A0A077ZLM2_TRITR Loading...

Glyco hydro 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 485 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
1M49Very low56.9Low227 Ų227160.6 Ų160.6100%1.11882%0.817SS**  0990-69.1179-138.600106.9H3M1-H3 PolarHBondContact O-N 3.03Å
2T44.8Very low60Low141 Ų141157.8 Ų157.887%0.86580%0.804SS**  trans-71.3105.6174.635.20000108L4T2-L4 PolarHBondContact O-N 3.2Å
3H47.9Very low62.9Low181 Ų181149.1 Ų149.184%0.83876%0.763SS**  trans-65.499.3170.1-76.6-73.2000108.4M1 E5M1-H3 PolarHBondContact O-N 3.03Å; H3-E5 PolarHBondContact O-N 2.86Å
4L51.5Low65.4Low164 Ų164138.6 Ų138.686%0.85971%0.71SS**  trans-68.6109.3160-80.5158.1000106.4T2T2-L4 PolarHBondContact O-N 3.2Å
5E53.7Low67.6Low172 Ų172133.1 Ų133.180%0.80469%0.686SS**  trans-53.5139.4165-77.4-178.3154.500108.8H3 M7H3-E5 PolarHBondContact O-N 2.86Å; E5-M7 PolarHBondContact O-N 2.97Å
6P51.5Low69.5Low116 Ų116135.8 Ų135.875%0.75369%0.691SS**  trans-63.4111.5174.926.1-29.4000107.4I8P6-I8 VanDerWaalsContact C-N 3.35Å; P6-I8 PolarHBondContact O-N 3.26Å
7M52.5Low71.2Confident168 Ų168135.5 Ų135.583%0.82869%0.692SS**  trans-55.8104.4165.4-88.4-179.462.100107E5 V9E5-M7 PolarHBondContact O-N 2.97Å; M7-V9 PolarHBondContact O-N 2.81Å
8I53.4Low72.8Confident150 Ų150128.1 Ų128.177%0.76965%0.654SS**  trans-6690.9167.2-62.2173.2000105.2P6 K10P6-I8 VanDerWaalsContact C-N 3.35Å; P6-I8 PolarHBondContact O-N 3.26Å; I8-K10 VanDerWaalsContact C-N 3.27Å; I8-K10 PolarHBondContact O-N 2.89Å
9V56.8Low74.1Confident119 Ų119122.3 Ų122.372%0.72162%0.624SS**  trans-67.294.4170.4-175.80000105.7M7 K11M7-V9 PolarHBondContact O-N 2.81Å; V9-K11 PolarHBondContact O-N 3.29Å
10K77.3Confident75.4Confident176 Ų176116.2 Ų116.277%0.76559%0.593SS**PPolyproline II helixtrans-55.9129.6170.4-78.5-174.8176.4178.80107.4I8 L12I8-K10 VanDerWaalsContact C-N 3.27Å; I8-K10 PolarHBondContact O-N 2.89Å; K10-L12 PolarHBondContact O-N 3.22Å
11K87.4Confident76.5Confident153 Ų153110.6 Ų110.667%0.66557%0.565SS**PPolyproline II helixtrans-50.9125.1175-172.7-172.8-179.6-163.20108.8V9 E483V9-K11 PolarHBondContact O-N 3.29Å; K11-E483 VanDerWaalsContact CE-OE2 3.26Å; K11-E483 WeakPolarHBondContact CE-OE2 3.45Å; K11-E483 IonicContact NZ-OE2 3.57Å; K11-E483 PolarHBondContact NZ-OE2 3.16Å
12L94.8Very high78.9Confident126 Ų12699.8 Ų99.866%0.6651%0.512SS*.PPolyproline II helixtrans-67.7137.1175.5-70.1170.2000109.3K10 T419K10-L12 PolarHBondContact O-N 3.22Å; L12-T419 HydrophobicContact CB-CG2 4.34Å; L12-T419 WeakPolarHBondContact CD1-O 3.45Å
13T97Very high81.5Confident45 Ų4593.1 Ų93.128%0.27647%0.47SS..  trans-133.6170.9178.866.80000109.3E483T13-E483 HydrophobicContact CG2-CG 3.96Å
14L98.4Very high83.9Confident3 Ų384.5 Ų84.52%0.01643%0.43CS..  trans-57156.8168.3-67.5173.2000111.6F18 W20 M414 K415 V418 N481L14-F18 HydrophobicContact CB-CB 4.3Å; L14-F18 HydrophobicContact CB-CD2 4.36Å; L14-F18 HydrophobicContact CB-CG 4.3Å; L14-F18 HydrophobicContact CD1-CD1 4.05Å; L14-F18 HydrophobicContact CD1-CD2 4.31Å; L14-F18 HydrophobicContact CD1-CE1 4.08Å; L14-F18 HydrophobicContact CD1-CE2 4.35Å; L14-F18 HydrophobicContact CD1-CG 4.14Å; L14-F18 HydrophobicContact CD1-CZ 4.24Å; L14-F18 HydrophobicContact CD2-CD2 4.15Å; L14-F18 HydrophobicContact CD2-CE2 4.06Å; L14-W20 HydrophobicContact CD1-CH2 3.94Å; L14-W20 HydrophobicContact CD1-CZ2 3.42Å; L14-W20 VanDerWaalsContact CD1-CZ2 3.42Å; L14-M414 HydrophobicContact CD1-CE 3.94Å; L14-K415 HydrophobicContact CD1-CG 3.97Å; L14-K415 HydrophobicContact CD2-CG 4.28Å; L14-K415 HydrophobicContact CG-CG 4.05Å; L14-V418 HydrophobicContact CD2-CB 3.78Å; L14-V418 HydrophobicContact CD2-CG1 3.81Å; L14-V418 HydrophobicContact CD2-CG2 3.85Å; L14-N481 PolarHBondContact O-ND2 3.13Å
15P98.2Very high86.1Confident55 Ų5576.7 Ų76.736%0.35739%0.39SS..  trans-49.7149.2170.2-26.735.1000112.1D17 F18 N481P15-D17 VanDerWaalsContact CB-OD1 3.31Å; P15-D17 WeakPolarHBondContact CB-OD1 3.16Å; P15-D17 PolarHBondContact O-N 2.66Å; P15-F18 WeakPolarHBondContact O-CB 3.3Å; P15-F18 PolarHBondContact O-N 3.34Å; P15-N481 PolarHBondContact O-ND2 3.3Å
16K98.3Very high88.3Confident177 Ų17768.5 Ų68.577%0.7735%0.352SS*.THydrogen-bonded Turntrans-70.3-23.1-177.7-66.6-58.7-177.9-168.70113
17D98.5Very high90.5Very high130 Ų13063.7 Ų63.770%0.69532%0.319SS*.THydrogen-bonded Turntrans-101.616.6178.158.8-26.1000112.6P15 L19P15-D17 VanDerWaalsContact CB-OD1 3.31Å; P15-D17 WeakPolarHBondContact CB-OD1 3.16Å; P15-D17 PolarHBondContact O-N 2.66Å; D17-L19 PolarHBondContact O-N 2.95Å
