WeakPolarHBondContact O-CA 3.05Å; I57-L61 VanDerWaalsContact O-CB 3.23Å; I57-L61 WeakPolarHBondContact O-CB 3.15Å; I57-L61 PolarHBondContact O-N 2.79Å; L61-V64 HydrophobicContact CD2-CG2 4.15Å; L61-I88 HydrophobicContact CD2-CD1 3.74Å; L61-I88 HydrophobicContact CD2-CG2 4.01Å; L61-V92 HydrophobicContact CB-CG1 4.19Å; L61-V92 HydrophobicContact CB-CG2 4.19Å; L61-V92 HydrophobicContact CD2-CG1 3.76Å; L61-V92 HydrophobicContact CD2-CG2 4.45Å; L61-V92 HydrophobicContact CG-CG1 3.69Å; L61-W125 HydrophobicContact CD1-CB 4.07Å; L61-I127 HydrophobicContact CD1-CD1 4.17Å; L61-I127 HydrophobicContact CD1-CG1 3.93Å; L61-I127 HydrophobicContact CD2-CD1 3.73Å; L61-I127 HydrophobicContact CD2-CG1 4.39Å
62E95.7Very high96.6Very high25 Ų2534.2 Ų34.212%0.11717%0.172CC..EExtended strand (participates in β ladder)trans-76-45.3-176.1-63.7-167.7-15100111.6H60 P93 R114 G124 W125 V126H60-E62 PolarHBondContact O-N 3.17Å; E62-P93 WeakPolarHBondContact O-CD 3.49Å; E62-P93 WeakPolarHBondContact O-CG 3.14Å; E62-R114 IonicContact OE2-CZ 3.36Å; E62-R114 IonicContact OE2-NE 3.07Å; E62-R114 PolarHBondContact OE2-NE 2.93Å; E62-R114 IonicContact OE2-NH2 2.86Å; E62-R114 PolarHBondContact OE2-NH2 3.46Å; E62-G124 PolarHBondContact OE1-N 3.12Å; E62-W125 PolarHBondContact N-O 2.98Å; E62-V126 HydrophobicContact CB-CG2 4.31Å
63E96.7Very high96.6Very high29 Ų2933.5 Ų33.514%0.13618%0.18CC..EExtended strand (participates in β ladder)trans-163162.4-18055.1-174.5172.400113.4I65 P93 W95 R114 V126 I127E63-I65 HydrophobicContact CG-CD1 4.06Å; E63-I65 HydrophobicContact CG-CG1 3.9Å; E63-I65 WeakPolarHBondContact OE1-CD1 3.27Å; E63-P93 VanDerWaalsContact CA-O 3.31Å; E63-P93 WeakPolarHBondContact CA-O 3.28Å; E63-P93 HydrophobicContact CB-CG 4.1Å; E63-W95 PolarHBondContact OE2-NE1 3.17Å; E63-R114 VanDerWaalsContact OE1-CG 3.3Å; E63-R114 WeakPolarHBondContact OE1-CG 3.42Å; E63-V126 HydrophobicContact CG-CG1 4.29Å; E63-V126 HydrophobicContact CG-CG2 4.08Å; E63-I127 PolarHBondContact O-N 3.33Å; E63-I127 VanDerWaalsContact O-N 3.11Å
64V98.8Very high96.7Very high0 Ų034.3 Ų34.30%019%0.186CC..EExtended strand (participates in β ladder)trans-114.6116.9168.4-177.50000109.3I36 L61 L66 A83 I88 V92 P93 A94 W95 I127I36-V64 HydrophobicContact CD1-CG1 4.26Å; L61-V64 HydrophobicContact CD2-CG2 4.15Å; V64-L66 HydrophobicContact CG1-CD2 4.18Å; V64-L66 HydrophobicContact CG1-CG 4.13Å; V64-A83 HydrophobicContact CB-CB 4.27Å; V64-A83 HydrophobicContact CG1-CB 4.25Å; V64-A83 HydrophobicContact CG2-CB 4.04Å; V64-I88 HydrophobicContact CG2-CG1 4.41Å; V64-I88 HydrophobicContact CG2-CG2 4.35Å; V64-V92 HydrophobicContact CG2-CG1 4.39Å; V64-P93 PolarHBondContact N-O 2.88Å; V64-A94 HydrophobicContact CB-CB 3.74Å; V64-A94 HydrophobicContact CG1-CB 4.48Å; V64-A94 HydrophobicContact CG2-CB 4.43Å; V64-A94 CarbonylContact O-C 3.58Å; V64-A94 WeakPolarHBondContact O-CA 3.43Å; V64-W95 PolarHBondContact O-N 3.38Å; V64-I127 CarbonylContact C-O 3.6Å; V64-I127 WeakPolarHBondContact CA-O 3.37Å; V64-I127 HydrophobicContact CB-CB 4.44Å; V64-I127 HydrophobicContact CG1-CB 4.17Å; V64-I127 HydrophobicContact CG1-CG2 3.97Å; V64-I127 HydrophobicContact CG2-CB 4.14Å; V64-I127 HydrophobicContact CG2-CD1 4.27Å
65I98.9Very high96.7Very high0 Ų034.2 Ų34.20%020%0.201CC..EExtended strand (participates in β ladder)trans-117.4113.9-177.6-43.3175.3000109.3E63 W95 V97 S107 L110 V126 I127 A128 G129E63-I65 HydrophobicContact CG-CD1 4.06Å; E63-I65 HydrophobicContact CG-CG1 3.9Å; E63-I65 WeakPolarHBondContact OE1-CD1 3.27Å; I65-W95 WeakPolarHBondContact CA-O 3.17Å; I65-W95 HydrophobicContact CD1-CZ2 3.85Å; I65-W95 HydrophobicContact CG1-CZ2 4.02Å; I65-W95 HydrophobicContact CG2-CD2 4.22Å; I65-W95 HydrophobicContact CG2-CE3 4.29Å; I65-W95 HydrophobicContact CG2-CH2 3.99Å; I65-W95 HydrophobicContact CG2-CZ2 3.86Å; I65-W95 HydrophobicContact CG2-CZ3 4.18Å; I65-V97 HydrophobicContact CG2-CG1 4.24Å; I65-S107 VanDerWaalsContact O-CB 3.28Å; I65-S107 WeakPolarHBondContact O-CB 3.32Å; I65-L110 HydrophobicContact CD1-CB 3.84Å; I65-L110 HydrophobicContact CG2-CD1 4.28Å; I65-V126 HydrophobicContact CD1-CG1 4.31Å; I65-V126 HydrophobicContact CG1-CG1 4.43Å; I65-I127 PolarHBondContact N-O 2.95Å; I65-A128 VanDerWaalsContact O-CA 3.31Å; I65-A128 WeakPolarHBondContact O-CA 3.37Å; I65-G129 PolarHBondContact O-N 3.33Å; I65-G129 VanDerWaalsContact O-N 3.14Å
66L98.9Very high96.8Very high0 Ų038.5 Ų38.50%022%0.218CC..EExtended strand (participates in β ladder)trans-118.7131.4179.6-53.8-176.1000112.4I36 V64 A79 A82 W95 S96 V97 G129 Q131 I287I36-L66 HydrophobicContact CD1-CD1 4.09Å; V64-L66 HydrophobicContact CG1-CD2 4.18Å; V64-L66 HydrophobicContact CG1-CG 4.13Å; L66-A79 HydrophobicContact CB-CB 3.88Å; L66-A79 HydrophobicContact CD1-CB 4.16Å; L66-A79 HydrophobicContact CG-CB 4.05Å; L66-A82 HydrophobicContact CD1-CB 3.83Å; L66-W95 PolarHBondContact N-O 2.86Å; L66-W95 VanDerWaalsContact N-O 3.09Å; L66-S96 CarbonylContact O-C 3.49Å; L66-S96 WeakPolarHBondContact O-CA 3.42Å; L66-V97 PolarHBondContact O-N 3.07Å; L66-G129 CarbonylContact C-O 3.48Å; L66-G129 WeakPolarHBondContact CA-O 3.24Å; L66-Q131 HydrophobicContact CD1-CG 4.4Å; L66-Q131 VanDerWaalsContact CD1-OE1 3.26Å; L66-I287 HydrophobicContact CD1-CD1 4.46Å; L66-I287 HydrophobicContact CD2-CD1 3.46Å; L66-I287 VanDerWaalsContact CD2-CD1 3.46Å
67G98.9Very high97Very high0 Ų040.2 Ų40.20%023%0.228CC..EExtended strand (participates in β ladder)trans-70.9129.1167.300000111.6V97 S103 G129 G130 Q131 G384G67-V97 WeakPolarHBondContact CA-O 3.46Å; G67-S103 VanDerWaalsContact CA-CB 3.49Å; G67-G129 PolarHBondContact N-O 3.14Å; G67-G130 CarbonylContact O-C 3.59Å; G67-G130 WeakPolarHBondContact O-CA 3.5Å; G67-Q131 PolarHBondContact O-N 3.08Å; G67-G384 CarbonylContact C-O 3.52Å
68Q98.8Very high97.1Very high1 Ų140.5 Ų40.51%0.00523%0.23CC..  trans-155.1131.7171.9-175.6173.2-18.600109.1L70 T71 P78 V97 Q131Q68-L70 PolarHBondContact NE2-O 3.4Å; Q68-T71 HydrophobicContact CB-CG2 4.26Å; Q68-T71 HydrophobicContact CG-CG2 3.92Å; Q68-P78 VanDerWaalsContact OE1-CG 3.26Å; Q68-V97 PolarHBondContact N-O 2.96Å; Q68-Q131 HydrophobicContact CB-CG 4.33Å; Q68-Q131 WeakPolarHBondContact CB-O 3.47Å; Q68-Q131 WeakPolarHBondContact CG-O 3.25Å
69V98.5Very high97.2Very high7 Ų739.4 Ų39.44%0.04223%0.225CC..SBendtrans-93.5-51.9-179.2-178.30000110T71 N98 M100 E132 A174 V383V69-T71 PolarHBondContact O-N 3.06Å; V69-N98 PolarHBondContact O-ND2 3Å; V69-M100 HydrophobicContact CG1-SD 4.18Å; V69-M100 VanDerWaalsContact CG2-O 3.3Å; V69-M100 WeakPolarHBondContact CG2-O 3.42Å; V69-E132 WeakPolarHBondContact CB-OE2 3.43Å; V69-E132 PolarHBondContact N-OE2 2.98Å; V69-A174 HydrophobicContact CG1-CB 4.1Å; V69-V383 HydrophobicContact CB-CG2 3.87Å; V69-V383 HydrophobicContact CG1-CG2 4.43Å; V69-V383 HydrophobicContact CG2-CB 4.25Å; V69-V383 HydrophobicContact CG2-CG2 3.88Å
70L98.2Very high97.4Very high8 Ų835.2 Ų35.24%0.04220%0.203CC..  trans-90.190.8-174.6-58.1170.4000110Q68 E132 M134 A137 I170 D173 A174Q68-L70 PolarHBondContact NE2-O 3.4Å; L70-E132 PolarHBondContact N-OE2 3Å; L70-M134 HydrophobicContact CD1-CB 4.29Å; L70-M134 HydrophobicContact CD1-CE 4.41Å; L70-M134 HydrophobicContact CD1-CG 3.93Å; L70-A137 HydrophobicContact CB-CB 4.47Å; L70-A137 HydrophobicContact CD1-CB 3.77Å; L70-I170 HydrophobicContact CD1-CG1 4.13Å; L70-D173 HydrophobicContact CD2-CB 4.02Å; L70-A174 HydrophobicContact CD2-CB 4.08Å; L70-A174 HydrophobicContact CG-CB 4.48Å
71T97.4Very high97.6Very high62 Ų6236.1 Ų36.138%0.3821%0.207SC..  trans-103.5-0.4-179.360.10000113.7Q68 V69 S73 T74 P78Q68-T71 HydrophobicContact CB-CG2 4.26Å; Q68-T71 HydrophobicContact CG-CG2 3.92Å; V69-T71 PolarHBondContact O-N 3.06Å; T71-S73 PolarHBondContact O-N 3Å; T71-T74 PolarHBondContact O-N 2.95Å; T71-T74 PolarHBondContact O-OG1 3.49Å; T71-P78 HydrophobicContact CG2-CG 4.12Å
72T94.7Very high97.7Very high62 Ų6235.6 Ų35.638%0.3820%0.204SC..THydrogen-bonded Turntrans-66.1134.2179.6-57.90000110.2T74 P138T72-T74 PolarHBondContact O-N 3.44Å; T72-T74 VanDerWaalsContact O-N 3.15Å; T72-P138 HydrophobicContact CG2-CG 3.68Å
73S94.4Very high97.8Very high107 Ų10734.5 Ų34.575%0.74820%0.199SC*.THydrogen-bonded Turntrans61.314.2-178.6-163.40000115.9T71T71-S73 PolarHBondContact O-N 3Å
74T96.3Very high97.9Very high25 Ų2535.3 Ų35.315%0.15320%0.204CC..SBendtrans-91.84.2179.668.60000114.3T71 T72 Q81T71-T74 PolarHBondContact O-N 2.95Å; T71-T74 PolarHBondContact O-OG1 3.49Å; T72-T74 PolarHBondContact O-N 3.44Å; T72-T74 VanDerWaalsContact O-N 3.15Å; T74-Q81 PolarHBondContact O-NE2 3.48Å
75G96Very high97.9Very high55 Ų5540.5 Ų40.557%0.56723%0.231SC*.  trans77.6-179.6-171.400000113.6N77G75-N77 PolarHBondContact O-N 3.03Å
76Q96.9Very high97.9Very high183 Ų18341 Ų4186%0.85524%0.235SC*.SBendtrans-68.5129.8-178-66.2-177.21.900111.1Q81Q76-Q81 PolarHBondContact O-NE2 3.19Å
77N98.1Very high97.8Very high65 Ų6543.6 Ų43.635%0.34826%0.262SS..  trans45.674.2171-169.7-12.4000113.3G75 A79 R80 Q81 A94G75-N77 PolarHBondContact O-N 3.03Å; N77-A79 PolarHBondContact O-N 2.9Å; N77-R80 HydrophobicContact CB-CB 3.92Å; N77-R80 WeakPolarHBondContact ND2-CB 3.26Å; N77-R80 WeakPolarHBondContact O-CA 3.33Å; N77-R80 WeakPolarHBondContact O-CB 3.15Å; N77-R80 PolarHBondContact O-N 3.02Å; N77-R80 WeakPolarHBondContact OD1-CB 3.47Å; N77-R80 PolarHBondContact OD1-N 3.41Å; N77-Q81 PolarHBondContact O-N 2.92Å; N77-A94 PolarHBondContact ND2-O 2.92Å
78P98.5Very high97.8Very high6 Ų643.9 Ų43.94%0.03926%0.263CS..Hα-helixtrans-61.8-24.1-177.726-35.5000113.7H29 Q68 T71 Q81 A82 Q131H29-P78 HydrophobicContact CB-CB 4.24Å; H29-P78 WeakPolarHBondContact CB-O 3.25Å; Q68-P78 VanDerWaalsContact OE1-CG 3.26Å; T71-P78 HydrophobicContact CG2-CG 4.12Å; P78-Q81 PolarHBondContact O-N 3.23Å; P78-A82 PolarHBondContact O-N 3.35Å; P78-Q131 PolarHBondContact O-NE2 2.65Å
79A98.8Very high97.7Very high0 Ų046.1 Ų46.10%028%0.278CS..Hα-helixtrans-64.9-41.7169.900000112.2L66 N77 A82 A83 W95 S96L66-A79 HydrophobicContact CB-CB 3.88Å; L66-A79 HydrophobicContact CD1-CB 4.16Å; L66-A79 HydrophobicContact CG-CB 4.05Å; N77-A79 PolarHBondContact O-N 2.9Å; A79-A82 PolarHBondContact O-N 3.32Å; A79-A83 PolarHBondContact O-N 3.45Å; A79-W95 VanDerWaalsContact CB-O 3.26Å; A79-W95 WeakPolarHBondContact CB-O 3.33Å; A79-S96 VanDerWaalsContact CB-OG 3.25Å; A79-S96 WeakPolarHBondContact CB-OG 3.31Å; A79-S96 PolarHBondContact N-OG 3.34Å
80R98.7Very high97.7Very high60 Ų6054.1 Ų54.123%0.22631%0.309CS..Hα-helixtrans-65-40.7174-178.462.4173.8-143.3-3.8112.4N77 A82 A83 I84 Y90 V92 A94N77-R80 HydrophobicContact CB-CB 3.92Å; N77-R80 WeakPolarHBondContact ND2-CB 3.26Å; N77-R80 WeakPolarHBondContact O-CA 3.33Å; N77-R80 WeakPolarHBondContact O-CB 3.15Å; N77-R80 PolarHBondContact O-N 3.02Å; N77-R80 WeakPolarHBondContact OD1-CB 3.47Å; N77-R80 PolarHBondContact OD1-N 3.41Å; R80-A82 VanDerWaalsContact C-N 3.31Å; R80-A82 PolarHBondContact O-N 3Å; R80-A83 PolarHBondContact O-N 3.08Å; R80-I84 HydrophobicContact CG-CG1 4.48Å; R80-I84 WeakPolarHBondContact O-CG1 3.26Å; R80-I84 PolarHBondContact O-N 3.29Å; R80-Y90 PolarHBondContact NH2-O 3.01Å; R80-V92 PolarHBondContact NH1-O 3.5Å; R80-A94 HydrophobicContact CB-CB 4.14Å
81Q98.8Very high97.6Very high53 Ų5359.2 Ų59.225%0.24834%0.344CS..Hα-helixtrans-58.3-45.4174.5-65.3176.858.600110.9H29 T74 Q76 N77 P78 I84 L85H29-Q81 HydrophobicContact CB-CB 3.86Å; H29-Q81 PolarHBondContact CE1-OE1 2.93Å; H29-Q81 PolarHBondContact ND1-OE1 2.93Å; H29-Q81 PolarHBondContact NE2-OE1 2.9Å; T74-Q81 PolarHBondContact O-NE2 3.48Å; Q76-Q81 PolarHBondContact O-NE2 3.19Å; N77-Q81 PolarHBondContact O-N 2.92Å; P78-Q81 PolarHBondContact O-N 3.23Å; Q81-I84 PolarHBondContact O-N 3.15Å; Q81-L85 WeakPolarHBondContact O-CB 3.28Å; Q81-L85 VanDerWaalsContact O-CG 3.23Å; Q81-L85 WeakPolarHBondContact O-CG 3.38Å; Q81-L85 PolarHBondContact O-N 3.23Å
82A98.8Very high97.6Very high0 Ų056.6 Ų56.60%033%0.327CS..Hα-helixtrans-61.2-45.4176.900000112.6H29 G33 I36 L66 P78 A79 R80 I84 L85 A86 Q131H29-A82 HydrophobicContact CB-CB 4.09Å; G33-A82 VanDerWaalsContact CA-O 3.29Å; G33-A82 WeakPolarHBondContact CA-O 3.27Å; I36-A82 HydrophobicContact CD1-CB 4.04Å; L66-A82 HydrophobicContact CD1-CB 3.83Å; P78-A82 PolarHBondContact O-N 3.35Å; A79-A82 PolarHBondContact O-N 3.32Å; R80-A82 VanDerWaalsContact C-N 3.31Å; R80-A82 PolarHBondContact O-N 3Å; A82-I84 PolarHBondContact O-N 3.5Å; A82-L85 PolarHBondContact O-N 2.98Å; A82-A86 WeakPolarHBondContact O-CB 3.34Å; A82-A86 PolarHBondContact O-N 2.93Å; A82-Q131 VanDerWaalsContact CB-OE1 3.29Å
83A98.8Very high97.7Very high1 Ų156.8 Ų56.81%0.00833%0.33CS..Hα-helixtrans-58.5-49.3177.500000111.9V64 A79 R80 L85 A86 G87 I88 A94V64-A83 HydrophobicContact CB-CB 4.27Å; V64-A83 HydrophobicContact CG1-CB 4.25Å; V64-A83 HydrophobicContact CG2-CB 4.04Å; A79-A83 PolarHBondContact O-N 3.45Å; R80-A83 PolarHBondContact O-N 3.08Å; A83-L85 PolarHBondContact O-N 3.32Å; A83-A86 PolarHBondContact O-N 3.48Å; A83-A86 VanDerWaalsContact O-N 3.17Å; A83-G87 PolarHBondContact O-N 3.29Å; A83-I88 HydrophobicContact CB-CB 4.05Å; A83-I88 HydrophobicContact CB-CG1 4.06Å; A83-I88 HydrophobicContact CB-CG2 4.42Å; A83-I88 VanDerWaalsContact O-CB 3.22Å; A83-I88 WeakPolarHBondContact O-CB 3.19Å; A83-I88 VanDerWaalsContact O-CG1 3.26Å; A83-I88 WeakPolarHBondContact O-CG1 3.28Å; A83-I88 PolarHBondContact O-N 2.85Å; A83-A94 HydrophobicContact CB-CB 3.95Å
84I98.7Very high97.9Very high46 Ų4652.1 Ų52.124%0.23630%0.297CS..Hα-helixtrans-66.6-38.9-179.9-60.9-52.1000111.5R80 Q81 A82 A86 G87 I88 Y90R80-I84 HydrophobicContact CG-CG1 4.48Å; R80-I84 WeakPolarHBondContact O-CG1 3.26Å; R80-I84 PolarHBondContact O-N 3.29Å; Q81-I84 PolarHBondContact O-N 3.15Å; A82-I84 PolarHBondContact O-N 3.5Å; I84-A86 PolarHBondContact O-N 3.38Å; I84-G87 PolarHBondContact O-N 2.89Å; I84-I88 WeakPolarHBondContact CD1-O 3.45Å; I84-Y90 HydrophobicContact CB-CE1 4.5Å; I84-Y90 HydrophobicContact CD1-CD1 3.39Å; I84-Y90 HydrophobicContact CD1-CE1 3.57Å; I84-Y90 HydrophobicContact CD1-CG 4.15Å; I84-Y90 HydrophobicContact CG1-CD1 4.04Å; I84-Y90 HydrophobicContact CG1-CE1 3.77Å; I84-Y90 HydrophobicContact CG2-CE1 3.88Å
85L98.4Very high98.1Very high110 Ų11055.2 Ų55.258%0.57631%0.306SS*.Hα-helixtrans-60.4-32.2174.1-75.3172.9000112.7Q30 Q81 A82 A83 G87Q30-L85 HydrophobicContact CG-CD1 4.33Å; Q81-L85 WeakPolarHBondContact O-CB 3.28Å; Q81-L85 VanDerWaalsContact O-CG 3.23Å; Q81-L85 WeakPolarHBondContact O-CG 3.38Å; Q81-L85 PolarHBondContact O-N 3.23Å; A82-L85 PolarHBondContact O-N 2.98Å; A83-L85 PolarHBondContact O-N 3.32Å; L85-G87 PolarHBondContact O-N 2.84Å
86A98.5Very high98.2Very high11 Ų1154.4 Ų54.49%0.09129%0.292CS..THydrogen-bonded Turntrans-80.3-0.5175.900000114.1G33 I36 A82 A83 I84G33-A86 VanDerWaalsContact O-CB 3.29Å; G33-A86 WeakPolarHBondContact O-CB 3.47Å; I36-A86 HydrophobicContact CB-CB 3.62Å; I36-A86 HydrophobicContact CG2-CB 3.4Å; I36-A86 VanDerWaalsContact CG2-CB 3.4Å; A82-A86 WeakPolarHBondContact O-CB 3.34Å; A82-A86 PolarHBondContact O-N 2.93Å; A83-A86 PolarHBondContact O-N 3.48Å; A83-A86 VanDerWaalsContact O-N 3.17Å; I84-A86 PolarHBondContact O-N 3.38Å
87G98Very high98.3Very high54 Ų5446.7 Ų46.756%0.55726%0.257SS*.THydrogen-bonded Turntrans81.317-178.100000114.6A83 I84 L85A83-G87 PolarHBondContact O-N 3.29Å; I84-G87 PolarHBondContact O-N 2.89Å; L85-G87 PolarHBondContact O-N 2.84Å
88I98.3Very high98.3Very high6 Ų647.8 Ų47.83%0.03126%0.263CS..  trans-65134171.2-58.7-59.8000109.3I36 L40 M58 L61 V64 A83 I84 V92 I127I36-I88 HydrophobicContact CG2-CD1 4.36Å; I36-I88 HydrophobicContact CG2-CG1 4.37Å; L40-I88 HydrophobicContact CD1-CD1 3.72Å; M58-I88 HydrophobicContact CE-CD1 3.84Å; M58-I88 HydrophobicContact SD-CD1 3.53Å; M58-I88 VanDerWaalsContact SD-CD1 3.53Å; L61-I88 HydrophobicContact CD2-CD1 3.74Å; L61-I88 HydrophobicContact CD2-CG2 4.01Å; V64-I88 HydrophobicContact CG2-CG1 4.41Å; V64-I88 HydrophobicContact CG2-CG2 4.35Å; A83-I88 HydrophobicContact CB-CB 4.05Å; A83-I88 HydrophobicContact CB-CG1 4.06Å; A83-I88 HydrophobicContact CB-CG2 4.42Å; A83-I88 VanDerWaalsContact O-CB 3.22Å; A83-I88 WeakPolarHBondContact O-CB 3.19Å; A83-I88 VanDerWaalsContact O-CG1 3.26Å; A83-I88 WeakPolarHBondContact O-CG1 3.28Å; A83-I88 PolarHBondContact O-N 2.85Å; I84-I88 WeakPolarHBondContact CD1-O 3.45Å; I88-V92 HydrophobicContact CG2-CB 3.66Å; I88-V92 HydrophobicContact CG2-CG1 3.85Å; I88-V92 HydrophobicContact CG2-CG2 4.05Å; I88-I127 HydrophobicContact CD1-CD1 3.8Å
89P97.6Very high98.2Very high47 Ų4749 Ų4931%0.30527%0.269SS..  trans-58.9147.5178.6-2634.8000113.9M58 C91 V92M58-P89 HydrophobicContact CB-CG 4.24Å; P89-C91 PolarHBondContact O-N 3.24Å; P89-C91 VanDerWaalsContact O-N 3.15Å; P89-V92 HydrophobicContact CB-CG2 4.41Å; P89-V92 PolarHBondContact O-N 2.83Å; P89-V92 VanDerWaalsContact O-N 3.09Å
90Y97.9Very high98.2Very high176 Ų17651 Ų5169%0.6928%0.278SS*.THydrogen-bonded Turntrans-62.3-20.9177.8-72.9-65.9000114.4R80 I84 V92R80-Y90 PolarHBondContact NH2-O 3.01Å; I84-Y90 HydrophobicContact CB-CE1 4.5Å; I84-Y90 HydrophobicContact CD1-CD1 3.39Å; I84-Y90 HydrophobicContact CD1-CE1 3.57Å; I84-Y90 HydrophobicContact CD1-CG 4.15Å; I84-Y90 HydrophobicContact CG1-CD1 4.04Å; I84-Y90 HydrophobicContact CG1-CE1 3.77Å; I84-Y90 HydrophobicContact CG2-CE1 3.88Å; Y90-V92 VanDerWaalsContact C-N 3.3Å
91C96.3Very high98.1Very high115 Ų11548.7 Ų48.778%0.77727%0.272SS*.THydrogen-bonded Turntrans-72.4-22.2176540000113.3P89 P93P89-C91 PolarHBondContact O-N 3.24Å; P89-C91 VanDerWaalsContact O-N 3.15Å; C91-P93 WeakPolarHBondContact O-CD 3.44Å
92V97.4Very high98.1Very high6 Ų646.2 Ų46.24%0.03626%0.26CS..SBendtrans-80.9117.1-179.2176.50000109.3L61 V64 R80 I88 P89 Y90L61-V92 HydrophobicContact CB-CG1 4.19Å; L61-V92 HydrophobicContact CB-CG2 4.19Å; L61-V92 HydrophobicContact CD2-CG1 3.76Å; L61-V92 HydrophobicContact CD2-CG2 4.45Å; L61-V92 HydrophobicContact CG-CG1 3.69Å; V64-V92 HydrophobicContact CG2-CG1 4.39Å; R80-V92 PolarHBondContact NH1-O 3.5Å; I88-V92 HydrophobicContact CG2-CB 3.66Å; I88-V92 HydrophobicContact CG2-CG1 3.85Å; I88-V92 HydrophobicContact CG2-CG2 4.05Å; P89-V92 HydrophobicContact CB-CG2 4.41Å; P89-V92 PolarHBondContact O-N 2.83Å; P89-V92 VanDerWaalsContact O-N 3.09Å; Y90-V92 VanDerWaalsContact C-N 3.3Å
93P97.6Very high98.1Very high67 Ų6746.2 Ų46.244%0.43526%0.26SS..  trans-64.4149.6178.727.7-34.9000112.4E62 E63 V64 C91E62-P93 WeakPolarHBondContact O-CD 3.49Å; E62-P93 WeakPolarHBondContact O-CG 3.14Å; E63-P93 VanDerWaalsContact CA-O 3.31Å; E63-P93 WeakPolarHBondContact CA-O 3.28Å; E63-P93 HydrophobicContact CB-CG 4.1Å; V64-P93 PolarHBondContact N-O 2.88Å; C91-P93 WeakPolarHBondContact O-CD 3.44Å
94A98.7Very high98.1Very high8 Ų846.1 Ų46.17%0.06626%0.26CS..EExtended strand (participates in β ladder)trans-147.1140.4175.800000111.1V64 N77 R80 A83V64-A94 HydrophobicContact CB-CB 3.74Å; V64-A94 HydrophobicContact CG1-CB 4.48Å; V64-A94 HydrophobicContact CG2-CB 4.43Å; V64-A94 CarbonylContact O-C 3.58Å; V64-A94 WeakPolarHBondContact O-CA 3.43Å; N77-A94 PolarHBondContact ND2-O 2.92Å; R80-A94 HydrophobicContact CB-CB 4.14Å; A83-A94 HydrophobicContact CB-CB 3.95Å
95W98.7Very high98.1Very high91 Ų9144 Ų4435%0.34525%0.248SC..EExtended strand (participates in β ladder)trans-156.4159.5-174.557.8-81.8000112.7E63 V64 I65 L66 A79 V97 L110E63-W95 PolarHBondContact OE2-NE1 3.17Å; V64-W95 PolarHBondContact O-N 3.38Å; I65-W95 WeakPolarHBondContact CA-O 3.17Å; I65-W95 HydrophobicContact CD1-CZ2 3.85Å; I65-W95 HydrophobicContact CG1-CZ2 4.02Å; I65-W95 HydrophobicContact CG2-CD2 4.22Å; I65-W95 HydrophobicContact CG2-CE3 4.29Å; I65-W95 HydrophobicContact CG2-CH2 3.99Å; I65-W95 HydrophobicContact CG2-CZ2 3.86Å; I65-W95 HydrophobicContact CG2-CZ3 4.18Å; L66-W95 PolarHBondContact N-O 2.86Å; L66-W95 VanDerWaalsContact N-O 3.09Å; A79-W95 VanDerWaalsContact CB-O 3.26Å; A79-W95 WeakPolarHBondContact CB-O 3.33Å; W95-V97 HydrophobicContact CZ3-CB 4.03Å; W95-L110 HydrophobicContact CH2-CD1 3.63Å; W95-L110 HydrophobicContact CZ2-CD1 4.48Å; W95-L110 HydrophobicContact CZ3-CD1 4.23Å
96S98.5Very high98.1Very high38 Ų3839.8 Ų39.827%0.26623%0.225SC..EExtended strand (participates in β ladder)trans-100.1142.2-179.2-64.40000111.7L66 A79L66-S96 CarbonylContact O-C 3.49Å; L66-S96 WeakPolarHBondContact O-CA 3.42Å; A79-S96 VanDerWaalsContact CB-OG 3.25Å; A79-S96 WeakPolarHBondContact CB-OG 3.31Å; A79-S96 PolarHBondContact N-OG 3.34Å
97V98.6Very high98.1Very high20 Ų2039.2 Ų39.212%0.12122%0.221CC..EExtended strand (participates in β ladder)trans-114.5138.7168.662.90000109.7I65 L66 G67 Q68 W95 S103 K106 L110I65-V97 HydrophobicContact CG2-CG1 4.24Å; L66-V97 PolarHBondContact O-N 3.07Å; G67-V97 WeakPolarHBondContact CA-O 3.46Å; Q68-V97 PolarHBondContact N-O 2.96Å; W95-V97 HydrophobicContact CZ3-CB 4.03Å; V97-S103 WeakPolarHBondContact O-CB 3.37Å; V97-K106 HydrophobicContact CG2-CG 4.1Å; V97-L110 HydrophobicContact CB-CD1 4.19Å; V97-L110 HydrophobicContact CG1-CD1 4.29Å; V97-L110 HydrophobicContact CG2-CD1 3.96Å
98N98.2Very high98.2Very high89 Ų8936.7 Ų36.748%0.47620%0.195SC..  trans-120113.8172-174.3-13.1000109.6V69 M100 S103V69-N98 PolarHBondContact O-ND2 3Å; N98-M100 PolarHBondContact OD1-N 3.22Å; N98-S103 WeakPolarHBondContact CA-OG 3.43Å
99M97.8Very high98.2Very high32 Ų3236.4 Ų36.416%0.15819%0.193CC..  trans-133.846.5168.8-171.6179.8-8600108C101 G102 S103 K106 I427 I433M99-C101 PolarHBondContact O-N 3.46Å; M99-G102 WeakPolarHBondContact O-CA 3.2Å; M99-G102 PolarHBondContact O-N 3.17Å; M99-S103 PolarHBondContact N-OG 2.99Å; M99-S103 PolarHBondContact O-N 2.89Å; M99-K106 HydrophobicContact CB-CB 4.28Å; M99-K106 HydrophobicContact CB-CG 4.43Å; M99-K106 HydrophobicContact CE-CD 3.75Å; M99-K106 HydrophobicContact CE-CG 3.89Å; M99-K106 HydrophobicContact SD-CB 3.97Å; M99-K106 HydrophobicContact SD-CD 3.95Å; M99-K106 HydrophobicContact SD-CG 3.89Å; M99-I427 HydrophobicContact CG-CD1 3.88Å; M99-I427 HydrophobicContact CG-CG2 4.18Å; M99-I427 WeakPolarHBondContact O-CG2 3.45Å; M99-I427 HydrophobicContact SD-CD1 3.82Å; M99-I433 HydrophobicContact SD-CD1 4.32Å
100M97.5Very high98.2Very high40 Ų4036.1 Ų36.120%0.19719%0.189CC..G310 helixtrans48.4-133.1-176.1-51.7-65.1-74.100111.9V69 N98 G102 S103 D173 I427V69-M100 HydrophobicContact CG1-SD 4.18Å; V69-M100 VanDerWaalsContact CG2-O 3.3Å; V69-M100 WeakPolarHBondContact CG2-O 3.42Å; N98-M100 PolarHBondContact OD1-N 3.22Å; M100-G102 PolarHBondContact O-N 3.19Å; M100-S103 PolarHBondContact N-OG 3.09Å; M100-S103 WeakPolarHBondContact O-CB 3.46Å; M100-S103 PolarHBondContact O-N 2.97Å; M100-S103 PolarHBondContact O-OG 3.07Å; M100-D173 WeakPolarHBondContact CE-O 3.5Å; M100-I427 HydrophobicContact CB-CG2 3.98Å; M100-I427 HydrophobicContact CG-CG2 4.34Å
101C97.6Very high98.2Very high13 Ų1327.8 Ų27.89%0.08816%0.156CC..G310 helixtrans-55.3-21.9177.9-55.50000114M99 H381 V383 L425M99-C101 PolarHBondContact O-N 3.46Å; C101-H381 PolarHBondContact SG-NE2 2.8Å; C101-V383 CarbonylContact C-O 3.55Å; C101-V383 WeakPolarHBondContact CA-O 3.42Å; C101-L425 HydrophobicContact CB-CD1 4.49Å
102G98Very high98.3Very high0 Ų023.7 Ų23.70%013%0.125CC..G310 helixtrans-89.4-2.2178.500000115.8M99 M100 G104 L105 K106M99-G102 WeakPolarHBondContact O-CA 3.2Å; M99-G102 PolarHBondContact O-N 3.17Å; M100-G102 PolarHBondContact O-N 3.19Å; G102-G104 VanDerWaalsContact C-N 3.32Å; G102-G104 PolarHBondContact O-N 3.07Å; G102-L105 PolarHBondContact O-N 3.13Å; G102-L105 VanDerWaalsContact O-N 3.08Å; G102-K106 VanDerWaalsContact O-CB 3.32Å; G102-K106 WeakPolarHBondContact O-CB 3.39Å; G102-K106 PolarHBondContact O-N 3.4Å
103S98.7Very high98.3Very high0 Ų026.1 Ų26.10%014%0.138CC..Hα-helixtrans-51.9-48.8-177.5-56.80000112.4G67 V97 N98 M99 M100 L105 K106 S107G67-S103 VanDerWaalsContact CA-CB 3.49Å; V97-S103 WeakPolarHBondContact O-CB 3.37Å; N98-S103 WeakPolarHBondContact CA-OG 3.43Å; M99-S103 PolarHBondContact N-OG 2.99Å; M99-S103 PolarHBondContact O-N 2.89Å; M100-S103 PolarHBondContact N-OG 3.09Å; M100-S103 WeakPolarHBondContact O-CB 3.46Å; M100-S103 PolarHBondContact O-N 2.97Å; M100-S103 PolarHBondContact O-OG 3.07Å; S103-L105 PolarHBondContact O-N 2.76Å; S103-K106 PolarHBondContact O-N 2.91Å; S103-S107 PolarHBondContact O-N 2.95Å
104G98.8Very high98.2Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-67.6-29.8-17900000114.3G102 S107 G384G102-G104 VanDerWaalsContact C-N 3.32Å; G102-G104 PolarHBondContact O-N 3.07Å; G104-S107 PolarHBondContact O-OG 3.37Å; G104-G384 WeakPolarHBondContact CA-O 3.44Å; G104-G384 PolarHBondContact N-O 3.39Å
105L98.8Very high98Very high0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-81.2-35.5174-164.659.6000111G102 S103 S107 V108 C109 G387 L391 L425 I433 I435G102-L105 PolarHBondContact O-N 3.13Å; G102-L105 VanDerWaalsContact O-N 3.08Å; S103-L105 PolarHBondContact O-N 2.76Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 3.3Å; L105-V108 WeakPolarHBondContact O-CB 3.4Å; L105-V108 PolarHBondContact O-N 2.83Å; L105-V108 VanDerWaalsContact O-N 3.17Å; L105-C109 PolarHBondContact O-N 3.23Å; L105-C109 PolarHBondContact O-SG 3.48Å; L105-G387 WeakPolarHBondContact CD1-O 3.49Å; L105-L391 HydrophobicContact CD1-CB 4.15Å; L105-L391 HydrophobicContact CD1-CD2 4Å; L105-L425 HydrophobicContact CB-CD2 4.04Å; L105-L425 HydrophobicContact CD2-CD2 4.08Å; L105-I433 HydrophobicContact CD2-CG1 4.31Å; L105-I433 HydrophobicContact CD2-CG2 4.05Å; L105-I435 HydrophobicContact CD1-CB 4.18Å; L105-I435 HydrophobicContact CD1-CG2 3.46Å; L105-I435 VanDerWaalsContact CD1-CG2 3.46Å; L105-I435 HydrophobicContact CD2-CB 4.42Å; L105-I435 HydrophobicContact CD2-CG2 4.07Å; L105-I435 HydrophobicContact CG-CB 4.47Å; L105-I435 HydrophobicContact CG-CG2 4.15Å
106K98.9Very high97.8Very high22 Ų2225.8 Ų25.810%0.09614%0.136CC..Hα-helixtrans-63.6-37.7178.4-177.158.7-178.9-1790111.4V97 M99 G102 S103 V108 C109 L110 W311 I433V97-K106 HydrophobicContact CG2-CG 4.1Å; M99-K106 HydrophobicContact CB-CB 4.28Å; M99-K106 HydrophobicContact CB-CG 4.43Å; M99-K106 HydrophobicContact CE-CD 3.75Å; M99-K106 HydrophobicContact CE-CG 3.89Å; M99-K106 HydrophobicContact SD-CB 3.97Å; M99-K106 HydrophobicContact SD-CD 3.95Å; M99-K106 HydrophobicContact SD-CG 3.89Å; G102-K106 VanDerWaalsContact O-CB 3.32Å; G102-K106 WeakPolarHBondContact O-CB 3.39Å; G102-K106 PolarHBondContact O-N 3.4Å; S103-K106 PolarHBondContact O-N 2.91Å; K106-V108 VanDerWaalsContact C-N 3.3Å; K106-V108 PolarHBondContact O-N 3.26Å; K106-C109 HydrophobicContact CD-CB 4.41Å; K106-C109 WeakPolarHBondContact O-CB 3.31Å; K106-C109 PolarHBondContact O-N 2.76Å; K106-L110 HydrophobicContact CD-CG 4.42Å; K106-L110 HydrophobicContact CG-CD1 4.06Å; K106-L110 HydrophobicContact CG-CG 4.41Å; K106-L110 VanDerWaalsContact O-CG 3.27Å; K106-L110 WeakPolarHBondContact O-CG 3.37Å; K106-L110 PolarHBondContact O-N 3.29Å; K106-W311 VanDerWaalsContact NZ-CH2 3.28Å; K106-I433 HydrophobicContact CB-CD1 4.12Å; K106-I433 HydrophobicContact CD-CD1 4.07Å
107S98.9Very high97.4Very high0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-59.6-40.5173.866.90000112.3I65 S103 G104 L105 L110 G111 G129I65-S107 VanDerWaalsContact O-CB 3.28Å; I65-S107 WeakPolarHBondContact O-CB 3.32Å; S103-S107 PolarHBondContact O-N 2.95Å; G104-S107 PolarHBondContact O-OG 3.37Å; L105-S107 VanDerWaalsContact C-N 3.31Å; L105-S107 PolarHBondContact O-N 3.3Å; S107-L110 PolarHBondContact O-N 2.86Å; S107-G111 PolarHBondContact O-N 3Å; S107-G129 WeakPolarHBondContact CB-O 3.45Å; S107-G129 PolarHBondContact OG-N 3.39Å; S107-G129 VanDerWaalsContact OG-N 3.09Å; S107-G129 PolarHBondContact OG-O 3.45Å