18F98.9Very high92.7Very high3 Ų355.9 Ų55.91%0.01328%0.28CS..  trans-56.2124.5175.8-170.7-93.2000111L14 P15 W20 M414 L425L14-F18 HydrophobicContact CB-CB 4.3Å; L14-F18 HydrophobicContact CB-CD2 4.36Å; L14-F18 HydrophobicContact CB-CG 4.3Å; L14-F18 HydrophobicContact CD1-CD1 4.05Å; L14-F18 HydrophobicContact CD1-CD2 4.31Å; L14-F18 HydrophobicContact CD1-CE1 4.08Å; L14-F18 HydrophobicContact CD1-CE2 4.35Å; L14-F18 HydrophobicContact CD1-CG 4.14Å; L14-F18 HydrophobicContact CD1-CZ 4.24Å; L14-F18 HydrophobicContact CD2-CD2 4.15Å; L14-F18 HydrophobicContact CD2-CE2 4.06Å; P15-F18 WeakPolarHBondContact O-CB 3.3Å; P15-F18 PolarHBondContact O-N 3.34Å; F18-W20 VanDerWaalsContact C-N 3.34Å; F18-W20 AromaticContact CD1-CD1 3.84Å; F18-W20 AromaticContact CD1-CD2 3.73Å; F18-W20 HydrophobicContact CD1-CD2 3.73Å; F18-W20 AromaticContact CD1-CE2 3.5Å; F18-W20 VanDerWaalsContact CD1-CE2 3.5Å; F18-W20 HydrophobicContact CD1-CE3 4.32Å; F18-W20 AromaticContact CD1-CG 3.99Å; F18-W20 HydrophobicContact CD1-CG 3.99Å; F18-W20 AromaticContact CD1-CZ2 3.97Å; F18-W20 HydrophobicContact CD1-CZ2 3.97Å; F18-W20 AromaticContact CD1-NE1 3.54Å; F18-W20 AromaticContact CE1-CD2 3.86Å; F18-W20 HydrophobicContact CE1-CD2 3.86Å; F18-W20 AromaticContact CE1-CE2 3.84Å; F18-W20 AromaticContact CE1-CE3 3.98Å; F18-W20 HydrophobicContact CE1-CE3 3.98Å; F18-W20 HydrophobicContact CE1-CG 4.46Å; F18-W20 HydrophobicContact CE1-CH2 4.14Å; F18-W20 HydrophobicContact CE1-CZ2 4.01Å; F18-W20 HydrophobicContact CE1-CZ3 4.11Å; F18-W20 PolarHBondContact O-N 3Å; F18-M414 HydrophobicContact CE1-CE 4Å; F18-M414 HydrophobicContact CE1-SD 4.45Å; F18-M414 HydrophobicContact CZ-CE 3.72Å; F18-M414 HydrophobicContact CZ-SD 3.81Å; F18-L425 HydrophobicContact CE2-CB 4.28Å; F18-L425 HydrophobicContact CE2-CD2 3.8Å; F18-L425 HydrophobicContact CE2-CG 3.81Å; F18-L425 HydrophobicContact CZ-CD2 3.89Å; F18-L425 HydrophobicContact CZ-CG 4.21Å
19L98.9Very high94.9Very high17 Ų1748.7 Ų48.79%0.08924%0.244CC..EExtended strand (participates in β ladder)trans-81.677.4-171.8-65171.3000111.3D17 K92 C93 Y180 F380 M426 G427 Y428D17-L19 PolarHBondContact O-N 2.95Å; L19-K92 HydrophobicContact CD2-CB 4.33Å; L19-C93 HydrophobicContact CB-CB 4.42Å; L19-C93 HydrophobicContact CD2-CB 4.43Å; L19-Y180 HydrophobicContact CD1-CD2 4.43Å; L19-Y180 HydrophobicContact CD1-CE1 4.09Å; L19-Y180 HydrophobicContact CD1-CE2 3.8Å; L19-F380 HydrophobicContact CB-CZ 4.13Å; L19-F380 HydrophobicContact CD1-CE2 4.18Å; L19-F380 HydrophobicContact CD1-CZ 4.22Å; L19-M426 WeakPolarHBondContact CB-O 3.47Å; L19-M426 PolarHBondContact N-O 3.08Å; L19-G427 VanDerWaalsContact O-CA 3.31Å; L19-G427 WeakPolarHBondContact O-CA 3.47Å; L19-Y428 PolarHBondContact O-N 2.71Å
20W98.9Very high96.9Very high0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-66.3144.1166.2-61.1101.6000111.3L14 F18 K92 C93 I411 M414 Y428 Y474 V477 I478 N481L14-W20 HydrophobicContact CD1-CH2 3.94Å; L14-W20 HydrophobicContact CD1-CZ2 3.42Å; L14-W20 VanDerWaalsContact CD1-CZ2 3.42Å; F18-W20 VanDerWaalsContact C-N 3.34Å; F18-W20 AromaticContact CD1-CD1 3.84Å; F18-W20 AromaticContact CD1-CD2 3.73Å; F18-W20 HydrophobicContact CD1-CD2 3.73Å; F18-W20 AromaticContact CD1-CE2 3.5Å; F18-W20 VanDerWaalsContact CD1-CE2 3.5Å; F18-W20 HydrophobicContact CD1-CE3 4.32Å; F18-W20 AromaticContact CD1-CG 3.99Å; F18-W20 HydrophobicContact CD1-CG 3.99Å; F18-W20 AromaticContact CD1-CZ2 3.97Å; F18-W20 HydrophobicContact CD1-CZ2 3.97Å; F18-W20 AromaticContact CD1-NE1 3.54Å; F18-W20 AromaticContact CE1-CD2 3.86Å; F18-W20 HydrophobicContact CE1-CD2 3.86Å; F18-W20 AromaticContact CE1-CE2 3.84Å; F18-W20 AromaticContact CE1-CE3 3.98Å; F18-W20 HydrophobicContact CE1-CE3 3.98Å; F18-W20 HydrophobicContact CE1-CG 4.46Å; F18-W20 HydrophobicContact CE1-CH2 4.14Å; F18-W20 HydrophobicContact CE1-CZ2 4.01Å; F18-W20 HydrophobicContact CE1-CZ3 4.11Å; F18-W20 PolarHBondContact O-N 3Å; W20-K92 HydrophobicContact CB-CG 4.24Å; W20-K92 WeakPolarHBondContact O-CA 3.5Å; W20-K92 VanDerWaalsContact O-CB 3.29Å; W20-K92 WeakPolarHBondContact O-CB 3.27Å; W20-K92 PolarHBondContact O-N 2.88Å; W20-C93 PolarHBondContact O-N 3.15Å; W20-I411 HydrophobicContact CH2-CG2 3.94Å; W20-I411 HydrophobicContact CZ3-CD1 4.27Å; W20-I411 HydrophobicContact CZ3-CG1 4.38Å; W20-I411 HydrophobicContact CZ3-CG2 4.48Å; W20-M414 HydrophobicContact CH2-CE 3.7Å; W20-M414 HydrophobicContact CZ3-CE 4.04Å; W20-Y428 AromaticContact CE3-CD1 3.9Å; W20-Y428 HydrophobicContact CE3-CD1 3.9Å; W20-Y428 AromaticContact CZ3-CD1 3.65Å; W20-Y428 HydrophobicContact CZ3-CD1 3.65Å; W20-Y428 HydrophobicContact CZ3-CE1 4.41Å; W20-Y428 HydrophobicContact CZ3-CG 4.35Å; W20-Y474 HydrophobicContact CE3-CE2 4.23Å; W20-Y474 HydrophobicContact CZ3-CE2 4.39Å; W20-V477 HydrophobicContact CE3-CG1 4.41Å; W20-V477 HydrophobicContact CH2-CG1 3.85Å; W20-V477 HydrophobicContact CZ2-CG1 4.3Å; W20-V477 HydrophobicContact CZ3-CG1 3.92Å; W20-I478 HydrophobicContact CB-CB 4.46Å; W20-I478 HydrophobicContact CB-CD1 4.1Å; W20-I478 HydrophobicContact CB-CG1 3.72Å; W20-I478 HydrophobicContact CB-CG2 4.08Å; W20-I478 HydrophobicContact CD2-CG1 4.43Å; W20-I478 HydrophobicContact CG-CB 4.49Å; W20-I478 HydrophobicContact CG-CG1 3.99Å; W20-I478 HydrophobicContact CG-CG2 4.23Å; W20-N481 PolarHBondContact NE1-OD1 2.89Å
21G98.9Very high97.9Very high0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-173.9-146.9179.800000114C93 Y428 P430 Y474G21-C93 WeakPolarHBondContact CA-O 3.4Å; G21-Y428 PolarHBondContact N-O 2.85Å; G21-Y428 VanDerWaalsContact N-O 3.13Å; G21-P430 VanDerWaalsContact O-CD 3.28Å; G21-P430 WeakPolarHBondContact O-CD 3.43Å; G21-Y474 WeakPolarHBondContact O-CE1 3.11Å; G21-Y474 PolarHBondContact O-OH 2.84Å
22G98.9Very high98.5Very high0 Ų028.5 Ų28.50%015%0.152CC..EExtended strand (participates in β ladder)trans-154.9154.9174.800000109.9F91 F94 R95 P430G22-F91 VanDerWaalsContact N-CE2 3.29Å; G22-F94 WeakPolarHBondContact O-CD2 3.39Å; G22-R95 PolarHBondContact O-N 3.2Å; G22-P430 WeakPolarHBondContact CA-O 3.47Å
23A98.9Very high98.7Very high0 Ų024.9 Ų24.90%013%0.129CC..EExtended strand (participates in β ladder)trans-125.4139.8-173.100000112.3R95 V382 P430 W431 G432A23-R95 CarbonylContact C-O 3.51Å; A23-R95 VanDerWaalsContact CA-O 3.28Å; A23-R95 WeakPolarHBondContact CA-O 3.41Å; A23-R95 HydrophobicContact CB-CB 3.92Å; A23-R95 HydrophobicContact CB-CG 4.41Å; A23-V382 WeakPolarHBondContact CB-O 3.2Å; A23-P430 PolarHBondContact N-O 3.05Å; A23-W431 HydrophobicContact CB-CE3 4.15Å; A23-W431 CarbonylContact O-C 3.48Å; A23-G432 WeakPolarHBondContact O-CA 3.37Å; A23-G432 PolarHBondContact O-N 2.94Å
24V98.9Very high98.7Very high0 Ų026.9 Ų26.90%014%0.138CC..  trans-143.6179.3170.7-61.40000109.8V29 F94 R95 T96 I434V24-V29 HydrophobicContact CB-CG1 3.86Å; V24-V29 HydrophobicContact CB-CG2 4.21Å; V24-V29 HydrophobicContact CG1-CG1 3.9Å; V24-V29 HydrophobicContact CG2-CG1 4.42Å; V24-V29 HydrophobicContact CG2-CG2 3.91Å; V24-F94 HydrophobicContact CG1-CE2 4.46Å; V24-F94 HydrophobicContact CG2-CE1 4.3Å; V24-F94 HydrophobicContact CG2-CE2 3.93Å; V24-F94 HydrophobicContact CG2-CZ 3.42Å; V24-F94 VanDerWaalsContact CG2-CZ 3.42Å; V24-R95 PolarHBondContact N-O 3.4Å; V24-T96 WeakPolarHBondContact O-CA 3.42Å; V24-I434 HydrophobicContact CG1-CG2 4.13Å
25A98.7Very high98.8Very high0 Ų032.5 Ų32.50%016%0.162CC..  trans-127144.1166.600000109.6H27 Q28 V29 H140 W431A25-H27 PolarHBondContact O-N 2.98Å; A25-Q28 HydrophobicContact CB-CG 4.4Å; A25-Q28 PolarHBondContact O-N 2.84Å; A25-V29 PolarHBondContact O-N 2.92Å; A25-H140 HydrophobicContact CB-CB 4.32Å; A25-W431 HydrophobicContact CB-CH2 4.04Å
26A98.9Very high98.8Very high1 Ų130.4 Ų30.41%0.00815%0.151CC..Hα-helixtrans-52.5-54.1-174.900000112.3Q28 V29 E30 S97 A99 E142A26-Q28 PolarHBondContact O-N 3.4Å; A26-V29 PolarHBondContact O-N 3.18Å; A26-V29 VanDerWaalsContact O-N 3.1Å; A26-E30 HydrophobicContact CB-CG 4.01Å; A26-E30 WeakPolarHBondContact CB-OE1 3.24Å; A26-E30 VanDerWaalsContact O-CB 3.31Å; A26-E30 WeakPolarHBondContact O-CB 3.33Å; A26-E30 PolarHBondContact O-N 3.36Å; A26-S97 WeakPolarHBondContact CB-OG 3.45Å; A26-S97 PolarHBondContact N-OG 2.69Å; A26-A99 HydrophobicContact CB-CB 3.94Å; A26-E142 WeakPolarHBondContact CB-OE2 3.22Å
27H98.8Very high98.8Very high15 Ų1524.2 Ų24.27%0.06914%0.137CC..Hα-helixtrans-59.6-16.2178.579.7-78.1000115.4A25 C43 N69 H140 E142A25-H27 PolarHBondContact O-N 2.98Å; H27-C43 HydrophobicContact CB-CB 4.44Å; H27-C43 PolarHBondContact CD2-SG 3.14Å; H27-N69 PolarHBondContact CD2-ND2 3.02Å; H27-N69 WeakPolarHBondContact O-CB 3.38Å; H27-N69 PolarHBondContact O-ND2 2.95Å; H27-H140 PolarHBondContact CE1-O 3.13Å; H27-H140 PolarHBondContact ND1-O 2.8Å; H27-E142 HydrophobicContact CB-CB 4.02Å; H27-E142 PolarHBondContact N-OE2 3.25Å; H27-E142 VanDerWaalsContact N-OE2 3.15Å
28Q98.8Very high98.8Very high3 Ų319 Ų191%0.01411%0.108CC..Hα-helixtrans-96.8-12.3-179.4-64.5-179.7-101.700113.5A25 A26 W431 C436 V437A25-Q28 HydrophobicContact CB-CG 4.4Å; A25-Q28 PolarHBondContact O-N 2.84Å; A26-Q28 PolarHBondContact O-N 3.4Å; Q28-W431 VanDerWaalsContact OE1-CH2 3.27Å; Q28-C436 HydrophobicContact CB-CB 4.3Å; Q28-C436 WeakPolarHBondContact O-CB 3.31Å; Q28-V437 PolarHBondContact NE2-O 3.14Å; Q28-V437 PolarHBondContact O-N 2.86Å; Q28-V437 VanDerWaalsContact O-N 3.1Å