108V98.9Very high96.6Very high0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-66.6-39.9175.4-179.70000111L105 K106 L110 G111 F112 A128 L288 L290 I308 L391 I435L105-V108 WeakPolarHBondContact O-CB 3.4Å; L105-V108 PolarHBondContact O-N 2.83Å; L105-V108 VanDerWaalsContact O-N 3.17Å; K106-V108 VanDerWaalsContact C-N 3.3Å; K106-V108 PolarHBondContact O-N 3.26Å; V108-L110 VanDerWaalsContact C-N 3.34Å; V108-G111 PolarHBondContact O-N 3.08Å; V108-F112 WeakPolarHBondContact O-CB 3.43Å; V108-F112 PolarHBondContact O-N 3.47Å; V108-A128 HydrophobicContact CB-CB 4.35Å; V108-A128 HydrophobicContact CG2-CB 3.93Å; V108-L288 HydrophobicContact CG2-CD1 3.92Å; V108-L290 HydrophobicContact CG1-CD1 4.13Å; V108-L290 HydrophobicContact CG1-CD2 4.38Å; V108-I308 HydrophobicContact CG1-CD1 3.95Å; V108-L391 HydrophobicContact CB-CD2 4.29Å; V108-L391 HydrophobicContact CG1-CD2 3.72Å; V108-L391 HydrophobicContact CG2-CD2 4.2Å; V108-I435 HydrophobicContact CG1-CD1 3.86Å
109C98.7Very high95.3Very high0 Ų031.7 Ų31.70%017%0.174CC..Hα-helixtrans-62.9-40.8174.9-60.50000111.8L105 K106 F112 D113 W311L105-C109 PolarHBondContact O-N 3.23Å; L105-C109 PolarHBondContact O-SG 3.48Å; K106-C109 HydrophobicContact CD-CB 4.41Å; K106-C109 WeakPolarHBondContact O-CB 3.31Å; K106-C109 PolarHBondContact O-N 2.76Å; C109-F112 WeakPolarHBondContact O-CB 3.45Å; C109-F112 PolarHBondContact O-N 2.85Å; C109-D113 VanDerWaalsContact O-CG 3.3Å; C109-D113 PolarHBondContact O-N 3.03Å; C109-W311 HydrophobicContact CB-CB 4.38Å; C109-W311 HydrophobicContact CB-CD2 3.65Å; C109-W311 HydrophobicContact CB-CE3 4.15Å; C109-W311 HydrophobicContact CB-CG 3.72Å; C109-W311 VanDerWaalsContact SG-CB 3.57Å; C109-W311 VanDerWaalsContact SG-CG 3.58Å
110L98.6Very high93.5Very high42 Ų4236.2 Ų36.222%0.2221%0.209CC..Hα-helixtrans-65.7-42.3175.8-70.7162.5000111.5I65 W95 V97 K106 S107 V108 F112 D113 R114I65-L110 HydrophobicContact CD1-CB 3.84Å; I65-L110 HydrophobicContact CG2-CD1 4.28Å; W95-L110 HydrophobicContact CH2-CD1 3.63Å; W95-L110 HydrophobicContact CZ2-CD1 4.48Å; W95-L110 HydrophobicContact CZ3-CD1 4.23Å; V97-L110 HydrophobicContact CB-CD1 4.19Å; V97-L110 HydrophobicContact CG1-CD1 4.29Å; V97-L110 HydrophobicContact CG2-CD1 3.96Å; K106-L110 HydrophobicContact CD-CG 4.42Å; K106-L110 HydrophobicContact CG-CD1 4.06Å; K106-L110 HydrophobicContact CG-CG 4.41Å; K106-L110 VanDerWaalsContact O-CG 3.27Å; K106-L110 WeakPolarHBondContact O-CG 3.37Å; K106-L110 PolarHBondContact O-N 3.29Å; S107-L110 PolarHBondContact O-N 2.86Å; V108-L110 VanDerWaalsContact C-N 3.34Å; L110-F112 VanDerWaalsContact C-N 3.32Å; L110-F112 PolarHBondContact O-N 3.44Å; L110-D113 PolarHBondContact O-N 2.87Å; L110-R114 WeakPolarHBondContact O-CB 3.34Å; L110-R114 PolarHBondContact O-N 3.2Å
111G98.1Very high91.9Very high0 Ų038.5 Ų38.50%022%0.224CC..Hα-helixtrans-63-38.317300000112.7S107 V108 L115S107-G111 PolarHBondContact O-N 3Å; V108-G111 PolarHBondContact O-N 3.08Å; G111-L115 WeakPolarHBondContact O-CB 3.3Å; G111-L115 VanDerWaalsContact O-CG 3.29Å; G111-L115 WeakPolarHBondContact O-CG 3.48Å; G111-L115 PolarHBondContact O-N 2.94Å
112F98Very high90.9Very high30 Ų3044.8 Ų44.813%0.13226%0.257CS..Hα-helixtrans-60.5-49.2171.6168.5-91.5000111.9V6 V108 C109 L110 R114 L115 S116 I308 W311V6-F112 HydrophobicContact CB-CD2 3.71Å; V6-F112 HydrophobicContact CB-CE2 4.18Å; V6-F112 HydrophobicContact CG1-CD2 4.25Å; V6-F112 HydrophobicContact CG2-CD2 3.83Å; V6-F112 HydrophobicContact CG2-CE2 4.16Å; V108-F112 WeakPolarHBondContact O-CB 3.43Å; V108-F112 PolarHBondContact O-N 3.47Å; C109-F112 WeakPolarHBondContact O-CB 3.45Å; C109-F112 PolarHBondContact O-N 2.85Å; L110-F112 VanDerWaalsContact C-N 3.32Å; L110-F112 PolarHBondContact O-N 3.44Å; F112-R114 PolarHBondContact O-N 2.97Å; F112-L115 PolarHBondContact O-N 3.41Å; F112-S116 VanDerWaalsContact O-CB 3.31Å; F112-S116 WeakPolarHBondContact O-CB 3.33Å; F112-S116 PolarHBondContact O-N 2.95Å; F112-S116 PolarHBondContact O-OG 3.34Å; F112-I308 HydrophobicContact CB-CD1 4.32Å; F112-I308 HydrophobicContact CB-CG2 4.44Å; F112-I308 HydrophobicContact CD2-CB 3.68Å; F112-I308 HydrophobicContact CD2-CD1 4.37Å; F112-I308 HydrophobicContact CD2-CG2 3.37Å; F112-I308 HydrophobicContact CE2-CB 4.08Å; F112-I308 HydrophobicContact CE2-CG2 3.77Å; F112-I308 HydrophobicContact CG-CG2 3.98Å; F112-W311 AromaticContact CD1-CD1 3.49Å; F112-W311 VanDerWaalsContact CD1-CD1 3.49Å; F112-W311 AromaticContact CD1-NE1 3.69Å; F112-W311 AromaticContact CE1-CD1 3.95Å
113D96.6Very high90.4Very high56 Ų5644.8 Ų44.830%0.29926%0.258SS..Hα-helixtrans-62.3-45.6179.3-68-21.9000110.4C109 L110 L115 S116 L117 W311C109-D113 VanDerWaalsContact O-CG 3.3Å; C109-D113 PolarHBondContact O-N 3.03Å; L110-D113 PolarHBondContact O-N 2.87Å; D113-L115 PolarHBondContact O-N 3.02Å; D113-S116 PolarHBondContact O-N 2.82Å; D113-S116 VanDerWaalsContact O-N 3.12Å; D113-L117 WeakPolarHBondContact O-CG 3.44Å; D113-L117 PolarHBondContact O-N 3.42Å; D113-L117 VanDerWaalsContact O-N 3.16Å; D113-W311 PolarHBondContact OD1-NE1 2.95Å; D113-W311 WeakPolarHBondContact OD2-CZ2 3.17Å; D113-W311 PolarHBondContact OD2-NE1 2.91Å
114R94.7Very high90.2Very high94 Ų9444.8 Ų44.836%0.35526%0.258SS..Hα-helixtrans-55.8-50.1178.1178.666.7-159.6160.17.5111.9E62 E63 L110 F112 S116 L117 V126E62-R114 IonicContact OE2-CZ 3.36Å; E62-R114 IonicContact OE2-NE 3.07Å; E62-R114 PolarHBondContact OE2-NE 2.93Å; E62-R114 IonicContact OE2-NH2 2.86Å; E62-R114 PolarHBondContact OE2-NH2 3.46Å; E63-R114 VanDerWaalsContact OE1-CG 3.3Å; E63-R114 WeakPolarHBondContact OE1-CG 3.42Å; L110-R114 WeakPolarHBondContact O-CB 3.34Å; L110-R114 PolarHBondContact O-N 3.2Å; F112-R114 PolarHBondContact O-N 2.97Å; R114-S116 VanDerWaalsContact C-N 3.25Å; R114-S116 PolarHBondContact O-N 2.93Å; R114-L117 PolarHBondContact O-N 3.49Å; R114-V126 HydrophobicContact CG-CG2 4.29Å
115L95.4Very high90.1Very high3 Ų344.8 Ų44.82%0.01626%0.258CS..Hα-helixtrans-72.5-17.2-179.7-68.8173.8000113.6V6 G111 F112 D113 V126 L290 R292V6-L115 HydrophobicContact CG1-CB 4.19Å; V6-L115 HydrophobicContact CG1-CD1 3.71Å; V6-L115 HydrophobicContact CG2-CB 3.63Å; G111-L115 WeakPolarHBondContact O-CB 3.3Å; G111-L115 VanDerWaalsContact O-CG 3.29Å; G111-L115 WeakPolarHBondContact O-CG 3.48Å; G111-L115 PolarHBondContact O-N 2.94Å; F112-L115 PolarHBondContact O-N 3.41Å; D113-L115 PolarHBondContact O-N 3.02Å; L115-V126 HydrophobicContact CD1-CB 4.1Å; L115-V126 HydrophobicContact CD1-CG2 4.13Å; L115-V126 HydrophobicContact CD2-CG2 3.96Å; L115-V126 HydrophobicContact CG-CB 4.36Å; L115-V126 HydrophobicContact CG-CG2 3.82Å; L115-L290 HydrophobicContact CD1-CB 3.62Å; L115-R292 HydrophobicContact CD2-CB 4.42Å; L115-R292 WeakPolarHBondContact O-CD 3.31Å
116S94Very high90.1Very high63 Ų6344.8 Ų44.844%0.44126%0.258SS..Hα-helixtrans-85.4-19.8176.4-610000113F112 D113 R114F112-S116 VanDerWaalsContact O-CB 3.31Å; F112-S116 WeakPolarHBondContact O-CB 3.33Å; F112-S116 PolarHBondContact O-N 2.95Å; F112-S116 PolarHBondContact O-OG 3.34Å; D113-S116 PolarHBondContact O-N 2.82Å; D113-S116 VanDerWaalsContact O-N 3.12Å; R114-S116 VanDerWaalsContact C-N 3.25Å; R114-S116 PolarHBondContact O-N 2.93Å
117L90.7Very high90.1Very high101 Ų10143.8 Ų43.853%0.52925%0.253SS..SBendtrans-70.8143.1176.1-68.4172.6000110.6D113 R114 S119D113-L117 WeakPolarHBondContact O-CG 3.44Å; D113-L117 PolarHBondContact O-N 3.42Å; D113-L117 VanDerWaalsContact O-N 3.16Å; R114-L117 PolarHBondContact O-N 3.49Å; L117-S119 PolarHBondContact O-N 2.89Å
118P81.1Confident90.1Very high131 Ų13143.8 Ų43.885%0.85125%0.253SS*.  trans-57.6127.9167.8-2132.2000109.8
119S71.1Confident90.1Very high38 Ų3843.8 Ų43.827%0.26625%0.253SS..  trans-117.3131.8173.9-178.70000109.5L117 V121L117-S119 PolarHBondContact O-N 2.89Å; S119-V121 VanDerWaalsContact C-N 3.33Å; S119-V121 WeakPolarHBondContact OG-CG2 3.36Å; S119-V121 PolarHBondContact OG-N 3.05Å; S119-V121 PolarHBondContact OG-O 3.09Å; S119-V121 VanDerWaalsContact OG-O 3.07Å
120S61Low90.1Very high128 Ų12843.8 Ų43.890%0.89525%0.253SS*.SBendtrans-86.1-5.5171.262.10000113.1
121V64.4Low90.1Very high87 Ų8741.8 Ų41.853%0.52724%0.243SC..SBendtrans-108149.7179.4-640000110.8S119 G123S119-V121 VanDerWaalsContact C-N 3.33Å; S119-V121 WeakPolarHBondContact OG-CG2 3.36Å; S119-V121 PolarHBondContact OG-N 3.05Å; S119-V121 PolarHBondContact OG-O 3.09Å; S119-V121 VanDerWaalsContact OG-O 3.07Å; V121-G123 PolarHBondContact O-N 3.02Å
122D74.8Confident90.1Very high145 Ų14541.8 Ų41.878%0.77524%0.243SC*.SBendtrans-57.3126.2166.7-69.4-35.7000108.8
123G89.1Confident90.2Very high1 Ų140.7 Ų40.71%0.0124%0.239CC..  trans-176.4-148.3-171.300000109.4H60 V121 Q295H60-G123 CarbonylContact O-C 3.44Å; H60-G123 WeakPolarHBondContact O-CA 3.43Å; V121-G123 PolarHBondContact O-N 3.02Å; G123-Q295 PolarHBondContact O-NE2 3.49Å
124G93.8Very high90.3Very high0 Ų038.1 Ų38.10%023%0.225CC..  trans104.414.4174.800000114.9E62 C291 R292E62-G124 PolarHBondContact OE1-N 3.12Å; G124-C291 CarbonylContact O-C 3.5Å; G124-C291 WeakPolarHBondContact O-CA 3.24Å; G124-C291 WeakPolarHBondContact O-CB 3.4Å; G124-R292 PolarHBondContact O-N 3.33Å
125W97.1Very high90.4Very high0 Ų034.9 Ų34.90%022%0.217CC..EExtended strand (participates in β ladder)trans-127.4139172.1-63.785.7000111.2V9 H56 I57 H60 L61 E62 L289 L290 C291 Q295 L299V9-W125 HydrophobicContact CG2-CH2 4.38Å; V9-W125 HydrophobicContact CG2-CZ3 3.7Å; H56-W125 AromaticContact CD2-NE1 3.94Å; H56-W125 AromaticContact NE2-NE1 3.88Å; I57-W125 HydrophobicContact CD1-CH2 4.25Å; I57-W125 HydrophobicContact CD1-CZ3 4.21Å; I57-W125 HydrophobicContact CG1-CD2 4.04Å; I57-W125 HydrophobicContact CG1-CE3 4.13Å; I57-W125 HydrophobicContact CG1-CH2 4.09Å; I57-W125 HydrophobicContact CG1-CZ2 4Å; I57-W125 HydrophobicContact CG1-CZ3 4.13Å; I57-W125 HydrophobicContact CG2-CD2 4.25Å; I57-W125 HydrophobicContact CG2-CE3 4.21Å; I57-W125 HydrophobicContact CG2-CG 4.4Å; H60-W125 PolarHBondContact O-N 3.04Å; L61-W125 HydrophobicContact CD1-CB 4.07Å; E62-W125 PolarHBondContact N-O 2.98Å; W125-L289 HydrophobicContact CE3-CD1 3.85Å; W125-L289 HydrophobicContact CE3-CD2 3.97Å; W125-L289 HydrophobicContact CE3-CG 3.83Å; W125-L289 HydrophobicContact CZ3-CD1 4.43Å; W125-L289 HydrophobicContact CZ3-CD2 3.74Å; W125-L289 HydrophobicContact CZ3-CG 3.91Å; W125-L290 WeakPolarHBondContact CA-O 3.31Å; W125-C291 HydrophobicContact CD2-CB 3.73Å; W125-C291 HydrophobicContact CE3-CB 3.5Å; W125-C291 HydrophobicContact CH2-CB 3.75Å; W125-C291 HydrophobicContact CZ2-CB 3.96Å; W125-C291 HydrophobicContact CZ3-CB 3.53Å; W125-Q295 HydrophobicContact CZ2-CB 3.82Å; W125-L299 HydrophobicContact CH2-CD2 3.81Å; W125-L299 HydrophobicContact CH2-CG 4.35Å
126V98.1Very high90.5Very high0 Ų039.6 Ų39.60%024%0.239CC..EExtended strand (participates in β ladder)trans-139.3136.7172.91710000109E62 E63 I65 R114 L115 A128 L290E62-V126 HydrophobicContact CB-CG2 4.31Å; E63-V126 HydrophobicContact CG-CG1 4.29Å; E63-V126 HydrophobicContact CG-CG2 4.08Å; I65-V126 HydrophobicContact CD1-CG1 4.31Å; I65-V126 HydrophobicContact CG1-CG1 4.43Å; R114-V126 HydrophobicContact CG-CG2 4.29Å; L115-V126 HydrophobicContact CD1-CB 4.1Å; L115-V126 HydrophobicContact CD1-CG2 4.13Å; L115-V126 HydrophobicContact CD2-CG2 3.96Å; L115-V126 HydrophobicContact CG-CB 4.36Å; L115-V126 HydrophobicContact CG-CG2 3.82Å; V126-A128 HydrophobicContact CG1-CB 4.38Å; V126-L290 PolarHBondContact N-O 2.57Å; V126-L290 PolarHBondContact O-N 2.9Å
127I98.9Very high90.7Very high1 Ų137.3 Ų37.31%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-96.4122.8166.7-67.5167.5000107.5I36 L40 L61 E63 V64 I65 I88 I287 L289I36-I127 HydrophobicContact CG1-CG2 4.17Å; I36-I127 HydrophobicContact CG2-CD1 3.99Å; L40-I127 HydrophobicContact CD1-CD1 4.48Å; L40-I127 HydrophobicContact CD2-CD1 4.29Å; L40-I127 HydrophobicContact CG-CD1 4.5Å; L61-I127 HydrophobicContact CD1-CD1 4.17Å; L61-I127 HydrophobicContact CD1-CG1 3.93Å; L61-I127 HydrophobicContact CD2-CD1 3.73Å; L61-I127 HydrophobicContact CD2-CG1 4.39Å; E63-I127 PolarHBondContact O-N 3.33Å; E63-I127 VanDerWaalsContact O-N 3.11Å; V64-I127 CarbonylContact C-O 3.6Å; V64-I127 WeakPolarHBondContact CA-O 3.37Å; V64-I127 HydrophobicContact CB-CB 4.44Å; V64-I127 HydrophobicContact CG1-CB 4.17Å; V64-I127 HydrophobicContact CG1-CG2 3.97Å; V64-I127 HydrophobicContact CG2-CB 4.14Å; V64-I127 HydrophobicContact CG2-CD1 4.27Å; I65-I127 PolarHBondContact N-O 2.95Å; I88-I127 HydrophobicContact CD1-CD1 3.8Å; I127-I287 HydrophobicContact CG2-CG2 3.56Å; I127-L289 HydrophobicContact CG1-CD1 3.66Å
128A98.9Very high91Very high0 Ų034.1 Ų34.10%021%0.209CC..EExtended strand (participates in β ladder)trans-131.6147-179.700000110.8I65 V108 V126 L288 L290I65-A128 VanDerWaalsContact O-CA 3.31Å; I65-A128 WeakPolarHBondContact O-CA 3.37Å; V108-A128 HydrophobicContact CB-CB 4.35Å; V108-A128 HydrophobicContact CG2-CB 3.93Å; V126-A128 HydrophobicContact CG1-CB 4.38Å; A128-L288 PolarHBondContact N-O 2.88Å; A128-L288 WeakPolarHBondContact O-CA 3.48Å; A128-L288 PolarHBondContact O-N 3.25Å; A128-L288 VanDerWaalsContact O-O 3.08Å; A128-L290 HydrophobicContact CB-CD1 4.08Å
129G98.9Very high91.6Very high0 Ų033.3 Ų33.30%019%0.193CC..EExtended strand (participates in β ladder)trans171.4-153177.800000113I65 L66 G67 S107 A286I65-G129 PolarHBondContact O-N 3.33Å; I65-G129 VanDerWaalsContact O-N 3.14Å; L66-G129 CarbonylContact C-O 3.48Å; L66-G129 WeakPolarHBondContact CA-O 3.24Å; G67-G129 PolarHBondContact N-O 3.14Å; S107-G129 WeakPolarHBondContact CB-O 3.45Å; S107-G129 PolarHBondContact OG-N 3.39Å; S107-G129 VanDerWaalsContact OG-N 3.09Å; S107-G129 PolarHBondContact OG-O 3.45Å; G129-A286 CarbonylContact C-O 3.51Å; G129-A286 WeakPolarHBondContact CA-O 3.42Å
130G98.8Very high92.6Very high0 Ų033 Ų330%019%0.193CC..EExtended strand (participates in β ladder)trans-151.2157.517200000112.6G67 A285 A286 G384G67-G130 CarbonylContact O-C 3.59Å; G67-G130 WeakPolarHBondContact O-CA 3.5Å; G130-A285 CarbonylContact O-C 3.6Å; G130-A285 VanDerWaalsContact O-CA 3.29Å; G130-A285 WeakPolarHBondContact O-CA 3.33Å; G130-A286 PolarHBondContact N-O 3.3Å; G130-A286 PolarHBondContact O-N 2.98Å; G130-G384 WeakPolarHBondContact CA-O 3.36Å
131Q98.9Very high93.8Very high0 Ų029.3 Ų29.30%017%0.165CC..EExtended strand (participates in β ladder)trans-140.6141.817964.5-17730.700108.7A28 L66 G67 Q68 P78 A82 A285A28-Q131 HydrophobicContact CB-CB 4.31Å; A28-Q131 HydrophobicContact CB-CG 4.01Å; A28-Q131 WeakPolarHBondContact O-CB 3.29Å; A28-Q131 PolarHBondContact O-OE1 3.27Å; L66-Q131 HydrophobicContact CD1-CG 4.4Å; L66-Q131 VanDerWaalsContact CD1-OE1 3.26Å; G67-Q131 PolarHBondContact O-N 3.08Å; Q68-Q131 HydrophobicContact CB-CG 4.33Å; Q68-Q131 WeakPolarHBondContact CB-O 3.47Å; Q68-Q131 WeakPolarHBondContact CG-O 3.25Å; P78-Q131 PolarHBondContact O-NE2 2.65Å; A82-Q131 VanDerWaalsContact CB-OE1 3.29Å; Q131-A285 HydrophobicContact CB-CB 4.12Å
132E98.7Very high94.5Very high0 Ų026.9 Ų26.90%015%0.151CC..EExtended strand (participates in β ladder)trans-151.3141.6177-164.658.5-85.900110.9V69 L70 M134 D283 G284 P382 V383 G384 C385V69-E132 WeakPolarHBondContact CB-OE2 3.43Å; V69-E132 PolarHBondContact N-OE2 2.98Å; L70-E132 PolarHBondContact N-OE2 3Å; E132-M134 HydrophobicContact CG-CG 3.7Å; E132-D283 WeakPolarHBondContact O-CA 3.19Å; E132-G284 PolarHBondContact N-O 2.8Å; E132-G284 PolarHBondContact O-N 2.79Å; E132-P382 HydrophobicContact CB-CB 3.98Å; E132-V383 HydrophobicContact CG-CG2 3.92Å; E132-G384 PolarHBondContact OE2-N 3.02Å; E132-C385 HydrophobicContact CB-CB 4.45Å
133S98.5Very high94.4Very high6 Ų625.9 Ų25.94%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-134.586.9170.7-176.70000107.7L26 S135 Q136 D283L26-S133 PolarHBondContact O-OG 3.09Å; S133-S135 PolarHBondContact O-N 3Å; S133-Q136 PolarHBondContact O-N 2.95Å; S133-D283 VanDerWaalsContact C-OD1 3.3Å; S133-D283 VanDerWaalsContact CA-OD1 3.31Å; S133-D283 WeakPolarHBondContact CA-OD1 3.4Å
134M98.5Very high93.5Very high2 Ų234.5 Ų34.51%0.0119%0.185CC..G310 helixtrans-69-27179.1-59.3-176.475.900110.4M19 L70 E132 Q136 A137 I170 L175 V281 N282 D283 V383M19-M134 HydrophobicContact CE-CB 4.27Å; M19-M134 HydrophobicContact SD-CB 4.29Å; L70-M134 HydrophobicContact CD1-CB 4.29Å; L70-M134 HydrophobicContact CD1-CE 4.41Å; L70-M134 HydrophobicContact CD1-CG 3.93Å; E132-M134 HydrophobicContact CG-CG 3.7Å; M134-Q136 VanDerWaalsContact C-N 3.28Å; M134-Q136 PolarHBondContact O-N 3.23Å; M134-A137 VanDerWaalsContact O-CB 3.31Å; M134-A137 WeakPolarHBondContact O-CB 3.13Å; M134-A137 PolarHBondContact O-N 2.62Å; M134-I170 HydrophobicContact CE-CG2 3.7Å; M134-L175 HydrophobicContact CE-CD1 4.39Å; M134-L175 HydrophobicContact CE-CD2 4.39Å; M134-L175 HydrophobicContact CE-CG 4.47Å; M134-V281 HydrophobicContact CB-CG1 3.7Å; M134-V281 HydrophobicContact CE-CG1 3.6Å; M134-V281 HydrophobicContact CG-CG1 4.3Å; M134-V281 HydrophobicContact SD-CG1 3.73Å; M134-N282 VanDerWaalsContact CG-O 3.23Å; M134-N282 WeakPolarHBondContact CG-O 3.47Å; M134-D283 PolarHBondContact N-OD1 3.35Å; M134-V383 HydrophobicContact CE-CG1 4.12Å; M134-V383 HydrophobicContact CE-CG2 4.22Å; M134-V383 HydrophobicContact SD-CG1 4.18Å; M134-V383 HydrophobicContact SD-CG2 4.13Å
135S98.2Very high92.5Very high26 Ų2634.8 Ų34.818%0.18219%0.187CC..G310 helixtrans-64.1-28.4174-63.70000114M19 S20 S133 D283M19-S135 VanDerWaalsContact SD-CA 3.5Å; S20-S135 PolarHBondContact N-OG 3.29Å; S133-S135 PolarHBondContact O-N 3Å; S135-D283 WeakPolarHBondContact CB-OD1 3.3Å; S135-D283 VanDerWaalsContact CB-OD2 3.26Å; S135-D283 WeakPolarHBondContact CB-OD2 3.44Å; S135-D283 PolarHBondContact N-OD1 2.98Å; S135-D283 VanDerWaalsContact OG-CG 3.28Å; S135-D283 PolarHBondContact OG-OD1 2.93Å; S135-D283 PolarHBondContact OG-OD2 2.85Å
136Q97.5Very high91Very high103 Ų10336 Ų3648%0.48120%0.196SC..G310 helixtrans-96.43.9179.3-73.9-73.2-17.900113.1S24 S133 M134 P138S24-Q136 PolarHBondContact O-NE2 3.3Å; S133-Q136 PolarHBondContact O-N 2.95Å; M134-Q136 VanDerWaalsContact C-N 3.28Å; M134-Q136 PolarHBondContact O-N 3.23Å; Q136-P138 WeakPolarHBondContact O-CD 3.46Å
137A97.6Very high89.7Confident14 Ų1442.4 Ų42.412%0.11623%0.229CC..PPolyproline II helixtrans-66.7122.2177.200000109.9L70 M134 I170L70-A137 HydrophobicContact CB-CB 4.47Å; L70-A137 HydrophobicContact CD1-CB 3.77Å; M134-A137 VanDerWaalsContact O-CB 3.31Å; M134-A137 WeakPolarHBondContact O-CB 3.13Å; M134-A137 PolarHBondContact O-N 2.62Å; A137-I170 HydrophobicContact CB-CD1 3.99Å; A137-I170 HydrophobicContact CB-CG1 3.5Å
138P96.4Very high88.4Confident34 Ų3451.6 Ų51.622%0.22126%0.264CS..PPolyproline II helixtrans-79.7159.5-17433.9-37000111.3T72 Q136 T169T72-P138 HydrophobicContact CG2-CG 3.68Å; Q136-P138 WeakPolarHBondContact O-CD 3.46Å; P138-T169 WeakPolarHBondContact O-CB 3.27Å; P138-T169 WeakPolarHBondContact O-CG2 3.32Å; P138-T169 PolarHBondContact O-OG1 2.93Å
139H95Very high86.7Confident115 Ų11561.1 Ų61.153%0.53230%0.3SS..EExtended strand (participates in β ladder)trans-76.1144.7159.8-70.776.9000110.1L166 L167H139-L166 HydrophobicContact CB-CB 3.92Å; H139-L166 HydrophobicContact CB-CD1 3.96Å; H139-L166 HydrophobicContact CB-CG 4.46Å; H139-L167 CarbonylContact C-O 3.56Å; H139-L167 VanDerWaalsContact CA-O 3.26Å; H139-L167 WeakPolarHBondContact CA-O 3.2Å
140A91Very high85.1Confident30 Ų3063.7 Ų63.725%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-112.6157.8179.400000112.2L166 L167 T169A140-L166 CarbonylContact O-C 3.6Å; A140-L166 WeakPolarHBondContact O-CA 3.23Å; A140-L167 HydrophobicContact CB-CB 4.48Å; A140-L167 PolarHBondContact N-O 3.15Å; A140-L167 PolarHBondContact O-N 3.41Å; A140-T169 HydrophobicContact CB-CG2 3.77Å
141T86.7Confident83.6Confident51 Ų5167.8 Ų67.831%0.31336%0.363SS..  trans-81.2141170.1500000109.8A145 L147 F164 L166T141-A145 WeakPolarHBondContact CB-O 3.27Å; T141-A145 PolarHBondContact OG1-O 2.71Å; T141-L147 HydrophobicContact CG2-CD1 4.29Å; T141-L147 HydrophobicContact CG2-CG 4.38Å; T141-F164 HydrophobicContact CG2-CE2 4.33Å; T141-L166 HydrophobicContact CG2-CD2 4.06Å
142P79.7Confident82Confident36 Ų3671.3 Ų71.323%0.23440%0.399CS..  trans-64.4157.9177.522.8-30.7000112.1R144 A145 L167P142-R144 PolarHBondContact O-N 3.3Å; P142-A145 HydrophobicContact CG-CB 3.66Å; P142-A145 WeakPolarHBondContact O-CA 3.26Å; P142-A145 PolarHBondContact O-N 3.44Å; P142-L167 HydrophobicContact CB-CD1 4.07Å; P142-L167 HydrophobicContact CB-CD2 4.43Å; P142-L167 HydrophobicContact CB-CG 4.1Å
143P71.4Confident80.1Confident125 Ų12578.5 Ų78.581%0.81243%0.433SS*.THydrogen-bonded Turntrans-52.3-28.3-172-30.835.6000116.2
144R70.9Confident78.1Confident181 Ų18182.6 Ų82.668%0.68345%0.454SS*.THydrogen-bonded Turntrans-91.4-9.4177.9-54.2-168.7-171.8112.71.2114.3P142 C146 S156 E157P142-R144 PolarHBondContact O-N 3.3Å; R144-C146 PolarHBondContact O-N 3.37Å; R144-S156 WeakPolarHBondContact O-CA 3.19Å; R144-E157 HydrophobicContact CB-CB 4.28Å; R144-E157 HydrophobicContact CB-CG 4.12Å; R144-E157 VanDerWaalsContact CB-OE2 3.22Å; R144-E157 WeakPolarHBondContact CB-OE2 3.43Å; R144-E157 WeakPolarHBondContact CD-OE1 3.41Å; R144-E157 WeakPolarHBondContact CD-OE2 3.47Å; R144-E157 PolarHBondContact O-N 3Å
145A71.9Confident76.2Confident7 Ų785.8 Ų85.86%0.05847%0.474CS..  trans-99.448.6-179.500000112.2T141 P142 L147 L158T141-A145 WeakPolarHBondContact CB-O 3.27Å; T141-A145 PolarHBondContact OG1-O 2.71Å; P142-A145 HydrophobicContact CG-CB 3.66Å; P142-A145 WeakPolarHBondContact O-CA 3.26Å; P142-A145 PolarHBondContact O-N 3.44Å; A145-L147 PolarHBondContact O-N 2.96Å; A145-L158 HydrophobicContact CB-CD2 3.69Å; A145-L158 HydrophobicContact CB-CG 3.85Å
146C66.5Low74.4Confident26 Ų2685.5 Ų85.518%0.17647%0.472CS..  trans-71.8113.4-177.9-163.20000113.9R144 R148 S156R144-C146 PolarHBondContact O-N 3.37Å; C146-R148 PolarHBondContact O-N 3.22Å; C146-R148 PolarHBondContact SG-NE 3Å; C146-S156 WeakPolarHBondContact O-CB 3.44Å; C146-S156 PolarHBondContact O-OG 2.82Å
147L71.2Confident72.8Confident134 Ų13487.2 Ų87.270%0.70248%0.48SS*.  trans-62.5-7.2173.5-69.7169.9000114.7T141 A145 L158T141-L147 HydrophobicContact CG2-CD1 4.29Å; T141-L147 HydrophobicContact CG2-CG 4.38Å; A145-L147 PolarHBondContact O-N 2.96Å; L147-L158 HydrophobicContact CD2-CD1 3.42Å; L147-L158 VanDerWaalsContact CD2-CD1 3.42Å; L147-L158 HydrophobicContact CG-CD1 4.02Å
148R70.7Confident71.4Confident193 Ų19387.8 Ų87.873%0.72848%0.481SS*.  trans-72.7154.1175.7-62.3-179.5-71.4-167.8-3.7109.9C146 T155C146-R148 PolarHBondContact O-N 3.22Å; C146-R148 PolarHBondContact SG-NE 3Å; R148-T155 PolarHBondContact O-OG1 3.28Å
149R64Low70Confident201 Ų20188.7 Ų88.776%0.75849%0.487SS*.EExtended strand (participates in β ladder)trans-102.9137.2169.9-65.8-175.5-75.7178.5-4.1108.1
150A64.3Low68.8Low54 Ų5489.4 Ų89.445%0.44649%0.494SS..EExtended strand (participates in β ladder)trans-123.7137.1162.600000110.2G152 Q153 T155A150-G152 PolarHBondContact O-N 3.28Å; A150-G152 VanDerWaalsContact O-N 3.1Å; A150-Q153 PolarHBondContact N-O 2.93Å; A150-Q153 PolarHBondContact O-N 2.93Å; A150-Q153 VanDerWaalsContact O-O 3.05Å; A150-T155 HydrophobicContact CB-CG2 3.12Å
151G67.2Low67.8Low86 Ų8698.7 Ų98.789%0.88753%0.525SS*.THydrogen-bonded Turntrans60.419.9179.700000115Q153G151-Q153 PolarHBondContact O-N 2.9Å
152G65.9Low67.4Low73 Ų7399.1 Ų99.175%0.75354%0.54SS*.THydrogen-bonded Turntrans76.9-0.7-173.600000114.7A150A150-G152 PolarHBondContact O-N 3.28Å; A150-G152 VanDerWaalsContact O-N 3.1Å
153Q58.7Low67.5Low151 Ų151103.3 Ų103.371%0.70657%0.57SS**EExtended strand (participates in β ladder)trans-99.8151.5173.3-63.5-179.1-1000109.9A150 G151 T155A150-Q153 PolarHBondContact N-O 2.93Å; A150-Q153 PolarHBondContact O-N 2.93Å; A150-Q153 VanDerWaalsContact O-O 3.05Å; G151-Q153 PolarHBondContact O-N 2.9Å; Q153-T155 PolarHBondContact O-N 2.87Å; Q153-T155 VanDerWaalsContact O-N 3.11Å
154N57.2Low68Low93 Ų93102.1 Ų102.150%0.49755%0.552SS.*EExtended strand (participates in β ladder)trans-60.7115.7168.1-71.8-11.3000107.2S156 N160N154-S156 PolarHBondContact O-N 3.45Å; N154-N160 PolarHBondContact ND2-OD1 3.46Å; N154-N160 VanDerWaalsContact ND2-OD1 3.15Å
155T57.6Low68.7Low69 Ų6999.2 Ų99.242%0.42356%0.555SS.*  trans-75.5-5.9167.839.90000112.8R148 A150 Q153R148-T155 PolarHBondContact O-OG1 3.28Å; A150-T155 HydrophobicContact CB-CG2 3.12Å; Q153-T155 PolarHBondContact O-N 2.87Å; Q153-T155 VanDerWaalsContact O-N 3.11Å
156S61Low69.6Low19 Ų19102.8 Ų102.813%0.13357%0.572CS.*SBendtrans-92.7140.9-178.729.30000111.6R144 C146 N154 L158R144-S156 WeakPolarHBondContact O-CA 3.19Å; C146-S156 WeakPolarHBondContact O-CB 3.44Å; C146-S156 PolarHBondContact O-OG 2.82Å; N154-S156 PolarHBondContact O-N 3.45Å; S156-L158 VanDerWaalsContact CB-N 3.35Å; S156-L158 PolarHBondContact O-N 3.38Å; S156-L158 VanDerWaalsContact O-N 3.13Å
157E63Low70.8Confident139 Ų139104.3 Ų104.365%0.6558%0.578SS**  trans-70.417.6153.4-62179.9176.300111.7R144 P159R144-E157 HydrophobicContact CB-CB 4.28Å; R144-E157 HydrophobicContact CB-CG 4.12Å; R144-E157 VanDerWaalsContact CB-OE2 3.22Å; R144-E157 WeakPolarHBondContact CB-OE2 3.43Å; R144-E157 WeakPolarHBondContact CD-OE1 3.41Å; R144-E157 WeakPolarHBondContact CD-OE2 3.47Å; R144-E157 PolarHBondContact O-N 3Å; E157-P159 WeakPolarHBondContact O-CD 3.32Å
158L68.6Low72Confident26 Ų26100.4 Ų100.414%0.13656%0.558CS.*  trans-63.3123.8171.7-81.2169.7000105.8A145 L147 S156 N160 F164A145-L158 HydrophobicContact CB-CD2 3.69Å; A145-L158 HydrophobicContact CB-CG 3.85Å; L147-L158 HydrophobicContact CD2-CD1 3.42Å; L147-L158 VanDerWaalsContact CD2-CD1 3.42Å; L147-L158 HydrophobicContact CG-CD1 4.02Å; S156-L158 VanDerWaalsContact CB-N 3.35Å; S156-L158 PolarHBondContact O-N 3.38Å; S156-L158 VanDerWaalsContact O-N 3.13Å; L158-N160 PolarHBondContact O-N 3.31Å; L158-F164 HydrophobicContact CD2-CB 4.34Å; L158-F164 HydrophobicContact CD2-CD1 3.52Å; L158-F164 HydrophobicContact CD2-CD2 3.85Å; L158-F164 HydrophobicContact CD2-CE1 3.66Å; L158-F164 HydrophobicContact CD2-CE2 3.96Å; L158-F164 HydrophobicContact CD2-CG 3.63Å; L158-F164 HydrophobicContact CD2-CZ 3.88Å
159P66.4Low73.2Confident53 Ų5391.4 Ų91.434%0.34452%0.524SS..  trans-60.1130.9-177.124.7-33.4000109E157 Y161 G162E157-P159 WeakPolarHBondContact O-CD 3.32Å; P159-Y161 WeakPolarHBondContact CB-O 3.43Å; P159-Y161 PolarHBondContact O-N 2.92Å; P159-G162 WeakPolarHBondContact CG-O 3.48Å
160N69.7Low74.8Confident130 Ų13082.6 Ų82.670%0.69549%0.492SS*.SBendtrans-56.5-32.4169.4-72.3-22.1000110.7N154 L158N154-N160 PolarHBondContact ND2-OD1 3.46Å; N154-N160 VanDerWaalsContact ND2-OD1 3.15Å; L158-N160 PolarHBondContact O-N 3.31Å
161Y70.9Confident76.3Confident225 Ų22583.5 Ų83.588%0.88249%0.488SS*.SBendtrans-142.4126.8168.5-71.6-84.6000109P159P159-Y161 WeakPolarHBondContact CB-O 3.43Å; P159-Y161 PolarHBondContact O-N 2.92Å
162G77.9Confident77.6Confident61 Ų6183.6 Ų83.663%0.62947%0.469SS*.SBendtrans139172.8-179.800000112.8P159P159-G162 WeakPolarHBondContact CG-O 3.48Å
163S82.3Confident79Confident124 Ų12483 Ų8387%0.86745%0.448SS*.  trans-94.1151179.6-57.10000111.5
164F82.7Confident80.9Confident99 Ų9975.9 Ų75.943%0.43442%0.415SS..  trans-133.8157.3167.867-83.8000109.8T141 L158 L166T141-F164 HydrophobicContact CG2-CE2 4.33Å; L158-F164 HydrophobicContact CD2-CB 4.34Å; L158-F164 HydrophobicContact CD2-CD1 3.52Å; L158-F164 HydrophobicContact CD2-CD2 3.85Å; L158-F164 HydrophobicContact CD2-CE1 3.66Å; L158-F164 HydrophobicContact CD2-CE2 3.96Å; L158-F164 HydrophobicContact CD2-CG 3.63Å; L158-F164 HydrophobicContact CD2-CZ 3.88Å; F164-L166 HydrophobicContact CD2-CD2 4.42Å; F164-L166 HydrophobicContact CE2-CD2 3.62Å; F164-L166 HydrophobicContact CE2-CG 4.18Å; F164-L166 HydrophobicContact CZ-CD2 4.48Å