29V98.9Very high98.8Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-131.3-38.7-177.4-59.50000114.7V24 A25 A26 G31 V73 D74 F75 C436V24-V29 HydrophobicContact CB-CG1 3.86Å; V24-V29 HydrophobicContact CB-CG2 4.21Å; V24-V29 HydrophobicContact CG1-CG1 3.9Å; V24-V29 HydrophobicContact CG2-CG1 4.42Å; V24-V29 HydrophobicContact CG2-CG2 3.91Å; A25-V29 PolarHBondContact O-N 2.92Å; A26-V29 PolarHBondContact O-N 3.18Å; A26-V29 VanDerWaalsContact O-N 3.1Å; V29-G31 PolarHBondContact O-N 3.02Å; V29-V73 HydrophobicContact CB-CG2 3.82Å; V29-V73 HydrophobicContact CG1-CG2 4.06Å; V29-V73 CarbonylContact O-C 3.52Å; V29-V73 WeakPolarHBondContact O-CG2 3.43Å; V29-V73 PolarHBondContact O-N 3.43Å; V29-D74 PolarHBondContact O-N 3.27Å; V29-F75 HydrophobicContact CB-CB 3.87Å; V29-F75 HydrophobicContact CB-CG 4.41Å; V29-F75 HydrophobicContact CG2-CB 3.92Å; V29-F75 HydrophobicContact CG2-CD1 4.19Å; V29-F75 HydrophobicContact CG2-CG 4.08Å; V29-F75 VanDerWaalsContact O-CB 3.23Å; V29-F75 WeakPolarHBondContact O-CB 3.18Å; V29-F75 PolarHBondContact O-N 3.23Å; V29-C436 HydrophobicContact CG1-CB 3.49Å; V29-C436 VanDerWaalsContact CG1-CB 3.49Å
30E98.9Very high98.8Very high4 Ų420.8 Ų20.82%0.01912%0.122CC..  trans-59.7-49.7-169.1-76.8-173.9-169.100112.1A26 D74 F75 Y76 R102 F119 Y120A26-E30 HydrophobicContact CB-CG 4.01Å; A26-E30 WeakPolarHBondContact CB-OE1 3.24Å; A26-E30 VanDerWaalsContact O-CB 3.31Å; A26-E30 WeakPolarHBondContact O-CB 3.33Å; A26-E30 PolarHBondContact O-N 3.36Å; E30-D74 CarbonylContact O-C 3.53Å; E30-D74 WeakPolarHBondContact O-CA 3.26Å; E30-F75 PolarHBondContact O-N 2.83Å; E30-Y76 WeakPolarHBondContact O-CB 3.47Å; E30-Y76 PolarHBondContact O-N 3.29Å; E30-R102 IonicContact OE2-CZ 2.81Å; E30-R102 IonicContact OE2-NE 3.26Å; E30-R102 PolarHBondContact OE2-NE 3.44Å; E30-R102 IonicContact OE2-NH2 3.91Å; E30-F119 HydrophobicContact CG-CE1 4.49Å; E30-F119 HydrophobicContact CG-CZ 4.5Å; E30-F119 WeakPolarHBondContact OE1-CE1 3.14Å; E30-Y120 WeakPolarHBondContact OE1-CE1 3.32Å; E30-Y120 PolarHBondContact OE1-OH 3.11Å; E30-Y120 PolarHBondContact OE2-OH 3.5Å
31G98.7Very high98.8Very high4 Ų420.8 Ų20.84%0.04112%0.123CC..  trans63-148.7-16400000110.5V29 W33 H70 E71 R102V29-G31 PolarHBondContact O-N 3.02Å; G31-W33 PolarHBondContact O-N 3.11Å; G31-W33 VanDerWaalsContact O-N 3.08Å; G31-H70 CarbonylContact C-O 3.43Å; G31-H70 WeakPolarHBondContact CA-O 3.44Å; G31-E71 WeakPolarHBondContact CA-O 3.48Å; G31-R102 PolarHBondContact O-NH2 3.21Å
32G98.7Very high98.8Very high15 Ų1520.8 Ų20.816%0.15512%0.123CC..  trans52.136.7-178.700000112.3N34 K35 H70 R102G32-N34 PolarHBondContact O-N 3.31Å; G32-K35 WeakPolarHBondContact O-CB 3.43Å; G32-K35 PolarHBondContact O-N 2.93Å; G32-H70 PolarHBondContact N-O 3.42Å; G32-R102 PolarHBondContact O-NH2 2.82Å
33W98.8Very high98.8Very high51 Ų5120.9 Ų20.919%0.19312%0.123CC..THydrogen-bonded Turntrans-61.5-23.4-16175.5-82.6000115G31 K38 P40 D44 V61 H70G31-W33 PolarHBondContact O-N 3.11Å; G31-W33 VanDerWaalsContact O-N 3.08Å; W33-K38 VanDerWaalsContact O-CD 3.24Å; W33-K38 WeakPolarHBondContact O-CD 3.31Å; W33-K38 WeakPolarHBondContact O-CG 3.39Å; W33-K38 PolarHBondContact O-NZ 3.36Å; W33-P40 HydrophobicContact CZ3-CB 4.26Å; W33-D44 WeakPolarHBondContact CB-OD1 3.49Å; W33-D44 HydrophobicContact CE3-CB 3.91Å; W33-D44 HydrophobicContact CZ3-CB 4.28Å; W33-V61 HydrophobicContact CH2-CB 4.35Å; W33-V61 HydrophobicContact CH2-CG1 4.09Å; W33-V61 HydrophobicContact CH2-CG2 3.84Å; W33-V61 HydrophobicContact CZ2-CG1 4.27Å; W33-V61 HydrophobicContact CZ3-CG2 4.07Å; W33-H70 HydrophobicContact CB-CB 4.47Å; W33-H70 AromaticContact CD1-CD2 3.9Å; W33-H70 AromaticContact CD1-CG 3.44Å; W33-H70 VanDerWaalsContact CD1-CG 3.44Å; W33-H70 AromaticContact CD1-ND1 3.93Å; W33-H70 AromaticContact CD2-CD2 3.69Å; W33-H70 AromaticContact CD2-CG 3.9Å; W33-H70 AromaticContact CD2-NE2 3.84Å; W33-H70 AromaticContact CE2-CD2 3.92Å; W33-H70 AromaticContact CE2-CE1 3.64Å; W33-H70 AromaticContact CE2-CG 3.75Å; W33-H70 AromaticContact CE2-ND1 3.58Å; W33-H70 AromaticContact CE2-NE2 3.86Å; W33-H70 HydrophobicContact CG-CB 3.89Å; W33-H70 AromaticContact CG-CD2 3.68Å; W33-H70 AromaticContact CG-CG 3.71Å; W33-H70 AromaticContact CZ2-CE1 3.71Å; W33-H70 AromaticContact CZ2-ND1 3.97Å; W33-H70 AromaticContact NE1-CD2 3.99Å; W33-H70 AromaticContact NE1-CE1 3.94Å; W33-H70 AromaticContact NE1-CG 3.41Å; W33-H70 AromaticContact NE1-ND1 3.38Å; W33-H70 PolarHBondContact NE1-ND1 3.08Å
34N98.7Very high98.8Very high87 Ų8721 Ų2147%0.46512%0.124SC..THydrogen-bonded Turntrans-120.419.7178.465.2-0.4000112.4G32G32-N34 PolarHBondContact O-N 3.31Å
35K98.8Very high98.8Very high120 Ų12021 Ų2152%0.52212%0.124SC..SBendtrans-103.5150.7178.5-58.5-53.7-175.883.30111.2G32 K38 Y76 R102G32-K35 WeakPolarHBondContact O-CB 3.43Å; G32-K35 PolarHBondContact O-N 2.93Å; K35-K38 WeakPolarHBondContact O-CB 3.39Å; K35-K38 PolarHBondContact O-N 3.22Å; K35-Y76 HydrophobicContact CB-CE1 4.2Å; K35-R102 PolarHBondContact O-NH1 3.46Å
36G98.3Very high98.8Very high11 Ų1121.1 Ų21.111%0.11312%0.124CC..THydrogen-bonded Turntrans65.135.9177.800000114.4K38 N113 E115G36-K38 PolarHBondContact O-N 3.18Å; G36-N113 PolarHBondContact O-ND2 3.47Å; G36-E115 WeakPolarHBondContact CA-OE1 3.38Å; G36-E115 VanDerWaalsContact CA-OE2 3.3Å; G36-E115 WeakPolarHBondContact CA-OE2 3.14Å
37G98.5Very high98.7Very high47 Ų4721.4 Ų21.449%0.48513%0.126SC..THydrogen-bonded Turntrans73.23.2-177.400000115.4G39 P105G37-G39 PolarHBondContact O-N 2.89Å; G37-P105 WeakPolarHBondContact O-CG 3.2Å
38K98.9Very high98.7Very high21 Ų2121.8 Ų21.89%0.09113%0.134CC..PPolyproline II helixtrans-58.7130.8179.1-173.3-177.6163-58.50111.5W33 K35 G36 D44 T101 R102W33-K38 VanDerWaalsContact O-CD 3.24Å; W33-K38 WeakPolarHBondContact O-CD 3.31Å; W33-K38 WeakPolarHBondContact O-CG 3.39Å; W33-K38 PolarHBondContact O-NZ 3.36Å; K35-K38 WeakPolarHBondContact O-CB 3.39Å; K35-K38 PolarHBondContact O-N 3.22Å; G36-K38 PolarHBondContact O-N 3.18Å; K38-D44 IonicContact NZ-OD2 2.65Å; K38-D44 PolarHBondContact NZ-OD2 2.69Å; K38-T101 WeakPolarHBondContact CA-O 3.42Å; K38-T101 VanDerWaalsContact CE-OG1 3.24Å; K38-T101 WeakPolarHBondContact CE-OG1 3.38Å; K38-T101 PolarHBondContact NZ-OG1 2.72Å; K38-R102 HydrophobicContact CB-CG 3.95Å; K38-R102 HydrophobicContact CD-CG 3.7Å; K38-R102 HydrophobicContact CG-CG 3.69Å
39G98.8Very high98.5Very high6 Ų622.4 Ų22.46%0.06214%0.141CC..PPolyproline II helixtrans-83.9166172.300000113.5G37 S41 T101G37-G39 PolarHBondContact O-N 2.89Å; G39-S41 PolarHBondContact O-N 2.78Å; G39-T101 PolarHBondContact N-O 2.77Å; G39-T101 VanDerWaalsContact O-CB 3.24Å; G39-T101 WeakPolarHBondContact O-CB 3.48Å
40P98.8Very high98.3Very high51 Ų5124 Ų2433%0.33116%0.155SC..PPolyproline II helixtrans-66.8128.2173.527.3-32.2000110.7W33 D44 L145W33-P40 HydrophobicContact CZ3-CB 4.26Å; P40-D44 WeakPolarHBondContact CA-OD2 3.29Å; P40-D44 HydrophobicContact CB-CB 4.27Å; P40-L145 HydrophobicContact CB-CB 4.27Å; P40-L145 HydrophobicContact CB-CD2 4.19Å; P40-L145 HydrophobicContact CG-CB 4.33Å; P40-L145 HydrophobicContact CG-CD2 4.4Å; P40-L145 VanDerWaalsContact O-CB 3.28Å; P40-L145 WeakPolarHBondContact O-CB 3.33Å; P40-L145 PolarHBondContact O-N 2.81Å
41S98.9Very high97.7Very high1 Ų131.5 Ų31.51%0.00719%0.189CC..BIsolated β-bridgetrans-87.7172.7166.578.70000110.8G39 C43 D44 E142 M143G39-S41 PolarHBondContact O-N 2.78Å; S41-C43 PolarHBondContact O-N 2.74Å; S41-C43 PolarHBondContact OG-N 2.81Å; S41-C43 VanDerWaalsContact OG-N 3.16Å; S41-D44 PolarHBondContact N-OD2 2.92Å; S41-D44 WeakPolarHBondContact O-CB 3.32Å; S41-D44 PolarHBondContact O-N 3.34Å; S41-D44 VanDerWaalsContact O-N 3.08Å; S41-D44 PolarHBondContact OG-N 2.66Å; S41-D44 PolarHBondContact OG-OD2 2.7Å; S41-E142 WeakPolarHBondContact CB-O 3.28Å; S41-M143 VanDerWaalsContact CA-O 3.31Å; S41-M143 WeakPolarHBondContact CA-O 3.34Å
42I98.8Very high97.1Very high0 Ų034.9 Ų34.90%022%0.224CC..G310 helixtrans-55.7-32.1169.956167.2000113.2D44 V45 M143 V148 Y200I42-D44 VanDerWaalsContact C-N 3.33Å; I42-V45 WeakPolarHBondContact O-CG2 3.22Å; I42-M143 HydrophobicContact CD1-CG 4.17Å; I42-M143 HydrophobicContact CG1-CG 4.34Å; I42-M143 HydrophobicContact CG2-CG 3.8Å; I42-M143 PolarHBondContact N-O 2.98Å; I42-V148 HydrophobicContact CG2-CG2 3.57Å; I42-Y200 HydrophobicContact CB-CE1 3.82Å; I42-Y200 HydrophobicContact CB-CE2 4.4Å; I42-Y200 WeakPolarHBondContact CD1-O 3.47Å; I42-Y200 HydrophobicContact CG2-CE2 4.41Å; I42-Y200 PolarHBondContact O-OH 2.94Å
43C98.7Very high96.9Very high2 Ų238.2 Ų38.21%0.01424%0.241CC..G310 helixtrans-78.5-17.5178-69.40000113.4H27 S41 V45 L46 N69 F141H27-C43 HydrophobicContact CB-CB 4.44Å; H27-C43 PolarHBondContact CD2-SG 3.14Å; S41-C43 PolarHBondContact O-N 2.74Å; S41-C43 PolarHBondContact OG-N 2.81Å; S41-C43 VanDerWaalsContact OG-N 3.16Å; C43-V45 PolarHBondContact O-N 3.45Å; C43-L46 PolarHBondContact O-N 2.73Å; C43-N69 HydrophobicContact CB-CB 4.3Å; C43-F141 PolarHBondContact SG-O 3.44Å