165T86Confident82.8Confident121 Ų12173.1 Ų73.174%0.74240%0.4SS*.PPolyproline II helixtrans-101128.7179.5-56.80000109.7
166L90.5Very high84.6Confident82 Ų8272.3 Ų72.343%0.42939%0.392SS..PPolyproline II helixtrans-76146.9171.3-65.8169.6000110.4H139 A140 T141 F164H139-L166 HydrophobicContact CB-CB 3.92Å; H139-L166 HydrophobicContact CB-CD1 3.96Å; H139-L166 HydrophobicContact CB-CG 4.46Å; A140-L166 CarbonylContact O-C 3.6Å; A140-L166 WeakPolarHBondContact O-CA 3.23Å; T141-L166 HydrophobicContact CG2-CD2 4.06Å; F164-L166 HydrophobicContact CD2-CD2 4.42Å; F164-L166 HydrophobicContact CE2-CD2 3.62Å; F164-L166 HydrophobicContact CE2-CG 4.18Å; F164-L166 HydrophobicContact CZ-CD2 4.48Å
167L91.5Very high86.3Confident58 Ų5871.5 Ų71.530%0.30439%0.386SS..EExtended strand (participates in β ladder)trans-80.8130.8169.3-60.9179.2000109.2H139 A140 P142H139-L167 CarbonylContact C-O 3.56Å; H139-L167 VanDerWaalsContact CA-O 3.26Å; H139-L167 WeakPolarHBondContact CA-O 3.2Å; A140-L167 HydrophobicContact CB-CB 4.48Å; A140-L167 PolarHBondContact N-O 3.15Å; A140-L167 PolarHBondContact O-N 3.41Å; P142-L167 HydrophobicContact CB-CD1 4.07Å; P142-L167 HydrophobicContact CB-CD2 4.43Å; P142-L167 HydrophobicContact CB-CG 4.1Å
168D95.2Very high87.8Confident51 Ų5169.5 Ų69.527%0.27339%0.393SS..EExtended strand (participates in β ladder)trans-79115.6166.3177.7-4.3000108.9I170 M171 N172D168-I170 VanDerWaalsContact C-N 3.28Å; D168-I170 PolarHBondContact O-N 3Å; D168-I170 VanDerWaalsContact OD1-CB 3.3Å; D168-I170 WeakPolarHBondContact OD1-CB 3.39Å; D168-I170 PolarHBondContact OD1-N 3.47Å; D168-M171 HydrophobicContact CB-CB 4.3Å; D168-M171 HydrophobicContact CB-CG 4.44Å; D168-M171 PolarHBondContact O-N 3.43Å; D168-N172 WeakPolarHBondContact O-CB 3.43Å; D168-N172 PolarHBondContact O-N 2.69Å
169T96.5Very high89.1Confident4 Ų475.5 Ų75.53%0.02542%0.419CS..Hα-helixtrans-70.1-23.4-179.261.70000113P138 A140 D173P138-T169 WeakPolarHBondContact O-CB 3.27Å; P138-T169 WeakPolarHBondContact O-CG2 3.32Å; P138-T169 PolarHBondContact O-OG1 2.93Å; A140-T169 HydrophobicContact CB-CG2 3.77Å; T169-D173 WeakPolarHBondContact CB-OD2 3.48Å; T169-D173 WeakPolarHBondContact O-CA 3.46Å; T169-D173 VanDerWaalsContact O-CB 3.25Å; T169-D173 WeakPolarHBondContact O-CB 3.38Å; T169-D173 PolarHBondContact O-N 3.02Å
170I97.7Very high90.3Very high16 Ų1674.5 Ų74.58%0.08241%0.412CS..Hα-helixtrans-64.1-48.4174.8-64147.1000108.9M19 L70 M134 A137 D168 A174 L175 V281M19-I170 HydrophobicContact CE-CD1 3.19Å; M19-I170 HydrophobicContact CE-CG1 4.18Å; L70-I170 HydrophobicContact CD1-CG1 4.13Å; M134-I170 HydrophobicContact CE-CG2 3.7Å; A137-I170 HydrophobicContact CB-CD1 3.99Å; A137-I170 HydrophobicContact CB-CG1 3.5Å; D168-I170 VanDerWaalsContact C-N 3.28Å; D168-I170 PolarHBondContact O-N 3Å; D168-I170 VanDerWaalsContact OD1-CB 3.3Å; D168-I170 WeakPolarHBondContact OD1-CB 3.39Å; D168-I170 PolarHBondContact OD1-N 3.47Å; I170-A174 WeakPolarHBondContact O-CB 3.32Å; I170-A174 PolarHBondContact O-N 3.26Å; I170-L175 HydrophobicContact CG2-CD1 3.58Å; I170-L175 HydrophobicContact CG2-CG 4Å; I170-L175 PolarHBondContact O-N 3.29Å; I170-V281 HydrophobicContact CG2-CG1 4.5Å
171M95.8Very high91.4Very high74 Ų7474 Ų7437%0.36541%0.41SS..Iπ-helixtrans-65.1-55.1175-70.7-56.6-55.600110.7D168 D173 L175 M176 P183D168-M171 HydrophobicContact CB-CB 4.3Å; D168-M171 HydrophobicContact CB-CG 4.44Å; D168-M171 PolarHBondContact O-N 3.43Å; M171-D173 PolarHBondContact O-N 3.23Å; M171-L175 HydrophobicContact CE-CB 4.35Å; M171-L175 CarbonylContact O-C 3.58Å; M171-L175 PolarHBondContact O-N 3.26Å; M171-L175 HydrophobicContact SD-CB 3.97Å; M171-L175 HydrophobicContact SD-CD1 4.23Å; M171-M176 WeakPolarHBondContact O-CB 3.49Å; M171-M176 PolarHBondContact O-N 2.91Å; M171-P183 HydrophobicContact CE-CB 4.29Å
172N95Very high92.5Very high88 Ų8865.9 Ų65.947%0.47138%0.382SS..Iπ-helixtrans-64.9-43.9-171.9-170.884.9000114D168D168-N172 WeakPolarHBondContact O-CB 3.43Å; D168-N172 PolarHBondContact O-N 2.69Å
173D95.6Very high93.4Very high59 Ų5964.6 Ų64.632%0.31636%0.362SS..Iπ-helixtrans-100.6-13.9-169-56.7-24.5000113.1L70 M100 T169 M171L70-D173 HydrophobicContact CD2-CB 4.02Å; M100-D173 WeakPolarHBondContact CE-O 3.5Å; T169-D173 WeakPolarHBondContact CB-OD2 3.48Å; T169-D173 WeakPolarHBondContact O-CA 3.46Å; T169-D173 VanDerWaalsContact O-CB 3.25Å; T169-D173 WeakPolarHBondContact O-CB 3.38Å; T169-D173 PolarHBondContact O-N 3.02Å; M171-D173 PolarHBondContact O-N 3.23Å
174A97Very high94Very high2 Ų259.4 Ų59.42%0.01732%0.324CS..Iπ-helixtrans-129-40.1-176.700000114.8V69 L70 I170 V383V69-A174 HydrophobicContact CG1-CB 4.1Å; L70-A174 HydrophobicContact CD2-CB 4.08Å; L70-A174 HydrophobicContact CG-CB 4.48Å; I170-A174 WeakPolarHBondContact O-CB 3.32Å; I170-A174 PolarHBondContact O-N 3.26Å; A174-V383 HydrophobicContact CB-CG2 4.24Å
175L97.1Very high94.7Very high36 Ų3654.7 Ų54.719%0.18830%0.304CS..Iπ-helixtrans-112.15.2-167.7-54.6-175.5000115.1M134 I170 M171 P183 M184 V281 V383M134-L175 HydrophobicContact CE-CD1 4.39Å; M134-L175 HydrophobicContact CE-CD2 4.39Å; M134-L175 HydrophobicContact CE-CG 4.47Å; I170-L175 HydrophobicContact CG2-CD1 3.58Å; I170-L175 HydrophobicContact CG2-CG 4Å; I170-L175 PolarHBondContact O-N 3.29Å; M171-L175 HydrophobicContact CE-CB 4.35Å; M171-L175 CarbonylContact O-C 3.58Å; M171-L175 PolarHBondContact O-N 3.26Å; M171-L175 HydrophobicContact SD-CB 3.97Å; M171-L175 HydrophobicContact SD-CD1 4.23Å; L175-P183 CarbonylContact O-C 3.59Å; L175-P183 WeakPolarHBondContact O-CA 3.19Å; L175-M184 WeakPolarHBondContact O-CG 3.49Å; L175-M184 PolarHBondContact O-N 3.48Å; L175-V281 HydrophobicContact CD1-CG2 4.01Å; L175-V383 HydrophobicContact CD2-CG1 4.42Å
176M96Very high95.1Very high51 Ų5149.2 Ų49.225%0.25127%0.271SS..BIsolated β-bridgetrans-119.6131176.1-167.571.4166.600109.7M171 N181 P183M171-M176 WeakPolarHBondContact O-CB 3.49Å; M171-M176 PolarHBondContact O-N 2.91Å; M176-N181 HydrophobicContact CE-CB 4.21Å; M176-N181 VanDerWaalsContact CE-CG 3.42Å; M176-N181 WeakPolarHBondContact CE-O 3.26Å; M176-N181 WeakPolarHBondContact CE-OD1 3.38Å; M176-P183 HydrophobicContact SD-CB 4.45Å; M176-P183 VanDerWaalsContact SD-N 3.42Å
177D96.1Very high95.4Very high3 Ų345.4 Ų45.42%0.01625%0.251CS..  trans-76.3128.9178.3-168.7-93.2000110.3F179 C180 N181 L182 M184 G429D177-F179 VanDerWaalsContact C-N 3.26Å; D177-F179 PolarHBondContact O-N 2.89Å; D177-F179 WeakPolarHBondContact OD1-CA 3.3Å; D177-F179 WeakPolarHBondContact OD1-CB 3.24Å; D177-F179 PolarHBondContact OD1-N 3.13Å; D177-C180 VanDerWaalsContact CB-SG 3.53Å; D177-C180 VanDerWaalsContact CG-SG 3.59Å; D177-C180 PolarHBondContact OD1-N 3.38Å; D177-C180 PolarHBondContact OD1-SG 2.86Å; D177-C180 VanDerWaalsContact OD1-SG 3.33Å; D177-N181 VanDerWaalsContact O-CA 3.28Å; D177-N181 WeakPolarHBondContact O-CA 3.24Å; D177-N181 PolarHBondContact O-N 3.38Å; D177-L182 PolarHBondContact N-O 3.08Å; D177-M184 HydrophobicContact CB-CE 3.54Å; D177-G429 WeakPolarHBondContact OD2-CA 3.33Å; D177-G429 PolarHBondContact OD2-N 2.98Å; D177-G429 VanDerWaalsContact OD2-N 3.07Å
178A94.3Very high95.7Very high96 Ų9642.8 Ų42.879%0.79324%0.238SC*.THydrogen-bonded Turntrans-72.4-17-177.400000113.9
179F96.2Very high95.8Very high152 Ų15241 Ų4167%0.66723%0.228SC*.THydrogen-bonded Turntrans-103.2-43-173.3-55.6-80.2000112.5D177 P318D177-F179 VanDerWaalsContact C-N 3.26Å; D177-F179 PolarHBondContact O-N 2.89Å; D177-F179 WeakPolarHBondContact OD1-CA 3.3Å; D177-F179 WeakPolarHBondContact OD1-CB 3.24Å; D177-F179 PolarHBondContact OD1-N 3.13Å; F179-P318 HydrophobicContact CB-CB 4.13Å; F179-P318 HydrophobicContact CB-CG 3.9Å; F179-P318 HydrophobicContact CD2-CB 4.09Å; F179-P318 HydrophobicContact CD2-CG 3.72Å; F179-P318 HydrophobicContact CG-CB 4.48Å; F179-P318 HydrophobicContact CG-CG 3.96Å
180C93Very high95.8Very high32 Ų3243.3 Ų43.322%0.21624%0.24CC..THydrogen-bonded Turntrans-103.7-3.518065.60000113.9D177 L182 E319D177-C180 VanDerWaalsContact CB-SG 3.53Å; D177-C180 VanDerWaalsContact CG-SG 3.59Å; D177-C180 PolarHBondContact OD1-N 3.38Å; D177-C180 PolarHBondContact OD1-SG 2.86Å; D177-C180 VanDerWaalsContact OD1-SG 3.33Å; C180-L182 HydrophobicContact CB-CD1 4.46Å; C180-L182 HydrophobicContact CB-CG 4.37Å; C180-L182 PolarHBondContact O-N 2.86Å; C180-E319 HydrophobicContact CB-CG 3.71Å
181N92.6Very high95.9Very high121 Ų12142.6 Ų42.665%0.64724%0.236SC*.  trans53.237.6179.1-164.363.3000112.2M176 D177M176-N181 HydrophobicContact CE-CB 4.21Å; M176-N181 VanDerWaalsContact CE-CG 3.42Å; M176-N181 WeakPolarHBondContact CE-O 3.26Å; M176-N181 WeakPolarHBondContact CE-OD1 3.38Å; D177-N181 VanDerWaalsContact O-CA 3.28Å; D177-N181 WeakPolarHBondContact O-CA 3.24Å; D177-N181 PolarHBondContact O-N 3.38Å
182L93.9Very high96Very high54 Ų5439.2 Ų39.228%0.28322%0.22SC..  trans-103.5141.4172-65.8177000109.7D177 C180 T187D177-L182 PolarHBondContact N-O 3.08Å; C180-L182 HydrophobicContact CB-CD1 4.46Å; C180-L182 HydrophobicContact CB-CG 4.37Å; C180-L182 PolarHBondContact O-N 2.86Å; L182-T187 HydrophobicContact CB-CG2 4.21Å; L182-T187 HydrophobicContact CD1-CG2 4.39Å
183P95.6Very high96Very high34 Ų3443.7 Ų43.722%0.22124%0.236CC..BIsolated β-bridgetrans-59.9150.9161.528.1-33.6000108.8M171 L175 M176 G185 G186 T187 F264M171-P183 HydrophobicContact CE-CB 4.29Å; L175-P183 CarbonylContact O-C 3.59Å; L175-P183 WeakPolarHBondContact O-CA 3.19Å; M176-P183 HydrophobicContact SD-CB 4.45Å; M176-P183 VanDerWaalsContact SD-N 3.42Å; P183-G185 PolarHBondContact O-N 2.82Å; P183-G186 WeakPolarHBondContact O-CA 3.23Å; P183-G186 PolarHBondContact O-N 3.17Å; P183-T187 PolarHBondContact O-N 3.23Å; P183-F264 HydrophobicContact CB-CD1 3.89Å; P183-F264 HydrophobicContact CB-CE1 4.2Å; P183-F264 HydrophobicContact CG-CD1 3.86Å
184M96.5Very high96.1Very high15 Ų1549.8 Ų49.87%0.07425%0.254CS..Hα-helixtrans-53.4-35.1-177.8-62.5-62.390.100112.5L175 D177 G186 T187 A188 M321 F352L175-M184 WeakPolarHBondContact O-CG 3.49Å; L175-M184 PolarHBondContact O-N 3.48Å; D177-M184 HydrophobicContact CB-CE 3.54Å; M184-G186 VanDerWaalsContact C-N 3.29Å; M184-G186 PolarHBondContact O-N 2.89Å; M184-T187 PolarHBondContact O-N 2.78Å; M184-T187 VanDerWaalsContact O-N 3.14Å; M184-T187 PolarHBondContact O-OG1 2.88Å; M184-A188 PolarHBondContact O-N 2.78Å; M184-M321 HydrophobicContact CB-CE 4.07Å; M184-M321 HydrophobicContact CE-CE 4.41Å; M184-M321 HydrophobicContact CG-CE 4.18Å; M184-M321 HydrophobicContact SD-CE 3.28Å; M184-M321 WeakPolarHBondContact SD-CE 3.38Å; M184-M321 HydrophobicContact SD-SD 4.34Å; M184-F352 HydrophobicContact CB-CE2 3.85Å; M184-F352 HydrophobicContact CB-CZ 3.96Å
185G96Very high96.1Very high0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-64.1-28.9174.900000114.1P183 A188 E189 F352P183-G185 PolarHBondContact O-N 2.82Å; G185-A188 WeakPolarHBondContact O-CB 3.32Å; G185-A188 PolarHBondContact O-N 3.49Å; G185-E189 WeakPolarHBondContact O-CG 3.49Å; G185-E189 PolarHBondContact O-N 3.42Å; G185-F352 VanDerWaalsContact CA-CZ 3.45Å; G185-F352 VanDerWaalsContact N-CZ 3.34Å
186G95.9Very high96.1Very high6 Ų654.3 Ų54.36%0.06229%0.29CS..Hα-helixtrans-66.9-36.317200000112.5P183 M184 A188 E189 N190P183-G186 WeakPolarHBondContact O-CA 3.23Å; P183-G186 PolarHBondContact O-N 3.17Å; M184-G186 VanDerWaalsContact C-N 3.29Å; M184-G186 PolarHBondContact O-N 2.89Å; G186-A188 VanDerWaalsContact C-N 3.26Å; G186-A188 PolarHBondContact O-N 2.91Å; G186-E189 WeakPolarHBondContact O-CB 3.47Å; G186-E189 PolarHBondContact O-N 2.58Å; G186-N190 PolarHBondContact O-N 3.26Å; G186-N190 VanDerWaalsContact O-N 3.16Å
187T96.6Very high96.2Very high1 Ų152.4 Ų52.41%0.00628%0.28CS..Hα-helixtrans-66.7-31.2171.874.80000111.8L182 P183 M184 N190 V191 M321L182-T187 HydrophobicContact CB-CG2 4.21Å; L182-T187 HydrophobicContact CD1-CG2 4.39Å; P183-T187 PolarHBondContact O-N 3.23Å; M184-T187 PolarHBondContact O-N 2.78Å; M184-T187 VanDerWaalsContact O-N 3.14Å; M184-T187 PolarHBondContact O-OG1 2.88Å; T187-N190 WeakPolarHBondContact O-CB 3.44Å; T187-N190 PolarHBondContact O-N 2.97Å; T187-V191 PolarHBondContact O-N 3.33Å; T187-V191 VanDerWaalsContact O-N 3.12Å; T187-M321 HydrophobicContact CG2-CG 4.49Å; T187-M321 WeakPolarHBondContact OG1-CE 3.28Å
188A97.6Very high96.3Very high3 Ų354 Ų543%0.02529%0.292CS..Hα-helixtrans-71.1-32174.900000112.7M184 G185 G186 V191 A192 V273 F352 S354M184-A188 PolarHBondContact O-N 2.78Å; G185-A188 WeakPolarHBondContact O-CB 3.32Å; G185-A188 PolarHBondContact O-N 3.49Å; G186-A188 VanDerWaalsContact C-N 3.26Å; G186-A188 PolarHBondContact O-N 2.91Å; A188-V191 PolarHBondContact O-N 3.5Å; A188-A192 PolarHBondContact O-N 3.25Å; A188-V273 HydrophobicContact CB-CG2 3.94Å; A188-F352 HydrophobicContact CB-CB 3.66Å; A188-F352 HydrophobicContact CB-CD1 3.94Å; A188-F352 HydrophobicContact CB-CD2 3.61Å; A188-F352 HydrophobicContact CB-CE2 4.26Å; A188-F352 HydrophobicContact CB-CG 3.43Å; A188-F352 VanDerWaalsContact CB-CG 3.43Å; A188-S354 PolarHBondContact O-OG 3.18Å
189E97.4Very high96.4Very high15 Ų1551.2 Ų51.27%0.0726%0.261CS..Hα-helixtrans-63.8-41.2169.1-63.5-73.4-171.800111.1G185 G186 V191 A192 K193 G271 T272 V273G185-E189 WeakPolarHBondContact O-CG 3.49Å; G185-E189 PolarHBondContact O-N 3.42Å; G186-E189 WeakPolarHBondContact O-CB 3.47Å; G186-E189 PolarHBondContact O-N 2.58Å; E189-V191 VanDerWaalsContact C-N 3.33Å; E189-V191 PolarHBondContact O-N 3.19Å; E189-A192 PolarHBondContact O-N 2.93Å; E189-K193 WeakPolarHBondContact O-CB 3.25Å; E189-K193 PolarHBondContact O-N 3Å; E189-G271 WeakPolarHBondContact OE1-CA 3.49Å; E189-T272 VanDerWaalsContact CD-N 3.27Å; E189-T272 PolarHBondContact OE1-N 2.9Å; E189-T272 PolarHBondContact OE2-N 3.13Å; E189-T272 PolarHBondContact OE2-OG1 3.27Å; E189-V273 HydrophobicContact CG-CB 4.28Å; E189-V273 HydrophobicContact CG-CG2 3.89Å; E189-V273 WeakPolarHBondContact OE1-CB 3.31Å; E189-V273 PolarHBondContact OE1-N 3.21Å
190N96.8Very high96.5Very high52 Ų5250.1 Ų50.128%0.27826%0.258SS..Hα-helixtrans-60.9-42.4176.1-69.9-19.3000111.9G186 T187 K193 R194 E319 L320G186-N190 PolarHBondContact O-N 3.26Å; G186-N190 VanDerWaalsContact O-N 3.16Å; T187-N190 WeakPolarHBondContact O-CB 3.44Å; T187-N190 PolarHBondContact O-N 2.97Å; N190-K193 PolarHBondContact O-N 2.98Å; N190-R194 VanDerWaalsContact O-CB 3.32Å; N190-R194 WeakPolarHBondContact O-CB 3.37Å; N190-R194 PolarHBondContact O-N 3.42Å; N190-E319 PolarHBondContact ND2-O 2.84Å; N190-L320 HydrophobicContact CB-CD2 4.28Å
191V98Very high96.7Very high0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-62.7-46.8174.2173.10000111T187 A188 E189 K193 R194 F195 L320 L323 A358T187-V191 PolarHBondContact O-N 3.33Å; T187-V191 VanDerWaalsContact O-N 3.12Å; A188-V191 PolarHBondContact O-N 3.5Å; E189-V191 VanDerWaalsContact C-N 3.33Å; E189-V191 PolarHBondContact O-N 3.19Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 2.86Å; V191-R194 PolarHBondContact O-N 3.28Å; V191-F195 HydrophobicContact CG1-CD2 4.25Å; V191-F195 PolarHBondContact O-N 3.34Å; V191-L320 HydrophobicContact CG2-CD2 4.23Å; V191-L323 HydrophobicContact CG1-CD2 3.87Å; V191-L323 HydrophobicContact CG2-CD2 4.26Å; V191-L323 HydrophobicContact CG2-CG 4.15Å; V191-A358 HydrophobicContact CG1-CB 3.65Å
192A97.8Very high97Very high3 Ų347 Ų473%0.02524%0.236CC..Hα-helixtrans-57.4-47.417800000111.4A188 E189 R194 F195 G196 I197A188-A192 PolarHBondContact O-N 3.25Å; E189-A192 PolarHBondContact O-N 2.93Å; A192-R194 PolarHBondContact O-N 2.9Å; A192-F195 PolarHBondContact O-N 2.91Å; A192-G196 WeakPolarHBondContact O-CA 3.35Å; A192-G196 PolarHBondContact O-N 2.87Å; A192-I197 HydrophobicContact CB-CB 4.36Å; A192-I197 PolarHBondContact O-N 3.01Å
193K96.5Very high97.2Very high183 Ų18344.5 Ų44.580%0.79622%0.223SC*.Hα-helixtrans-61-43.6176.3-176.5178.4-179.8178.60112.5E189 N190 V191 F195 G196E189-K193 WeakPolarHBondContact O-CB 3.25Å; E189-K193 PolarHBondContact O-N 3Å; N190-K193 PolarHBondContact O-N 2.98Å; V191-K193 VanDerWaalsContact C-N 3.33Å; V191-K193 PolarHBondContact O-N 2.86Å; K193-F195 VanDerWaalsContact C-N 3.34Å; K193-F195 PolarHBondContact O-N 3.48Å; K193-G196 PolarHBondContact O-N 3.32Å
194R96.7Very high97.4Very high187 Ų18745.8 Ų45.871%0.70623%0.228SC*.Hα-helixtrans-64.6-37.5-178.2178.158.5176.2156.5-0.7112.6N190 V191 A192N190-R194 VanDerWaalsContact O-CB 3.32Å; N190-R194 WeakPolarHBondContact O-CB 3.37Å; N190-R194 PolarHBondContact O-N 3.42Å; V191-R194 PolarHBondContact O-N 3.28Å; A192-R194 PolarHBondContact O-N 2.9Å
195F97.6Very high97.5Very high70 Ų7046.5 Ų46.531%0.30723%0.231SC..Hα-helixtrans-98.7-0.9-177.7-77-97.9000113.7V191 A192 K193 I197 L323 A358 E362V191-F195 HydrophobicContact CG1-CD2 4.25Å; V191-F195 PolarHBondContact O-N 3.34Å; A192-F195 PolarHBondContact O-N 2.91Å; K193-F195 VanDerWaalsContact C-N 3.34Å; K193-F195 PolarHBondContact O-N 3.48Å; F195-I197 VanDerWaalsContact C-N 3.29Å; F195-I197 HydrophobicContact CB-CD1 3.72Å; F195-I197 HydrophobicContact CB-CG1 3.74Å; F195-I197 PolarHBondContact O-N 3.33Å; F195-L323 HydrophobicContact CD2-CD2 4.37Å; F195-L323 HydrophobicContact CE2-CD1 3.73Å; F195-L323 HydrophobicContact CE2-CD2 3.59Å; F195-L323 HydrophobicContact CE2-CG 4.31Å; F195-L323 HydrophobicContact CZ-CD1 4.29Å; F195-L323 HydrophobicContact CZ-CD2 4.02Å; F195-A358 HydrophobicContact CB-CB 4.48Å; F195-A358 HydrophobicContact CD1-CB 4.12Å; F195-A358 HydrophobicContact CD2-CB 3.91Å; F195-A358 HydrophobicContact CE1-CB 4.34Å; F195-A358 HydrophobicContact CE2-CB 4.15Å; F195-A358 HydrophobicContact CG-CB 3.9Å; F195-A358 HydrophobicContact CZ-CB 4.35Å; F195-E362 HydrophobicContact CE1-CB 4.46Å
196G97.2Very high97.6Very high62 Ų6246.6 Ų46.664%0.63923%0.231SC*.THydrogen-bonded Turntrans65.430.9-177.700000113.4A192 K193 S198A192-G196 WeakPolarHBondContact O-CA 3.35Å; A192-G196 PolarHBondContact O-N 2.87Å; K193-G196 PolarHBondContact O-N 3.32Å; G196-S198 PolarHBondContact O-N 3.2Å
197I98.1Very high97.7Very high11 Ų1147.3 Ų47.36%0.05623%0.234CC..  trans-79.7118.4-176.9-58.6166.4000109.1A192 F195 E201 Q202 S354 I357 A358A192-I197 HydrophobicContact CB-CB 4.36Å; A192-I197 PolarHBondContact O-N 3.01Å; F195-I197 VanDerWaalsContact C-N 3.29Å; F195-I197 HydrophobicContact CB-CD1 3.72Å; F195-I197 HydrophobicContact CB-CG1 3.74Å; F195-I197 PolarHBondContact O-N 3.33Å; I197-E201 HydrophobicContact CG2-CB 4.18Å; I197-Q202 HydrophobicContact CG2-CG 3.84Å; I197-S354 WeakPolarHBondContact CD1-O 3.41Å; I197-I357 HydrophobicContact CD1-CB 4.02Å; I197-I357 HydrophobicContact CD1-CG2 3.86Å; I197-I357 HydrophobicContact CG1-CG2 4Å; I197-I357 HydrophobicContact CG2-CB 4.36Å; I197-I357 HydrophobicContact CG2-CD1 3.76Å; I197-I357 HydrophobicContact CG2-CG2 4.09Å; I197-A358 HydrophobicContact CD1-CB 3.89Å
198S97.3Very high97.8Very high38 Ų3853.1 Ų53.127%0.26626%0.255SS..  trans-72.2163.4-178.765.50000113G196 E200 E201 Q202G196-S198 PolarHBondContact O-N 3.2Å; S198-E200 VanDerWaalsContact C-N 3.28Å; S198-E200 WeakPolarHBondContact CB-OE2 3.32Å; S198-E201 WeakPolarHBondContact CB-OE2 3.12Å; S198-E201 PolarHBondContact N-OE2 2.83Å; S198-E201 PolarHBondContact O-N 3.44Å; S198-E201 WeakPolarHBondContact OG-CB 3.09Å; S198-E201 WeakPolarHBondContact OG-CG 3.28Å; S198-E201 PolarHBondContact OG-N 2.94Å; S198-E201 VanDerWaalsContact OG-N 3.15Å; S198-E201 PolarHBondContact OG-OE2 3.09Å; S198-Q202 WeakPolarHBondContact O-CG 3.5Å; S198-Q202 PolarHBondContact O-N 2.97Å; S198-Q202 PolarHBondContact O-NE2 2.84Å
199R97.1Very high97.8Very high37 Ų3753.1 Ų53.114%0.1426%0.255CS..Hα-helixtrans-61.8-40.6171.7168.558.7-170.8-77.9-7.6110.9Q202 D203 L257 L260 T272 T274R199-Q202 PolarHBondContact O-N 3.26Å; R199-D203 IonicContact CZ-OD1 2.89Å; R199-D203 IonicContact CZ-OD2 3.13Å; R199-D203 IonicContact NE-OD1 3.35Å; R199-D203 PolarHBondContact NE-OD1 2.86Å; R199-D203 IonicContact NE-OD2 3.28Å; R199-D203 PolarHBondContact NE-OD2 3.04Å; R199-D203 IonicContact NH2-OD1 2.7Å; R199-D203 IonicContact NH2-OD2 2.63Å; R199-D203 PolarHBondContact NH2-OD2 3.37Å; R199-D203 VanDerWaalsContact NH2-OD2 3.07Å; R199-D203 PolarHBondContact O-N 2.87Å; R199-L257 PolarHBondContact NH2-O 3.16Å; R199-L260 PolarHBondContact NH1-O 3.43Å; R199-L260 PolarHBondContact NH2-O 3.5Å; R199-T272 HydrophobicContact CB-CG2 4.39Å; R199-T272 WeakPolarHBondContact CD-O 3.17Å; R199-T274 VanDerWaalsContact NH1-CG2 3.34Å
200E97.9Very high97.9Very high128 Ų12853.2 Ų53.260%0.59826%0.255SS*.Hα-helixtrans-64-41.1-178.7-66.170.8-157.900111.4S198 D203 L204S198-E200 VanDerWaalsContact C-N 3.28Å; S198-E200 WeakPolarHBondContact CB-OE2 3.32Å; E200-D203 PolarHBondContact O-N 3.17Å; E200-L204 VanDerWaalsContact O-CB 3.31Å; E200-L204 WeakPolarHBondContact O-CB 3.26Å; E200-L204 PolarHBondContact O-N 3.29Å
201E98.3Very high98Very high89 Ų8955.5 Ų55.542%0.41627%0.265SS..Hα-helixtrans-63.7-41.6175.2-76168.698.200112.1I197 S198 L204 F205 I357I197-E201 HydrophobicContact CG2-CB 4.18Å; S198-E201 WeakPolarHBondContact CB-OE2 3.12Å; S198-E201 PolarHBondContact N-OE2 2.83Å; S198-E201 PolarHBondContact O-N 3.44Å; S198-E201 WeakPolarHBondContact OG-CB 3.09Å; S198-E201 WeakPolarHBondContact OG-CG 3.28Å; S198-E201 PolarHBondContact OG-N 2.94Å; S198-E201 VanDerWaalsContact OG-N 3.15Å; S198-E201 PolarHBondContact OG-OE2 3.09Å; E201-L204 PolarHBondContact O-N 3.43Å; E201-F205 WeakPolarHBondContact O-CB 3.45Å; E201-F205 PolarHBondContact O-N 2.84Å; E201-I357 HydrophobicContact CB-CD1 4.2Å
202Q98.6Very high98Very high0 Ų058.2 Ų58.20%028%0.276CS..Hα-helixtrans-64.6-44.9177.6-70.1178.466.500112I197 S198 R199 F205 A206 T272 N277 A353 I357I197-Q202 HydrophobicContact CG2-CG 3.84Å; S198-Q202 WeakPolarHBondContact O-CG 3.5Å; S198-Q202 PolarHBondContact O-N 2.97Å; S198-Q202 PolarHBondContact O-NE2 2.84Å; R199-Q202 PolarHBondContact O-N 3.26Å; Q202-F205 PolarHBondContact O-N 3.09Å; Q202-A206 WeakPolarHBondContact O-CB 3.3Å; Q202-A206 PolarHBondContact O-N 3.14Å; Q202-T272 PolarHBondContact NE2-OG1 3.07Å; Q202-N277 HydrophobicContact CB-CB 4.12Å; Q202-A353 HydrophobicContact CB-CB 3.83Å; Q202-A353 HydrophobicContact CG-CB 4.08Å; Q202-A353 WeakPolarHBondContact O-CB 3.32Å; Q202-I357 HydrophobicContact CG-CD1 4.17Å
203D98.6Very high98Very high0 Ų058.7 Ų58.70%028%0.277CS..Hα-helixtrans-66.6-37.8177.5-72.71.4000111.4R199 E200 A206 L207 L254 L257 S258 N277R199-D203 IonicContact CZ-OD1 2.89Å; R199-D203 IonicContact CZ-OD2 3.13Å; R199-D203 IonicContact NE-OD1 3.35Å; R199-D203 PolarHBondContact NE-OD1 2.86Å; R199-D203 IonicContact NE-OD2 3.28Å; R199-D203 PolarHBondContact NE-OD2 3.04Å; R199-D203 IonicContact NH2-OD1 2.7Å; R199-D203 IonicContact NH2-OD2 2.63Å; R199-D203 PolarHBondContact NH2-OD2 3.37Å; R199-D203 VanDerWaalsContact NH2-OD2 3.07Å; R199-D203 PolarHBondContact O-N 2.87Å; E200-D203 PolarHBondContact O-N 3.17Å; D203-A206 PolarHBondContact O-N 3.04Å; D203-L207 PolarHBondContact O-N 3.24Å; D203-L254 HydrophobicContact CB-CD1 3.88Å; D203-L257 HydrophobicContact CB-CB 3.94Å; D203-L257 HydrophobicContact CB-CD1 4.34Å; D203-L257 WeakPolarHBondContact O-CD1 3.49Å; D203-S258 WeakPolarHBondContact OD2-CA 3.31Å; D203-S258 PolarHBondContact OD2-N 2.69Å; D203-N277 PolarHBondContact OD1-ND2 3.27Å
204L98.4Very high98.1Very high62 Ų6251.8 Ų51.833%0.32526%0.255SS..Hα-helixtrans-65.4-40.3174.7-178.560.6000112E200 E201 A206 L207 R208E200-L204 VanDerWaalsContact O-CB 3.31Å; E200-L204 WeakPolarHBondContact O-CB 3.26Å; E200-L204 PolarHBondContact O-N 3.29Å; E201-L204 PolarHBondContact O-N 3.43Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-L207 PolarHBondContact O-N 3.45Å; L204-R208 WeakPolarHBondContact O-CG 3.44Å; L204-R208 PolarHBondContact O-N 2.79Å; L204-R208 VanDerWaalsContact O-N 3.08Å
205F98.6Very high98.1Very high30 Ų3047.3 Ų47.313%0.13225%0.248CC..Hα-helixtrans-61.4-44.3173.9-175.7-80.1000111.2E201 Q202 R208 S209 E350 A353 C356 I357 L370 I377E201-F205 WeakPolarHBondContact O-CB 3.45Å; E201-F205 PolarHBondContact O-N 2.84Å; Q202-F205 PolarHBondContact O-N 3.09Å; F205-R208 WeakPolarHBondContact O-CB 3.49Å; F205-R208 PolarHBondContact O-N 2.62Å; F205-S209 PolarHBondContact O-N 3.42Å; F205-E350 HydrophobicContact CE1-CG 4.04Å; F205-E350 HydrophobicContact CZ-CG 4.27Å; F205-A353 HydrophobicContact CB-CB 4.14Å; F205-A353 HydrophobicContact CD1-CB 3.88Å; F205-A353 HydrophobicContact CG-CB 4.26Å; F205-C356 HydrophobicContact CE1-CB 3.88Å; F205-C356 HydrophobicContact CE2-CB 3.85Å; F205-C356 HydrophobicContact CZ-CB 3.4Å; F205-I357 HydrophobicContact CB-CD1 3.99Å; F205-I357 HydrophobicContact CB-CG1 4.22Å; F205-I357 HydrophobicContact CD2-CG1 3.81Å; F205-I357 HydrophobicContact CG-CD1 4.41Å; F205-I357 HydrophobicContact CG-CG1 4.17Å; F205-L370 HydrophobicContact CE2-CD2 4.32Å; F205-I377 HydrophobicContact CD1-CD1 3.84Å; F205-I377 HydrophobicContact CE1-CD1 3.94Å
206A98.6Very high98.1Very high1 Ų144.1 Ų44.11%0.00824%0.235CC..Hα-helixtrans-63-42.3178.700000113Q202 D203 L204 R208 S209 Q210 L257 G276 N277 I377Q202-A206 WeakPolarHBondContact O-CB 3.3Å; Q202-A206 PolarHBondContact O-N 3.14Å; D203-A206 PolarHBondContact O-N 3.04Å; L204-A206 VanDerWaalsContact C-N 3.34Å; A206-R208 PolarHBondContact O-N 2.82Å; A206-S209 WeakPolarHBondContact O-CB 3.34Å; A206-S209 PolarHBondContact O-N 2.92Å; A206-Q210 PolarHBondContact O-N 2.87Å; A206-L257 HydrophobicContact CB-CD1 4.21Å; A206-G276 VanDerWaalsContact CB-O 3.23Å; A206-G276 WeakPolarHBondContact CB-O 3.49Å; A206-N277 HydrophobicContact CB-CB 3.97Å; A206-I377 HydrophobicContact CB-CD1 4.47Å; A206-I377 HydrophobicContact CB-CG2 3.91Å
207L98.6Very high98.1Very high22 Ų2244.9 Ų44.912%0.11522%0.224CC..Hα-helixtrans-58-48.217317761.1000111D203 L204 S209 Q210 E211 T252 L254 L257D203-L207 PolarHBondContact O-N 3.24Å; L204-L207 PolarHBondContact O-N 3.45Å; L207-S209 VanDerWaalsContact C-N 3.28Å; L207-S209 PolarHBondContact O-N 2.74Å; L207-Q210 WeakPolarHBondContact O-CB 3.44Å; L207-Q210 PolarHBondContact O-N 3.35Å; L207-Q210 VanDerWaalsContact O-N 3.13Å; L207-E211 HydrophobicContact CD1-CG 4.27Å; L207-E211 HydrophobicContact CG-CG 4.39Å; L207-E211 WeakPolarHBondContact O-CG 3.41Å; L207-E211 PolarHBondContact O-N 2.77Å; L207-T252 HydrophobicContact CD1-CG2 4.15Å; L207-T252 WeakPolarHBondContact CD1-O 3.47Å; L207-L254 HydrophobicContact CD2-CB 4.16Å; L207-L257 HydrophobicContact CB-CD1 3.97Å
208R98.2Very high98.1Very high123 Ų12353.8 Ų53.846%0.46426%0.262SS..Hα-helixtrans-60.1-37.6178.1-72.3170.3177.5170-0.3112.2L204 F205 A206 E211 K212L204-R208 WeakPolarHBondContact O-CG 3.44Å; L204-R208 PolarHBondContact O-N 2.79Å; L204-R208 VanDerWaalsContact O-N 3.08Å; F205-R208 WeakPolarHBondContact O-CB 3.49Å; F205-R208 PolarHBondContact O-N 2.62Å; A206-R208 PolarHBondContact O-N 2.82Å; R208-E211 PolarHBondContact O-N 2.88Å; R208-K212 WeakPolarHBondContact O-CB 3.49Å; R208-K212 VanDerWaalsContact O-CG 3.23Å; R208-K212 WeakPolarHBondContact O-CG 3.49Å; R208-K212 PolarHBondContact O-N 3.09Å
209S98.5Very high98Very high2 Ų254.8 Ų54.81%0.01427%0.273CS..Hα-helixtrans-60.9-44.4175.5-172.30000111.6F205 A206 L207 K212 Y213 E350 G375F205-S209 PolarHBondContact O-N 3.42Å; A206-S209 WeakPolarHBondContact O-CB 3.34Å; A206-S209 PolarHBondContact O-N 2.92Å; L207-S209 VanDerWaalsContact C-N 3.28Å; L207-S209 PolarHBondContact O-N 2.74Å; S209-K212 PolarHBondContact O-N 2.87Å; S209-Y213 PolarHBondContact O-N 2.84Å; S209-E350 VanDerWaalsContact CB-OE2 3.3Å; S209-E350 WeakPolarHBondContact CB-OE2 3.47Å; S209-E350 PolarHBondContact OG-OE2 3.22Å; S209-G375 PolarHBondContact OG-N 2.92Å