44D98.8Very high96.7Very high3 Ų340.3 Ų40.32%0.01626%0.261CS..G310 helixtrans-74-9.3177.3-67-41.2000112.5W33 K38 P40 S41 I42 H70W33-D44 WeakPolarHBondContact CB-OD1 3.49Å; W33-D44 HydrophobicContact CE3-CB 3.91Å; W33-D44 HydrophobicContact CZ3-CB 4.28Å; K38-D44 IonicContact NZ-OD2 2.65Å; K38-D44 PolarHBondContact NZ-OD2 2.69Å; P40-D44 WeakPolarHBondContact CA-OD2 3.29Å; P40-D44 HydrophobicContact CB-CB 4.27Å; S41-D44 PolarHBondContact N-OD2 2.92Å; S41-D44 WeakPolarHBondContact O-CB 3.32Å; S41-D44 PolarHBondContact O-N 3.34Å; S41-D44 VanDerWaalsContact O-N 3.08Å; S41-D44 PolarHBondContact OG-N 2.66Å; S41-D44 PolarHBondContact OG-OD2 2.7Å; I42-D44 VanDerWaalsContact C-N 3.33Å; D44-H70 PolarHBondContact O-NE2 3.05Å; D44-H70 IonicContact OD1-CD2 3.78Å; D44-H70 PolarHBondContact OD1-CD2 2.69Å
45V98.7Very high96.7Very high0 Ų036.9 Ų36.90%024%0.242CC..G310 helixtrans-117.317.4171.6-65.10000112.7I42 C43 T58 V61 Y67 L145 Y200I42-V45 WeakPolarHBondContact O-CG2 3.22Å; C43-V45 PolarHBondContact O-N 3.45Å; V45-T58 WeakPolarHBondContact CB-O 3.39Å; V45-T58 PolarHBondContact O-N 2.92Å; V45-T58 PolarHBondContact O-OG1 3.48Å; V45-V61 HydrophobicContact CG1-CG2 3.76Å; V45-Y67 VanDerWaalsContact C-CE1 3.49Å; V45-L145 HydrophobicContact CB-CD2 4.49Å; V45-L145 HydrophobicContact CG1-CD2 3.62Å; V45-L145 HydrophobicContact CG2-CD1 3.82Å; V45-L145 HydrophobicContact CG2-CD2 4.04Å; V45-Y200 WeakPolarHBondContact CG2-OH 3.01Å
46L98.8Very high96.7Very high1 Ų135.9 Ų35.91%0.00524%0.239CC..BIsolated β-bridgetrans-104.7109.7178.1-171.566.5000110.4C43 R55 E56 I57 L197C43-L46 PolarHBondContact O-N 2.73Å; L46-R55 HydrophobicContact CD1-CB 3.79Å; L46-R55 HydrophobicContact CG-CB 3.96Å; L46-R55 PolarHBondContact O-NH2 3.48Å; L46-E56 WeakPolarHBondContact CA-O 3.21Å; L46-I57 HydrophobicContact CD1-CG1 3.65Å; L46-L197 HydrophobicContact CD1-CD2 3.84Å
47T98.5Very high96.7Very high8 Ų838.7 Ų38.75%0.04925%0.251CS..  trans-67.3162.4-173.370.40000112.5R55 E56 T58 K65 Y66 Y67T47-R55 VanDerWaalsContact O-CB 3.27Å; T47-R55 WeakPolarHBondContact O-CB 3.38Å; T47-R55 WeakPolarHBondContact O-CG 3.27Å; T47-R55 PolarHBondContact O-NE 2.89Å; T47-R55 PolarHBondContact O-NH2 3.4Å; T47-E56 HydrophobicContact CG2-CB 4.13Å; T47-E56 PolarHBondContact N-O 2.92Å; T47-E56 WeakPolarHBondContact OG1-CB 3.46Å; T47-E56 PolarHBondContact OG1-N 2.86Å; T47-T58 HydrophobicContact CG2-CG2 3.91Å; T47-K65 HydrophobicContact CG2-CB 4.31Å; T47-K65 HydrophobicContact CG2-CD 4.05Å; T47-K65 HydrophobicContact CG2-CG 4.42Å; T47-Y66 CarbonylContact C-O 3.51Å; T47-Y66 VanDerWaalsContact CA-O 3.24Å; T47-Y66 WeakPolarHBondContact CA-O 3.48Å; T47-Y67 HydrophobicContact CG2-CD1 4.41Å; T47-Y67 HydrophobicContact CG2-CE1 3.91Å
48G97.7Very high96.7Very high23 Ų2337.1 Ų37.124%0.23723%0.232CC..  trans-62.2146.6164.200000111.4Y66 P68G48-Y66 PolarHBondContact N-O 3.27Å; G48-P68 VanDerWaalsContact N-CD 3.27Å
49G95.8Very high96.4Very high15 Ų1545.2 Ų45.216%0.15527%0.267CS..  trans-128.9-16517200000110.6V53 T441G49-V53 CarbonylContact C-O 3.53Å; G49-V53 VanDerWaalsContact CA-O 3.31Å; G49-V53 WeakPolarHBondContact CA-O 3.26Å; G49-T441 CarbonylContact C-O 3.54Å; G49-T441 WeakPolarHBondContact CA-O 3.48Å; G49-T441 PolarHBondContact N-O 3.49Å
50A93.3Very high96.3Very high35 Ų3550.9 Ų50.929%0.28929%0.292SS..BIsolated β-bridgetrans-157.2179.917700000110G52 V53A50-G52 PolarHBondContact O-N 2.98Å; A50-G52 VanDerWaalsContact O-N 3.16Å; A50-V53 HydrophobicContact CB-CB 4.16Å; A50-V53 HydrophobicContact CB-CG2 4.4Å; A50-V53 PolarHBondContact N-O 2.87Å; A50-V53 CarbonylContact O-C 3.53Å; A50-V53 PolarHBondContact O-N 3.49Å
51H86.2Confident96.3Very high161 Ų16150.8 Ų50.875%0.74529%0.29SS*.THydrogen-bonded Turntrans-57.3123169.5-176.881.8000110.3V53H51-V53 PolarHBondContact O-N 2.94Å
52G87.2Confident96.3Very high74 Ų7453.8 Ų53.876%0.76331%0.306SS*.THydrogen-bonded Turntrans75.60.4-175.500000115.4A50A50-G52 PolarHBondContact O-N 2.98Å; A50-G52 VanDerWaalsContact O-N 3.16Å
53V94.3Very high96.1Very high85 Ų8560 Ų6052%0.51535%0.346SS..BIsolated β-bridgetrans-124.2102.6178.7-176.10000108.8G49 A50 H51G49-V53 CarbonylContact C-O 3.53Å; G49-V53 VanDerWaalsContact CA-O 3.31Å; G49-V53 WeakPolarHBondContact CA-O 3.26Å; A50-V53 HydrophobicContact CB-CB 4.16Å; A50-V53 HydrophobicContact CB-CG2 4.4Å; A50-V53 PolarHBondContact N-O 2.87Å; A50-V53 CarbonylContact O-C 3.53Å; A50-V53 PolarHBondContact O-N 3.49Å; H51-V53 PolarHBondContact O-N 2.94Å
54P94.9Very high96Very high96 Ų9664.1 Ų64.162%0.62339%0.389SS*.  trans-65.7151.8-177.229.1-34.9000111.2