210Q98.5Very high98Very high17 Ų1754.1 Ų54.18%0.07928%0.278CS..Hα-helixtrans-64.8-42.3175.3-64-73.1-11.100112.3A206 L207 Y213 A214 T252 I377 A378A206-Q210 PolarHBondContact O-N 2.87Å; L207-Q210 WeakPolarHBondContact O-CB 3.44Å; L207-Q210 PolarHBondContact O-N 3.35Å; L207-Q210 VanDerWaalsContact O-N 3.13Å; Q210-Y213 PolarHBondContact O-N 2.91Å; Q210-A214 WeakPolarHBondContact O-CB 3.43Å; Q210-A214 PolarHBondContact O-N 2.97Å; Q210-T252 HydrophobicContact CG-CG2 4.26Å; Q210-I377 PolarHBondContact NE2-O 3.36Å; Q210-A378 HydrophobicContact CG-CB 4.47Å
211E98.1Very high98Very high101 Ų10150.3 Ų50.347%0.47226%0.26SS..Hα-helixtrans-64.6-42.2177.5-70.7172.8160.300112.3L207 R208 A214 T215L207-E211 HydrophobicContact CD1-CG 4.27Å; L207-E211 HydrophobicContact CG-CG 4.39Å; L207-E211 WeakPolarHBondContact O-CG 3.41Å; L207-E211 PolarHBondContact O-N 2.77Å; R208-E211 PolarHBondContact O-N 2.88Å; E211-A214 PolarHBondContact O-N 2.96Å; E211-T215 WeakPolarHBondContact O-CB 3.17Å; E211-T215 PolarHBondContact O-N 2.85Å; E211-T215 PolarHBondContact O-OG1 3.05Å
212K98.2Very high98Very high56 Ų5646.4 Ų46.424%0.24324%0.241CC..Hα-helixtrans-63.6-44.1175.8-73.8179.2175.8-175.80111.1R208 S209 T215 A216 P367 L370 N371R208-K212 WeakPolarHBondContact O-CB 3.49Å; R208-K212 VanDerWaalsContact O-CG 3.23Å; R208-K212 WeakPolarHBondContact O-CG 3.49Å; R208-K212 PolarHBondContact O-N 3.09Å; S209-K212 PolarHBondContact O-N 2.87Å; K212-T215 PolarHBondContact O-N 3.13Å; K212-A216 VanDerWaalsContact O-CB 3.32Å; K212-A216 WeakPolarHBondContact O-CB 3.25Å; K212-A216 PolarHBondContact O-N 2.97Å; K212-P367 PolarHBondContact NZ-O 2.7Å; K212-P367 VanDerWaalsContact NZ-O 3.14Å; K212-L370 PolarHBondContact NZ-O 2.99Å; K212-N371 VanDerWaalsContact CD-O 3.25Å; K212-N371 WeakPolarHBondContact CD-O 3.17Å
213Y98.3Very high97.9Very high13 Ų1352.5 Ų52.55%0.05127%0.273CS..Hα-helixtrans-59.3-49.3173.1170.7-91.5000111.8S209 Q210 T215 A216 L217 F222 D245 P248 S373 A378 L379S209-Y213 PolarHBondContact O-N 2.84Å; Q210-Y213 PolarHBondContact O-N 2.91Å; Y213-T215 VanDerWaalsContact C-N 3.29Å; Y213-T215 PolarHBondContact O-N 2.84Å; Y213-A216 PolarHBondContact O-N 3.19Å; Y213-L217 HydrophobicContact CE1-CB 4.23Å; Y213-L217 HydrophobicContact CE1-CD2 3.9Å; Y213-L217 WeakPolarHBondContact O-CB 3.43Å; Y213-L217 PolarHBondContact O-N 3.43Å; Y213-F222 AromaticContact CD2-CE2 3.52Å; Y213-F222 HydrophobicContact CD2-CE2 3.52Å; Y213-F222 AromaticContact CD2-CZ 3.72Å; Y213-F222 HydrophobicContact CD2-CZ 3.72Å; Y213-F222 HydrophobicContact CE2-CD2 4.08Å; Y213-F222 AromaticContact CE2-CE2 3.45Å; Y213-F222 HydrophobicContact CE2-CE2 3.45Å; Y213-F222 VanDerWaalsContact CE2-CE2 3.45Å; Y213-F222 AromaticContact CE2-CZ 3.99Å; Y213-F222 HydrophobicContact CE2-CZ 3.99Å; Y213-F222 HydrophobicContact CG-CE2 4.47Å; Y213-D245 HydrophobicContact CE2-CB 4.49Å; Y213-P248 HydrophobicContact CD1-CB 3.47Å; Y213-P248 VanDerWaalsContact CD1-CB 3.47Å; Y213-P248 HydrophobicContact CD1-CG 3.76Å; Y213-P248 HydrophobicContact CD2-CG 4.17Å; Y213-P248 HydrophobicContact CE1-CB 3.19Å; Y213-P248 HydrophobicContact CE1-CG 3.3Å; Y213-P248 HydrophobicContact CE2-CG 3.74Å; Y213-P248 HydrophobicContact CG-CB 4.25Å; Y213-P248 HydrophobicContact CG-CG 4.18Å; Y213-S373 VanDerWaalsContact CA-O 3.31Å; Y213-S373 WeakPolarHBondContact CA-O 3.46Å; Y213-S373 PolarHBondContact N-O 3.46Å; Y213-A378 HydrophobicContact CG-CB 4.26Å; Y213-L379 HydrophobicContact CD2-CD2 3.54Å; Y213-L379 HydrophobicContact CD2-CG 3.91Å; Y213-L379 HydrophobicContact CE2-CD2 3.47Å; Y213-L379 VanDerWaalsContact CE2-CD2 3.47Å; Y213-L379 HydrophobicContact CE2-CG 4.33Å
214A98Very high97.8Very high39 Ų3957.5 Ų57.532%0.32230%0.299SS..Hα-helixtrans-60.5-41.2-178.900000111.8Q210 E211 K218Q210-A214 WeakPolarHBondContact O-CB 3.43Å; Q210-A214 PolarHBondContact O-N 2.97Å; E211-A214 PolarHBondContact O-N 2.96Å; A214-K218 WeakPolarHBondContact O-CB 3.39Å; A214-K218 PolarHBondContact O-N 3.06Å
215T97.7Very high97.7Very high93 Ų9354.7 Ų54.757%0.57128%0.284SS*.Hα-helixtrans-62.6-47.3174.9-57.90000111.2E211 K212 Y213 K218 A219E211-T215 WeakPolarHBondContact O-CB 3.17Å; E211-T215 PolarHBondContact O-N 2.85Å; E211-T215 PolarHBondContact O-OG1 3.05Å; K212-T215 PolarHBondContact O-N 3.13Å; Y213-T215 VanDerWaalsContact C-N 3.29Å; Y213-T215 PolarHBondContact O-N 2.84Å; T215-K218 PolarHBondContact O-N 3.43Å; T215-A219 WeakPolarHBondContact O-CB 3.43Å; T215-A219 PolarHBondContact O-N 3.22Å
216A97.4Very high97.7Very high2 Ų254.5 Ų54.52%0.01729%0.285CS..Hα-helixtrans-64.3-41.3179.400000112.6K212 Y213 A219 G220 H221 F222K212-A216 VanDerWaalsContact O-CB 3.32Å; K212-A216 WeakPolarHBondContact O-CB 3.25Å; K212-A216 PolarHBondContact O-N 2.97Å; Y213-A216 PolarHBondContact O-N 3.19Å; A216-A219 CarbonylContact O-C 3.56Å; A216-A219 PolarHBondContact O-N 3.03Å; A216-G220 PolarHBondContact O-N 2.6Å; A216-G220 VanDerWaalsContact O-N 3.16Å; A216-H221 WeakPolarHBondContact CA-ND1 3.42Å; A216-H221 HydrophobicContact CB-CB 3.9Å; A216-H221 WeakPolarHBondContact CB-ND1 3.33Å; A216-H221 VanDerWaalsContact O-CB 3.24Å; A216-H221 WeakPolarHBondContact O-CB 3.28Å; A216-H221 PolarHBondContact O-N 2.88Å; A216-F222 HydrophobicContact CB-CE2 3.73Å; A216-F222 HydrophobicContact CB-CZ 3.79Å
217L97.1Very high97.7Very high79 Ų7954.7 Ų54.741%0.41429%0.286SS..Hα-helixtrans-61-49.3175.6-178.868.3000111Y213 A219 G220 F222Y213-L217 HydrophobicContact CE1-CB 4.23Å; Y213-L217 HydrophobicContact CE1-CD2 3.9Å; Y213-L217 WeakPolarHBondContact O-CB 3.43Å; Y213-L217 PolarHBondContact O-N 3.43Å; L217-A219 PolarHBondContact O-N 3.23Å; L217-G220 PolarHBondContact O-N 3.22Å; L217-F222 HydrophobicContact CB-CD2 4.36Å; L217-F222 HydrophobicContact CB-CE2 4.34Å; L217-F222 HydrophobicContact CD1-CD2 4.29Å
218K97.4Very high97.7Very high197 Ų19757 Ų5786%0.85730%0.302SS*.Hα-helixtrans-61.2-34.8178.5-175.7178.8177.4-177.20112.2A214 T215 G220A214-K218 WeakPolarHBondContact O-CB 3.39Å; A214-K218 PolarHBondContact O-N 3.06Å; T215-K218 PolarHBondContact O-N 3.43Å; K218-G220 VanDerWaalsContact C-N 3.25Å; K218-G220 PolarHBondContact O-N 2.86Å
219A96.9Very high97.7Very high59 Ų5951.2 Ų51.249%0.48828%0.28SS..THydrogen-bonded Turntrans-81.41.9176.600000113.8T215 A216 L217 H221T215-A219 WeakPolarHBondContact O-CB 3.43Å; T215-A219 PolarHBondContact O-N 3.22Å; A216-A219 CarbonylContact O-C 3.56Å; A216-A219 PolarHBondContact O-N 3.03Å; L217-A219 PolarHBondContact O-N 3.23Å; A219-H221 VanDerWaalsContact C-N 3.28Å; A219-H221 VanDerWaalsContact CB-CD2 3.47Å; A219-H221 WeakPolarHBondContact CB-CD2 3.39Å; A219-H221 VanDerWaalsContact CB-NE2 3.26Å; A219-H221 WeakPolarHBondContact CB-NE2 3.31Å; A219-H221 PolarHBondContact O-CD2 3.18Å; A219-H221 PolarHBondContact O-N 2.87Å
220G96.9Very high97.7Very high24 Ų2457.9 Ų57.925%0.24731%0.309CS..THydrogen-bonded Turntrans71.419.9177.900000114.2A216 L217 K218 F222 I223A216-G220 PolarHBondContact O-N 2.6Å; A216-G220 VanDerWaalsContact O-N 3.16Å; L217-G220 PolarHBondContact O-N 3.22Å; K218-G220 VanDerWaalsContact C-N 3.25Å; K218-G220 PolarHBondContact O-N 2.86Å; G220-F222 PolarHBondContact O-N 3.3Å; G220-F222 VanDerWaalsContact O-N 3.16Å; G220-I223 WeakPolarHBondContact O-CB 3.3Å; G220-I223 WeakPolarHBondContact O-CG1 3.43Å; G220-I223 PolarHBondContact O-N 2.82Å
221H97Very high97.6Very high48 Ų4857.7 Ų57.722%0.22231%0.309CS..THydrogen-bonded Turntrans-62.3-25.5-173.8-71.3-177.2000114A216 A219 R400A216-H221 WeakPolarHBondContact CA-ND1 3.42Å; A216-H221 HydrophobicContact CB-CB 3.9Å; A216-H221 WeakPolarHBondContact CB-ND1 3.33Å; A216-H221 VanDerWaalsContact O-CB 3.24Å; A216-H221 WeakPolarHBondContact O-CB 3.28Å; A216-H221 PolarHBondContact O-N 2.88Å; A219-H221 VanDerWaalsContact C-N 3.28Å; A219-H221 VanDerWaalsContact CB-CD2 3.47Å; A219-H221 WeakPolarHBondContact CB-CD2 3.39Å; A219-H221 VanDerWaalsContact CB-NE2 3.26Å; A219-H221 WeakPolarHBondContact CB-NE2 3.31Å; A219-H221 PolarHBondContact O-CD2 3.18Å; A219-H221 PolarHBondContact O-N 2.87Å; H221-R400 PolarHBondContact CD2-NH1 3.01Å; H221-R400 VanDerWaalsContact CE1-CZ 3.5Å; H221-R400 VanDerWaalsContact CG-CZ 3.4Å; H221-R400 VanDerWaalsContact ND1-CZ 3.27Å; H221-R400 PolarHBondContact ND1-NH1 3.37Å; H221-R400 PolarHBondContact ND1-NH2 2.95Å
222F97.9Very high97.3Very high6 Ų656.7 Ų56.73%0.02631%0.311CS..THydrogen-bonded Turntrans-93.3-6.2-176.3-56.9-59.8000114.4Y213 A216 L217 G220 N224 E225 I226 S373 L379Y213-F222 AromaticContact CD2-CE2 3.52Å; Y213-F222 HydrophobicContact CD2-CE2 3.52Å; Y213-F222 AromaticContact CD2-CZ 3.72Å; Y213-F222 HydrophobicContact CD2-CZ 3.72Å; Y213-F222 HydrophobicContact CE2-CD2 4.08Å; Y213-F222 AromaticContact CE2-CE2 3.45Å; Y213-F222 HydrophobicContact CE2-CE2 3.45Å; Y213-F222 VanDerWaalsContact CE2-CE2 3.45Å; Y213-F222 AromaticContact CE2-CZ 3.99Å; Y213-F222 HydrophobicContact CE2-CZ 3.99Å; Y213-F222 HydrophobicContact CG-CE2 4.47Å; A216-F222 HydrophobicContact CB-CE2 3.73Å; A216-F222 HydrophobicContact CB-CZ 3.79Å; L217-F222 HydrophobicContact CB-CD2 4.36Å; L217-F222 HydrophobicContact CB-CE2 4.34Å; L217-F222 HydrophobicContact CD1-CD2 4.29Å; G220-F222 PolarHBondContact O-N 3.3Å; G220-F222 VanDerWaalsContact O-N 3.16Å; F222-N224 VanDerWaalsContact C-N 3.26Å; F222-N224 PolarHBondContact O-N 2.9Å; F222-E225 HydrophobicContact CB-CG 4.25Å; F222-E225 HydrophobicContact CD1-CG 4.25Å; F222-E225 WeakPolarHBondContact CD1-OE1 3.48Å; F222-E225 WeakPolarHBondContact O-CG 3.34Å; F222-E225 PolarHBondContact O-N 3.04Å; F222-E225 VanDerWaalsContact O-N 3.12Å; F222-I226 HydrophobicContact CB-CD1 3.71Å; F222-I226 HydrophobicContact CB-CG1 4.13Å; F222-I226 WeakPolarHBondContact O-CG1 3.5Å; F222-I226 PolarHBondContact O-N 2.75Å; F222-S373 WeakPolarHBondContact CZ-O 3.25Å; F222-L379 HydrophobicContact CZ-CD2 4.49Å
223I96.9Very high96.8Very high128 Ų12856.5 Ų56.566%0.65632%0.32SS*.THydrogen-bonded Turntrans-58.2-40.2-174.4-67.5170000111.4G220 E225G220-I223 WeakPolarHBondContact O-CB 3.3Å; G220-I223 WeakPolarHBondContact O-CG1 3.43Å; G220-I223 PolarHBondContact O-N 2.82Å; I223-E225 VanDerWaalsContact C-N 3.34Å
224N95.9Very high95.9Very high105 Ų10561.2 Ų61.256%0.56135%0.345SS*.THydrogen-bonded Turntrans-83.6-8-176.4-63.3-33.4000113.9L12 F222 H396L12-N224 WeakPolarHBondContact CD2-O 3.34Å; F222-N224 VanDerWaalsContact C-N 3.26Å; F222-N224 PolarHBondContact O-N 2.9Å; N224-H396 PolarHBondContact O-CE1 3.24Å; N224-H396 PolarHBondContact O-NE2 3.08Å
225E97.8Very high95.4Very high3 Ų363.2 Ų63.21%0.01437%0.37CS..THydrogen-bonded Turntrans-109.4-23.6177.765.4178.8-133.400113.8L12 R13 F222 I223 V392 T393 H396L12-E225 CarbonylContact C-O 3.45Å; L12-E225 WeakPolarHBondContact CA-O 3.14Å; R13-E225 HydrophobicContact CG-CB 4.45Å; R13-E225 HydrophobicContact CG-CG 4.4Å; R13-E225 WeakPolarHBondContact CG-O 3.45Å; R13-E225 IonicContact CZ-OE1 2.86Å; R13-E225 PolarHBondContact N-O 2.98Å; R13-E225 IonicContact NE-OE1 2.74Å; R13-E225 PolarHBondContact NE-OE1 3.25Å; R13-E225 IonicContact NH2-OE1 3.29Å; R13-E225 PolarHBondContact NH2-OE1 3.38Å; F222-E225 HydrophobicContact CB-CG 4.25Å; F222-E225 HydrophobicContact CD1-CG 4.25Å; F222-E225 WeakPolarHBondContact CD1-OE1 3.48Å; F222-E225 WeakPolarHBondContact O-CG 3.34Å; F222-E225 PolarHBondContact O-N 3.04Å; F222-E225 VanDerWaalsContact O-N 3.12Å; I223-E225 VanDerWaalsContact C-N 3.34Å; E225-V392 HydrophobicContact CB-CG1 3.61Å; E225-T393 PolarHBondContact OE1-OG1 3.3Å; E225-T393 VanDerWaalsContact OE2-CA 3.25Å; E225-T393 WeakPolarHBondContact OE2-CA 3.47Å; E225-T393 PolarHBondContact OE2-OG1 3.03Å; E225-H396 IonicContact OE2-CD2 3.19Å
226I98.5Very high94.7Very high27 Ų2769.1 Ų69.114%0.13839%0.387CS..BIsolated β-bridgetrans-84.2125.1-177.9-67.8177.9000111.5R13 P15 F222R13-I226 CarbonylContact O-C 3.6Å; R13-I226 WeakPolarHBondContact O-CA 3.14Å; P15-I226 HydrophobicContact CG-CG2 3.85Å; F222-I226 HydrophobicContact CB-CD1 3.71Å; F222-I226 HydrophobicContact CB-CG1 4.13Å; F222-I226 WeakPolarHBondContact O-CG1 3.5Å; F222-I226 PolarHBondContact O-N 2.75Å
227T98.3Very high94.1Very high4 Ų473.9 Ų73.93%0.02541%0.41CS..PPolyproline II helixtrans-93.1123.6168.2-67.20000110.5R13 P15 S38 I229R13-T227 PolarHBondContact O-N 3.08Å; P15-T227 VanDerWaalsContact CD-O 3.3Å; P15-T227 WeakPolarHBondContact CD-O 3.48Å; S38-T227 VanDerWaalsContact CB-CG2 3.49Å; S38-T227 WeakPolarHBondContact CB-OG1 3.41Å; S38-T227 WeakPolarHBondContact OG-CG2 3.48Å; T227-I229 HydrophobicContact CG2-CD1 4.22Å; T227-I229 PolarHBondContact O-N 3.04Å
228P98.3Very high93.8Very high72 Ų7277.5 Ų77.547%0.46842%0.424SS..PPolyproline II helixtrans-56.7125170.4-26.736.4000112.2I241 I242 I243P228-I241 HydrophobicContact CB-CG2 3.87Å; P228-I242 WeakPolarHBondContact CA-O 3.39Å; P228-I243 HydrophobicContact CB-CG2 3.77Å; P228-I243 HydrophobicContact CG-CG2 4Å
229I98.6Very high93.6Very high0 Ų072 Ų720%041%0.409CS..EExtended strand (participates in β ladder)trans-101.2125.2179.5-60.9-58.7000110.3L23 L26 L31 Q34 V35 T227 V231 I241 I242L23-I229 HydrophobicContact CD2-CB 4.3Å; L23-I229 HydrophobicContact CD2-CG2 3.95Å; L26-I229 HydrophobicContact CD1-CG2 3.53Å; L31-I229 HydrophobicContact CD2-CG2 3.88Å; Q34-I229 HydrophobicContact CB-CD1 4.04Å; V35-I229 HydrophobicContact CG2-CD1 4.03Å; T227-I229 HydrophobicContact CG2-CD1 4.22Å; T227-I229 PolarHBondContact O-N 3.04Å; I229-V231 HydrophobicContact CG2-CG2 4.46Å; I229-I241 CarbonylContact O-C 3.57Å; I229-I241 WeakPolarHBondContact O-CA 2.98Å; I229-I242 PolarHBondContact N-O 3.43Å; I229-I242 PolarHBondContact O-N 3.3Å
230K97.9Very high93.5Very high142 Ų14274.3 Ų74.362%0.61741%0.408SS*.EExtended strand (participates in β ladder)trans-84.5120.8172.9-62.2175.6-176.7174.20108.9Q34Q34-K230 PolarHBondContact NE2-O 3.33Å
231V96.6Very high93.5Very high13 Ų1378.6 Ų78.68%0.07942%0.424CS..EExtended strand (participates in β ladder)trans-104.3116.9172.2-178.10000107.3L23 L26 I229 P239 K240 I242L23-V231 HydrophobicContact CD2-CG2 4.25Å; L26-V231 HydrophobicContact CD1-CG2 3.99Å; L26-V231 HydrophobicContact CG-CG2 4.48Å; I229-V231 HydrophobicContact CG2-CG2 4.46Å; V231-P239 WeakPolarHBondContact O-CA 3.2Å; V231-K240 HydrophobicContact CB-CB 4.3Å; V231-K240 PolarHBondContact N-O 3.33Å; V231-K240 PolarHBondContact O-N 3.21Å; V231-I242 HydrophobicContact CG2-CG1 3.82Å
232P92.3Very high93.6Very high80 Ų8077.6 Ų77.652%0.51942%0.42SS..  trans-56.7153.2179-2533.6000112.9L26L26-P232 HydrophobicContact CD2-CG 4.45Å
233A88.2Confident93.6Very high52 Ų5282.1 Ų82.143%0.4344%0.443SS..  trans-56.7134.3169.300000111.2E237A233-E237 WeakPolarHBondContact CB-O 3.32Å
234I79.2Confident93.5Very high112 Ų11279.7 Ų79.757%0.57443%0.434SS*.  trans-107115.7169.6-58.3177000108K236 E237I234-K236 PolarHBondContact O-N 3.08Å; I234-K236 VanDerWaalsContact O-N 3.08Å; I234-E237 WeakPolarHBondContact O-CB 3.35Å; I234-E237 PolarHBondContact O-N 2.85Å
235G86.1Confident93.6Very high82 Ų8275.1 Ų75.185%0.84541%0.41SS*.THydrogen-bonded Turntrans63.9-109.1178.900000112.7
236K83.5Confident93.6Very high216 Ų21677.5 Ų77.594%0.93942%0.421SS*.THydrogen-bonded Turntrans-101.61.2179-65.4-176.3178.9-179.30113.4I234I234-K236 PolarHBondContact O-N 3.08Å; I234-K236 VanDerWaalsContact O-N 3.08Å
237E85.7Confident93.5Very high103 Ų10377.2 Ų77.248%0.48142%0.419SS..SBendtrans-74149.6177.4-64.8-169.7-168.200111.3A233 I234 K240A233-E237 WeakPolarHBondContact CB-O 3.32Å; I234-E237 WeakPolarHBondContact O-CB 3.35Å; I234-E237 PolarHBondContact O-N 2.85Å; E237-K240 IonicContact OE2-NZ 3.79Å; E237-K240 PolarHBondContact OE2-NZ 2.85Å
238E89.6Confident93.5Very high154 Ų15478 Ų7872%0.7243%0.425SS*.PPolyproline II helixtrans-73.7150.3171.3-67.6-61.715000111.1
239P93.4Very high93.4Very high82 Ų8281.5 Ų81.553%0.53243%0.428SS..PPolyproline II helixtrans-61.7140.4172.627.8-33.7000110.6V231V231-P239 WeakPolarHBondContact O-CA 3.2Å
240K95.2Very high93.1Very high107 Ų10786.8 Ų86.847%0.46546%0.463SS..EExtended strand (participates in β ladder)trans-107.1145.7-177.9-62.5169.7-169.6159.70110V231 E237 I242V231-K240 HydrophobicContact CB-CB 4.3Å; V231-K240 PolarHBondContact N-O 3.33Å; V231-K240 PolarHBondContact O-N 3.21Å; E237-K240 IonicContact OE2-NZ 3.79Å; E237-K240 PolarHBondContact OE2-NZ 2.85Å; K240-I242 HydrophobicContact CB-CD1 4.15Å
241I97.4Very high92.9Very high114 Ų11485.8 Ų85.859%0.58546%0.464SS*.EExtended strand (participates in β ladder)trans-113.6114.6169.1-57.3177.2000107.2P228 I229 I243P228-I241 HydrophobicContact CB-CG2 3.87Å; I229-I241 CarbonylContact O-C 3.57Å; I229-I241 WeakPolarHBondContact O-CA 2.98Å; I241-I243 HydrophobicContact CG2-CG2 3.95Å
242I97.9Very high92.9Very high27 Ų2786.3 Ų86.314%0.13847%0.467CS..EExtended strand (participates in β ladder)trans-97.3123.4-180-50-55.3000108.5P15 C22 L23 P228 I229 V231 K240P15-I242 HydrophobicContact CB-CG2 4.16Å; P15-I242 HydrophobicContact CG-CG2 4.12Å; C22-I242 HydrophobicContact CB-CD1 4.04Å; C22-I242 HydrophobicContact CB-CG1 4.33Å; L23-I242 HydrophobicContact CD2-CB 4.2Å; L23-I242 HydrophobicContact CD2-CG1 4.11Å; L23-I242 HydrophobicContact CD2-CG2 4.31Å; P228-I242 WeakPolarHBondContact CA-O 3.39Å; I229-I242 PolarHBondContact N-O 3.43Å; I229-I242 PolarHBondContact O-N 3.3Å; V231-I242 HydrophobicContact CG2-CG1 3.82Å; K240-I242 HydrophobicContact CB-CD1 4.15Å
243I97.4Very high93.1Very high102 Ų10285.4 Ų85.452%0.52346%0.46SS..  trans-126.41.1-177.764.3173.2000113.4P228 I241P228-I243 HydrophobicContact CB-CG2 3.77Å; P228-I243 HydrophobicContact CG-CG2 4Å; I241-I243 HydrophobicContact CG2-CG2 3.95Å
244T96.2Very high93.5Very high76 Ų7686.4 Ų86.447%0.46646%0.458SS..SBendtrans-132.2137.3-172.2-49.20000110.1P15P15-T244 WeakPolarHBondContact CB-O 3.34Å
245D98.4Very high94.4Very high10 Ų1084.2 Ų84.25%0.05346%0.457CS..  trans-59.8132.6172.4-63.8-54.1000110.4R13 P15 I16 Y213 P248 L379R13-D245 IonicContact CZ-OD1 3.97Å; R13-D245 IonicContact CZ-OD2 2.81Å; R13-D245 IonicContact NH1-OD1 3.29Å; R13-D245 PolarHBondContact NH1-OD1 3.39Å; R13-D245 IonicContact NH1-OD2 3.7Å; R13-D245 PolarHBondContact NH1-OD2 2.86Å; R13-D245 IonicContact NH2-OD1 3.42Å; R13-D245 IonicContact NH2-OD2 2.7Å; R13-D245 PolarHBondContact NH2-OD2 3.06Å; P15-D245 VanDerWaalsContact CA-OD1 3.28Å; P15-D245 WeakPolarHBondContact CA-OD1 3.3Å; I16-D245 PolarHBondContact N-OD1 2.86Å; Y213-D245 HydrophobicContact CE2-CB 4.49Å; D245-P248 HydrophobicContact CB-CG 4Å; D245-L379 HydrophobicContact CB-CD2 4.45Å; D245-L379 WeakPolarHBondContact OD2-CD2 3.41Å
246E97.4Very high94.9Very high53 Ų5385.8 Ų85.825%0.24844%0.44CS..SBendtrans-93.7-23.7-173.6-166.8-172.7-174.200113I16 R18 G21 C22I16-E246 PolarHBondContact O-N 3.3Å; R18-E246 HydrophobicContact CG-CG 4.23Å; R18-E246 WeakPolarHBondContact CG-OE2 3.42Å; R18-E246 IonicContact CZ-OE1 3.44Å; R18-E246 PolarHBondContact N-OE2 3.19Å; R18-E246 VanDerWaalsContact N-OE2 3.13Å; R18-E246 VanDerWaalsContact NE-CD 3.33Å; R18-E246 IonicContact NE-OE1 3.23Å; R18-E246 PolarHBondContact NE-OE1 2.94Å; R18-E246 IonicContact NE-OE2 2.72Å; R18-E246 IonicContact NH2-OE1 2.7Å; R18-E246 PolarHBondContact NH2-OE1 2.84Å; G21-E246 WeakPolarHBondContact CA-OE2 3.32Å; C22-E246 PolarHBondContact N-OE1 3.11Å; C22-E246 PolarHBondContact N-OE2 3.24Å; C22-E246 PolarHBondContact SG-OE2 2.85Å
247H96.3Very high95.6Very high21 Ų2176 Ų7610%0.09740%0.398CS..SBendtrans-71-36.8-176.5-16264000116.2G280 A378 L379H247-G280 WeakPolarHBondContact CE1-CA 3.25Å; H247-G280 PolarHBondContact NE2-N 3.12Å; H247-A378 CarbonylContact C-O 3.53Å; H247-A378 PolarHBondContact CD2-O 3.44Å; H247-L379 WeakPolarHBondContact CB-O 3.38Å
248P97.7Very high96Very high21 Ų2174.2 Ų74.214%0.13640%0.397CS..  trans-55.9143.9-175.1-27.734.2000114.4Y213 D245 A378Y213-P248 HydrophobicContact CD1-CB 3.47Å; Y213-P248 VanDerWaalsContact CD1-CB 3.47Å; Y213-P248 HydrophobicContact CD1-CG 3.76Å; Y213-P248 HydrophobicContact CD2-CG 4.17Å; Y213-P248 HydrophobicContact CE1-CB 3.19Å; Y213-P248 HydrophobicContact CE1-CG 3.3Å; Y213-P248 HydrophobicContact CE2-CG 3.74Å; Y213-P248 HydrophobicContact CG-CB 4.25Å; Y213-P248 HydrophobicContact CG-CG 4.18Å; D245-P248 HydrophobicContact CB-CG 4Å; P248-A378 VanDerWaalsContact CA-O 3.3Å; P248-A378 WeakPolarHBondContact CA-O 3.36Å; P248-A378 WeakPolarHBondContact CD-O 3.5Å; P248-A378 WeakPolarHBondContact CG-O 3.22Å
249R96.2Very high96.4Very high144 Ų14475.2 Ų75.254%0.54340%0.399SS..  trans-123.788.5-175.8-62.4-171.2-164.5-84.52.8110.3D251 T252R249-D251 PolarHBondContact O-N 3.28Å; R249-T252 VanDerWaalsContact CB-OG1 3.25Å; R249-T252 WeakPolarHBondContact CB-OG1 3.26Å; R249-T252 WeakPolarHBondContact O-CB 3.49Å; R249-T252 PolarHBondContact O-N 2.84Å; R249-T252 VanDerWaalsContact O-N 3.12Å; R249-T252 PolarHBondContact O-OG1 2.88Å
250P91.6Very high96.5Very high112 Ų11274.6 Ų74.673%0.72739%0.391SS*.THydrogen-bonded Turntrans-63.3-27.4-174.424.4-34.1000113.6T252P250-T252 PolarHBondContact O-N 3.14Å
251D93.9Very high96.4Very high120 Ų12079.3 Ų79.364%0.64241%0.406SS*.THydrogen-bonded Turntrans-85.114.8179.2-55.1-42.4000113.6R249 T253 K256R249-D251 PolarHBondContact O-N 3.28Å; D251-T253 PolarHBondContact O-N 2.95Å; D251-K256 WeakPolarHBondContact O-CD 3.42Å; D251-K256 PolarHBondContact O-NZ 2.78Å
252T96.6Very high96.3Very high24 Ų2474.7 Ų74.715%0.14738%0.383CS..  trans-65131.8178.4-61.70000109.7L207 Q210 R249 P250 L257L207-T252 HydrophobicContact CD1-CG2 4.15Å; L207-T252 WeakPolarHBondContact CD1-O 3.47Å; Q210-T252 HydrophobicContact CG-CG2 4.26Å; R249-T252 VanDerWaalsContact CB-OG1 3.25Å; R249-T252 WeakPolarHBondContact CB-OG1 3.26Å; R249-T252 WeakPolarHBondContact O-CB 3.49Å; R249-T252 PolarHBondContact O-N 2.84Å; R249-T252 VanDerWaalsContact O-N 3.12Å; R249-T252 PolarHBondContact O-OG1 2.88Å; P250-T252 PolarHBondContact O-N 3.14Å; T252-L257 HydrophobicContact CG2-CD1 3.73Å; T252-L257 HydrophobicContact CG2-CD2 3.91Å; T252-L257 HydrophobicContact CG2-CG 3.77Å
253T97.1Very high96.1Very high61 Ų6176.3 Ų76.337%0.37440%0.401SS..  trans-133.7154174.467.30000109.1D251 A255 K256 L257D251-T253 PolarHBondContact O-N 2.95Å; T253-A255 PolarHBondContact O-N 2.75Å; T253-K256 WeakPolarHBondContact O-CB 3.47Å; T253-K256 PolarHBondContact O-N 2.95Å; T253-K256 WeakPolarHBondContact OG1-CG 3.5Å; T253-K256 PolarHBondContact OG1-N 3.35Å; T253-L257 PolarHBondContact O-N 3.16Å
254L97Very high95.7Very high74 Ų7474.9 Ų74.939%0.38739%0.391SS..Hα-helixtrans-55-42.2176.8-170.260.9000111.2D203 L207 K256 L257 S258D203-L254 HydrophobicContact CB-CD1 3.88Å; L207-L254 HydrophobicContact CD2-CB 4.16Å; L254-K256 VanDerWaalsContact C-N 3.3Å; L254-K256 PolarHBondContact O-N 2.89Å; L254-L257 PolarHBondContact O-N 3.07Å; L254-L257 VanDerWaalsContact O-N 3.14Å; L254-S258 PolarHBondContact O-N 2.7Å; L254-S258 PolarHBondContact O-OG 3.01Å
255A97.3Very high94.9Very high65 Ų6575 Ų7554%0.53739%0.386SS..Hα-helixtrans-62.3-31.1176.800000114.2T253 K259T253-A255 PolarHBondContact O-N 2.75Å; A255-K259 WeakPolarHBondContact O-CG 3.2Å
256K97.5Very high93.8Very high116 Ų11684.2 Ų84.250%0.50443%0.429SS..Hα-helixtrans-73.8-42.8173-76.8177.1-177.5174.10110.8D251 T253 L254 K259D251-K256 WeakPolarHBondContact O-CD 3.42Å; D251-K256 PolarHBondContact O-NZ 2.78Å; T253-K256 WeakPolarHBondContact O-CB 3.47Å; T253-K256 PolarHBondContact O-N 2.95Å; T253-K256 WeakPolarHBondContact OG1-CG 3.5Å; T253-K256 PolarHBondContact OG1-N 3.35Å; L254-K256 VanDerWaalsContact C-N 3.3Å; L254-K256 PolarHBondContact O-N 2.89Å; K256-K259 PolarHBondContact O-N 3.38Å
257L97.4Very high92.9Very high9 Ų984.7 Ų84.75%0.04743%0.433CS..Hα-helixtrans-61.5-48.2178.5-67.3172.9000111.1R199 D203 A206 L207 T252 T253 L254 K259 L260R199-L257 PolarHBondContact NH2-O 3.16Å; D203-L257 HydrophobicContact CB-CB 3.94Å; D203-L257 HydrophobicContact CB-CD1 4.34Å; D203-L257 WeakPolarHBondContact O-CD1 3.49Å; A206-L257 HydrophobicContact CB-CD1 4.21Å; L207-L257 HydrophobicContact CB-CD1 3.97Å; T252-L257 HydrophobicContact CG2-CD1 3.73Å; T252-L257 HydrophobicContact CG2-CD2 3.91Å; T252-L257 HydrophobicContact CG2-CG 3.77Å; T253-L257 PolarHBondContact O-N 3.16Å; L254-L257 PolarHBondContact O-N 3.07Å; L254-L257 VanDerWaalsContact O-N 3.14Å; L257-K259 PolarHBondContact O-N 3.12Å; L257-K259 VanDerWaalsContact O-N 3.07Å; L257-L260 HydrophobicContact CD2-CD1 4.21Å; L257-L260 VanDerWaalsContact O-CB 3.31Å; L257-L260 WeakPolarHBondContact O-CB 3.2Å; L257-L260 WeakPolarHBondContact O-CG 3.46Å; L257-L260 PolarHBondContact O-N 3.44Å
258S95.7Very high91.9Very high66 Ų6687 Ų8746%0.46245%0.448SS..THydrogen-bonded Turntrans-62.5-20.5-178.4-52.70000114.3D203 L254 L260D203-S258 WeakPolarHBondContact OD2-CA 3.31Å; D203-S258 PolarHBondContact OD2-N 2.69Å; L254-S258 PolarHBondContact O-N 2.7Å; L254-S258 PolarHBondContact O-OG 3.01Å; S258-L260 VanDerWaalsContact C-N 3.34Å
259K96.1Very high90.9Very high176 Ų17692.4 Ų92.477%0.76548%0.476SS*.THydrogen-bonded Turntrans-80.9-13.2175.8-72.1175.6-176.9-176.70113.6A255 K256 L257A255-K259 WeakPolarHBondContact O-CG 3.2Å; K256-K259 PolarHBondContact O-N 3.38Å; L257-K259 PolarHBondContact O-N 3.12Å; L257-K259 VanDerWaalsContact O-N 3.07Å
260L95.7Very high90.3Very high69 Ų6992 Ų9236%0.36148%0.48SS..SBendtrans-71.9135.6179.6-61.3173.9000110.1R199 L257 S258 T274 G276R199-L260 PolarHBondContact NH1-O 3.43Å; R199-L260 PolarHBondContact NH2-O 3.5Å; L257-L260 HydrophobicContact CD2-CD1 4.21Å; L257-L260 VanDerWaalsContact O-CB 3.31Å; L257-L260 WeakPolarHBondContact O-CB 3.2Å; L257-L260 WeakPolarHBondContact O-CG 3.46Å; L257-L260 PolarHBondContact O-N 3.44Å; S258-L260 VanDerWaalsContact C-N 3.34Å; L260-T274 HydrophobicContact CB-CG2 4.13Å; L260-G276 VanDerWaalsContact CD1-CA 3.47Å
261R94.6Very high90.4Very high205 Ų20587.1 Ų87.177%0.77445%0.45SS*.PPolyproline II helixtrans-75.9143.3174.7-65-174.8-65.9-177.30.4109.9
262P95.5Very high90.5Very high18 Ų1882.6 Ų82.612%0.11743%0.427CS..BIsolated β-bridgetrans-53.9142.1167.2-27.638.5000111.8T268 G271 V273P262-T268 VanDerWaalsContact CG-O 3.31Å; P262-T268 WeakPolarHBondContact CG-O 3.35Å; P262-G271 VanDerWaalsContact CG-C 3.49Å; P262-G271 WeakPolarHBondContact CG-O 3.25Å; P262-V273 CarbonylContact C-O 3.57Å; P262-V273 VanDerWaalsContact CA-O 3.27Å; P262-V273 WeakPolarHBondContact CA-O 3.48Å
263A92.1Very high90.5Very high61 Ų6181.4 Ų81.450%0.50442%0.42SS..SBendtrans-109.4-15.4-171.300000113.7V273A263-V273 PolarHBondContact N-O 3.02Å
264F89Confident90.6Very high72 Ų7278.5 Ų78.532%0.31640%0.402SS..SBendtrans-128.45.3-167.9-58.5-79.5000114.8P183 V273 F352P183-F264 HydrophobicContact CB-CD1 3.89Å; P183-F264 HydrophobicContact CB-CE1 4.2Å; P183-F264 HydrophobicContact CG-CD1 3.86Å; F264-V273 HydrophobicContact CD2-CB 4.09Å; F264-V273 HydrophobicContact CD2-CG1 3.59Å; F264-V273 HydrophobicContact CE2-CG1 3.87Å; F264-F352 HydrophobicContact CE2-CE1 4.15Å; F264-F352 HydrophobicContact CZ-CE1 4.45Å
265H79.8Confident90.5Very high78 Ų7879 Ų7936%0.36142%0.417SS..  trans-114135.1174.4-163.4-80000109.2D267 G271H265-D267 PolarHBondContact ND1-N 3.32Å; H265-D267 VanDerWaalsContact ND1-N 3.16Å; H265-D267 PolarHBondContact ND1-O 3.32Å; H265-D267 PolarHBondContact O-N 2.87Å; H265-G271 VanDerWaalsContact CB-CA 3.44Å
266E74.9Confident90.5Very high203 Ų20376.7 Ų76.795%0.94940%0.399SS*.SBendtrans-59.4-46.9-179.2-66.6-174.917000111.3T268E266-T268 PolarHBondContact O-N 3.49Å
267D79.5Confident90.5Very high64 Ų6471.1 Ų71.134%0.34238%0.375SS..SBendtrans-86.6104.9168.1-170.2-12000110.8H265 N269 H270 G271H265-D267 PolarHBondContact ND1-N 3.32Å; H265-D267 VanDerWaalsContact ND1-N 3.16Å; H265-D267 PolarHBondContact ND1-O 3.32Å; H265-D267 PolarHBondContact O-N 2.87Å; D267-N269 PolarHBondContact O-N 3.01Å; D267-N269 VanDerWaalsContact O-N 3.08Å; D267-N269 VanDerWaalsContact OD1-CB 3.31Å; D267-N269 WeakPolarHBondContact OD1-CB 3.46Å; D267-N269 PolarHBondContact OD1-N 3.44Å; D267-N269 PolarHBondContact OD1-ND2 3.41Å; D267-N269 VanDerWaalsContact OD1-ND2 3.08Å; D267-H270 HydrophobicContact CB-CB 4.49Å; D267-H270 PolarHBondContact O-N 3.02Å; D267-H270 IonicContact OD2-CD2 3.18Å; D267-H270 PolarHBondContact OD2-CD2 3.5Å; D267-H270 IonicContact OD2-NE2 3.8Å; D267-G271 PolarHBondContact O-N 2.87Å
268T75Confident90.6Very high68 Ų6871 Ų7142%0.41738%0.375SS..THydrogen-bonded Turntrans-61.6-12.9177.357.50000114.6P262 E266 H270P262-T268 VanDerWaalsContact CG-O 3.31Å; P262-T268 WeakPolarHBondContact CG-O 3.35Å; E266-T268 PolarHBondContact O-N 3.49Å; T268-H270 VanDerWaalsContact C-N 3.32Å
269N77.3Confident90.7Very high136 Ų13669 Ų6973%0.72736%0.361SS*.THydrogen-bonded Turntrans-80.6-14.4173-58.7-56.2000113D267D267-N269 PolarHBondContact O-N 3.01Å; D267-N269 VanDerWaalsContact O-N 3.08Å; D267-N269 VanDerWaalsContact OD1-CB 3.31Å; D267-N269 WeakPolarHBondContact OD1-CB 3.46Å; D267-N269 PolarHBondContact OD1-N 3.44Å; D267-N269 PolarHBondContact OD1-ND2 3.41Å; D267-N269 VanDerWaalsContact OD1-ND2 3.08Å
270H83.3Confident90.7Very high135 Ų13561.3 Ų61.363%0.62533%0.332SS*.THydrogen-bonded Turntrans-114.4-10.5-178.1-71-55.6000114D267 T268D267-H270 HydrophobicContact CB-CB 4.49Å; D267-H270 PolarHBondContact O-N 3.02Å; D267-H270 IonicContact OD2-CD2 3.18Å; D267-H270 PolarHBondContact OD2-CD2 3.5Å; D267-H270 IonicContact OD2-NE2 3.8Å; T268-H270 VanDerWaalsContact C-N 3.32Å
271G92.4Very high90.9Very high9 Ų960.2 Ų60.29%0.09333%0.328CS..  trans-77.2150.517300000113.1E189 P262 H265 D267E189-G271 WeakPolarHBondContact OE1-CA 3.49Å; P262-G271 VanDerWaalsContact CG-C 3.49Å; P262-G271 WeakPolarHBondContact CG-O 3.25Å; H265-G271 VanDerWaalsContact CB-CA 3.44Å; D267-G271 PolarHBondContact O-N 2.87Å
272T96.7Very high91Very high25 Ų2550.5 Ų50.515%0.15329%0.291CS..  trans-122.1-21.2179.366.60000112.7E189 R199 Q202 N277E189-T272 VanDerWaalsContact CD-N 3.27Å; E189-T272 PolarHBondContact OE1-N 2.9Å; E189-T272 PolarHBondContact OE2-N 3.13Å; E189-T272 PolarHBondContact OE2-OG1 3.27Å; R199-T272 HydrophobicContact CB-CG2 4.39Å; R199-T272 WeakPolarHBondContact CD-O 3.17Å; Q202-T272 PolarHBondContact NE2-OG1 3.07Å; T272-N277 PolarHBondContact O-ND2 3.37Å
273V97.7Very high91.2Very high0 Ų049.6 Ų49.60%029%0.285CS..  trans-87.9122.7-178.5-177.50000110.1A188 E189 P262 A263 F264 N277 A278 F352A188-V273 HydrophobicContact CB-CG2 3.94Å; E189-V273 HydrophobicContact CG-CB 4.28Å; E189-V273 HydrophobicContact CG-CG2 3.89Å; E189-V273 WeakPolarHBondContact OE1-CB 3.31Å; E189-V273 PolarHBondContact OE1-N 3.21Å; P262-V273 CarbonylContact C-O 3.57Å; P262-V273 VanDerWaalsContact CA-O 3.27Å; P262-V273 WeakPolarHBondContact CA-O 3.48Å; A263-V273 PolarHBondContact N-O 3.02Å; F264-V273 HydrophobicContact CD2-CB 4.09Å; F264-V273 HydrophobicContact CD2-CG1 3.59Å; F264-V273 HydrophobicContact CE2-CG1 3.87Å; V273-N277 WeakPolarHBondContact CA-OD1 3.26Å; V273-A278 HydrophobicContact CG1-CB 4.45Å; V273-F352 HydrophobicContact CG1-CD1 3.57Å; V273-F352 HydrophobicContact CG1-CE1 3.93Å
274T97.5Very high91.5Very high0 Ų046.7 Ų46.70%026%0.261CS..BIsolated β-bridgetrans-123.3166.5178.972.40000111.1R199 L260 G276 N277 A278R199-T274 VanDerWaalsContact NH1-CG2 3.34Å; L260-T274 HydrophobicContact CB-CG2 4.13Å; T274-G276 PolarHBondContact O-N 3.32Å; T274-G276 PolarHBondContact OG1-N 3.13Å; T274-G276 VanDerWaalsContact OG1-N 3.13Å; T274-N277 PolarHBondContact N-OD1 3.48Å; T274-N277 PolarHBondContact O-N 2.91Å; T274-N277 PolarHBondContact O-OD1 3.2Å; T274-N277 VanDerWaalsContact O-OD1 3.09Å; T274-N277 PolarHBondContact OG1-N 3.08Å; T274-N277 PolarHBondContact OG1-ND2 3.04Å; T274-A278 WeakPolarHBondContact O-CB 3.33Å; T274-A278 PolarHBondContact O-N 3.37Å; T274-A278 VanDerWaalsContact O-N 3.17Å
275A96Very high92Very high85 Ų8543.3 Ų43.370%0.70225%0.247SC*.THydrogen-bonded Turntrans-61.2-14.4170.900000113.9
276G97.2Very high92.9Very high15 Ų1539.6 Ų39.616%0.15523%0.23CC..THydrogen-bonded Turntrans-89.2-22.5178.200000114A206 L260 T274A206-G276 VanDerWaalsContact CB-O 3.23Å; A206-G276 WeakPolarHBondContact CB-O 3.49Å; L260-G276 VanDerWaalsContact CD1-CA 3.47Å; T274-G276 PolarHBondContact O-N 3.32Å; T274-G276 PolarHBondContact OG1-N 3.13Å; T274-G276 VanDerWaalsContact OG1-N 3.13Å
277N98.2Very high94Very high0 Ų030 Ų300%018%0.184CC..THydrogen-bonded Turntrans-113.814.2178.866.430.3000113.2Q202 D203 A206 T272 V273 T274 A353Q202-N277 HydrophobicContact CB-CB 4.12Å; D203-N277 PolarHBondContact OD1-ND2 3.27Å; A206-N277 HydrophobicContact CB-CB 3.97Å; T272-N277 PolarHBondContact O-ND2 3.37Å; V273-N277 WeakPolarHBondContact CA-OD1 3.26Å; T274-N277 PolarHBondContact N-OD1 3.48Å; T274-N277 PolarHBondContact O-N 2.91Å; T274-N277 PolarHBondContact O-OD1 3.2Å; T274-N277 VanDerWaalsContact O-OD1 3.09Å; T274-N277 PolarHBondContact OG1-N 3.08Å; T274-N277 PolarHBondContact OG1-ND2 3.04Å; N277-A353 HydrophobicContact CB-CB 4.04Å; N277-A353 WeakPolarHBondContact O-CB 3.39Å; N277-A353 PolarHBondContact O-N 3.02Å
278A98.2Very high95Very high7 Ų726.9 Ų26.96%0.05817%0.168CC..BIsolated β-bridgetrans-116157.1171.500000110.3V273 T274 F352V273-A278 HydrophobicContact CG1-CB 4.45Å; T274-A278 WeakPolarHBondContact O-CB 3.33Å; T274-A278 PolarHBondContact O-N 3.37Å; T274-A278 VanDerWaalsContact O-N 3.17Å; A278-F352 HydrophobicContact CB-CD1 3.51Å; A278-F352 HydrophobicContact CB-CE1 3.61Å
279S98Very high96.1Very high24 Ų2423.7 Ų23.717%0.16815%0.148CC..PPolyproline II helixtrans-68.7157.4169.7620000112.3E350 A351 A376 H381S279-E350 WeakPolarHBondContact CB-O 3.25Å; S279-A351 PolarHBondContact N-O 3.38Å; S279-A351 PolarHBondContact OG-O 3.09Å; S279-A376 WeakPolarHBondContact CB-O 3.35Å; S279-H381 VanDerWaalsContact CB-CB 3.5Å; S279-H381 VanDerWaalsContact OG-CB 3.24Å; S279-H381 WeakPolarHBondContact OG-CB 3Å
280G97Very high97.1Very high14 Ų1417.2 Ų17.214%0.14411%0.114CC..PPolyproline II helixtrans-70.9169.5171.100000114.8H247 N282H247-G280 WeakPolarHBondContact CE1-CA 3.25Å; H247-G280 PolarHBondContact NE2-N 3.12Å; G280-N282 VanDerWaalsContact CA-OD1 3.26Å; G280-N282 WeakPolarHBondContact CA-OD1 3.36Å; G280-N282 PolarHBondContact O-OD1 3.21Å
281V98.1Very high97.7Very high46 Ų4610.8 Ų10.828%0.2798%0.084SC..PPolyproline II helixtrans-93.6126.31601780000107.6M19 M134 I170 L175M19-V281 HydrophobicContact CB-CB 4.27Å; M19-V281 HydrophobicContact CB-CG1 4.23Å; M19-V281 HydrophobicContact CE-CB 4.37Å; M19-V281 HydrophobicContact CE-CG1 3.28Å; M19-V281 HydrophobicContact CG-CG1 4.3Å; M19-V281 PolarHBondContact N-O 3.28Å; M19-V281 HydrophobicContact SD-CG1 3.76Å; M134-V281 HydrophobicContact CB-CG1 3.7Å; M134-V281 HydrophobicContact CE-CG1 3.6Å; M134-V281 HydrophobicContact CG-CG1 4.3Å; M134-V281 HydrophobicContact SD-CG1 3.73Å; I170-V281 HydrophobicContact CG2-CG1 4.5Å; L175-V281 HydrophobicContact CD1-CG2 4.01Å
282N98.7Very high97.8Very high0 Ų012.6 Ų12.60%09%0.088CC..EExtended strand (participates in β ladder)trans-147.4159.4-159.6-65.8103.6000114I16 G17 M134 G280 G380 H381 P382I16-N282 HydrophobicContact CG2-CB 3.59Å; G17-N282 WeakPolarHBondContact O-CA 3.48Å; G17-N282 WeakPolarHBondContact O-CB 3.4Å; G17-N282 PolarHBondContact O-ND2 2.81Å; M134-N282 VanDerWaalsContact CG-O 3.23Å; M134-N282 WeakPolarHBondContact CG-O 3.47Å; G280-N282 VanDerWaalsContact CA-OD1 3.26Å; G280-N282 WeakPolarHBondContact CA-OD1 3.36Å; G280-N282 PolarHBondContact O-OD1 3.21Å; N282-G380 WeakPolarHBondContact OD1-CA 3.45Å; N282-H381 PolarHBondContact OD1-N 2.93Å; N282-P382 HydrophobicContact CB-CB 4.36Å
283D98.7Very high97.7Very high0 Ų011.8 Ų11.80%08%0.084CC..EExtended strand (participates in β ladder)trans-108.9144.5171.2-51.2-43.1000109.6I16 G17 L23 L31 E132 S133 M134 S135I16-D283 WeakPolarHBondContact CA-O 3.47Å; G17-D283 PolarHBondContact N-O 2.75Å; G17-D283 PolarHBondContact O-N 2.7Å; L23-D283 HydrophobicContact CB-CB 4Å; L31-D283 HydrophobicContact CD1-CB 4.26Å; E132-D283 WeakPolarHBondContact O-CA 3.19Å; S133-D283 VanDerWaalsContact C-OD1 3.3Å; S133-D283 VanDerWaalsContact CA-OD1 3.31Å; S133-D283 WeakPolarHBondContact CA-OD1 3.4Å; M134-D283 PolarHBondContact N-OD1 3.35Å; S135-D283 WeakPolarHBondContact CB-OD1 3.3Å; S135-D283 VanDerWaalsContact CB-OD2 3.26Å; S135-D283 WeakPolarHBondContact CB-OD2 3.44Å; S135-D283 PolarHBondContact N-OD1 2.98Å; S135-D283 VanDerWaalsContact OG-CG 3.28Å; S135-D283 PolarHBondContact OG-OD1 2.93Å; S135-D283 PolarHBondContact OG-OD2 2.85Å
284G98.7Very high97.4Very high0 Ų014.9 Ų14.90%010%0.101CC..EExtended strand (participates in β ladder)trans171.1169.1173.500000114.7S14 E132S14-G284 VanDerWaalsContact OG-CA 3.3Å; S14-G284 WeakPolarHBondContact OG-CA 3.07Å; E132-G284 PolarHBondContact N-O 2.8Å; E132-G284 PolarHBondContact O-N 2.79Å
285A98.9Very high97.1Very high1 Ų115.8 Ų15.81%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-138.2148.1175.300000111.1R13 S14 L31 V35 G130 Q131 C385R13-A285 CarbonylContact C-O 3.58Å; R13-A285 WeakPolarHBondContact CA-O 3.01Å; R13-A285 WeakPolarHBondContact CB-O 3.28Å; S14-A285 PolarHBondContact N-O 2.75Å; S14-A285 PolarHBondContact OG-N 2.88Å; S14-A285 PolarHBondContact OG-O 2.74Å; L31-A285 HydrophobicContact CB-CB 4Å; V35-A285 HydrophobicContact CG2-CB 3.95Å; G130-A285 CarbonylContact O-C 3.6Å; G130-A285 VanDerWaalsContact O-CA 3.29Å; G130-A285 WeakPolarHBondContact O-CA 3.33Å; Q131-A285 HydrophobicContact CB-CB 4.12Å; A285-C385 VanDerWaalsContact CA-SG 3.58Å
286A98.9Very high96.9Very high0 Ų012.8 Ų12.80%08%0.077CC..EExtended strand (participates in β ladder)trans-144.1126.5175.500000108.9L12 R13 G129 G130 C385 A388 R389 V392L12-A286 CarbonylContact O-C 3.51Å; L12-A286 WeakPolarHBondContact O-CA 3.26Å; R13-A286 HydrophobicContact CB-CB 3.89Å; G129-A286 CarbonylContact C-O 3.51Å; G129-A286 WeakPolarHBondContact CA-O 3.42Å; G130-A286 PolarHBondContact N-O 3.3Å; G130-A286 PolarHBondContact O-N 2.98Å; A286-C385 PolarHBondContact N-SG 2.9Å; A286-C385 VanDerWaalsContact N-SG 3.42Å; A286-A388 HydrophobicContact CB-CB 3.8Å; A286-A388 WeakPolarHBondContact O-CB 3.23Å; A286-R389 HydrophobicContact CB-CB 3.86Å; A286-V392 HydrophobicContact CB-CG2 4.2Å
287I98.9Very high96.6Very high0 Ų016.4 Ų16.40%010%0.1CC..EExtended strand (participates in β ladder)trans-132.9139.3-169.5-52.5-67.2000109.2A11 L12 V35 I36 V39 L66 I127A11-I287 WeakPolarHBondContact CA-O 3.4Å; L12-I287 PolarHBondContact N-O 3.43Å; L12-I287 PolarHBondContact O-N 2.79Å; L12-I287 VanDerWaalsContact O-O 3.11Å; V35-I287 HydrophobicContact CB-CB 4.46Å; V35-I287 HydrophobicContact CB-CG1 3.74Å; V35-I287 HydrophobicContact CG1-CB 3.8Å; V35-I287 HydrophobicContact CG1-CG1 3.57Å; I36-I287 HydrophobicContact CG1-CD1 3.97Å; I36-I287 HydrophobicContact CG1-CG1 3.98Å; I36-I287 HydrophobicContact CG1-CG2 3.89Å; V39-I287 HydrophobicContact CB-CG2 4.4Å; V39-I287 HydrophobicContact CG2-CB 3.92Å; V39-I287 HydrophobicContact CG2-CG2 4Å; V39-I287 WeakPolarHBondContact CG2-O 3.24Å; L66-I287 HydrophobicContact CD1-CD1 4.46Å; L66-I287 HydrophobicContact CD2-CD1 3.46Å; L66-I287 VanDerWaalsContact CD2-CD1 3.46Å; I127-I287 HydrophobicContact CG2-CG2 3.56Å
288L98.9Very high96.2Very high0 Ų021.6 Ų21.60%012%0.123CC..EExtended strand (participates in β ladder)trans-126.4138.5177.2-58.990.6000109I8 S10 A11 V108 A128 L290 A388 L391 V392I8-L288 HydrophobicContact CD1-CD2 3.98Å; I8-L288 HydrophobicContact CG1-CD2 4.35Å; I8-L288 HydrophobicContact CG2-CD2 3.98Å; S10-L288 CarbonylContact O-C 3.57Å; S10-L288 WeakPolarHBondContact O-CA 3.49Å; A11-L288 HydrophobicContact CB-CD2 3.96Å; A11-L288 HydrophobicContact CB-CG 3.93Å; V108-L288 HydrophobicContact CG2-CD1 3.92Å; A128-L288 PolarHBondContact N-O 2.88Å; A128-L288 WeakPolarHBondContact O-CA 3.48Å; A128-L288 PolarHBondContact O-N 3.25Å; A128-L288 VanDerWaalsContact O-O 3.08Å; L288-L290 HydrophobicContact CB-CD2 4.22Å; L288-A388 HydrophobicContact CD1-CB 3.93Å; L288-L391 HydrophobicContact CD2-CB 4.48Å; L288-L391 HydrophobicContact CD2-CD2 3.7Å; L288-L391 HydrophobicContact CD2-CG 3.85Å; L288-V392 HydrophobicContact CD1-CG2 4.01Å; L288-V392 HydrophobicContact CG-CG2 4.13Å
289L98.7Very high95.7Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-99.2120.1168.4-178.965.1000108.9V9 S10 V39 V43 I57 W125 I127V9-L289 HydrophobicContact CG2-CB 4Å; V9-L289 HydrophobicContact CG2-CD2 3.73Å; V9-L289 HydrophobicContact CG2-CG 3.74Å; V9-L289 WeakPolarHBondContact CG2-O 3.25Å; V9-L289 PolarHBondContact N-O 2.91Å; S10-L289 PolarHBondContact O-N 3.16Å; V39-L289 HydrophobicContact CG1-CB 3.5Å; V43-L289 HydrophobicContact CB-CD2 3.93Å; V43-L289 HydrophobicContact CG1-CD2 3.66Å; V43-L289 HydrophobicContact CG2-CD2 3.97Å; I57-L289 HydrophobicContact CD1-CD2 4.27Å; I57-L289 HydrophobicContact CG2-CD1 4.38Å; I57-L289 HydrophobicContact CG2-CD2 4.46Å; W125-L289 HydrophobicContact CE3-CD1 3.85Å; W125-L289 HydrophobicContact CE3-CD2 3.97Å; W125-L289 HydrophobicContact CE3-CG 3.83Å; W125-L289 HydrophobicContact CZ3-CD1 4.43Å; W125-L289 HydrophobicContact CZ3-CD2 3.74Å; W125-L289 HydrophobicContact CZ3-CG 3.91Å; I127-L289 HydrophobicContact CG1-CD1 3.66Å
290L98.5Very high95.2Very high0 Ų023.5 Ų23.50%015%0.145CC..EExtended strand (participates in β ladder)trans-104.5146179.4-48.3-176.6000109.8V6 F7 I8 V108 L115 W125 V126 A128 L288 I308V6-L290 HydrophobicContact CG1-CB 4.3Å; F7-L290 CarbonylContact O-C 3.54Å; F7-L290 VanDerWaalsContact O-CA 3.23Å; F7-L290 WeakPolarHBondContact O-CA 3.23Å; I8-L290 HydrophobicContact CB-CD2 4.38Å; I8-L290 HydrophobicContact CG1-CD2 3.61Å; V108-L290 HydrophobicContact CG1-CD1 4.13Å; V108-L290 HydrophobicContact CG1-CD2 4.38Å; L115-L290 HydrophobicContact CD1-CB 3.62Å; W125-L290 WeakPolarHBondContact CA-O 3.31Å; V126-L290 PolarHBondContact N-O 2.57Å; V126-L290 PolarHBondContact O-N 2.9Å; A128-L290 HydrophobicContact CB-CD1 4.08Å; L288-L290 HydrophobicContact CB-CD2 4.22Å; L290-I308 HydrophobicContact CD1-CD1 4.41Å; L290-I308 HydrophobicContact CD2-CD1 4.08Å
291C96.2Very high94.5Very high0 Ų028 Ų280%018%0.175CC..EExtended strand (participates in β ladder)trans-140155.9167.776.10000113.1V6 F7 V9 G124 W125 Q295V6-C291 WeakPolarHBondContact CA-O 3.43Å; F7-C291 PolarHBondContact N-O 3.32Å; F7-C291 PolarHBondContact O-N 3.01Å; V9-C291 VanDerWaalsContact CG1-SG 3.5Å; G124-C291 CarbonylContact O-C 3.5Å; G124-C291 WeakPolarHBondContact O-CA 3.24Å; G124-C291 WeakPolarHBondContact O-CB 3.4Å; W125-C291 HydrophobicContact CD2-CB 3.73Å; W125-C291 HydrophobicContact CE3-CB 3.5Å; W125-C291 HydrophobicContact CH2-CB 3.75Å; W125-C291 HydrophobicContact CZ2-CB 3.96Å; W125-C291 HydrophobicContact CZ3-CB 3.53Å; C291-Q295 HydrophobicContact CB-CB 4.05Å
292R94.7Very high93.9Very high48 Ų4828.7 Ų28.718%0.18117%0.173CC..EExtended strand (participates in β ladder)trans-75.1150.4170.2-170.3173.866.2-163.91.4110.1L115 G124 D294 Q295L115-R292 HydrophobicContact CD2-CB 4.42Å; L115-R292 WeakPolarHBondContact O-CD 3.31Å; G124-R292 PolarHBondContact O-N 3.33Å; R292-D294 VanDerWaalsContact CB-OD1 3.23Å; R292-D294 WeakPolarHBondContact CB-OD1 3.49Å; R292-D294 WeakPolarHBondContact CG-OD1 3.42Å; R292-D294 IonicContact CZ-OD1 3.7Å; R292-D294 IonicContact CZ-OD2 3.95Å; R292-D294 VanDerWaalsContact NE-CG 3.26Å; R292-D294 IonicContact NE-OD1 2.79Å; R292-D294 PolarHBondContact NE-OD1 2.88Å; R292-D294 IonicContact NE-OD2 3.66Å; R292-D294 PolarHBondContact NE-OD2 3.45Å; R292-D294 IonicContact NH2-OD1 3.74Å; R292-D294 IonicContact NH2-OD2 2.75Å; R292-D294 PolarHBondContact NH2-OD2 3.3Å; R292-D294 PolarHBondContact O-N 3.41Å; R292-D294 VanDerWaalsContact O-N 3.13Å; R292-Q295 WeakPolarHBondContact O-CB 3.39Å; R292-Q295 PolarHBondContact O-N 3.31Å
293G93Very high93.5Very high7 Ų735.9 Ų35.97%0.07220%0.2CC..G310 helixtrans-57.1-28.8-173.600000115.6G3 G5 F7 Q295 L296G3-G293 CarbonylContact O-C 3.5Å; G3-G293 WeakPolarHBondContact O-CA 3.11Å; G5-G293 PolarHBondContact O-N 2.89Å; F7-G293 VanDerWaalsContact CE2-CA 3.48Å; G293-Q295 VanDerWaalsContact C-N 3.28Å; G293-Q295 PolarHBondContact O-N 3.15Å; G293-L296 WeakPolarHBondContact O-CB 3.49Å; G293-L296 PolarHBondContact O-N 2.96Å
294D91.1Very high93.3Very high66 Ų6636.2 Ų36.235%0.35320%0.202SC..G310 helixtrans-68-26.1174.564.5-32.2000113.1G3 R292 L296 S297G3-D294 PolarHBondContact O-N 3.13Å; R292-D294 VanDerWaalsContact CB-OD1 3.23Å; R292-D294 WeakPolarHBondContact CB-OD1 3.49Å; R292-D294 WeakPolarHBondContact CG-OD1 3.42Å; R292-D294 IonicContact CZ-OD1 3.7Å; R292-D294 IonicContact CZ-OD2 3.95Å; R292-D294 VanDerWaalsContact NE-CG 3.26Å; R292-D294 IonicContact NE-OD1 2.79Å; R292-D294 PolarHBondContact NE-OD1 2.88Å; R292-D294 IonicContact NE-OD2 3.66Å; R292-D294 PolarHBondContact NE-OD2 3.45Å; R292-D294 IonicContact NH2-OD1 3.74Å; R292-D294 IonicContact NH2-OD2 2.75Å; R292-D294 PolarHBondContact NH2-OD2 3.3Å; R292-D294 PolarHBondContact O-N 3.41Å; R292-D294 VanDerWaalsContact O-N 3.13Å; D294-L296 VanDerWaalsContact C-N 3.34Å; D294-S297 PolarHBondContact O-OG 3.25Å
295Q92.5Very high93.1Very high18 Ų1837.6 Ų37.68%0.08421%0.209CC..G310 helixtrans-79.1-14.7177-61-60.1-51.400113.4H56 G123 W125 C291 R292 G293 S297 K298H56-Q295 PolarHBondContact NE2-OE1 3.08Å; G123-Q295 PolarHBondContact O-NE2 3.49Å; W125-Q295 HydrophobicContact CZ2-CB 3.82Å; C291-Q295 HydrophobicContact CB-CB 4.05Å; R292-Q295 WeakPolarHBondContact O-CB 3.39Å; R292-Q295 PolarHBondContact O-N 3.31Å; G293-Q295 VanDerWaalsContact C-N 3.28Å; G293-Q295 PolarHBondContact O-N 3.15Å; Q295-S297 PolarHBondContact O-N 3.27Å; Q295-K298 VanDerWaalsContact O-CB 3.3Å; Q295-K298 WeakPolarHBondContact O-CB 3.5Å; Q295-K298 PolarHBondContact O-N 2.84Å
296L92.4Very high93.1Very high23 Ų2337.5 Ų37.512%0.1221%0.209CC..G310 helixtrans-58.6-32.5-178.8-71.1177000112.9M1 F7 V9 G293 D294 K298 L299 P304M1-L296 HydrophobicContact SD-CD1 3.81Å; F7-L296 HydrophobicContact CB-CD2 4.02Å; F7-L296 HydrophobicContact CD1-CD1 4.02Å; F7-L296 HydrophobicContact CD2-CD1 3.73Å; F7-L296 HydrophobicContact CD2-CD2 4.33Å; F7-L296 HydrophobicContact CD2-CG 4.14Å; F7-L296 HydrophobicContact CE1-CD1 3.96Å; F7-L296 HydrophobicContact CE2-CD1 3.7Å; F7-L296 HydrophobicContact CG-CD1 3.9Å; F7-L296 HydrophobicContact CG-CD2 4.05Å; F7-L296 HydrophobicContact CG-CG 4.32Å; F7-L296 HydrophobicContact CZ-CD1 3.81Å; V9-L296 HydrophobicContact CG1-CD2 4.3Å; G293-L296 WeakPolarHBondContact O-CB 3.49Å; G293-L296 PolarHBondContact O-N 2.96Å; D294-L296 VanDerWaalsContact C-N 3.34Å; L296-K298 PolarHBondContact O-N 3.06Å; L296-K298 VanDerWaalsContact O-N 3.15Å; L296-L299 HydrophobicContact CD2-CD1 3.82Å; L296-L299 WeakPolarHBondContact O-CB 3.3Å; L296-L299 PolarHBondContact O-N 3.23Å; L296-P304 HydrophobicContact CD2-CB 4.02Å; L296-P304 HydrophobicContact CD2-CG 3.96Å
297S90.2Very high93Very high91 Ų9140.6 Ų40.664%0.63622%0.22SC*.G310 helixtrans-58.9-25.9177.262.90000113.4D294 Q295 L299D294-S297 PolarHBondContact O-OG 3.25Å; Q295-S297 PolarHBondContact O-N 3.27Å; S297-L299 VanDerWaalsContact C-N 3.28Å; S297-L299 PolarHBondContact O-N 3.45Å
298K90.7Very high93Very high108 Ų10840.6 Ų40.647%0.4722%0.22SC..G310 helixtrans-74-19.3179.4-55.5-63.5-176.6172.40112.9L53 Q295 L296 G300L53-K298 HydrophobicContact CD1-CB 4.22Å; L53-K298 WeakPolarHBondContact CD1-O 3.49Å; Q295-K298 VanDerWaalsContact O-CB 3.3Å; Q295-K298 WeakPolarHBondContact O-CB 3.5Å; Q295-K298 PolarHBondContact O-N 2.84Å; L296-K298 PolarHBondContact O-N 3.06Å; L296-K298 VanDerWaalsContact O-N 3.15Å; K298-G300 PolarHBondContact O-N 2.7Å
299L87.4Confident93Very high5 Ų542 Ų423%0.02623%0.229CC..G310 helixtrans-75.3-7.2179.5-64.2175.5000113.7V9 V43 L53 W125 L296 S297 S301 R302V9-L299 HydrophobicContact CB-CD1 4.15Å; V9-L299 HydrophobicContact CG1-CD1 3.6Å; V43-L299 HydrophobicContact CG2-CD2 3.82Å; L53-L299 HydrophobicContact CD2-CD2 4.39Å; W125-L299 HydrophobicContact CH2-CD2 3.81Å; W125-L299 HydrophobicContact CH2-CG 4.35Å; L296-L299 HydrophobicContact CD2-CD1 3.82Å; L296-L299 WeakPolarHBondContact O-CB 3.3Å; L296-L299 PolarHBondContact O-N 3.23Å; S297-L299 VanDerWaalsContact C-N 3.28Å; S297-L299 PolarHBondContact O-N 3.45Å; L299-S301 PolarHBondContact O-N 3.31Å; L299-R302 HydrophobicContact CB-CB 4.24Å; L299-R302 WeakPolarHBondContact O-CB 3.31Å; L299-R302 PolarHBondContact O-N 2.65Å
300G86.2Confident92.9Very high66 Ų6642.1 Ų42.168%0.6823%0.23SC*.THydrogen-bonded Turntrans65-123.2-176.400000111.6K298 R302K298-G300 PolarHBondContact O-N 2.7Å; G300-R302 VanDerWaalsContact C-N 3.34Å
301S83Confident93Very high110 Ų11043.5 Ų43.577%0.76924%0.235SC*.THydrogen-bonded Turntrans-81.6-11.5179.2560000113.9L299 R303L299-S301 PolarHBondContact O-N 3.31Å; S301-R303 PolarHBondContact O-N 2.89Å
302R86.5Confident93.1Very high59 Ų5946.3 Ų46.322%0.22325%0.248CC..PPolyproline II helixtrans-71.2125.7-178.4-179-174.2-175.5113-5.1110.3V9 N42 V43 L299 G300V9-R302 PolarHBondContact O-NE 3.23Å; V9-R302 PolarHBondContact O-NH2 3.18Å; V9-R302 VanDerWaalsContact O-NH2 3.11Å; N42-R302 VanDerWaalsContact O-CZ 3.3Å; N42-R302 PolarHBondContact O-NH1 2.96Å; N42-R302 PolarHBondContact O-NH2 3.28Å; N42-R302 PolarHBondContact OD1-NH2 2.63Å; V43-R302 WeakPolarHBondContact O-CD 3.35Å; V43-R302 PolarHBondContact O-NH1 3.08Å; L299-R302 HydrophobicContact CB-CB 4.24Å; L299-R302 WeakPolarHBondContact O-CB 3.31Å; L299-R302 PolarHBondContact O-N 2.65Å; G300-R302 VanDerWaalsContact C-N 3.34Å
303R89.4Confident93.3Very high152 Ų15247.5 Ų47.557%0.57426%0.256SS*.PPolyproline II helixtrans-84.5146.9174.2-63.5-175176.2-147.6-3.7111.2S301 V441S301-R303 PolarHBondContact O-N 2.89Å; R303-V441 PolarHBondContact NH1-OXT 3.36Å
304P94.7Very high93.5Very high7 Ų748.3 Ų48.35%0.04526%0.261CS..PPolyproline II helixtrans-63.4151.6168.228.3-34.4000111.1F7 I8 V9 L296 C440F7-P304 HydrophobicContact CB-CB 3.94Å; F7-P304 HydrophobicContact CD1-CB 4.09Å; F7-P304 HydrophobicContact CD1-CG 3.89Å; F7-P304 HydrophobicContact CG-CB 4.41Å; I8-P304 CarbonylContact O-C 3.57Å; V9-P304 HydrophobicContact CG1-CB 4.23Å; L296-P304 HydrophobicContact CD2-CB 4.02Å; L296-P304 HydrophobicContact CD2-CG 3.96Å; P304-C440 HydrophobicContact CG-CB 3.87Å
305L95.4Very high93.9Very high28 Ų2848 Ų4815%0.14727%0.274CS..SBendtrans-70.7-39.3176-64.6176.2000111.7I8 A11 V395 Q399I8-L305 HydrophobicContact CG2-CB 4.36Å; I8-L305 HydrophobicContact CG2-CD1 4.26Å; I8-L305 WeakPolarHBondContact O-CB 3.22Å; I8-L305 PolarHBondContact O-N 2.76Å; A11-L305 HydrophobicContact CB-CD1 3.81Å; L305-V395 HydrophobicContact CB-CB 4.43Å; L305-V395 HydrophobicContact CD1-CG2 4.25Å; L305-Q399 HydrophobicContact CD2-CG 4.27Å; L305-Q399 PolarHBondContact O-NE2 3.34Å
306A97.5Very high94.1Very high0 Ų048.3 Ų48.30%028%0.276CS..EExtended strand (participates in β ladder)trans-162.6158.6177.600000111.3F7 I8 V395 V437 E438F7-A306 CarbonylContact C-O 3.53Å; F7-A306 WeakPolarHBondContact CA-O 3.4Å; I8-A306 PolarHBondContact N-O 2.87Å; I8-A306 PolarHBondContact O-N 2.89Å; A306-V395 HydrophobicContact CB-CB 4.47Å; A306-V395 HydrophobicContact CB-CG1 3.84Å; A306-V437 HydrophobicContact CB-CB 4.06Å; A306-E438 CarbonylContact C-O 3.55Å; A306-E438 VanDerWaalsContact CA-O 3.24Å; A306-E438 WeakPolarHBondContact CA-O 3.19Å; A306-E438 WeakPolarHBondContact CB-O 3.3Å
307R97.7Very high94.4Very high64 Ų6453 Ų5324%0.24230%0.297CS..EExtended strand (participates in β ladder)trans-95.4134.5165.2-173-179.968.180.2-10.6108.8F7 V437 E438F7-R307 HydrophobicContact CD1-CB 3.83Å; F7-R307 HydrophobicContact CD1-CG 4.03Å; F7-R307 HydrophobicContact CE1-CB 3.71Å; F7-R307 HydrophobicContact CE1-CG 3.67Å; F7-R307 HydrophobicContact CZ-CG 3.99Å; R307-V437 CarbonylContact O-C 3.48Å; R307-V437 VanDerWaalsContact O-CA 3.26Å; R307-V437 WeakPolarHBondContact O-CA 3.42Å; R307-E438 HydrophobicContact CB-CG 4.2Å; R307-E438 IonicContact CZ-OE1 2.96Å; R307-E438 PolarHBondContact N-O 3.38Å; R307-E438 IonicContact NE-OE1 3.53Å; R307-E438 PolarHBondContact NE-OE1 3.48Å; R307-E438 IonicContact NH2-OE1 3.43Å; R307-E438 PolarHBondContact NH2-OE1 3.45Å; R307-E438 IonicContact NH2-OE2 3.86Å; R307-E438 PolarHBondContact NH2-OE2 2.74Å; R307-E438 PolarHBondContact O-N 3.25Å
308I98.6Very high94.7Very high1 Ų150.2 Ų50.21%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-79.8124.3169.9-57.1175.4000108V6 I8 V108 F112 L290 I435 V437V6-I308 HydrophobicContact CG1-CD1 4.23Å; V6-I308 PolarHBondContact O-N 2.8Å; I8-I308 HydrophobicContact CD1-CD1 4.27Å; I8-I308 HydrophobicContact CD1-CG1 4Å; I8-I308 HydrophobicContact CG1-CD1 4.04Å; I8-I308 HydrophobicContact CG1-CG1 3.99Å; V108-I308 HydrophobicContact CG1-CD1 3.95Å; F112-I308 HydrophobicContact CB-CD1 4.32Å; F112-I308 HydrophobicContact CB-CG2 4.44Å; F112-I308 HydrophobicContact CD2-CB 3.68Å; F112-I308 HydrophobicContact CD2-CD1 4.37Å; F112-I308 HydrophobicContact CD2-CG2 3.37Å; F112-I308 HydrophobicContact CE2-CB 4.08Å; F112-I308 HydrophobicContact CE2-CG2 3.77Å; F112-I308 HydrophobicContact CG-CG2 3.98Å; L290-I308 HydrophobicContact CD1-CD1 4.41Å; L290-I308 HydrophobicContact CD2-CD1 4.08Å; I308-I435 HydrophobicContact CD1-CD1 4.33Å; I308-I435 HydrophobicContact CG2-CD1 3.84Å; I308-I435 HydrophobicContact CG2-CG1 3.97Å; I308-V437 HydrophobicContact CG1-CG1 4.18Å
309V98Very high95Very high29 Ų2950.3 Ų50.318%0.17628%0.279CS..EExtended strand (participates in β ladder)trans-91-38.1-177.2-173.20000111I336 W338 A436 E438V309-I336 HydrophobicContact CG1-CB 4.04Å; V309-I336 HydrophobicContact CG1-CD1 4.07Å; V309-I336 HydrophobicContact CG1-CG2 4.18Å; V309-W338 HydrophobicContact CB-CH2 4.4Å; V309-W338 HydrophobicContact CB-CZ2 4.23Å; V309-W338 HydrophobicContact CG1-CZ2 4.06Å; V309-W338 HydrophobicContact CG2-CH2 3.79Å; V309-W338 HydrophobicContact CG2-CZ2 3.66Å; V309-A436 HydrophobicContact CB-CB 4.16Å; V309-A436 PolarHBondContact N-O 3.31Å; V309-E438 HydrophobicContact CG2-CB 4.22Å; V309-E438 HydrophobicContact CG2-CG 3.83Å
310G98.4Very high95.5Very high2 Ų252.1 Ų52.12%0.02129%0.289CS..EExtended strand (participates in β ladder)trans168.4175.7176.400000111.1L332 A436G310-L332 WeakPolarHBondContact O-CD1 3.32Å; G310-A436 PolarHBondContact O-N 3.33Å
311W98.8Very high96Very high29 Ų2949.3 Ų49.311%0.1126%0.258CS..EExtended strand (participates in β ladder)trans-142159.7177.968.5-90.7000110.4K106 C109 F112 D113 Q313 K335 A434 I435K106-W311 VanDerWaalsContact NZ-CH2 3.28Å; C109-W311 HydrophobicContact CB-CB 4.38Å; C109-W311 HydrophobicContact CB-CD2 3.65Å; C109-W311 HydrophobicContact CB-CE3 4.15Å; C109-W311 HydrophobicContact CB-CG 3.72Å; C109-W311 VanDerWaalsContact SG-CB 3.57Å; C109-W311 VanDerWaalsContact SG-CG 3.58Å; F112-W311 AromaticContact CD1-CD1 3.49Å; F112-W311 VanDerWaalsContact CD1-CD1 3.49Å; F112-W311 AromaticContact CD1-NE1 3.69Å; F112-W311 AromaticContact CE1-CD1 3.95Å; D113-W311 PolarHBondContact OD1-NE1 2.95Å; D113-W311 WeakPolarHBondContact OD2-CZ2 3.17Å; D113-W311 PolarHBondContact OD2-NE1 2.91Å; W311-Q313 HydrophobicContact CZ3-CB 4.13Å; W311-Q313 HydrophobicContact CZ3-CG 3.83Å; W311-Q313 VanDerWaalsContact CZ3-OE1 3.27Å; W311-K335 PolarHBondContact O-NZ 2.81Å; W311-A434 CarbonylContact C-O 3.55Å; W311-A434 VanDerWaalsContact CA-O 3.25Å; W311-A434 WeakPolarHBondContact CA-O 3.41Å; W311-A434 WeakPolarHBondContact CB-O 3.43Å; W311-I435 HydrophobicContact CB-CB 4.29Å; W311-I435 HydrophobicContact CB-CG1 4.11Å