55R98.1Very high95.9Very high15 Ų1568.3 Ų68.36%0.05741%0.407CS..  trans-65.8140.9165.2-57-172.373.3174-3.8109.1L46 T47 N69 L197 F439 T440L46-R55 HydrophobicContact CD1-CB 3.79Å; L46-R55 HydrophobicContact CG-CB 3.96Å; L46-R55 PolarHBondContact O-NH2 3.48Å; T47-R55 VanDerWaalsContact O-CB 3.27Å; T47-R55 WeakPolarHBondContact O-CB 3.38Å; T47-R55 WeakPolarHBondContact O-CG 3.27Å; T47-R55 PolarHBondContact O-NE 2.89Å; T47-R55 PolarHBondContact O-NH2 3.4Å; R55-N69 PolarHBondContact NH1-OD1 3.15Å; R55-N69 PolarHBondContact NH2-OD1 2.91Å; R55-L197 HydrophobicContact CB-CD1 4.24Å; R55-L197 HydrophobicContact CG-CD1 4.46Å; R55-F439 PolarHBondContact NH1-O 3.29Å; R55-T440 WeakPolarHBondContact CD-O 3.38Å; R55-T440 WeakPolarHBondContact CG-O 3.4Å
56E98.1Very high95.9Very high99 Ų9973.2 Ų73.246%0.46343%0.426SS..  trans-104.5137.6178.8-59.4-179.7149.400110.4L46 T47 K65L46-E56 WeakPolarHBondContact CA-O 3.21Å; T47-E56 HydrophobicContact CG2-CB 4.13Å; T47-E56 PolarHBondContact N-O 2.92Å; T47-E56 WeakPolarHBondContact OG1-CB 3.46Å; T47-E56 PolarHBondContact OG1-N 2.86Å; E56-K65 IonicContact OE2-NZ 2.79Å; E56-K65 PolarHBondContact OE2-NZ 3.41Å
57I98.4Very high95.8Very high70 Ų7073.7 Ų73.736%0.35943%0.428SS..BIsolated β-bridgetrans-89.3116.2172.2-57.7161.9000108L46 L197 Y200 V206L46-I57 HydrophobicContact CD1-CG1 3.65Å; I57-L197 HydrophobicContact CD1-CD2 4.48Å; I57-Y200 HydrophobicContact CD1-CD1 3.77Å; I57-Y200 HydrophobicContact CD1-CD2 3.68Å; I57-Y200 HydrophobicContact CD1-CE1 4.07Å; I57-Y200 HydrophobicContact CD1-CE2 3.99Å; I57-Y200 HydrophobicContact CD1-CG 3.55Å; I57-Y200 HydrophobicContact CG1-CD1 4.04Å; I57-Y200 HydrophobicContact CG1-CD2 4.48Å; I57-Y200 HydrophobicContact CG1-CE1 3.92Å; I57-Y200 HydrophobicContact CG1-CE2 4.37Å; I57-Y200 HydrophobicContact CG1-CG 4.31Å; I57-Y200 HydrophobicContact CG2-CE1 4.26Å; I57-Y200 HydrophobicContact CG2-CE2 3.8Å; I57-V206 HydrophobicContact CD1-CG2 4.19Å
58T98.3Very high95.8Very high14 Ų1473.3 Ų73.39%0.08643%0.425CS..  trans-92.9152.9175.362.40000111.2V45 T47 E60 L62 K65 Y67V45-T58 WeakPolarHBondContact CB-O 3.39Å; V45-T58 PolarHBondContact O-N 2.92Å; V45-T58 PolarHBondContact O-OG1 3.48Å; T47-T58 HydrophobicContact CG2-CG2 3.91Å; T58-E60 VanDerWaalsContact C-N 3.31Å; T58-E60 WeakPolarHBondContact CB-O 3.45Å; T58-E60 PolarHBondContact O-N 3.32Å; T58-E60 PolarHBondContact OG1-O 3.05Å; T58-L62 HydrophobicContact CG2-CD1 4.02Å; T58-K65 HydrophobicContact CG2-CG 4.48Å; T58-Y67 HydrophobicContact CG2-CE1 4.36Å; T58-Y67 WeakPolarHBondContact OG1-CE1 3.31Å; T58-Y67 PolarHBondContact OG1-OH 3Å
59K94Very high95.9Very high190 Ų19072.3 Ų72.383%0.82642%0.415SS*.SBendtrans-67.1-34.6-179.1-64.9-172.5177.372.30112.9Q149K59-Q149 PolarHBondContact O-NE2 2.93Å; K59-Q149 VanDerWaalsContact O-NE2 3.14Å
60E96.8Very high96Very high125 Ų12573.1 Ų73.158%0.58441%0.414SS*.SBendtrans-143.1174.8179.165.3-170.8111.100108.8T58 L62 Y67T58-E60 VanDerWaalsContact C-N 3.31Å; T58-E60 WeakPolarHBondContact CB-O 3.45Å; T58-E60 PolarHBondContact O-N 3.32Å; T58-E60 PolarHBondContact OG1-O 3.05Å; E60-L62 HydrophobicContact CG-CD2 3.63Å; E60-L62 HydrophobicContact CG-CG 4.33Å; E60-L62 PolarHBondContact O-N 2.92Å; E60-Y67 PolarHBondContact O-OH 3.12Å
61V98.3Very high96.3Very high49 Ų4975.8 Ų75.830%0.29742%0.421SS..  trans-75.9104.6174.3178.80000108.8W33 V45 Y67W33-V61 HydrophobicContact CH2-CB 4.35Å; W33-V61 HydrophobicContact CH2-CG1 4.09Å; W33-V61 HydrophobicContact CH2-CG2 3.84Å; W33-V61 HydrophobicContact CZ2-CG1 4.27Å; W33-V61 HydrophobicContact CZ3-CG2 4.07Å; V45-V61 HydrophobicContact CG1-CG2 3.76Å; V61-Y67 HydrophobicContact CG1-CD2 4.38Å; V61-Y67 HydrophobicContact CG1-CE2 4.02Å
62L98.2Very high96.9Very high64 Ų6468.1 Ų68.134%0.33539%0.385SS..  trans-88.1126.5-175-64175.3000111.3T58 E60 G64 K65 Y67T58-L62 HydrophobicContact CG2-CD1 4.02Å; E60-L62 HydrophobicContact CG-CD2 3.63Å; E60-L62 HydrophobicContact CG-CG 4.33Å; E60-L62 PolarHBondContact O-N 2.92Å; L62-G64 PolarHBondContact O-N 2.88Å; L62-K65 HydrophobicContact CB-CB 4.37Å; L62-K65 HydrophobicContact CB-CG 4.02Å; L62-K65 HydrophobicContact CD1-CG 4.3Å; L62-K65 PolarHBondContact O-N 3.14Å; L62-Y67 PolarHBondContact N-OH 3.44Å
63P95.2Very high97.4Very high132 Ų13264.6 Ų64.686%0.85735%0.349SS*.THydrogen-bonded Turntrans-62.7124.8169.127.2-32.1000109
64G95.5Very high97.6Very high87 Ų8763 Ų6390%0.89734%0.337SS*.THydrogen-bonded Turntrans102.4-5-177.700000115.3L62L62-G64 PolarHBondContact O-N 2.88Å