312H98.8Very high96.7Very high60 Ų6044.1 Ų44.128%0.27822%0.222SC..EExtended strand (participates in β ladder)trans-147.7153.1174.3-169.868.2000110.9G331 L332 I433 A434H312-G331 VanDerWaalsContact CD2-CA 3.47Å; H312-G331 WeakPolarHBondContact CD2-CA 3.23Å; H312-L332 HydrophobicContact CB-CB 3.77Å; H312-I433 WeakPolarHBondContact O-CA 3.29Å; H312-A434 PolarHBondContact N-O 2.88Å; H312-A434 PolarHBondContact O-N 3.47Å
313Q98.6Very high97.3Very high73 Ų7341.8 Ų41.834%0.34121%0.213SC..EExtended strand (participates in β ladder)trans-136.4149174.369.5-175.854.200109.3W311 G432 I433W311-Q313 HydrophobicContact CZ3-CB 4.13Å; W311-Q313 HydrophobicContact CZ3-CG 3.83Å; W311-Q313 VanDerWaalsContact CZ3-OE1 3.27Å; Q313-G432 CarbonylContact C-O 3.59Å; Q313-G432 WeakPolarHBondContact CA-O 3.39Å; Q313-G432 WeakPolarHBondContact CB-O 3.37Å; Q313-I433 HydrophobicContact CB-CB 4.31Å; Q313-I433 HydrophobicContact CB-CG1 4.25Å
314A98.4Very high97.7Very high23 Ų2334.5 Ų34.519%0.1919%0.186CC..EExtended strand (participates in β ladder)trans-139.7152-178.500000111M431 G432A314-M431 CarbonylContact O-C 3.56Å; A314-M431 VanDerWaalsContact O-CA 3.23Å; A314-M431 WeakPolarHBondContact O-CA 3.3Å; A314-G432 PolarHBondContact N-O 2.92Å; A314-G432 PolarHBondContact O-N 3.34Å
315G98.1Very high97.9Very high59 Ų5934.2 Ų34.261%0.60818%0.184SC*.EExtended strand (participates in β ladder)trans-104.1153.6170.800000111.4G430G315-G430 CarbonylContact C-O 3.6Å; G315-G430 WeakPolarHBondContact CA-O 3.4Å
316L98Very high98.1Very high26 Ų2633.1 Ų33.114%0.13618%0.178CC..  trans-156.3178.2177.768.4164.1000109.9L320 L323 G324 Y327 G430L316-L320 VanDerWaalsContact CD1-O 3.24Å; L316-L320 WeakPolarHBondContact CD1-O 3.5Å; L316-L323 HydrophobicContact CD1-CB 3.84Å; L316-G324 VanDerWaalsContact CD2-CA 3.5Å; L316-Y327 HydrophobicContact CB-CD2 4.32Å; L316-Y327 HydrophobicContact CB-CE2 4.14Å; L316-Y327 HydrophobicContact CD1-CD2 4.03Å; L316-Y327 HydrophobicContact CD1-CE2 3.74Å; L316-G430 VanDerWaalsContact CD2-C 3.45Å; L316-G430 PolarHBondContact N-O 3.19Å; L316-G430 CarbonylContact O-C 3.5Å; L316-G430 VanDerWaalsContact O-CA 3.29Å; L316-G430 WeakPolarHBondContact O-CA 3.44Å
317E97.7Very high98.1Very high120 Ų12037.9 Ų37.956%0.56120%0.197SC*.  trans-60.7130.4177.5-63.477.3-169.600111.5E319 L320 M321E317-E319 VanDerWaalsContact C-N 3.25Å; E317-E319 PolarHBondContact O-N 2.88Å; E317-L320 CarbonylContact O-C 3.5Å; E317-L320 PolarHBondContact O-N 3.37Å; E317-M321 PolarHBondContact O-N 3.26Å
318P97.4Very high98.2Very high33 Ų3334.9 Ų34.921%0.21419%0.186CC..G310 helixtrans-55.9-35.4-179.5-2834.8000114.4F179 L320 M321F179-P318 HydrophobicContact CB-CB 4.13Å; F179-P318 HydrophobicContact CB-CG 3.9Å; F179-P318 HydrophobicContact CD2-CB 4.09Å; F179-P318 HydrophobicContact CD2-CG 3.72Å; F179-P318 HydrophobicContact CG-CB 4.48Å; F179-P318 HydrophobicContact CG-CG 3.96Å; P318-L320 PolarHBondContact O-N 2.82Å; P318-M321 VanDerWaalsContact O-CB 3.28Å; P318-M321 WeakPolarHBondContact O-CB 3.42Å; P318-M321 VanDerWaalsContact O-CG 3.29Å; P318-M321 WeakPolarHBondContact O-CG 3.35Å; P318-M321 PolarHBondContact O-N 3.43Å
319E97Very high98.2Very high111 Ų11134.8 Ų34.852%0.51919%0.185SC..G310 helixtrans-63.4-22.4178.2-67.2179-167.900114.2C180 N190 E317C180-E319 HydrophobicContact CB-CG 3.71Å; N190-E319 PolarHBondContact ND2-O 2.84Å; E317-E319 VanDerWaalsContact C-N 3.25Å; E317-E319 PolarHBondContact O-N 2.88Å
320L97.5Very high98.2Very high43 Ų4338.6 Ų38.623%0.22520%0.196CC..G310 helixtrans-117.119.4179.7-66.1175.7000111.7N190 V191 L316 E317 P318 G322 L323N190-L320 HydrophobicContact CB-CD2 4.28Å; V191-L320 HydrophobicContact CG2-CD2 4.23Å; L316-L320 VanDerWaalsContact CD1-O 3.24Å; L316-L320 WeakPolarHBondContact CD1-O 3.5Å; E317-L320 CarbonylContact O-C 3.5Å; E317-L320 PolarHBondContact O-N 3.37Å; P318-L320 PolarHBondContact O-N 2.82Å; L320-G322 PolarHBondContact O-N 3.22Å; L320-L323 HydrophobicContact CB-CD1 4.09Å; L320-L323 HydrophobicContact CD1-CD1 4.45Å; L320-L323 HydrophobicContact CD2-CD1 4.48Å; L320-L323 WeakPolarHBondContact O-CB 3.21Å; L320-L323 WeakPolarHBondContact O-CG 3.44Å; L320-L323 PolarHBondContact O-N 2.93Å
321M97.3Very high98.2Very high6 Ų639.4 Ų39.43%0.0321%0.205CC..G310 helixtrans-52.7-27.2-173.967101.9-17600114.4M184 T187 E317 P318 L323 G324 C426M184-M321 HydrophobicContact CB-CE 4.07Å; M184-M321 HydrophobicContact CE-CE 4.41Å; M184-M321 HydrophobicContact CG-CE 4.18Å; M184-M321 HydrophobicContact SD-CE 3.28Å; M184-M321 WeakPolarHBondContact SD-CE 3.38Å; M184-M321 HydrophobicContact SD-SD 4.34Å; T187-M321 HydrophobicContact CG2-CG 4.49Å; T187-M321 WeakPolarHBondContact OG1-CE 3.28Å; E317-M321 PolarHBondContact O-N 3.26Å; P318-M321 VanDerWaalsContact O-CB 3.28Å; P318-M321 WeakPolarHBondContact O-CB 3.42Å; P318-M321 VanDerWaalsContact O-CG 3.29Å; P318-M321 WeakPolarHBondContact O-CG 3.35Å; P318-M321 PolarHBondContact O-N 3.43Å; M321-L323 PolarHBondContact O-N 3.2Å; M321-L323 VanDerWaalsContact O-N 3.08Å; M321-G324 PolarHBondContact O-N 3.3Å; M321-C426 VanDerWaalsContact O-CB 3.28Å; M321-C426 WeakPolarHBondContact O-CB 3.15Å; M321-C426 HydrophobicContact SD-CB 4.37Å
322G97.3Very high98.2Very high1 Ų138 Ų381%0.0120%0.2CC..G310 helixtrans-55.9-22.5172.600000114.4L320 G324 P325L320-G322 PolarHBondContact O-N 3.22Å; G322-G324 VanDerWaalsContact C-N 3.34Å; G322-P325 WeakPolarHBondContact O-CD 3.12Å
323L98.6Very high98.2Very high10 Ų1035.6 Ų35.65%0.05219%0.189CC..G310 helixtrans-83.6-5.2176.4-56.3179.8000113.7V191 F195 L316 L320 M321 P325 I326 Y327 A358V191-L323 HydrophobicContact CG1-CD2 3.87Å; V191-L323 HydrophobicContact CG2-CD2 4.26Å; V191-L323 HydrophobicContact CG2-CG 4.15Å; F195-L323 HydrophobicContact CD2-CD2 4.37Å; F195-L323 HydrophobicContact CE2-CD1 3.73Å; F195-L323 HydrophobicContact CE2-CD2 3.59Å; F195-L323 HydrophobicContact CE2-CG 4.31Å; F195-L323 HydrophobicContact CZ-CD1 4.29Å; F195-L323 HydrophobicContact CZ-CD2 4.02Å; L316-L323 HydrophobicContact CD1-CB 3.84Å; L320-L323 HydrophobicContact CB-CD1 4.09Å; L320-L323 HydrophobicContact CD1-CD1 4.45Å; L320-L323 HydrophobicContact CD2-CD1 4.48Å; L320-L323 WeakPolarHBondContact O-CB 3.21Å; L320-L323 WeakPolarHBondContact O-CG 3.44Å; L320-L323 PolarHBondContact O-N 2.93Å; M321-L323 PolarHBondContact O-N 3.2Å; M321-L323 VanDerWaalsContact O-N 3.08Å; L323-P325 VanDerWaalsContact C-N 3.31Å; L323-I326 HydrophobicContact CB-CD1 4.02Å; L323-I326 HydrophobicContact CD2-CD1 3.79Å; L323-I326 HydrophobicContact CG-CD1 4.44Å; L323-I326 VanDerWaalsContact O-CB 3.27Å; L323-I326 WeakPolarHBondContact O-CB 3.31Å; L323-I326 WeakPolarHBondContact O-CG1 3.18Å; L323-I326 PolarHBondContact O-N 3.2Å; L323-Y327 HydrophobicContact CB-CE2 4.34Å; L323-A358 HydrophobicContact CD2-CB 3.82Å
324G98.5Very high98.2Very high0 Ų037 Ų370%021%0.207CC..Hα-helixtrans-48.2-41.8-178.900000115.4L316 M321 G322 I326 Y327 A328L316-G324 VanDerWaalsContact CD2-CA 3.5Å; M321-G324 PolarHBondContact O-N 3.3Å; G322-G324 VanDerWaalsContact C-N 3.34Å; G324-I326 PolarHBondContact O-N 2.77Å; G324-Y327 PolarHBondContact O-N 3.17Å; G324-A328 PolarHBondContact O-N 3.42Å
325P98.7Very high98.2Very high0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-54.8-32.2175-31.839.6000114.5G322 L323 Y327 A328 I329 I359 A424 L425 C426G322-P325 WeakPolarHBondContact O-CD 3.12Å; L323-P325 VanDerWaalsContact C-N 3.31Å; P325-Y327 PolarHBondContact O-N 2.84Å; P325-A328 PolarHBondContact O-N 2.92Å; P325-I329 HydrophobicContact CB-CD1 4.37Å; P325-I329 VanDerWaalsContact O-CB 3.24Å; P325-I329 WeakPolarHBondContact O-CB 3.29Å; P325-I329 WeakPolarHBondContact O-CD1 3.5Å; P325-I329 WeakPolarHBondContact O-CG1 3.47Å; P325-I329 PolarHBondContact O-N 3.36Å; P325-I359 HydrophobicContact CB-CD1 3.73Å; P325-I359 HydrophobicContact CB-CG1 4.19Å; P325-I359 HydrophobicContact CB-CG2 4.24Å; P325-I359 HydrophobicContact CG-CD1 3.6Å; P325-I359 HydrophobicContact CG-CG1 4.45Å; P325-A424 HydrophobicContact CB-CB 4.18Å; P325-L425 VanDerWaalsContact CG-C 3.43Å; P325-C426 HydrophobicContact CG-CB 4.33Å
326I98.7Very high98.2Very high5 Ų540.9 Ų40.93%0.02620%0.204CC..Hα-helixtrans-61-49.8-179.6-60170.1000109.7L323 G324 R330 I359 E362 L363L323-I326 HydrophobicContact CB-CD1 4.02Å; L323-I326 HydrophobicContact CD2-CD1 3.79Å; L323-I326 HydrophobicContact CG-CD1 4.44Å; L323-I326 VanDerWaalsContact O-CB 3.27Å; L323-I326 WeakPolarHBondContact O-CB 3.31Å; L323-I326 WeakPolarHBondContact O-CG1 3.18Å; L323-I326 PolarHBondContact O-N 3.2Å; G324-I326 PolarHBondContact O-N 2.77Å; I326-R330 WeakPolarHBondContact O-CB 3.37Å; I326-R330 VanDerWaalsContact O-CG 3.28Å; I326-R330 WeakPolarHBondContact O-CG 3.38Å; I326-R330 PolarHBondContact O-N 2.92Å; I326-I359 HydrophobicContact CD1-CG1 4.17Å; I326-I359 HydrophobicContact CG1-CB 4.17Å; I326-I359 HydrophobicContact CG1-CG1 3.86Å; I326-I359 HydrophobicContact CG1-CG2 4.08Å; I326-E362 HydrophobicContact CD1-CB 3.86Å; I326-E362 HydrophobicContact CD1-CG 3.85Å; I326-E362 HydrophobicContact CG1-CB 4.48Å; I326-E362 HydrophobicContact CG1-CG 4.41Å; I326-E362 HydrophobicContact CG2-CG 3.75Å; I326-L363 HydrophobicContact CG1-CG 4.47Å; I326-L363 HydrophobicContact CG2-CD2 3.97Å; I326-L363 HydrophobicContact CG2-CG 4.41Å
327Y98.6Very high98.2Very high101 Ų10142.8 Ų42.840%0.39623%0.23SC..Hα-helixtrans-69.8-41.9179.4-57.3-77.9000111.6L316 L323 G324 P325 G331L316-Y327 HydrophobicContact CB-CD2 4.32Å; L316-Y327 HydrophobicContact CB-CE2 4.14Å; L316-Y327 HydrophobicContact CD1-CD2 4.03Å; L316-Y327 HydrophobicContact CD1-CE2 3.74Å; L323-Y327 HydrophobicContact CB-CE2 4.34Å; G324-Y327 PolarHBondContact O-N 3.17Å; P325-Y327 PolarHBondContact O-N 2.84Å; Y327-G331 PolarHBondContact O-N 3.36Å
328A98.8Very high98.2Very high0 Ų038.5 Ų38.50%021%0.208CC..Hα-helixtrans-62.9-44.7178.700000112.3G324 P325 L332 A434G324-A328 PolarHBondContact O-N 3.42Å; P325-A328 PolarHBondContact O-N 2.92Å; A328-L332 WeakPolarHBondContact O-CB 3.39Å; A328-L332 PolarHBondContact O-N 3.18Å; A328-A434 HydrophobicContact CB-CB 3.88Å
329I98.9Very high98.3Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-67.4-48178.5-67.2168.1000110.4P325 G331 L332 L333 M340 F346 I348 L363 V422 A424 A434P325-I329 HydrophobicContact CB-CD1 4.37Å; P325-I329 VanDerWaalsContact O-CB 3.24Å; P325-I329 WeakPolarHBondContact O-CB 3.29Å; P325-I329 WeakPolarHBondContact O-CD1 3.5Å; P325-I329 WeakPolarHBondContact O-CG1 3.47Å; P325-I329 PolarHBondContact O-N 3.36Å; I329-G331 VanDerWaalsContact C-N 3.35Å; I329-G331 PolarHBondContact O-N 2.7Å; I329-L332 WeakPolarHBondContact O-CB 3.3Å; I329-L332 PolarHBondContact O-N 2.9Å; I329-L333 HydrophobicContact CG2-CD1 3.97Å; I329-L333 HydrophobicContact CG2-CG 4.1Å; I329-L333 WeakPolarHBondContact O-CG 3.28Å; I329-L333 PolarHBondContact O-N 3.03Å; I329-M340 HydrophobicContact CG2-SD 3.88Å; I329-F346 HydrophobicContact CD1-CD1 4.49Å; I329-F346 HydrophobicContact CG2-CE1 4.37Å; I329-I348 HydrophobicContact CD1-CD1 4.31Å; I329-L363 HydrophobicContact CB-CD1 4.03Å; I329-L363 HydrophobicContact CD1-CD1 3.59Å; I329-L363 HydrophobicContact CG1-CD1 4.4Å; I329-L363 HydrophobicContact CG2-CD1 4.03Å; I329-V422 HydrophobicContact CD1-CG1 4.43Å; I329-V422 HydrophobicContact CG1-CG1 3.99Å; I329-A424 HydrophobicContact CD1-CB 3.77Å; I329-A424 HydrophobicContact CG1-CB 3.79Å; I329-A434 HydrophobicContact CG1-CB 4.03Å
330R98.6Very high98.3Very high108 Ų10840.7 Ų40.741%0.40821%0.214SC..Hα-helixtrans-57.2-47.9178.3-76.6174174.3166.1-0.4111.6I326 S334 E362 L363I326-R330 WeakPolarHBondContact O-CB 3.37Å; I326-R330 VanDerWaalsContact O-CG 3.28Å; I326-R330 WeakPolarHBondContact O-CG 3.38Å; I326-R330 PolarHBondContact O-N 2.92Å; R330-S334 WeakPolarHBondContact O-CB 3.24Å; R330-S334 PolarHBondContact O-N 2.86Å; R330-E362 IonicContact CZ-OE1 2.75Å; R330-E362 IonicContact NH1-OE1 3.08Å; R330-E362 PolarHBondContact NH1-OE1 2.85Å; R330-E362 PolarHBondContact NH2-O 3.03Å; R330-E362 VanDerWaalsContact NH2-O 3.17Å; R330-E362 IonicContact NH2-OE1 3.31Å; R330-E362 PolarHBondContact NH2-OE1 3.29Å; R330-L363 HydrophobicContact CG-CD2 3.95Å
331G98.7Very high98.3Very high20 Ų2045.5 Ų45.521%0.20624%0.236CC..Hα-helixtrans-65.8-38177.600000113H312 Y327 I329 K335H312-G331 VanDerWaalsContact CD2-CA 3.47Å; H312-G331 WeakPolarHBondContact CD2-CA 3.23Å; Y327-G331 PolarHBondContact O-N 3.36Å; I329-G331 VanDerWaalsContact C-N 3.35Å; I329-G331 PolarHBondContact O-N 2.7Å; G331-K335 VanDerWaalsContact O-CB 3.24Å; G331-K335 WeakPolarHBondContact O-CB 3.38Å; G331-K335 PolarHBondContact O-N 3.29Å
332L98.8Very high98.2Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-61.1-54.7174.2172.558.5000112G310 H312 A328 I329 S334 K335 I336 V422 A434 A436G310-L332 WeakPolarHBondContact O-CD1 3.32Å; H312-L332 HydrophobicContact CB-CB 3.77Å; A328-L332 WeakPolarHBondContact O-CB 3.39Å; A328-L332 PolarHBondContact O-N 3.18Å; I329-L332 WeakPolarHBondContact O-CB 3.3Å; I329-L332 PolarHBondContact O-N 2.9Å; L332-S334 VanDerWaalsContact C-N 3.31Å; L332-S334 PolarHBondContact O-N 2.8Å; L332-K335 WeakPolarHBondContact O-CB 3.32Å; L332-K335 PolarHBondContact O-N 2.7Å; L332-K335 VanDerWaalsContact O-N 3.08Å; L332-I336 HydrophobicContact CD1-CD1 4.12Å; L332-I336 HydrophobicContact CD1-CG2 4.02Å; L332-I336 HydrophobicContact CG-CD1 4.25Å; L332-I336 WeakPolarHBondContact O-CG1 3.15Å; L332-I336 PolarHBondContact O-N 2.88Å; L332-V422 HydrophobicContact CD2-CG1 4.2Å; L332-A434 HydrophobicContact CB-CB 4.36Å; L332-A434 HydrophobicContact CD2-CB 3.64Å; L332-A436 HydrophobicContact CD1-CB 4.1Å; L332-A436 HydrophobicContact CD2-CB 3.89Å; L332-A436 HydrophobicContact CG-CB 4.2Å
333L98.7Very high98.3Very high9 Ų947 Ų475%0.04725%0.246CC..Hα-helixtrans-64.3-38.9-176.3-61.8-174.1000111.4I329 K335 I336 G337 W338 M340 V343 V422I329-L333 HydrophobicContact CG2-CD1 3.97Å; I329-L333 HydrophobicContact CG2-CG 4.1Å; I329-L333 WeakPolarHBondContact O-CG 3.28Å; I329-L333 PolarHBondContact O-N 3.03Å; L333-K335 VanDerWaalsContact C-N 3.34Å; L333-K335 PolarHBondContact O-N 2.84Å; L333-I336 HydrophobicContact CD2-CD1 4.36Å; L333-I336 PolarHBondContact O-N 2.97Å; L333-G337 PolarHBondContact O-N 3.34Å; L333-W338 HydrophobicContact CB-CB 4.43Å; L333-W338 HydrophobicContact CD2-CB 3.81Å; L333-W338 HydrophobicContact CD2-CE3 4.13Å; L333-W338 PolarHBondContact O-N 2.85Å; L333-M340 HydrophobicContact CD1-CG 3.96Å; L333-M340 HydrophobicContact CD1-SD 3.29Å; L333-M340 WeakPolarHBondContact CD1-SD 3.42Å; L333-V343 HydrophobicContact CD2-CG2 4.08Å; L333-V422 HydrophobicContact CD2-CG2 4.09Å
334S98.5Very high98.2Very high102 Ų10248.4 Ų48.471%0.71325%0.254SS*.Hα-helixtrans-60.1-42.8171.8-174.10000112.1R330 L332R330-S334 WeakPolarHBondContact O-CB 3.24Å; R330-S334 PolarHBondContact O-N 2.86Å; L332-S334 VanDerWaalsContact C-N 3.31Å; L332-S334 PolarHBondContact O-N 2.8Å
335K98.3Very high98.2Very high127 Ų12748.5 Ų48.555%0.55225%0.254SS*.Hα-helixtrans-65.7-38.3-179.3178.7-177.8172.7-176.20112.6W311 G331 L332 L333W311-K335 PolarHBondContact O-NZ 2.81Å; G331-K335 VanDerWaalsContact O-CB 3.24Å; G331-K335 WeakPolarHBondContact O-CB 3.38Å; G331-K335 PolarHBondContact O-N 3.29Å; L332-K335 WeakPolarHBondContact O-CB 3.32Å; L332-K335 PolarHBondContact O-N 2.7Å; L332-K335 VanDerWaalsContact O-N 3.08Å; L333-K335 VanDerWaalsContact C-N 3.34Å; L333-K335 PolarHBondContact O-N 2.84Å
336I98Very high98.2Very high37 Ų3748.6 Ų48.619%0.1926%0.255CS..Hα-helixtrans-98.4-0.7-175.971.9-176.1000113.8V309 L332 L333 W338 A436V309-I336 HydrophobicContact CG1-CB 4.04Å; V309-I336 HydrophobicContact CG1-CD1 4.07Å; V309-I336 HydrophobicContact CG1-CG2 4.18Å; L332-I336 HydrophobicContact CD1-CD1 4.12Å; L332-I336 HydrophobicContact CD1-CG2 4.02Å; L332-I336 HydrophobicContact CG-CD1 4.25Å; L332-I336 WeakPolarHBondContact O-CG1 3.15Å; L332-I336 PolarHBondContact O-N 2.88Å; L333-I336 HydrophobicContact CD2-CD1 4.36Å; L333-I336 PolarHBondContact O-N 2.97Å; I336-W338 HydrophobicContact CD1-CB 4.12Å; I336-W338 HydrophobicContact CD1-CD2 3.49Å; I336-W338 VanDerWaalsContact CD1-CD2 3.49Å; I336-W338 HydrophobicContact CD1-CE3 3.6Å; I336-W338 HydrophobicContact CD1-CG 3.73Å; I336-W338 HydrophobicContact CD1-CZ3 4.18Å; I336-W338 HydrophobicContact CG1-CB 3.91Å; I336-W338 HydrophobicContact CG1-CD2 4.06Å; I336-W338 HydrophobicContact CG1-CG 3.74Å; I336-A436 HydrophobicContact CD1-CB 3.41Å; I336-A436 VanDerWaalsContact CD1-CB 3.41Å
337G98Very high98.2Very high66 Ų6648.4 Ų48.468%0.6825%0.254SS*.THydrogen-bonded Turntrans7126.9179.400000114.4L333L333-G337 PolarHBondContact O-N 3.34Å
338W98.3Very high98.2Very high29 Ų2943.6 Ų43.611%0.1124%0.235CC..  trans-93.7157.1175.2-7710.8000111.4V309 L333 I336 V343 R420 A436 E438V309-W338 HydrophobicContact CB-CH2 4.4Å; V309-W338 HydrophobicContact CB-CZ2 4.23Å; V309-W338 HydrophobicContact CG1-CZ2 4.06Å; V309-W338 HydrophobicContact CG2-CH2 3.79Å; V309-W338 HydrophobicContact CG2-CZ2 3.66Å; L333-W338 HydrophobicContact CB-CB 4.43Å; L333-W338 HydrophobicContact CD2-CB 3.81Å; L333-W338 HydrophobicContact CD2-CE3 4.13Å; L333-W338 PolarHBondContact O-N 2.85Å; I336-W338 HydrophobicContact CD1-CB 4.12Å; I336-W338 HydrophobicContact CD1-CD2 3.49Å; I336-W338 VanDerWaalsContact CD1-CD2 3.49Å; I336-W338 HydrophobicContact CD1-CE3 3.6Å; I336-W338 HydrophobicContact CD1-CG 3.73Å; I336-W338 HydrophobicContact CD1-CZ3 4.18Å; I336-W338 HydrophobicContact CG1-CB 3.91Å; I336-W338 HydrophobicContact CG1-CD2 4.06Å; I336-W338 HydrophobicContact CG1-CG 3.74Å; W338-V343 HydrophobicContact CE3-CG2 4.17Å; W338-R420 HydrophobicContact CE3-CB 4.32Å; W338-R420 HydrophobicContact CH2-CB 3.63Å; W338-R420 HydrophobicContact CH2-CG 3.51Å; W338-R420 HydrophobicContact CZ2-CB 4.25Å; W338-R420 HydrophobicContact CZ2-CG 3.64Å; W338-R420 HydrophobicContact CZ3-CB 3.67Å; W338-R420 HydrophobicContact CZ3-CG 4Å; W338-A436 HydrophobicContact CE3-CB 4.23Å; W338-A436 HydrophobicContact CH2-CB 4.2Å; W338-A436 HydrophobicContact CZ3-CB 3.74Å; W338-E438 HydrophobicContact CH2-CB 4.19Å; W338-E438 HydrophobicContact CZ2-CB 4.33Å
339K97.8Very high98.2Very high150 Ų15043.6 Ų43.665%0.65224%0.235SC*.  trans-108.5152.7171.2-59.1-176.1177.3-1790110.1E341 S342K339-E341 WeakPolarHBondContact CB-OE2 3.2Å; K339-E341 PolarHBondContact O-N 2.8Å; K339-S342 PolarHBondContact N-OG 3.4Å; K339-S342 WeakPolarHBondContact O-CB 3.21Å; K339-S342 PolarHBondContact O-N 3.36Å; K339-S342 PolarHBondContact O-OG 3.11Å
340M97.8Very high98.2Very high41 Ų4143.7 Ų43.720%0.20224%0.235CC..G310 helixtrans-53.5-41.3178.5-79.2-59.3-5300112I329 L333 S342 V343 F346 L363 I365I329-M340 HydrophobicContact CG2-SD 3.88Å; L333-M340 HydrophobicContact CD1-CG 3.96Å; L333-M340 HydrophobicContact CD1-SD 3.29Å; L333-M340 WeakPolarHBondContact CD1-SD 3.42Å; M340-S342 PolarHBondContact O-N 2.9Å; M340-V343 PolarHBondContact O-N 2.75Å; M340-F346 HydrophobicContact CE-CE1 3.8Å; M340-F346 HydrophobicContact CE-CE2 4.1Å; M340-F346 HydrophobicContact CE-CZ 3.32Å; M340-F346 HydrophobicContact SD-CE1 4.48Å; M340-F346 HydrophobicContact SD-CZ 4.23Å; M340-L363 HydrophobicContact CE-CB 3.86Å; M340-L363 WeakPolarHBondContact CE-O 3.37Å; M340-I365 HydrophobicContact CE-CD1 4.24Å; M340-I365 HydrophobicContact CE-CG1 3.64Å
341E96.8Very high98.2Very high144 Ų14438.9 Ų38.967%0.67322%0.218SC*.G310 helixtrans-68.1-24.3-177-54.873.9-157.300112.3K339 V343 K369K339-E341 WeakPolarHBondContact CB-OE2 3.2Å; K339-E341 PolarHBondContact O-N 2.8Å; E341-V343 VanDerWaalsContact C-N 3.32Å; E341-K369 PolarHBondContact O-NZ 2.75Å
342S96.2Very high98.2Very high37 Ų3738.7 Ų38.726%0.25921%0.212SC..G310 helixtrans-82.6-6.8-17876.40000114.1K339 M340 R420K339-S342 PolarHBondContact N-OG 3.4Å; K339-S342 WeakPolarHBondContact O-CB 3.21Å; K339-S342 PolarHBondContact O-N 3.36Å; K339-S342 PolarHBondContact O-OG 3.11Å; M340-S342 PolarHBondContact O-N 2.9Å; S342-R420 WeakPolarHBondContact O-CD 3.47Å; S342-R420 PolarHBondContact OG-NH1 3.42Å
343V98.4Very high98.2Very high0 Ų038.7 Ų38.70%021%0.212CC..  trans-87128.1174.6-177.10000108.7L333 W338 M340 E341 V345 F346 K369 V422L333-V343 HydrophobicContact CD2-CG2 4.08Å; W338-V343 HydrophobicContact CE3-CG2 4.17Å; M340-V343 PolarHBondContact O-N 2.75Å; E341-V343 VanDerWaalsContact C-N 3.32Å; V343-V345 WeakPolarHBondContact CG1-O 3.23Å; V343-F346 HydrophobicContact CB-CD2 4.46Å; V343-F346 HydrophobicContact CB-CE1 4.19Å; V343-F346 HydrophobicContact CB-CE2 3.56Å; V343-F346 HydrophobicContact CB-CZ 3.39Å; V343-F346 HydrophobicContact CG1-CD1 4.26Å; V343-F346 HydrophobicContact CG1-CD2 3.93Å; V343-F346 HydrophobicContact CG1-CE1 3.86Å; V343-F346 HydrophobicContact CG1-CE2 3.5Å; V343-F346 VanDerWaalsContact CG1-CE2 3.5Å; V343-F346 HydrophobicContact CG1-CG 4.3Å; V343-F346 HydrophobicContact CG1-CZ 3.45Å; V343-F346 VanDerWaalsContact CG1-CZ 3.45Å; V343-F346 HydrophobicContact CG2-CE1 4.34Å; V343-F346 HydrophobicContact CG2-CE2 4.45Å; V343-F346 HydrophobicContact CG2-CZ 3.79Å; V343-K369 WeakPolarHBondContact O-CD 3.37Å; V343-K369 PolarHBondContact O-NZ 2.86Å; V343-V422 HydrophobicContact CG1-CB 4.22Å; V343-V422 HydrophobicContact CG1-CG2 3.87Å; V343-V422 HydrophobicContact CG2-CG2 3.93Å
344D97.8Very high98.2Very high41 Ų4138.2 Ų38.222%0.21921%0.21CC..  trans-82.5-41.3-179.9-62.4-83.9000111.6K369 R419 R420D344-K369 WeakPolarHBondContact O-CB 3.44Å; D344-K369 VanDerWaalsContact O-CG 3.3Å; D344-K369 WeakPolarHBondContact O-CG 3.41Å; D344-R419 IonicContact OD1-NH1 3.84Å; D344-R419 PolarHBondContact OD1-NH1 3.3Å; D344-R419 VanDerWaalsContact OD1-NH1 3.08Å; D344-R419 VanDerWaalsContact OD2-CA 3.32Å; D344-R419 WeakPolarHBondContact OD2-CA 3.42Å; D344-R420 WeakPolarHBondContact CB-O 3.5Å; D344-R420 PolarHBondContact N-O 3.46Å; D344-R420 PolarHBondContact OD2-N 3.31Å
345V98.5Very high98.2Very high1 Ų133.5 Ų33.51%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-136.3133.3-174.9-175.60000111.5V343 K369 I372 L394 T397 L398 L401 R420 G421 V422V343-V345 WeakPolarHBondContact CG1-O 3.23Å; V345-K369 CarbonylContact C-O 3.59Å; V345-K369 WeakPolarHBondContact CA-O 3.47Å; V345-I372 HydrophobicContact CG2-CD1 4.44Å; V345-L394 HydrophobicContact CB-CD1 3.8Å; V345-L394 HydrophobicContact CG1-CD1 3.63Å; V345-T397 HydrophobicContact CG1-CG2 4.18Å; V345-T397 HydrophobicContact CG2-CG2 4.19Å; V345-L398 HydrophobicContact CB-CD2 4.04Å; V345-L398 HydrophobicContact CG2-CD2 3.86Å; V345-L401 HydrophobicContact CG2-CD1 3.47Å; V345-L401 VanDerWaalsContact CG2-CD1 3.47Å; V345-R420 PolarHBondContact N-O 2.94Å; V345-G421 CarbonylContact O-C 3.46Å; V345-G421 VanDerWaalsContact O-CA 3.24Å; V345-G421 WeakPolarHBondContact O-CA 3.45Å; V345-V422 PolarHBondContact O-N 3.47Å
346F98.8Very high98.2Very high3 Ų327.4 Ų27.41%0.01315%0.15CC..EExtended strand (participates in β ladder)trans-111.8121.8170.1-68.4-90.9000109.4I329 M340 V343 I365 K369 L370 N371 V422I329-F346 HydrophobicContact CD1-CD1 4.49Å; I329-F346 HydrophobicContact CG2-CE1 4.37Å; M340-F346 HydrophobicContact CE-CE1 3.8Å; M340-F346 HydrophobicContact CE-CE2 4.1Å; M340-F346 HydrophobicContact CE-CZ 3.32Å; M340-F346 HydrophobicContact SD-CE1 4.48Å; M340-F346 HydrophobicContact SD-CZ 4.23Å; V343-F346 HydrophobicContact CB-CD2 4.46Å; V343-F346 HydrophobicContact CB-CE1 4.19Å; V343-F346 HydrophobicContact CB-CE2 3.56Å; V343-F346 HydrophobicContact CB-CZ 3.39Å; V343-F346 HydrophobicContact CG1-CD1 4.26Å; V343-F346 HydrophobicContact CG1-CD2 3.93Å; V343-F346 HydrophobicContact CG1-CE1 3.86Å; V343-F346 HydrophobicContact CG1-CE2 3.5Å; V343-F346 VanDerWaalsContact CG1-CE2 3.5Å; V343-F346 HydrophobicContact CG1-CG 4.3Å; V343-F346 HydrophobicContact CG1-CZ 3.45Å; V343-F346 VanDerWaalsContact CG1-CZ 3.45Å; V343-F346 HydrophobicContact CG2-CE1 4.34Å; V343-F346 HydrophobicContact CG2-CE2 4.45Å; V343-F346 HydrophobicContact CG2-CZ 3.79Å; F346-I365 HydrophobicContact CB-CD1 4.47Å; F346-I365 HydrophobicContact CB-CG2 4.34Å; F346-I365 HydrophobicContact CD1-CD1 3.94Å; F346-I365 HydrophobicContact CD2-CD1 4.34Å; F346-I365 HydrophobicContact CD2-CG1 4.27Å; F346-I365 HydrophobicContact CD2-CG2 3.69Å; F346-I365 HydrophobicContact CE1-CD1 4.23Å; F346-I365 HydrophobicContact CE2-CG1 4.25Å; F346-I365 HydrophobicContact CE2-CG2 4.24Å; F346-I365 HydrophobicContact CG-CD1 3.99Å; F346-I365 HydrophobicContact CG-CG1 4.43Å; F346-I365 HydrophobicContact CG-CG2 4.13Å; F346-I365 HydrophobicContact CZ-CG1 4.4Å; F346-K369 HydrophobicContact CD2-CB 4.36Å; F346-K369 PolarHBondContact N-O 3.47Å; F346-L370 HydrophobicContact CB-CD1 4.13Å; F346-N371 PolarHBondContact O-N 3.29Å; F346-N371 PolarHBondContact O-OD1 2.87Å; F346-V422 CarbonylContact C-O 3.45Å; F346-V422 WeakPolarHBondContact CA-O 3.41Å; F346-V422 HydrophobicContact CD1-CB 3.82Å; F346-V422 HydrophobicContact CD1-CG1 4.2Å; F346-V422 HydrophobicContact CE1-CB 3.91Å; F346-V422 HydrophobicContact CE1-CG1 4.32Å; F346-V422 HydrophobicContact CE1-CG2 4.22Å
347E98.8Very high98.2Very high0 Ų026.7 Ų26.70%015%0.146CC..EExtended strand (participates in β ladder)trans-103.999.9166-79-72.4142.800108.5N371 R389 I390 L394 V422 A423 A424E347-N371 VanDerWaalsContact CA-OD1 3.28Å; E347-N371 WeakPolarHBondContact CA-OD1 3.23Å; E347-R389 IonicContact OE2-NH1 3.18Å; E347-I390 HydrophobicContact CB-CB 3.97Å; E347-I390 HydrophobicContact CB-CG2 4.37Å; E347-L394 HydrophobicContact CB-CB 4.23Å; E347-L394 HydrophobicContact CB-CD1 4.48Å; E347-L394 HydrophobicContact CG-CB 3.81Å; E347-L394 HydrophobicContact CG-CD1 4.02Å; E347-L394 HydrophobicContact CG-CG 4.48Å; E347-V422 PolarHBondContact N-O 2.67Å; E347-A423 HydrophobicContact CB-CB 4.46Å; E347-A423 CarbonylContact O-C 3.57Å; E347-A423 VanDerWaalsContact O-CA 3.26Å; E347-A423 WeakPolarHBondContact O-CA 3.33Å; E347-A424 PolarHBondContact O-N 2.82Å
348I98.8Very high98.2Very high1 Ų123.6 Ų23.61%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-105.4127177.5-65.4170.4000108.7I329 E350 I359 I365 L370 N371 A424I329-I348 HydrophobicContact CD1-CD1 4.31Å; I348-E350 PolarHBondContact O-N 3.48Å; I348-E350 VanDerWaalsContact O-N 3.12Å; I348-I359 HydrophobicContact CD1-CG2 3.63Å; I348-I359 HydrophobicContact CG2-CD1 3.93Å; I348-I365 HydrophobicContact CD1-CD1 3.7Å; I348-L370 HydrophobicContact CB-CD1 3.96Å; I348-L370 HydrophobicContact CD1-CD1 3.74Å; I348-L370 HydrophobicContact CG1-CD1 3.98Å; I348-N371 PolarHBondContact N-OD1 3.27Å; I348-N371 PolarHBondContact O-ND2 3.05Å; I348-N371 PolarHBondContact O-OD1 2.97Å; I348-A424 VanDerWaalsContact CA-O 3.32Å; I348-A424 WeakPolarHBondContact CA-O 3.3Å; I348-A424 HydrophobicContact CG1-CB 4.5Å
349N98.6Very high98.2Very high0 Ų022.2 Ų22.20%011%0.109CC..  trans-61.3117.7178.9-175.758.2000111.7A351 Q355 A376 H381 I390 A424 L425N349-A351 VanDerWaalsContact C-N 3.3Å; N349-A351 PolarHBondContact O-N 2.85Å; N349-Q355 PolarHBondContact O-NE2 3.5Å; N349-A376 WeakPolarHBondContact OD1-CB 3.26Å; N349-H381 PolarHBondContact ND2-CE1 3.22Å; N349-H381 PolarHBondContact ND2-ND1 2.89Å; N349-I390 HydrophobicContact CB-CG2 4.43Å; N349-A424 PolarHBondContact N-O 3.16Å; N349-L425 HydrophobicContact CB-CB 3.61Å
350E98.3Very high98.3Very high2 Ų215.9 Ų15.91%0.0098%0.084CC..  trans-83.764.2179.9-51.9177.9172.800112.4F205 S209 S279 I348 F352 C356 N371 G375 A376 I377F205-E350 HydrophobicContact CE1-CG 4.04Å; F205-E350 HydrophobicContact CZ-CG 4.27Å; S209-E350 VanDerWaalsContact CB-OE2 3.3Å; S209-E350 WeakPolarHBondContact CB-OE2 3.47Å; S209-E350 PolarHBondContact OG-OE2 3.22Å; S279-E350 WeakPolarHBondContact CB-O 3.25Å; I348-E350 PolarHBondContact O-N 3.48Å; I348-E350 VanDerWaalsContact O-N 3.12Å; E350-F352 VanDerWaalsContact C-N 3.27Å; E350-F352 PolarHBondContact O-N 3.15Å; E350-C356 VanDerWaalsContact CA-SG 3.54Å; E350-N371 WeakPolarHBondContact CG-ND2 3.48Å; E350-N371 WeakPolarHBondContact OE1-CB 3.38Å; E350-N371 PolarHBondContact OE1-ND2 3.44Å; E350-G375 VanDerWaalsContact OE2-CA 3.31Å; E350-G375 WeakPolarHBondContact OE2-CA 3.47Å; E350-G375 PolarHBondContact OE2-N 2.79Å; E350-A376 HydrophobicContact CB-CB 4.18Å; E350-I377 HydrophobicContact CB-CD1 4.09Å; E350-I377 HydrophobicContact CB-CG1 3.84Å; E350-I377 PolarHBondContact OE2-N 3.17Å
351A98.2Very high98.3Very high6 Ų618.4 Ų18.45%0.0510%0.103CC..SBendtrans-60.3-42.4173.600000111S279 N349S279-A351 PolarHBondContact N-O 3.38Å; S279-A351 PolarHBondContact OG-O 3.09Å; N349-A351 VanDerWaalsContact C-N 3.3Å; N349-A351 PolarHBondContact O-N 2.85Å
352F98.5Very high98.4Very high16 Ų1615.4 Ų15.47%0.079%0.088CC..BIsolated β-bridgetrans-143.6149.4175.2-58.2-81.7000110.1M184 G185 A188 F264 V273 A278 E350 S354 Q355M184-F352 HydrophobicContact CB-CE2 3.85Å; M184-F352 HydrophobicContact CB-CZ 3.96Å; G185-F352 VanDerWaalsContact CA-CZ 3.45Å; G185-F352 VanDerWaalsContact N-CZ 3.34Å; A188-F352 HydrophobicContact CB-CB 3.66Å; A188-F352 HydrophobicContact CB-CD1 3.94Å; A188-F352 HydrophobicContact CB-CD2 3.61Å; A188-F352 HydrophobicContact CB-CE2 4.26Å; A188-F352 HydrophobicContact CB-CG 3.43Å; A188-F352 VanDerWaalsContact CB-CG 3.43Å; F264-F352 HydrophobicContact CE2-CE1 4.15Å; F264-F352 HydrophobicContact CZ-CE1 4.45Å; V273-F352 HydrophobicContact CG1-CD1 3.57Å; V273-F352 HydrophobicContact CG1-CE1 3.93Å; A278-F352 HydrophobicContact CB-CD1 3.51Å; A278-F352 HydrophobicContact CB-CE1 3.61Å; E350-F352 VanDerWaalsContact C-N 3.27Å; E350-F352 PolarHBondContact O-N 3.15Å; F352-S354 PolarHBondContact O-N 3.04Å; F352-Q355 WeakPolarHBondContact O-CG 3.44Å
353A98.7Very high98.5Very high0 Ų014 Ų140%08%0.078CC..Hα-helixtrans-63.3-41.9178.100000112.2Q202 F205 N277 Q355 C356 I357 I377Q202-A353 HydrophobicContact CB-CB 3.83Å; Q202-A353 HydrophobicContact CG-CB 4.08Å; Q202-A353 WeakPolarHBondContact O-CB 3.32Å; F205-A353 HydrophobicContact CB-CB 4.14Å; F205-A353 HydrophobicContact CD1-CB 3.88Å; F205-A353 HydrophobicContact CG-CB 4.26Å; N277-A353 HydrophobicContact CB-CB 4.04Å; N277-A353 WeakPolarHBondContact O-CB 3.39Å; N277-A353 PolarHBondContact O-N 3.02Å; A353-Q355 VanDerWaalsContact C-N 3.32Å; A353-Q355 PolarHBondContact O-N 3.17Å; A353-C356 PolarHBondContact O-N 3.43Å; A353-C356 VanDerWaalsContact O-N 3.08Å; A353-I357 WeakPolarHBondContact O-CG1 3.4Å; A353-I357 PolarHBondContact O-N 3.38Å; A353-I377 HydrophobicContact CB-CD1 3.98Å
354S98.4Very high98.4Very high0 Ų019.2 Ų19.20%011%0.113CC..Hα-helixtrans-56.6-43.6-178.661.40000112.7A188 I197 F352 C356 A358A188-S354 PolarHBondContact O-OG 3.18Å; I197-S354 WeakPolarHBondContact CD1-O 3.41Å; F352-S354 PolarHBondContact O-N 3.04Å; S354-C356 VanDerWaalsContact C-N 3.34Å; S354-C356 PolarHBondContact O-N 3.03Å; S354-A358 WeakPolarHBondContact O-CB 3.15Å; S354-A358 PolarHBondContact O-N 3.43Å
355Q98.3Very high98.5Very high2 Ų218 Ų181%0.00911%0.106CC..Hα-helixtrans-64.3-41.817892.617710.400111.4N349 F352 A353 A358 I359 C426N349-Q355 PolarHBondContact O-NE2 3.5Å; F352-Q355 WeakPolarHBondContact O-CG 3.44Å; A353-Q355 VanDerWaalsContact C-N 3.32Å; A353-Q355 PolarHBondContact O-N 3.17Å; Q355-A358 PolarHBondContact O-N 3.31Å; Q355-I359 HydrophobicContact CG-CD1 4.18Å; Q355-I359 WeakPolarHBondContact O-CB 3.42Å; Q355-I359 VanDerWaalsContact O-CD1 3.28Å; Q355-I359 WeakPolarHBondContact O-CD1 3.44Å; Q355-I359 WeakPolarHBondContact O-CG1 3.23Å; Q355-I359 PolarHBondContact O-N 3.05Å; Q355-C426 VanDerWaalsContact CD-SG 3.53Å; Q355-C426 PolarHBondContact NE2-SG 2.84Å; Q355-C426 PolarHBondContact OE1-SG 3.5Å
356C98.6Very high98.4Very high0 Ų022 Ų220%013%0.128CC..Hα-helixtrans-68.8-39.4-175.6-68.30000111.1F205 E350 A353 S354 A360F205-C356 HydrophobicContact CE1-CB 3.88Å; F205-C356 HydrophobicContact CE2-CB 3.85Å; F205-C356 HydrophobicContact CZ-CB 3.4Å; E350-C356 VanDerWaalsContact CA-SG 3.54Å; A353-C356 PolarHBondContact O-N 3.43Å; A353-C356 VanDerWaalsContact O-N 3.08Å; S354-C356 VanDerWaalsContact C-N 3.34Å; S354-C356 PolarHBondContact O-N 3.03Å; C356-A360 VanDerWaalsContact O-CB 3.25Å; C356-A360 WeakPolarHBondContact O-CB 3.43Å; C356-A360 PolarHBondContact O-N 2.96Å
357I98.7Very high98.2Very high21 Ų2125.8 Ų25.811%0.10815%0.152CC..Hα-helixtrans-60.8-51.7172.9-65.2162.5000109.5I197 E201 Q202 F205 A353 I359 A360 T361I197-I357 HydrophobicContact CD1-CB 4.02Å; I197-I357 HydrophobicContact CD1-CG2 3.86Å; I197-I357 HydrophobicContact CG1-CG2 4Å; I197-I357 HydrophobicContact CG2-CB 4.36Å; I197-I357 HydrophobicContact CG2-CD1 3.76Å; I197-I357 HydrophobicContact CG2-CG2 4.09Å; E201-I357 HydrophobicContact CB-CD1 4.2Å; Q202-I357 HydrophobicContact CG-CD1 4.17Å; F205-I357 HydrophobicContact CB-CD1 3.99Å; F205-I357 HydrophobicContact CB-CG1 4.22Å; F205-I357 HydrophobicContact CD2-CG1 3.81Å; F205-I357 HydrophobicContact CG-CD1 4.41Å; F205-I357 HydrophobicContact CG-CG1 4.17Å; A353-I357 WeakPolarHBondContact O-CG1 3.4Å; A353-I357 PolarHBondContact O-N 3.38Å; I357-I359 PolarHBondContact O-N 3.49Å; I357-A360 PolarHBondContact O-N 3.36Å; I357-T361 WeakPolarHBondContact O-CB 3.35Å; I357-T361 PolarHBondContact O-N 3.28Å; I357-T361 PolarHBondContact O-OG1 3.08Å
358A98.7Very high98.1Very high1 Ų131.9 Ų31.91%0.00818%0.181CC..Hα-helixtrans-56.8-46179.100000112.6V191 F195 I197 L323 S354 Q355 T361 E362V191-A358 HydrophobicContact CG1-CB 3.65Å; F195-A358 HydrophobicContact CB-CB 4.48Å; F195-A358 HydrophobicContact CD1-CB 4.12Å; F195-A358 HydrophobicContact CD2-CB 3.91Å; F195-A358 HydrophobicContact CE1-CB 4.34Å; F195-A358 HydrophobicContact CE2-CB 4.15Å; F195-A358 HydrophobicContact CG-CB 3.9Å; F195-A358 HydrophobicContact CZ-CB 4.35Å; I197-A358 HydrophobicContact CD1-CB 3.89Å; L323-A358 HydrophobicContact CD2-CB 3.82Å; S354-A358 WeakPolarHBondContact O-CB 3.15Å; S354-A358 PolarHBondContact O-N 3.43Å; Q355-A358 PolarHBondContact O-N 3.31Å; A358-T361 PolarHBondContact O-N 3.42Å; A358-E362 VanDerWaalsContact O-CB 3.26Å; A358-E362 WeakPolarHBondContact O-CB 3.22Å; A358-E362 PolarHBondContact O-N 3.07Å
359I98.6Very high98.1Very high0 Ų034.1 Ų34.10%019%0.191CC..Hα-helixtrans-63.4-47.2178.3-63.3156.4000110.9P325 I326 I348 Q355 I357 T361 E362 L363P325-I359 HydrophobicContact CB-CD1 3.73Å; P325-I359 HydrophobicContact CB-CG1 4.19Å; P325-I359 HydrophobicContact CB-CG2 4.24Å; P325-I359 HydrophobicContact CG-CD1 3.6Å; P325-I359 HydrophobicContact CG-CG1 4.45Å; I326-I359 HydrophobicContact CD1-CG1 4.17Å; I326-I359 HydrophobicContact CG1-CB 4.17Å; I326-I359 HydrophobicContact CG1-CG1 3.86Å; I326-I359 HydrophobicContact CG1-CG2 4.08Å; I348-I359 HydrophobicContact CD1-CG2 3.63Å; I348-I359 HydrophobicContact CG2-CD1 3.93Å; Q355-I359 HydrophobicContact CG-CD1 4.18Å; Q355-I359 WeakPolarHBondContact O-CB 3.42Å; Q355-I359 VanDerWaalsContact O-CD1 3.28Å; Q355-I359 WeakPolarHBondContact O-CD1 3.44Å; Q355-I359 WeakPolarHBondContact O-CG1 3.23Å; Q355-I359 PolarHBondContact O-N 3.05Å; I357-I359 PolarHBondContact O-N 3.49Å; I359-T361 VanDerWaalsContact C-N 3.33Å; I359-T361 PolarHBondContact O-N 2.84Å; I359-E362 PolarHBondContact O-N 3.31Å; I359-L363 HydrophobicContact CG2-CD1 3.8Å; I359-L363 HydrophobicContact CG2-CG 4.41Å; I359-L363 WeakPolarHBondContact O-CB 3.37Å; I359-L363 WeakPolarHBondContact O-CG 3.45Å; I359-L363 PolarHBondContact O-N 2.91Å
360A98.4Very high98.1Very high17 Ų1734.4 Ų34.414%0.1419%0.192CC..Hα-helixtrans-63.1-40.7-178.600000111.6C356 I357 C364 I365 L370C356-A360 VanDerWaalsContact O-CB 3.25Å; C356-A360 WeakPolarHBondContact O-CB 3.43Å; C356-A360 PolarHBondContact O-N 2.96Å; I357-A360 PolarHBondContact O-N 3.36Å; A360-C364 CarbonylContact O-C 3.54Å; A360-C364 WeakPolarHBondContact O-CA 3.44Å; A360-C364 PolarHBondContact O-N 3.47Å; A360-I365 HydrophobicContact CB-CB 4.4Å; A360-I365 PolarHBondContact O-N 2.98Å; A360-L370 HydrophobicContact CB-CD2 3.91Å
361T98.1Very high98.1Very high95 Ų9534.3 Ų34.358%0.58319%0.192SC*.Hα-helixtrans-65.7-51.2175.8-58.20000111.6I357 A358 I359 L363 C364I357-T361 WeakPolarHBondContact O-CB 3.35Å; I357-T361 PolarHBondContact O-N 3.28Å; I357-T361 PolarHBondContact O-OG1 3.08Å; A358-T361 PolarHBondContact O-N 3.42Å; I359-T361 VanDerWaalsContact C-N 3.33Å; I359-T361 PolarHBondContact O-N 2.84Å; T361-L363 VanDerWaalsContact C-N 3.28Å; T361-L363 PolarHBondContact O-N 2.83Å; T361-C364 PolarHBondContact O-N 2.74Å
362E98.1Very high98.1Very high80 Ų8036.2 Ų36.237%0.37420%0.2SC..Hα-helixtrans-67.3-27.6-175.7-178.360.7-159.100113.3F195 I326 R330 A358 I359F195-E362 HydrophobicContact CE1-CB 4.46Å; I326-E362 HydrophobicContact CD1-CB 3.86Å; I326-E362 HydrophobicContact CD1-CG 3.85Å; I326-E362 HydrophobicContact CG1-CB 4.48Å; I326-E362 HydrophobicContact CG1-CG 4.41Å; I326-E362 HydrophobicContact CG2-CG 3.75Å; R330-E362 IonicContact CZ-OE1 2.75Å; R330-E362 IonicContact NH1-OE1 3.08Å; R330-E362 PolarHBondContact NH1-OE1 2.85Å; R330-E362 PolarHBondContact NH2-O 3.03Å; R330-E362 VanDerWaalsContact NH2-O 3.17Å; R330-E362 IonicContact NH2-OE1 3.31Å; R330-E362 PolarHBondContact NH2-OE1 3.29Å; A358-E362 VanDerWaalsContact O-CB 3.26Å; A358-E362 WeakPolarHBondContact O-CB 3.22Å; A358-E362 PolarHBondContact O-N 3.07Å; I359-E362 PolarHBondContact O-N 3.31Å
363L98.4Very high98.1Very high9 Ų935.5 Ų35.55%0.04720%0.197CC..THydrogen-bonded Turntrans-99.30.6176.7-64.4-177.3000113.4I326 I329 R330 M340 I359 T361 I365I326-L363 HydrophobicContact CG1-CG 4.47Å; I326-L363 HydrophobicContact CG2-CD2 3.97Å; I326-L363 HydrophobicContact CG2-CG 4.41Å; I329-L363 HydrophobicContact CB-CD1 4.03Å; I329-L363 HydrophobicContact CD1-CD1 3.59Å; I329-L363 HydrophobicContact CG1-CD1 4.4Å; I329-L363 HydrophobicContact CG2-CD1 4.03Å; R330-L363 HydrophobicContact CG-CD2 3.95Å; M340-L363 HydrophobicContact CE-CB 3.86Å; M340-L363 WeakPolarHBondContact CE-O 3.37Å; I359-L363 HydrophobicContact CG2-CD1 3.8Å; I359-L363 HydrophobicContact CG2-CG 4.41Å; I359-L363 WeakPolarHBondContact O-CB 3.37Å; I359-L363 WeakPolarHBondContact O-CG 3.45Å; I359-L363 PolarHBondContact O-N 2.91Å; T361-L363 VanDerWaalsContact C-N 3.28Å; T361-L363 PolarHBondContact O-N 2.83Å; L363-I365 HydrophobicContact CB-CD1 3.96Å; L363-I365 HydrophobicContact CB-CG1 3.82Å; L363-I365 HydrophobicContact CD1-CD1 3.98Å; L363-I365 PolarHBondContact O-N 3.24Å
364C97.9Very high98Very high109 Ų10935.5 Ų35.574%0.73620%0.197SC*.THydrogen-bonded Turntrans52.739.1-174.8-57.50000113.2A360 T361 L366A360-C364 CarbonylContact O-C 3.54Å; A360-C364 WeakPolarHBondContact O-CA 3.44Å; A360-C364 PolarHBondContact O-N 3.47Å; T361-C364 PolarHBondContact O-N 2.74Å; C364-L366 PolarHBondContact O-N 3.48Å
365I98.3Very high98Very high14 Ų1435.5 Ų35.57%0.07220%0.197CC..  trans-76.3122.9178.4-60.8169.6000108.9M340 F346 I348 A360 L363 L370M340-I365 HydrophobicContact CE-CD1 4.24Å; M340-I365 HydrophobicContact CE-CG1 3.64Å; F346-I365 HydrophobicContact CB-CD1 4.47Å; F346-I365 HydrophobicContact CB-CG2 4.34Å; F346-I365 HydrophobicContact CD1-CD1 3.94Å; F346-I365 HydrophobicContact CD2-CD1 4.34Å; F346-I365 HydrophobicContact CD2-CG1 4.27Å; F346-I365 HydrophobicContact CD2-CG2 3.69Å; F346-I365 HydrophobicContact CE1-CD1 4.23Å; F346-I365 HydrophobicContact CE2-CG1 4.25Å; F346-I365 HydrophobicContact CE2-CG2 4.24Å; F346-I365 HydrophobicContact CG-CD1 3.99Å; F346-I365 HydrophobicContact CG-CG1 4.43Å; F346-I365 HydrophobicContact CG-CG2 4.13Å; F346-I365 HydrophobicContact CZ-CG1 4.4Å; I348-I365 HydrophobicContact CD1-CD1 3.7Å; A360-I365 HydrophobicContact CB-CB 4.4Å; A360-I365 PolarHBondContact O-N 2.98Å; L363-I365 HydrophobicContact CB-CD1 3.96Å; L363-I365 HydrophobicContact CB-CG1 3.82Å; L363-I365 HydrophobicContact CD1-CD1 3.98Å; L363-I365 PolarHBondContact O-N 3.24Å; I365-L370 HydrophobicContact CG2-CB 3.96Å
366L97.2Very high98Very high87 Ų8735.4 Ų35.446%0.45520%0.197SC..  trans-67.1136.8177.4-64.2173000111.4C364 E368 K369 L370C364-L366 PolarHBondContact O-N 3.48Å; L366-E368 HydrophobicContact CB-CG 4.4Å; L366-E368 WeakPolarHBondContact CD1-OE1 3.37Å; L366-E368 PolarHBondContact O-N 3.3Å; L366-E368 VanDerWaalsContact O-N 3.13Å; L366-K369 HydrophobicContact CB-CG 4.31Å; L366-K369 PolarHBondContact O-N 3.45Å; L366-L370 PolarHBondContact O-N 3.29Å
367P95.9Very high98Very high82 Ų8235.5 Ų35.553%0.53220%0.198SC..THydrogen-bonded Turntrans-56.5-30-177.2-27.835.5000115.3K212 K369K212-P367 PolarHBondContact NZ-O 2.7Å; K212-P367 VanDerWaalsContact NZ-O 3.14Å; P367-K369 VanDerWaalsContact C-N 3.27Å
368E96.6Very high98Very high127 Ų12734.5 Ų34.559%0.59319%0.192SC*.THydrogen-bonded Turntrans-77.2-9.517767.1-87.1-16100113.8L366 I372L366-E368 HydrophobicContact CB-CG 4.4Å; L366-E368 WeakPolarHBondContact CD1-OE1 3.37Å; L366-E368 PolarHBondContact O-N 3.3Å; L366-E368 VanDerWaalsContact O-N 3.13Å; E368-I372 WeakPolarHBondContact O-CG2 3.37Å
369K98.1Very high98Very high49 Ų4934.5 Ų34.521%0.21319%0.192CC..THydrogen-bonded Turntrans-102.8-12.6173.3-62.7-169.1169.4-1680112.9E341 V343 D344 V345 F346 L366 P367E341-K369 PolarHBondContact O-NZ 2.75Å; V343-K369 WeakPolarHBondContact O-CD 3.37Å; V343-K369 PolarHBondContact O-NZ 2.86Å; D344-K369 WeakPolarHBondContact O-CB 3.44Å; D344-K369 VanDerWaalsContact O-CG 3.3Å; D344-K369 WeakPolarHBondContact O-CG 3.41Å; V345-K369 CarbonylContact C-O 3.59Å; V345-K369 WeakPolarHBondContact CA-O 3.47Å; F346-K369 HydrophobicContact CD2-CB 4.36Å; F346-K369 PolarHBondContact N-O 3.47Å; L366-K369 HydrophobicContact CB-CG 4.31Å; L366-K369 PolarHBondContact O-N 3.45Å; P367-K369 VanDerWaalsContact C-N 3.27Å
370L98.6Very high98Very high6 Ų634.5 Ų34.53%0.03119%0.192CC..BIsolated β-bridgetrans-99.8123.8-174.3-179.960.2000112F205 K212 F346 I348 A360 I365 L366 I372F205-L370 HydrophobicContact CE2-CD2 4.32Å; K212-L370 PolarHBondContact NZ-O 2.99Å; F346-L370 HydrophobicContact CB-CD1 4.13Å; I348-L370 HydrophobicContact CB-CD1 3.96Å; I348-L370 HydrophobicContact CD1-CD1 3.74Å; I348-L370 HydrophobicContact CG1-CD1 3.98Å; A360-L370 HydrophobicContact CB-CD2 3.91Å; I365-L370 HydrophobicContact CG2-CB 3.96Å; L366-L370 PolarHBondContact O-N 3.29Å; L370-I372 VanDerWaalsContact C-N 3.26Å; L370-I372 PolarHBondContact O-N 3.35Å; L370-I372 VanDerWaalsContact O-N 3.16Å
371N98.6Very high98Very high0 Ų034.2 Ų34.20%019%0.188CC..SBendtrans43.552.1172.5-61.5-17000111.8K212 F346 E347 I348 E350 S373 G374K212-N371 VanDerWaalsContact CD-O 3.25Å; K212-N371 WeakPolarHBondContact CD-O 3.17Å; F346-N371 PolarHBondContact O-N 3.29Å; F346-N371 PolarHBondContact O-OD1 2.87Å; E347-N371 VanDerWaalsContact CA-OD1 3.28Å; E347-N371 WeakPolarHBondContact CA-OD1 3.23Å; I348-N371 PolarHBondContact N-OD1 3.27Å; I348-N371 PolarHBondContact O-ND2 3.05Å; I348-N371 PolarHBondContact O-OD1 2.97Å; E350-N371 WeakPolarHBondContact CG-ND2 3.48Å; E350-N371 WeakPolarHBondContact OE1-CB 3.38Å; E350-N371 PolarHBondContact OE1-ND2 3.44Å; N371-S373 PolarHBondContact O-N 3.25Å; N371-S373 VanDerWaalsContact O-N 3.07Å; N371-G374 PolarHBondContact O-N 3.43Å
372I98.1Very high98Very high45 Ų4529.7 Ų29.723%0.23116%0.16CC..THydrogen-bonded Turntrans-68.1-15.4-163.871175000113V345 E368 L370 T397 L401V345-I372 HydrophobicContact CG2-CD1 4.44Å; E368-I372 WeakPolarHBondContact O-CG2 3.37Å; L370-I372 VanDerWaalsContact C-N 3.26Å; L370-I372 PolarHBondContact O-N 3.35Å; L370-I372 VanDerWaalsContact O-N 3.16Å; I372-T397 HydrophobicContact CD1-CG2 3.4Å; I372-T397 VanDerWaalsContact CD1-CG2 3.4Å; I372-T397 HydrophobicContact CG1-CG2 3.73Å; I372-L401 HydrophobicContact CD1-CD1 4.29Å
373S97.8Very high98Very high1 Ų126 Ų261%0.00714%0.143CC..THydrogen-bonded Turntrans-101.710.9173.9-51.90000113.1Y213 F222 N371 R400Y213-S373 VanDerWaalsContact CA-O 3.31Å; Y213-S373 WeakPolarHBondContact CA-O 3.46Å; Y213-S373 PolarHBondContact N-O 3.46Å; F222-S373 WeakPolarHBondContact CZ-O 3.25Å; N371-S373 PolarHBondContact O-N 3.25Å; N371-S373 VanDerWaalsContact O-N 3.07Å; S373-R400 PolarHBondContact OG-NH2 2.86Å
374G97.7Very high98Very high0 Ų025.5 Ų25.50%014%0.14CC..  trans85.2157.1-170.500000111.6N371N371-G374 PolarHBondContact O-N 3.43Å
375G98.2Very high98Very high0 Ų020.4 Ų20.40%011%0.106CC..  trans-123.1-158.2-177.300000113.4S209 E350 I377 A378 L379S209-G375 PolarHBondContact OG-N 2.92Å; E350-G375 VanDerWaalsContact OE2-CA 3.31Å; E350-G375 WeakPolarHBondContact OE2-CA 3.47Å; E350-G375 PolarHBondContact OE2-N 2.79Å; G375-I377 VanDerWaalsContact C-N 3.26Å; G375-I377 PolarHBondContact O-N 2.76Å; G375-A378 PolarHBondContact O-N 3.13Å; G375-L379 WeakPolarHBondContact O-CB 3.3Å; G375-L379 PolarHBondContact O-N 3.5Å
376A98.4Very high98Very high0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-67.6-17.6-171.300000114.7S279 N349 E350 A378 G380 H381S279-A376 WeakPolarHBondContact CB-O 3.35Å; N349-A376 WeakPolarHBondContact OD1-CB 3.26Å; E350-A376 HydrophobicContact CB-CB 4.18Å; A376-A378 VanDerWaalsContact C-N 3.29Å; A376-G380 WeakPolarHBondContact CB-O 3.42Å; A376-G380 CarbonylContact O-C 3.48Å; A376-G380 WeakPolarHBondContact O-CA 3.26Å; A376-G380 PolarHBondContact O-N 3.36Å; A376-H381 HydrophobicContact CB-CB 4.26Å
377I98.6Very high98.1Very high3 Ų315.6 Ų15.62%0.0158%0.081CC..Hα-helixtrans-65.6-36.8169.9-68.2169.2000110.5F205 A206 Q210 E350 A353 G375F205-I377 HydrophobicContact CD1-CD1 3.84Å; F205-I377 HydrophobicContact CE1-CD1 3.94Å; A206-I377 HydrophobicContact CB-CD1 4.47Å; A206-I377 HydrophobicContact CB-CG2 3.91Å; Q210-I377 PolarHBondContact NE2-O 3.36Å; E350-I377 HydrophobicContact CB-CD1 4.09Å; E350-I377 HydrophobicContact CB-CG1 3.84Å; E350-I377 PolarHBondContact OE2-N 3.17Å; A353-I377 HydrophobicContact CB-CD1 3.98Å; G375-I377 VanDerWaalsContact C-N 3.26Å; G375-I377 PolarHBondContact O-N 2.76Å
378A98.3Very high98.2Very high0 Ų011.7 Ų11.70%06%0.055CC..Hα-helixtrans-85.9-48.717600000112.6Q210 Y213 H247 P248 G375 A376Q210-A378 HydrophobicContact CG-CB 4.47Å; Y213-A378 HydrophobicContact CG-CB 4.26Å; H247-A378 CarbonylContact C-O 3.53Å; H247-A378 PolarHBondContact CD2-O 3.44Å; P248-A378 VanDerWaalsContact CA-O 3.3Å; P248-A378 WeakPolarHBondContact CA-O 3.36Å; P248-A378 WeakPolarHBondContact CD-O 3.5Å; P248-A378 WeakPolarHBondContact CG-O 3.22Å; G375-A378 PolarHBondContact O-N 3.13Å; A376-A378 VanDerWaalsContact C-N 3.29Å
379L98Very high98.4Very high0 Ų05.7 Ų5.70%03%0.027CC..Hα-helixtrans-82.1-36.2-171.4-75.3160.8000113.1I16 Y213 F222 D245 H247 G375I16-L379 WeakPolarHBondContact CB-O 3.29Å; I16-L379 HydrophobicContact CD1-CB 4.09Å; I16-L379 WeakPolarHBondContact CG2-O 3.29Å; Y213-L379 HydrophobicContact CD2-CD2 3.54Å; Y213-L379 HydrophobicContact CD2-CG 3.91Å; Y213-L379 HydrophobicContact CE2-CD2 3.47Å; Y213-L379 VanDerWaalsContact CE2-CD2 3.47Å; Y213-L379 HydrophobicContact CE2-CG 4.33Å; F222-L379 HydrophobicContact CZ-CD2 4.49Å; D245-L379 HydrophobicContact CB-CD2 4.45Å; D245-L379 WeakPolarHBondContact OD2-CD2 3.41Å; H247-L379 WeakPolarHBondContact CB-O 3.38Å; G375-L379 WeakPolarHBondContact O-CB 3.3Å; G375-L379 PolarHBondContact O-N 3.5Å
380G98.2Very high98.4Very high0 Ų03.3 Ų3.30%02%0.017CC..  trans109.8167-172.700000114.6N282 A376N282-G380 WeakPolarHBondContact OD1-CA 3.45Å; A376-G380 WeakPolarHBondContact CB-O 3.42Å; A376-G380 CarbonylContact O-C 3.48Å; A376-G380 WeakPolarHBondContact O-CA 3.26Å; A376-G380 PolarHBondContact O-N 3.36Å
381H98.3Very high98.4Very high11 Ų113 Ų35%0.0512%0.016CC..  trans-130.270.6-172.9-173.733000112.8C101 S279 N282 N349 A376 V383 S386C101-H381 PolarHBondContact SG-NE2 2.8Å; S279-H381 VanDerWaalsContact CB-CB 3.5Å; S279-H381 VanDerWaalsContact OG-CB 3.24Å; S279-H381 WeakPolarHBondContact OG-CB 3Å; N282-H381 PolarHBondContact OD1-N 2.93Å; N349-H381 PolarHBondContact ND2-CE1 3.22Å; N349-H381 PolarHBondContact ND2-ND1 2.89Å; A376-H381 HydrophobicContact CB-CB 4.26Å; H381-V383 PolarHBondContact O-N 3Å; H381-S386 PolarHBondContact CE1-OG 3.16Å; H381-S386 WeakPolarHBondContact ND1-CB 3.45Å; H381-S386 PolarHBondContact ND1-OG 3.38Å
382P98.5Very high98.4Very high0 Ų03 Ų30%02%0.016CC..  trans-66.3104169.127.7-32.1000108.5I16 E132 N282 G384 C385 S386I16-P382 HydrophobicContact CD1-CG 4.44Å; I16-P382 HydrophobicContact CG2-CG 4.43Å; E132-P382 HydrophobicContact CB-CB 3.98Å; N282-P382 HydrophobicContact CB-CB 4.36Å; P382-G384 PolarHBondContact O-N 3.33Å; P382-C385 HydrophobicContact CB-CB 3.93Å; P382-C385 HydrophobicContact CG-CB 3.83Å; P382-C385 CarbonylContact O-C 3.52Å; P382-C385 WeakPolarHBondContact O-CA 3.46Å; P382-C385 WeakPolarHBondContact O-CB 3.46Å; P382-C385 PolarHBondContact O-N 3.33Å; P382-S386 PolarHBondContact O-N 3.42Å; P382-S386 PolarHBondContact O-OG 3.46Å
383V98Very high98.4Very high2 Ų20.9 Ų0.91%0.0121%0.005CC..THydrogen-bonded Turntrans-55.2-48.7-160-70.10000113.8V69 C101 E132 M134 A174 L175 H381 C385V69-V383 HydrophobicContact CB-CG2 3.87Å; V69-V383 HydrophobicContact CG1-CG2 4.43Å; V69-V383 HydrophobicContact CG2-CB 4.25Å; V69-V383 HydrophobicContact CG2-CG2 3.88Å; C101-V383 CarbonylContact C-O 3.55Å; C101-V383 WeakPolarHBondContact CA-O 3.42Å; E132-V383 HydrophobicContact CG-CG2 3.92Å; M134-V383 HydrophobicContact CE-CG1 4.12Å; M134-V383 HydrophobicContact CE-CG2 4.22Å; M134-V383 HydrophobicContact SD-CG1 4.18Å; M134-V383 HydrophobicContact SD-CG2 4.13Å; A174-V383 HydrophobicContact CB-CG2 4.24Å; L175-V383 HydrophobicContact CD2-CG1 4.42Å; H381-V383 PolarHBondContact O-N 3Å; V383-C385 VanDerWaalsContact C-N 3.26Å; V383-C385 PolarHBondContact O-N 3.31Å
384G98.3Very high98.5Very high0 Ų00.9 Ų0.90%00%0.004CC..THydrogen-bonded Turntrans-68.4-19.9177.300000115.3G67 G104 G130 E132 P382G67-G384 CarbonylContact C-O 3.52Å; G104-G384 WeakPolarHBondContact CA-O 3.44Å; G104-G384 PolarHBondContact N-O 3.39Å; G130-G384 WeakPolarHBondContact CA-O 3.36Å; E132-G384 PolarHBondContact OE2-N 3.02Å; P382-G384 PolarHBondContact O-N 3.33Å
385C98.7Very high98.5Very high1 Ų10.9 Ų0.91%0.0070%0.004CC..THydrogen-bonded Turntrans-97.7-29.7-174.9166.10000113.3E132 A285 A286 P382 V383 G387 A388 R389E132-C385 HydrophobicContact CB-CB 4.45Å; A285-C385 VanDerWaalsContact CA-SG 3.58Å; A286-C385 PolarHBondContact N-SG 2.9Å; A286-C385 VanDerWaalsContact N-SG 3.42Å; P382-C385 HydrophobicContact CB-CB 3.93Å; P382-C385 HydrophobicContact CG-CB 3.83Å; P382-C385 CarbonylContact O-C 3.52Å; P382-C385 WeakPolarHBondContact O-CA 3.46Å; P382-C385 WeakPolarHBondContact O-CB 3.46Å; P382-C385 PolarHBondContact O-N 3.33Å; V383-C385 VanDerWaalsContact C-N 3.26Å; V383-C385 PolarHBondContact O-N 3.31Å; C385-G387 VanDerWaalsContact C-N 3.29Å; C385-G387 PolarHBondContact O-N 3.06Å; C385-G387 VanDerWaalsContact O-N 3.09Å; C385-A388 PolarHBondContact O-N 3.12Å; C385-R389 PolarHBondContact O-N 3.25Å
386S98.6Very high98.5Very high0 Ų02 Ų20%01%0.009CC..Hα-helixtrans-57.5-37.1-162.7-68.30000114.8H381 P382 R389 I390H381-S386 PolarHBondContact CE1-OG 3.16Å; H381-S386 WeakPolarHBondContact ND1-CB 3.45Å; H381-S386 PolarHBondContact ND1-OG 3.38Å; P382-S386 PolarHBondContact O-N 3.42Å; P382-S386 PolarHBondContact O-OG 3.46Å; S386-R389 PolarHBondContact O-N 3.11Å; S386-I390 PolarHBondContact O-N 3.38Å
387G98.7Very high98.5Very high0 Ų02 Ų20%01%0.01CC..Hα-helixtrans-62.9-40.9175.200000114.6L105 C385 I390L105-G387 WeakPolarHBondContact CD1-O 3.49Å; C385-G387 VanDerWaalsContact C-N 3.29Å; C385-G387 PolarHBondContact O-N 3.06Å; C385-G387 VanDerWaalsContact O-N 3.09Å; G387-I390 WeakPolarHBondContact O-CG1 3.34Å
388A98.9Very high98.4Very high0 Ų02 Ų20%01%0.009CC..Hα-helixtrans-69.6-38.9173.700000110.6A286 L288 C385 L391 V392A286-A388 HydrophobicContact CB-CB 3.8Å; A286-A388 WeakPolarHBondContact O-CB 3.23Å; L288-A388 HydrophobicContact CD1-CB 3.93Å; C385-A388 PolarHBondContact O-N 3.12Å; A388-L391 WeakPolarHBondContact O-CB 3.48Å; A388-L391 PolarHBondContact O-N 3.33Å; A388-L391 VanDerWaalsContact O-N 3.13Å; A388-V392 WeakPolarHBondContact O-CG2 3.43Å; A388-V392 PolarHBondContact O-N 2.84Å
389R98.8Very high98.2Very high1 Ų14 Ų40%0.0042%0.019CC..Hα-helixtrans-62.2-44.8-179.1-168.1-72.3-47.7144.9-0.3112.6I16 A286 E347 C385 S386 L391 V392 T393I16-R389 HydrophobicContact CD1-CG 4.16Å; A286-R389 HydrophobicContact CB-CB 3.86Å; E347-R389 IonicContact OE2-NH1 3.18Å; C385-R389 PolarHBondContact O-N 3.25Å; S386-R389 PolarHBondContact O-N 3.11Å; R389-L391 VanDerWaalsContact C-N 3.25Å; R389-L391 PolarHBondContact O-N 3.5Å; R389-V392 PolarHBondContact O-N 2.99Å; R389-T393 PolarHBondContact O-N 3.24Å; R389-T393 VanDerWaalsContact O-N 3.08Å; R389-T393 PolarHBondContact O-OG1 3Å
390I98.8Very high98Very high0 Ų06 Ų60%03%0.027CC..Hα-helixtrans-59.3-38.1172.953.2172.2000112.3E347 N349 S386 G387 T393 L394 A423 A424 L425E347-I390 HydrophobicContact CB-CB 3.97Å; E347-I390 HydrophobicContact CB-CG2 4.37Å; N349-I390 HydrophobicContact CB-CG2 4.43Å; S386-I390 PolarHBondContact O-N 3.38Å; G387-I390 WeakPolarHBondContact O-CG1 3.34Å; I390-T393 PolarHBondContact O-N 3.16Å; I390-L394 VanDerWaalsContact O-CB 3.3Å; I390-L394 WeakPolarHBondContact O-CB 3.24Å; I390-L394 PolarHBondContact O-N 3.48Å; I390-A423 HydrophobicContact CB-CB 4.47Å; I390-A423 HydrophobicContact CD1-CB 3.78Å; I390-A423 HydrophobicContact CG1-CB 3.97Å; I390-A424 WeakPolarHBondContact CD1-O 3.4Å; I390-L425 HydrophobicContact CD1-CB 4.45Å; I390-L425 HydrophobicContact CD1-CD2 3.8Å
391L98.9Very high97.7Very high0 Ų08 Ų80%04%0.037CC..Hα-helixtrans-71.4-38.6-179.2-17759.3000111.8I8 L105 V108 L288 A388 R389 L394 V395 A423 I435 V437I8-L391 HydrophobicContact CD1-CD1 4.44Å; I8-L391 HydrophobicContact CD1-CD2 4.18Å; I8-L391 HydrophobicContact CD1-CG 4.35Å; L105-L391 HydrophobicContact CD1-CB 4.15Å; L105-L391 HydrophobicContact CD1-CD2 4Å; V108-L391 HydrophobicContact CB-CD2 4.29Å; V108-L391 HydrophobicContact CG1-CD2 3.72Å; V108-L391 HydrophobicContact CG2-CD2 4.2Å; L288-L391 HydrophobicContact CD2-CB 4.48Å; L288-L391 HydrophobicContact CD2-CD2 3.7Å; L288-L391 HydrophobicContact CD2-CG 3.85Å; A388-L391 WeakPolarHBondContact O-CB 3.48Å; A388-L391 PolarHBondContact O-N 3.33Å; A388-L391 VanDerWaalsContact O-N 3.13Å; R389-L391 VanDerWaalsContact C-N 3.25Å; R389-L391 PolarHBondContact O-N 3.5Å; L391-L394 HydrophobicContact CD1-CD2 4.18Å; L391-L394 WeakPolarHBondContact O-CB 3.38Å; L391-L394 PolarHBondContact O-N 3.35Å; L391-V395 HydrophobicContact CD1-CG1 4.26Å; L391-V395 WeakPolarHBondContact O-CG2 3.26Å; L391-V395 PolarHBondContact O-N 3.44Å; L391-A423 HydrophobicContact CB-CB 4.42Å; L391-A423 HydrophobicContact CD1-CB 4.27Å; L391-I435 HydrophobicContact CD1-CG2 3.92Å; L391-I435 HydrophobicContact CD2-CD1 4.25Å; L391-I435 HydrophobicContact CD2-CG2 4.26Å; L391-V437 HydrophobicContact CD1-CG1 3.86Å; L391-V437 HydrophobicContact CD1-CG2 4.28Å
392V98.9Very high97.3Very high0 Ų08.8 Ų8.80%04%0.044CC..Hα-helixtrans-55.4-54.5171.2171.40000109.6A11 R13 E225 A286 L288 A388 R389 L394 V395 H396A11-V392 HydrophobicContact CB-CG1 4.46Å; A11-V392 HydrophobicContact CB-CG2 4.08Å; R13-V392 HydrophobicContact CG-CG1 4.4Å; E225-V392 HydrophobicContact CB-CG1 3.61Å; A286-V392 HydrophobicContact CB-CG2 4.2Å; L288-V392 HydrophobicContact CD1-CG2 4.01Å; L288-V392 HydrophobicContact CG-CG2 4.13Å; A388-V392 WeakPolarHBondContact O-CG2 3.43Å; A388-V392 PolarHBondContact O-N 2.84Å; R389-V392 PolarHBondContact O-N 2.99Å; V392-L394 VanDerWaalsContact C-N 3.29Å; V392-L394 PolarHBondContact O-N 2.87Å; V392-V395 VanDerWaalsContact O-CG2 3.23Å; V392-V395 WeakPolarHBondContact O-CG2 3.35Å; V392-V395 PolarHBondContact O-N 3.43Å; V392-H396 PolarHBondContact O-CD2 3.38Å; V392-H396 PolarHBondContact O-N 3.12Å
393T98.8Very high96.7Very high0 Ų014.6 Ų14.60%07%0.069CC..Hα-helixtrans-60.6-38.4179.5-55.40000112.5E225 R389 I390 T397E225-T393 PolarHBondContact OE1-OG1 3.3Å; E225-T393 VanDerWaalsContact OE2-CA 3.25Å; E225-T393 WeakPolarHBondContact OE2-CA 3.47Å; E225-T393 PolarHBondContact OE2-OG1 3.03Å; R389-T393 PolarHBondContact O-N 3.24Å; R389-T393 VanDerWaalsContact O-N 3.08Å; R389-T393 PolarHBondContact O-OG1 3Å; I390-T393 PolarHBondContact O-N 3.16Å; T393-T397 WeakPolarHBondContact O-CB 3.49Å; T393-T397 PolarHBondContact O-N 3.45Å; T393-T397 PolarHBondContact O-OG1 2.8Å
394L98.8Very high95.7Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-60.3-52.4177.1-177.959.8000111.7V345 E347 I390 L391 V392 H396 T397 L398 A423 V437V345-L394 HydrophobicContact CB-CD1 3.8Å; V345-L394 HydrophobicContact CG1-CD1 3.63Å; E347-L394 HydrophobicContact CB-CB 4.23Å; E347-L394 HydrophobicContact CB-CD1 4.48Å; E347-L394 HydrophobicContact CG-CB 3.81Å; E347-L394 HydrophobicContact CG-CD1 4.02Å; E347-L394 HydrophobicContact CG-CG 4.48Å; I390-L394 VanDerWaalsContact O-CB 3.3Å; I390-L394 WeakPolarHBondContact O-CB 3.24Å; I390-L394 PolarHBondContact O-N 3.48Å; L391-L394 HydrophobicContact CD1-CD2 4.18Å; L391-L394 WeakPolarHBondContact O-CB 3.38Å; L391-L394 PolarHBondContact O-N 3.35Å; V392-L394 VanDerWaalsContact C-N 3.29Å; V392-L394 PolarHBondContact O-N 2.87Å; L394-H396 VanDerWaalsContact C-N 3.35Å; L394-H396 PolarHBondContact O-N 3.03Å; L394-T397 PolarHBondContact O-N 3.25Å; L394-L398 HydrophobicContact CD1-CD1 4.34Å; L394-L398 HydrophobicContact CD1-CG 4.24Å; L394-L398 HydrophobicContact CG-CD1 4.21Å; L394-L398 WeakPolarHBondContact O-CG 3.42Å; L394-L398 PolarHBondContact O-N 3.43Å; L394-A423 HydrophobicContact CD2-CB 3.76Å; L394-V437 HydrophobicContact CD2-CG2 3.65Å; L394-V437 HydrophobicContact CG-CG2 4.08Å
395V98.4Very high93.9Very high0 Ų023 Ų230%011%0.11CC..Hα-helixtrans-65.8-38.5-175.6-62.60000111.9I8 A11 L305 A306 L391 V392 L398 Q399 V437I8-V395 HydrophobicContact CD1-CG1 3.84Å; A11-V395 HydrophobicContact CB-CG2 3.8Å; L305-V395 HydrophobicContact CB-CB 4.43Å; L305-V395 HydrophobicContact CD1-CG2 4.25Å; A306-V395 HydrophobicContact CB-CB 4.47Å; A306-V395 HydrophobicContact CB-CG1 3.84Å; L391-V395 HydrophobicContact CD1-CG1 4.26Å; L391-V395 WeakPolarHBondContact O-CG2 3.26Å; L391-V395 PolarHBondContact O-N 3.44Å; V392-V395 VanDerWaalsContact O-CG2 3.23Å; V392-V395 WeakPolarHBondContact O-CG2 3.35Å; V392-V395 PolarHBondContact O-N 3.43Å; V395-L398 PolarHBondContact O-N 3.38Å; V395-Q399 WeakPolarHBondContact O-CB 3.19Å; V395-Q399 VanDerWaalsContact O-CG 3.26Å; V395-Q399 WeakPolarHBondContact O-CG 3.49Å; V395-Q399 PolarHBondContact O-N 2.88Å; V395-V437 HydrophobicContact CG1-CG2 4.25Å
396H97.8Very high91.9Very high23 Ų2327.5 Ų27.511%0.10613%0.134CC..Hα-helixtrans-67.5-38175.2-77.2-73.6000112.2A11 N224 E225 V392 L394 Q399 R400A11-H396 PolarHBondContact O-NE2 2.82Å; N224-H396 PolarHBondContact O-CE1 3.24Å; N224-H396 PolarHBondContact O-NE2 3.08Å; E225-H396 IonicContact OE2-CD2 3.19Å; V392-H396 PolarHBondContact O-CD2 3.38Å; V392-H396 PolarHBondContact O-N 3.12Å; L394-H396 VanDerWaalsContact C-N 3.35Å; L394-H396 PolarHBondContact O-N 3.03Å; H396-Q399 PolarHBondContact O-N 3.29Å; H396-R400 PolarHBondContact O-N 2.89Å
397T97.4Very high89.7Confident2 Ų233.4 Ų33.41%0.01217%0.17CC..Hα-helixtrans-63.3-47.1175.2-65.70000111.5V345 I372 T393 L394 Q399 R400 L401V345-T397 HydrophobicContact CG1-CG2 4.18Å; V345-T397 HydrophobicContact CG2-CG2 4.19Å; I372-T397 HydrophobicContact CD1-CG2 3.4Å; I372-T397 VanDerWaalsContact CD1-CG2 3.4Å; I372-T397 HydrophobicContact CG1-CG2 3.73Å; T393-T397 WeakPolarHBondContact O-CB 3.49Å; T393-T397 PolarHBondContact O-N 3.45Å; T393-T397 PolarHBondContact O-OG1 2.8Å; L394-T397 PolarHBondContact O-N 3.25Å; T397-Q399 VanDerWaalsContact C-N 3.33Å; T397-Q399 PolarHBondContact O-N 3.09Å; T397-R400 PolarHBondContact O-N 3.29Å; T397-L401 HydrophobicContact CG2-CD1 4.22Å; T397-L401 WeakPolarHBondContact O-CG 3.47Å; T397-L401 PolarHBondContact O-N 2.76Å
398L97Very high87.2Confident1 Ų137.7 Ų37.71%0.00520%0.2CC..Hα-helixtrans-61.6-42177.4-65.4173.1000111.9V345 L394 V395 R400 L401 C402 R419 V437 T439V345-L398 HydrophobicContact CB-CD2 4.04Å; V345-L398 HydrophobicContact CG2-CD2 3.86Å; L394-L398 HydrophobicContact CD1-CD1 4.34Å; L394-L398 HydrophobicContact CD1-CG 4.24Å; L394-L398 HydrophobicContact CG-CD1 4.21Å; L394-L398 WeakPolarHBondContact O-CG 3.42Å; L394-L398 PolarHBondContact O-N 3.43Å; V395-L398 PolarHBondContact O-N 3.38Å; L398-R400 VanDerWaalsContact C-N 3.34Å; L398-R400 PolarHBondContact O-N 3.44Å; L398-L401 PolarHBondContact O-N 3.06Å; L398-C402 PolarHBondContact O-N 3.47Å; L398-R419 HydrophobicContact CB-CB 4.41Å; L398-R419 HydrophobicContact CD2-CB 3.9Å; L398-V437 HydrophobicContact CD1-CG2 3.88Å; L398-T439 HydrophobicContact CB-CG2 3.62Å
399Q94.6Very high84.4Confident43 Ų4341.6 Ų41.620%0.20124%0.24CC..Hα-helixtrans-62.4-39.3176.6-74.8-64.4-4200112.5L305 V395 H396 T397 C402 K403L305-Q399 HydrophobicContact CD2-CG 4.27Å; L305-Q399 PolarHBondContact O-NE2 3.34Å; V395-Q399 WeakPolarHBondContact O-CB 3.19Å; V395-Q399 VanDerWaalsContact O-CG 3.26Å; V395-Q399 WeakPolarHBondContact O-CG 3.49Å; V395-Q399 PolarHBondContact O-N 2.88Å; H396-Q399 PolarHBondContact O-N 3.29Å; T397-Q399 VanDerWaalsContact C-N 3.33Å; T397-Q399 PolarHBondContact O-N 3.09Å; Q399-C402 PolarHBondContact O-N 2.65Å; Q399-K403 WeakPolarHBondContact O-CG 3.28Å; Q399-K403 PolarHBondContact O-N 3.31Å
400R93.7Very high81.7Confident42 Ų4243.4 Ų43.416%0.15826%0.259CS..Hα-helixtrans-64-46.8173.1179.8177.161.2-122.54.4111.4H221 S373 H396 T397 L398 C402 K403 D404H221-R400 PolarHBondContact CD2-NH1 3.01Å; H221-R400 VanDerWaalsContact CE1-CZ 3.5Å; H221-R400 VanDerWaalsContact CG-CZ 3.4Å; H221-R400 VanDerWaalsContact ND1-CZ 3.27Å; H221-R400 PolarHBondContact ND1-NH1 3.37Å; H221-R400 PolarHBondContact ND1-NH2 2.95Å; S373-R400 PolarHBondContact OG-NH2 2.86Å; H396-R400 PolarHBondContact O-N 2.89Å; T397-R400 PolarHBondContact O-N 3.29Å; L398-R400 VanDerWaalsContact C-N 3.34Å; L398-R400 PolarHBondContact O-N 3.44Å; R400-C402 VanDerWaalsContact C-N 3.26Å; R400-C402 PolarHBondContact O-N 3.03Å; R400-K403 WeakPolarHBondContact O-CB 3.39Å; R400-K403 PolarHBondContact O-N 2.99Å; R400-D404 PolarHBondContact O-N 3.37Å
401L92.7Very high78.9Confident43 Ų4348.2 Ų48.223%0.22531%0.309CS..Hα-helixtrans-62-32.4178.9-68.5176.1000112.7V345 I372 T397 L398 H405V345-L401 HydrophobicContact CG2-CD1 3.47Å; V345-L401 VanDerWaalsContact CG2-CD1 3.47Å; I372-L401 HydrophobicContact CD1-CD1 4.29Å; T397-L401 HydrophobicContact CG2-CD1 4.22Å; T397-L401 WeakPolarHBondContact O-CG 3.47Å; T397-L401 PolarHBondContact O-N 2.76Å; L398-L401 PolarHBondContact O-N 3.06Å; L401-H405 PolarHBondContact O-CD2 3.17Å; L401-H405 VanDerWaalsContact O-CD2 3.24Å
402C89.2Confident76.4Confident27 Ų2750.1 Ų50.118%0.18233%0.329CS..Hα-helixtrans-61.7-46.3169.9-75.40000111.6L398 Q399 R400 R419 T439L398-C402 PolarHBondContact O-N 3.47Å; Q399-C402 PolarHBondContact O-N 2.65Å; R400-C402 VanDerWaalsContact C-N 3.26Å; R400-C402 PolarHBondContact O-N 3.03Å; C402-R419 WeakPolarHBondContact SG-CG 3.05Å; C402-T439 PolarHBondContact SG-OG1 2.91Å
403K84.9Confident73.9Confident122 Ų12256.1 Ų56.153%0.5336%0.361SS..Hα-helixtrans-68.5-40.7-177.7-67.6174.8-178.5-1800113.6Q399 R400 H405 D406 V407Q399-K403 WeakPolarHBondContact O-CG 3.28Å; Q399-K403 PolarHBondContact O-N 3.31Å; R400-K403 WeakPolarHBondContact O-CB 3.39Å; R400-K403 PolarHBondContact O-N 2.99Å; K403-H405 PolarHBondContact O-N 3.44Å; K403-D406 WeakPolarHBondContact O-CB 3.35Å; K403-D406 PolarHBondContact O-N 3.07Å; K403-V407 PolarHBondContact O-N 3.28Å
404D77.7Confident71.5Confident81 Ų8160 Ų6043%0.43338%0.379SS..Hα-helixtrans-63.7-30.9-177.9-67.8-20.5000111.9R400 V407 S408R400-D404 PolarHBondContact O-N 3.37Å; D404-V407 PolarHBondContact O-N 2.95Å; D404-S408 PolarHBondContact O-N 3.15Å; D404-S408 PolarHBondContact O-OG 3.4Å
405H61.1Low69.3Low97 Ų9762.9 Ų62.945%0.44940%0.398SS..Hα-helixtrans-70.4-28.9173.6-88.3-87.4000113.4L401 K403 V407 R419L401-H405 PolarHBondContact O-CD2 3.17Å; L401-H405 VanDerWaalsContact O-CD2 3.24Å; K403-H405 PolarHBondContact O-N 3.44Å; H405-V407 VanDerWaalsContact C-N 3.28Å; H405-V407 PolarHBondContact O-N 3.31Å; H405-R419 PolarHBondContact CD2-NH2 2.79Å; H405-R419 PolarHBondContact CE1-NH2 3.04Å; H405-R419 VanDerWaalsContact CE1-NH2 3.29Å; H405-R419 VanDerWaalsContact CG-NH2 3.3Å; H405-R419 PolarHBondContact NE2-NH2 2.84Å
406D56.6Low67.6Low96 Ų9666.6 Ų66.651%0.51342%0.421SS..Hα-helixtrans-69.3-27.2174.1-68.1-33.7000112K403K403-D406 WeakPolarHBondContact O-CB 3.35Å; K403-D406 PolarHBondContact O-N 3.07Å
407V52.3Low66.7Low124 Ų12468.4 Ų68.475%0.75243%0.434SS*.Hα-helixtrans-87.6-28.6-175.7-176.20000112.6K403 D404 H405 G409K403-V407 PolarHBondContact O-N 3.28Å; D404-V407 PolarHBondContact O-N 2.95Å; H405-V407 VanDerWaalsContact C-N 3.28Å; H405-V407 PolarHBondContact O-N 3.31Å; V407-G409 PolarHBondContact O-N 3.01Å
408S46.7Very low66.4Low89 Ų8971.1 Ų71.162%0.62245%0.451SS*.SBendtrans-97.963.3-172.142.30000114D404D404-S408 PolarHBondContact O-N 3.15Å; D404-S408 PolarHBondContact O-OG 3.4Å
409G39.5Very low66.3Low82 Ų8272.7 Ų72.785%0.84546%0.456SS*.SBendtrans7836.8138.500000120.7V407V407-G409 PolarHBondContact O-N 3.01Å
410G42.3Very low66.4Low40 Ų4074.3 Ų74.341%0.41246%0.46SS..  trans-129.7121164.300000110.5G412 H414G410-G412 PolarHBondContact O-N 2.86Å; G410-H414 PolarHBondContact O-CD2 3.45Å; G410-H414 PolarHBondContact O-NE2 3.42Å
411G39.8Very low66.7Low101 Ų10172.3 Ų72.3100%1.04145%0.453SS*.  trans-69.734.1178.200000115.1
412G46.4Very low67Low40 Ų4070.2 Ų70.241%0.41244%0.442SS..SBendtrans-96.6151.4168.800000110.8G410 H414G410-G412 PolarHBondContact O-N 2.86Å; G412-H414 PolarHBondContact O-CD2 2.64Å; G412-H414 PolarHBondContact O-N 3.38Å
413D45.4Very low67.4Low125 Ų12569 Ų6967%0.66843%0.434SS*.  trans-65.580.5168.6-176.56000109.6S415 T416D413-S415 VanDerWaalsContact C-N 3.29Å; D413-S415 PolarHBondContact O-N 3.4Å; D413-S415 PolarHBondContact OD1-OG 3.38Å; D413-T416 PolarHBondContact O-OG1 3.37Å
414H49.3Very low68.1Low83 Ų8363.1 Ų63.138%0.38441%0.408SS..G310 helixtrans-886-172.8-66.4-43.3000113.8G410 G412 T416G410-H414 PolarHBondContact O-CD2 3.45Å; G410-H414 PolarHBondContact O-NE2 3.42Å; G412-H414 PolarHBondContact O-CD2 2.64Å; G412-H414 PolarHBondContact O-N 3.38Å; H414-T416 PolarHBondContact O-N 2.94Å
415S51.8Low69.1Low59 Ų5959.3 Ų59.341%0.41339%0.388SS..G310 helixtrans-59.4-2.4166.575.60000113.5D413 V441D413-S415 VanDerWaalsContact C-N 3.29Å; D413-S415 PolarHBondContact O-N 3.4Å; D413-S415 PolarHBondContact OD1-OG 3.38Å; S415-V441 WeakPolarHBondContact O-CG1 3.45Å
416T63.6Low70.8Confident78 Ų7854.8 Ų54.848%0.47937%0.367SS..G310 helixtrans-102.3-2.7-169.1550000116.4D413 H414 V418 V441D413-T416 PolarHBondContact O-OG1 3.37Å; H414-T416 PolarHBondContact O-N 2.94Å; T416-V418 PolarHBondContact O-N 3.4Å; T416-V441 HydrophobicContact CG2-CG1 4.4Å; T416-V441 WeakPolarHBondContact O-CG2 3.23Å
417V79.7Confident72.8Confident62 Ų6250.2 Ų50.238%0.37634%0.343SS..  trans-84.8107.1-175.8-175.10000111.8R419V417-R419 PolarHBondContact O-N 3.37Å
418V89.4Confident74.8Confident59 Ų5944.7 Ų44.736%0.35831%0.31SS..  trans-68.8122.6168.9-179.90000109.7T416 E438 V441T416-V418 PolarHBondContact O-N 3.4Å; V418-E438 HydrophobicContact CG1-CB 3.71Å; V418-E438 HydrophobicContact CG1-CG 4.1Å; V418-V441 HydrophobicContact CB-CG2 4.46Å; V418-V441 HydrophobicContact CG2-CG2 3.51Å
419R95Very high77.1Confident33 Ų3341.4 Ų41.413%0.12529%0.291CS..  trans-101.6136.8173.2-61.9-65.5-179.5170.7-0.7110.4D344 L398 C402 H405 V417 E438 T439D344-R419 IonicContact OD1-NH1 3.84Å; D344-R419 PolarHBondContact OD1-NH1 3.3Å; D344-R419 VanDerWaalsContact OD1-NH1 3.08Å; D344-R419 VanDerWaalsContact OD2-CA 3.32Å; D344-R419 WeakPolarHBondContact OD2-CA 3.42Å; L398-R419 HydrophobicContact CB-CB 4.41Å; L398-R419 HydrophobicContact CD2-CB 3.9Å; C402-R419 WeakPolarHBondContact SG-CG 3.05Å; H405-R419 PolarHBondContact CD2-NH2 2.79Å; H405-R419 PolarHBondContact CE1-NH2 3.04Å; H405-R419 VanDerWaalsContact CE1-NH2 3.29Å; H405-R419 VanDerWaalsContact CG-NH2 3.3Å; H405-R419 PolarHBondContact NE2-NH2 2.84Å; V417-R419 PolarHBondContact O-N 3.37Å; R419-E438 CarbonylContact O-C 3.55Å; R419-E438 WeakPolarHBondContact O-CA 3.43Å; R419-T439 HydrophobicContact CB-CG2 3.96Å; R419-T439 PolarHBondContact N-OG1 3.47Å; R419-T439 PolarHBondContact O-N 3.23Å
420R98Very high79.9Confident77 Ų7737.7 Ų37.729%0.29125%0.252SS..EExtended strand (participates in β ladder)trans-112.9132.7-174.3-66.6179177.9165.55110.6W338 S342 D344 V345 E438W338-R420 HydrophobicContact CE3-CB 4.32Å; W338-R420 HydrophobicContact CH2-CB 3.63Å; W338-R420 HydrophobicContact CH2-CG 3.51Å; W338-R420 HydrophobicContact CZ2-CB 4.25Å; W338-R420 HydrophobicContact CZ2-CG 3.64Å; W338-R420 HydrophobicContact CZ3-CB 3.67Å; W338-R420 HydrophobicContact CZ3-CG 4Å; S342-R420 WeakPolarHBondContact O-CD 3.47Å; S342-R420 PolarHBondContact OG-NH1 3.42Å; D344-R420 WeakPolarHBondContact CB-O 3.5Å; D344-R420 PolarHBondContact N-O 3.46Å; D344-R420 PolarHBondContact OD2-N 3.31Å; V345-R420 PolarHBondContact N-O 2.94Å; R420-E438 HydrophobicContact CG-CB 4.32Å
421G98.7Very high82.5Confident0 Ų038.8 Ų38.80%025%0.247CC..EExtended strand (participates in β ladder)trans-129.9150.7178.200000112.7V345 A436 V437V345-G421 CarbonylContact O-C 3.46Å; V345-G421 VanDerWaalsContact O-CA 3.24Å; V345-G421 WeakPolarHBondContact O-CA 3.45Å; G421-A436 WeakPolarHBondContact O-CA 3.48Å; G421-V437 PolarHBondContact N-O 2.97Å; G421-V437 PolarHBondContact O-N 3.01Å
422V98.9Very high85.3Confident0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-126.7126171.2174.10000109.4I329 L332 L333 V343 V345 F346 E347 A434 I435 A436I329-V422 HydrophobicContact CD1-CG1 4.43Å; I329-V422 HydrophobicContact CG1-CG1 3.99Å; L332-V422 HydrophobicContact CD2-CG1 4.2Å; L333-V422 HydrophobicContact CD2-CG2 4.09Å; V343-V422 HydrophobicContact CG1-CB 4.22Å; V343-V422 HydrophobicContact CG1-CG2 3.87Å; V343-V422 HydrophobicContact CG2-CG2 3.93Å; V345-V422 PolarHBondContact O-N 3.47Å; F346-V422 CarbonylContact C-O 3.45Å; F346-V422 WeakPolarHBondContact CA-O 3.41Å; F346-V422 HydrophobicContact CD1-CB 3.82Å; F346-V422 HydrophobicContact CD1-CG1 4.2Å; F346-V422 HydrophobicContact CE1-CB 3.91Å; F346-V422 HydrophobicContact CE1-CG1 4.32Å; F346-V422 HydrophobicContact CE1-CG2 4.22Å; E347-V422 PolarHBondContact N-O 2.67Å; V422-A434 HydrophobicContact CG1-CB 4.42Å; V422-I435 WeakPolarHBondContact CA-O 3.32Å; V422-A436 HydrophobicContact CG2-CB 4.46Å
423A98.9Very high87.8Confident0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-105.7130169.600000108.8E347 I390 L391 L394 A434 I435E347-A423 HydrophobicContact CB-CB 4.46Å; E347-A423 CarbonylContact O-C 3.57Å; E347-A423 VanDerWaalsContact O-CA 3.26Å; E347-A423 WeakPolarHBondContact O-CA 3.33Å; I390-A423 HydrophobicContact CB-CB 4.47Å; I390-A423 HydrophobicContact CD1-CB 3.78Å; I390-A423 HydrophobicContact CG1-CB 3.97Å; L391-A423 HydrophobicContact CB-CB 4.42Å; L391-A423 HydrophobicContact CD1-CB 4.27Å; L394-A423 HydrophobicContact CD2-CB 3.76Å; A423-A434 CarbonylContact O-C 3.5Å; A423-A434 VanDerWaalsContact O-CA 3.26Å; A423-A434 WeakPolarHBondContact O-CA 3.38Å; A423-I435 HydrophobicContact CB-CG2 3.85Å; A423-I435 PolarHBondContact N-O 3.27Å; A423-I435 PolarHBondContact O-N 3.03Å
424A98.9Very high90.4Very high0 Ų026.1 Ų26.10%015%0.146CC..EExtended strand (participates in β ladder)trans-147.6155.5-176.400000113.4P325 I329 E347 I348 N349 I390 I433 A434P325-A424 HydrophobicContact CB-CB 4.18Å; I329-A424 HydrophobicContact CD1-CB 3.77Å; I329-A424 HydrophobicContact CG1-CB 3.79Å; E347-A424 PolarHBondContact O-N 2.82Å; I348-A424 VanDerWaalsContact CA-O 3.32Å; I348-A424 WeakPolarHBondContact CA-O 3.3Å; I348-A424 HydrophobicContact CG1-CB 4.5Å; N349-A424 PolarHBondContact N-O 3.16Å; I390-A424 WeakPolarHBondContact CD1-O 3.4Å; A424-I433 VanDerWaalsContact CA-O 3.27Å; A424-I433 WeakPolarHBondContact CA-O 3.11Å; A424-A434 HydrophobicContact CB-CB 3.84Å
425L98.3Very high92.7Very high0 Ų022.1 Ų22.10%013%0.128CC..EExtended strand (participates in β ladder)trans-158.9151.1-177.955.793.7000112.3C101 L105 P325 N349 I390 I427 G432 I433C101-L425 HydrophobicContact CB-CD1 4.49Å; L105-L425 HydrophobicContact CB-CD2 4.04Å; L105-L425 HydrophobicContact CD2-CD2 4.08Å; P325-L425 VanDerWaalsContact CG-C 3.43Å; N349-L425 HydrophobicContact CB-CB 3.61Å; I390-L425 HydrophobicContact CD1-CB 4.45Å; I390-L425 HydrophobicContact CD1-CD2 3.8Å; L425-I427 HydrophobicContact CD1-CD1 4.32Å; L425-I427 HydrophobicContact CD1-CG1 3.68Å; L425-G432 WeakPolarHBondContact O-CA 3.19Å; L425-I433 HydrophobicContact CD1-CG2 3.42Å; L425-I433 VanDerWaalsContact CD1-CG2 3.42Å; L425-I433 HydrophobicContact CD2-CG2 4.33Å; L425-I433 HydrophobicContact CG-CG2 3.66Å; L425-I433 PolarHBondContact N-O 3.33Å; L425-I433 PolarHBondContact O-N 3.24Å; L425-I433 VanDerWaalsContact O-N 3.09Å
426C98.1Very high95Very high2 Ų219.3 Ų19.31%0.01411%0.108CC..EExtended strand (participates in β ladder)trans-77.5156.4168.959.80000110.3M321 P325 Q355M321-C426 VanDerWaalsContact O-CB 3.28Å; M321-C426 WeakPolarHBondContact O-CB 3.15Å; M321-C426 HydrophobicContact SD-CB 4.37Å; P325-C426 HydrophobicContact CG-CB 4.33Å; Q355-C426 VanDerWaalsContact CD-SG 3.53Å; Q355-C426 PolarHBondContact NE2-SG 2.84Å; Q355-C426 PolarHBondContact OE1-SG 3.5Å
427I98Very high96.7Very high1 Ų115.6 Ų15.61%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-135.4127.9-176.6-64.1165.9000107.3M99 M100 L425 G430 M431 I433M99-I427 HydrophobicContact CG-CD1 3.88Å; M99-I427 HydrophobicContact CG-CG2 4.18Å; M99-I427 WeakPolarHBondContact O-CG2 3.45Å; M99-I427 HydrophobicContact SD-CD1 3.82Å; M100-I427 HydrophobicContact CB-CG2 3.98Å; M100-I427 HydrophobicContact CG-CG2 4.34Å; L425-I427 HydrophobicContact CD1-CD1 4.32Å; L425-I427 HydrophobicContact CD1-CG1 3.68Å; I427-G430 PolarHBondContact O-N 2.77Å; I427-M431 HydrophobicContact CB-CB 3.68Å; I427-M431 HydrophobicContact CD1-CB 4.12Å; I427-M431 HydrophobicContact CG1-CB 4.46Å; I427-M431 HydrophobicContact CG2-CB 3.91Å; I427-M431 HydrophobicContact CG2-CE 3.72Å; I427-M431 PolarHBondContact N-O 3.34Å; I427-M431 PolarHBondContact O-N 3.33Å; I427-M431 VanDerWaalsContact O-N 3.08Å; I427-I433 HydrophobicContact CD1-CB 3.87Å; I427-I433 HydrophobicContact CD1-CG2 3.59Å; I427-I433 HydrophobicContact CG1-CG2 4.26Å
428G95.2Very high97.5Very high7 Ų714.1 Ų14.17%0.0727%0.074CC..THydrogen-bonded Turntrans-53.6146.7174.800000112.1
429G94.8Very high97.8Very high21 Ų2111.5 Ų11.522%0.2166%0.058CC..THydrogen-bonded Turntrans81.811.9-170.900000115.1D177D177-G429 WeakPolarHBondContact OD2-CA 3.33Å; D177-G429 PolarHBondContact OD2-N 2.98Å; D177-G429 VanDerWaalsContact OD2-N 3.07Å
430G97Very high97.4Very high3 Ų310.8 Ų10.83%0.0316%0.059CC..THydrogen-bonded Turntrans86.956.4171.300000114G315 L316 I427G315-G430 CarbonylContact C-O 3.6Å; G315-G430 WeakPolarHBondContact CA-O 3.4Å; L316-G430 VanDerWaalsContact CD2-C 3.45Å; L316-G430 PolarHBondContact N-O 3.19Å; L316-G430 CarbonylContact O-C 3.5Å; L316-G430 VanDerWaalsContact O-CA 3.29Å; L316-G430 WeakPolarHBondContact O-CA 3.44Å; I427-G430 PolarHBondContact O-N 2.77Å
431M98.1Very high96Very high63 Ų6310.6 Ų10.631%0.317%0.066SC..EExtended strand (participates in β ladder)trans-141.4166.7177.2-74.3176.2-71.900112.8A314 I427A314-M431 CarbonylContact O-C 3.56Å; A314-M431 VanDerWaalsContact O-CA 3.23Å; A314-M431 WeakPolarHBondContact O-CA 3.3Å; I427-M431 HydrophobicContact CB-CB 3.68Å; I427-M431 HydrophobicContact CD1-CB 4.12Å; I427-M431 HydrophobicContact CG1-CB 4.46Å; I427-M431 HydrophobicContact CG2-CB 3.91Å; I427-M431 HydrophobicContact CG2-CE 3.72Å; I427-M431 PolarHBondContact N-O 3.34Å; I427-M431 PolarHBondContact O-N 3.33Å; I427-M431 VanDerWaalsContact O-N 3.08Å
432G98.6Very high95.9Very high0 Ų011.1 Ų11.10%07%0.069CC..EExtended strand (participates in β ladder)trans-145154.9166.900000111.7Q313 A314 L425Q313-G432 CarbonylContact C-O 3.59Å; Q313-G432 WeakPolarHBondContact CA-O 3.39Å; Q313-G432 WeakPolarHBondContact CB-O 3.37Å; A314-G432 PolarHBondContact N-O 2.92Å; A314-G432 PolarHBondContact O-N 3.34Å; L425-G432 WeakPolarHBondContact O-CA 3.19Å
433I98.9Very high95.8Very high0 Ų011.7 Ų11.70%07%0.073CC..EExtended strand (participates in β ladder)trans-138.9145.2177.4-173.1170.4000110M99 L105 K106 H312 Q313 A424 L425 I427M99-I433 HydrophobicContact SD-CD1 4.32Å; L105-I433 HydrophobicContact CD2-CG1 4.31Å; L105-I433 HydrophobicContact CD2-CG2 4.05Å; K106-I433 HydrophobicContact CB-CD1 4.12Å; K106-I433 HydrophobicContact CD-CD1 4.07Å; H312-I433 WeakPolarHBondContact O-CA 3.29Å; Q313-I433 HydrophobicContact CB-CB 4.31Å; Q313-I433 HydrophobicContact CB-CG1 4.25Å; A424-I433 VanDerWaalsContact CA-O 3.27Å; A424-I433 WeakPolarHBondContact CA-O 3.11Å; L425-I433 HydrophobicContact CD1-CG2 3.42Å; L425-I433 VanDerWaalsContact CD1-CG2 3.42Å; L425-I433 HydrophobicContact CD2-CG2 4.33Å; L425-I433 HydrophobicContact CG-CG2 3.66Å; L425-I433 PolarHBondContact N-O 3.33Å; L425-I433 PolarHBondContact O-N 3.24Å; L425-I433 VanDerWaalsContact O-N 3.09Å; I427-I433 HydrophobicContact CD1-CB 3.87Å; I427-I433 HydrophobicContact CD1-CG2 3.59Å; I427-I433 HydrophobicContact CG1-CG2 4.26Å
434A98.9Very high95.6Very high0 Ų012.3 Ų12.30%08%0.077CC..EExtended strand (participates in β ladder)trans-141.9145.8176.900000111.1W311 H312 A328 I329 L332 V422 A423 A424W311-A434 CarbonylContact C-O 3.55Å; W311-A434 VanDerWaalsContact CA-O 3.25Å; W311-A434 WeakPolarHBondContact CA-O 3.41Å; W311-A434 WeakPolarHBondContact CB-O 3.43Å; H312-A434 PolarHBondContact N-O 2.88Å; H312-A434 PolarHBondContact O-N 3.47Å; A328-A434 HydrophobicContact CB-CB 3.88Å; I329-A434 HydrophobicContact CG1-CB 4.03Å; L332-A434 HydrophobicContact CB-CB 4.36Å; L332-A434 HydrophobicContact CD2-CB 3.64Å; V422-A434 HydrophobicContact CG1-CB 4.42Å; A423-A434 CarbonylContact O-C 3.5Å; A423-A434 VanDerWaalsContact O-CA 3.26Å; A423-A434 WeakPolarHBondContact O-CA 3.38Å; A424-A434 HydrophobicContact CB-CB 3.84Å
435I98.9Very high95.4Very high0 Ų013.1 Ų13.10%08%0.081CC..EExtended strand (participates in β ladder)trans-127.7141172.3-165.9166.7000109.8L105 V108 I308 W311 L391 V422 A423L105-I435 HydrophobicContact CD1-CB 4.18Å; L105-I435 HydrophobicContact CD1-CG2 3.46Å; L105-I435 VanDerWaalsContact CD1-CG2 3.46Å; L105-I435 HydrophobicContact CD2-CB 4.42Å; L105-I435 HydrophobicContact CD2-CG2 4.07Å; L105-I435 HydrophobicContact CG-CB 4.47Å; L105-I435 HydrophobicContact CG-CG2 4.15Å; V108-I435 HydrophobicContact CG1-CD1 3.86Å; I308-I435 HydrophobicContact CD1-CD1 4.33Å; I308-I435 HydrophobicContact CG2-CD1 3.84Å; I308-I435 HydrophobicContact CG2-CG1 3.97Å; W311-I435 HydrophobicContact CB-CB 4.29Å; W311-I435 HydrophobicContact CB-CG1 4.11Å; L391-I435 HydrophobicContact CD1-CG2 3.92Å; L391-I435 HydrophobicContact CD2-CD1 4.25Å; L391-I435 HydrophobicContact CD2-CG2 4.26Å; V422-I435 WeakPolarHBondContact CA-O 3.32Å; A423-I435 HydrophobicContact CB-CG2 3.85Å; A423-I435 PolarHBondContact N-O 3.27Å; A423-I435 PolarHBondContact O-N 3.03Å
436A98.9Very high95.2Very high0 Ų013.9 Ų13.90%09%0.086CC..EExtended strand (participates in β ladder)trans-108.513417500000110.1V309 G310 L332 I336 W338 G421 V422V309-A436 HydrophobicContact CB-CB 4.16Å; V309-A436 PolarHBondContact N-O 3.31Å; G310-A436 PolarHBondContact O-N 3.33Å; L332-A436 HydrophobicContact CD1-CB 4.1Å; L332-A436 HydrophobicContact CD2-CB 3.89Å; L332-A436 HydrophobicContact CG-CB 4.2Å; I336-A436 HydrophobicContact CD1-CB 3.41Å; I336-A436 VanDerWaalsContact CD1-CB 3.41Å; W338-A436 HydrophobicContact CE3-CB 4.23Å; W338-A436 HydrophobicContact CH2-CB 4.2Å; W338-A436 HydrophobicContact CZ3-CB 3.74Å; G421-A436 WeakPolarHBondContact O-CA 3.48Å; V422-A436 HydrophobicContact CG2-CB 4.46Å
437V98.7Very high95Very high0 Ų014.7 Ų14.70%09%0.091CC..EExtended strand (participates in β ladder)trans-131.3153176-65.40000110.5I8 A306 R307 I308 L391 L394 V395 L398 G421I8-V437 HydrophobicContact CD1-CG1 4.07Å; A306-V437 HydrophobicContact CB-CB 4.06Å; R307-V437 CarbonylContact O-C 3.48Å; R307-V437 VanDerWaalsContact O-CA 3.26Å; R307-V437 WeakPolarHBondContact O-CA 3.42Å; I308-V437 HydrophobicContact CG1-CG1 4.18Å; L391-V437 HydrophobicContact CD1-CG1 3.86Å; L391-V437 HydrophobicContact CD1-CG2 4.28Å; L394-V437 HydrophobicContact CD2-CG2 3.65Å; L394-V437 HydrophobicContact CG-CG2 4.08Å; V395-V437 HydrophobicContact CG1-CG2 4.25Å; L398-V437 HydrophobicContact CD1-CG2 3.88Å; G421-V437 PolarHBondContact N-O 2.97Å; G421-V437 PolarHBondContact O-N 3.01Å
438E97.6Very high94.8Very high30 Ų3015.6 Ų15.614%0.1410%0.097CC..EExtended strand (participates in β ladder)trans-135.3150.2171.668.9178.5-157.100111.9A306 R307 V309 W338 V418 R419 R420A306-E438 CarbonylContact C-O 3.55Å; A306-E438 VanDerWaalsContact CA-O 3.24Å; A306-E438 WeakPolarHBondContact CA-O 3.19Å; A306-E438 WeakPolarHBondContact CB-O 3.3Å; R307-E438 HydrophobicContact CB-CG 4.2Å; R307-E438 IonicContact CZ-OE1 2.96Å; R307-E438 PolarHBondContact N-O 3.38Å; R307-E438 IonicContact NE-OE1 3.53Å; R307-E438 PolarHBondContact NE-OE1 3.48Å; R307-E438 IonicContact NH2-OE1 3.43Å; R307-E438 PolarHBondContact NH2-OE1 3.45Å; R307-E438 IonicContact NH2-OE2 3.86Å; R307-E438 PolarHBondContact NH2-OE2 2.74Å; R307-E438 PolarHBondContact O-N 3.25Å; V309-E438 HydrophobicContact CG2-CB 4.22Å; V309-E438 HydrophobicContact CG2-CG 3.83Å; W338-E438 HydrophobicContact CH2-CB 4.19Å; W338-E438 HydrophobicContact CZ2-CB 4.33Å; V418-E438 HydrophobicContact CG1-CB 3.71Å; V418-E438 HydrophobicContact CG1-CG 4.1Å; R419-E438 CarbonylContact O-C 3.55Å; R419-E438 WeakPolarHBondContact O-CA 3.43Å; R420-E438 HydrophobicContact CG-CB 4.32Å
439T95.4Very high94.8Very high4 Ų416.3 Ų16.33%0.02510%0.099CC..  trans-68.1149.8175.257.90000111L398 C402 R419L398-T439 HydrophobicContact CB-CG2 3.62Å; C402-T439 PolarHBondContact SG-OG1 2.91Å; R419-T439 HydrophobicContact CB-CG2 3.96Å; R419-T439 PolarHBondContact N-OG1 3.47Å; R419-T439 PolarHBondContact O-N 3.23Å
440C87.7Confident94.8Very high19 Ų1915.9 Ų15.913%0.1289%0.089CC..  trans-95.5118.5178.3-61.20000109.4M1 P304M1-C440 HydrophobicContact CE-CB 3.87Å; P304-C440 HydrophobicContact CG-CB 3.87Å
441V68.5Low94.6Very high72 Ų7217.1 Ų17.144%0.43610%0.095SC..  trans-78.70174.1171.10000111.2R303 S415 T416 V418R303-V441 PolarHBondContact NH1-OXT 3.36Å; S415-V441 WeakPolarHBondContact O-CG1 3.45Å; T416-V441 HydrophobicContact CG2-CG1 4.4Å; T416-V441 WeakPolarHBondContact O-CG2 3.23Å; V418-V441 HydrophobicContact CB-CG2 4.46Å; V418-V441 HydrophobicContact CG2-CG2 3.51Å

Retrieved 441 of 441 residues in 606.1 ms (Link to these results)

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