65K97.7Very high97.8Very high92 Ų9258.5 Ų58.540%0.431%0.308SS..  trans-94.3152.5165.2-73-71.2-169.1165.80110.4T47 E56 T58 L62 Y67T47-K65 HydrophobicContact CG2-CB 4.31Å; T47-K65 HydrophobicContact CG2-CD 4.05Å; T47-K65 HydrophobicContact CG2-CG 4.42Å; E56-K65 IonicContact OE2-NZ 2.79Å; E56-K65 PolarHBondContact OE2-NZ 3.41Å; T58-K65 HydrophobicContact CG2-CG 4.48Å; L62-K65 HydrophobicContact CB-CB 4.37Å; L62-K65 HydrophobicContact CB-CG 4.02Å; L62-K65 HydrophobicContact CD1-CG 4.3Å; L62-K65 PolarHBondContact O-N 3.14Å; K65-Y67 HydrophobicContact CB-CD2 4.42Å; K65-Y67 HydrophobicContact CB-CE1 4.42Å; K65-Y67 HydrophobicContact CB-CE2 3.6Å
66Y97.8Very high97.9Very high102 Ų10260.3 Ų60.340%0.432%0.315SS..  trans-100.6121.9176.8172.6-125.5000110.4T47 G48 P68 Y444T47-Y66 CarbonylContact C-O 3.51Å; T47-Y66 VanDerWaalsContact CA-O 3.24Å; T47-Y66 WeakPolarHBondContact CA-O 3.48Å; G48-Y66 PolarHBondContact N-O 3.27Å; Y66-P68 HydrophobicContact CD1-CG 4.17Å; Y66-P68 HydrophobicContact CE1-CB 4.35Å; Y66-P68 HydrophobicContact CE1-CG 3.64Å; Y66-Y444 WeakPolarHBondContact OH-CE2 3.47Å
67Y98.2Very high97.9Very high11 Ų1157.9 Ų57.94%0.04332%0.317CS..  trans-119.195.7-179.7-58.5-78.7000109.3V45 T47 T58 E60 V61 L62 K65 N69 H70V45-Y67 VanDerWaalsContact C-CE1 3.49Å; T47-Y67 HydrophobicContact CG2-CD1 4.41Å; T47-Y67 HydrophobicContact CG2-CE1 3.91Å; T58-Y67 HydrophobicContact CG2-CE1 4.36Å; T58-Y67 WeakPolarHBondContact OG1-CE1 3.31Å; T58-Y67 PolarHBondContact OG1-OH 3Å; E60-Y67 PolarHBondContact O-OH 3.12Å; V61-Y67 HydrophobicContact CG1-CD2 4.38Å; V61-Y67 HydrophobicContact CG1-CE2 4.02Å; L62-Y67 PolarHBondContact N-OH 3.44Å; K65-Y67 HydrophobicContact CB-CD2 4.42Å; K65-Y67 HydrophobicContact CB-CE1 4.42Å; K65-Y67 HydrophobicContact CB-CE2 3.6Å; Y67-N69 PolarHBondContact O-N 3.08Å; Y67-N69 VanDerWaalsContact O-N 3.11Å; Y67-H70 WeakPolarHBondContact CB-NE2 3.49Å; Y67-H70 AromaticContact CD2-CE1 3.43Å; Y67-H70 VanDerWaalsContact CD2-CE1 3.43Å; Y67-H70 WeakPolarHBondContact CD2-CE1 3.45Å; Y67-H70 AromaticContact CD2-ND1 3.97Å; Y67-H70 AromaticContact CD2-NE2 3.98Å; Y67-H70 AromaticContact CG-CE1 3.66Å; Y67-H70 AromaticContact CG-NE2 3.75Å; Y67-H70 WeakPolarHBondContact O-CB 3.44Å; Y67-H70 PolarHBondContact O-N 3.4Å
68P98.4Very high97.9Very high0 Ų057.6 Ų57.60%031%0.314CS..G310 helixtrans-55.4-34.3-173.7-24.929.9000113.7G48 Y66 H70 A72 V437 G442 Y444G48-P68 VanDerWaalsContact N-CD 3.27Å; Y66-P68 HydrophobicContact CD1-CG 4.17Å; Y66-P68 HydrophobicContact CE1-CB 4.35Å; Y66-P68 HydrophobicContact CE1-CG 3.64Å; P68-H70 PolarHBondContact O-N 3.01Å; P68-A72 WeakPolarHBondContact O-CA 3.2Å; P68-A72 PolarHBondContact O-N 2.92Å; P68-V437 HydrophobicContact CB-CG1 3.71Å; P68-V437 HydrophobicContact CB-CG2 4.13Å; P68-G442 WeakPolarHBondContact CB-O 3.34Å; P68-G442 WeakPolarHBondContact CG-O 3.42Å; P68-Y444 PolarHBondContact O-OH 3.4Å
69N98.7Very high97.9Very high3 Ų358 Ų582%0.01631%0.314CS..G310 helixtrans-69.8-14.9-178.2-59.898.5000113.8H27 C43 R55 Y67H27-N69 PolarHBondContact CD2-ND2 3.02Å; H27-N69 WeakPolarHBondContact O-CB 3.38Å; H27-N69 PolarHBondContact O-ND2 2.95Å; C43-N69 HydrophobicContact CB-CB 4.3Å; R55-N69 PolarHBondContact NH1-OD1 3.15Å; R55-N69 PolarHBondContact NH2-OD1 2.91Å; Y67-N69 PolarHBondContact O-N 3.08Å; Y67-N69 VanDerWaalsContact O-N 3.11Å
70H98.8Very high98.2Very high32 Ų3253.4 Ų53.415%0.14829%0.294CS..G310 helixtrans-65.8-43.2179.6-77.9-170.4000112.8G31 G32 W33 D44 Y67 P68G31-H70 CarbonylContact C-O 3.43Å; G31-H70 WeakPolarHBondContact CA-O 3.44Å; G32-H70 PolarHBondContact N-O 3.42Å; W33-H70 HydrophobicContact CB-CB 4.47Å; W33-H70 AromaticContact CD1-CD2 3.9Å; W33-H70 AromaticContact CD1-CG 3.44Å; W33-H70 VanDerWaalsContact CD1-CG 3.44Å; W33-H70 AromaticContact CD1-ND1 3.93Å; W33-H70 AromaticContact CD2-CD2 3.69Å; W33-H70 AromaticContact CD2-CG 3.9Å; W33-H70 AromaticContact CD2-NE2 3.84Å; W33-H70 AromaticContact CE2-CD2 3.92Å; W33-H70 AromaticContact CE2-CE1 3.64Å; W33-H70 AromaticContact CE2-CG 3.75Å; W33-H70 AromaticContact CE2-ND1 3.58Å; W33-H70 AromaticContact CE2-NE2 3.86Å; W33-H70 HydrophobicContact CG-CB 3.89Å; W33-H70 AromaticContact CG-CD2 3.68Å; W33-H70 AromaticContact CG-CG 3.71Å; W33-H70 AromaticContact CZ2-CE1 3.71Å; W33-H70 AromaticContact CZ2-ND1 3.97Å; W33-H70 AromaticContact NE1-CD2 3.99Å; W33-H70 AromaticContact NE1-CE1 3.94Å; W33-H70 AromaticContact NE1-CG 3.41Å; W33-H70 AromaticContact NE1-ND1 3.38Å; W33-H70 PolarHBondContact NE1-ND1 3.08Å; D44-H70 PolarHBondContact O-NE2 3.05Å; D44-H70 IonicContact OD1-CD2 3.78Å; D44-H70 PolarHBondContact OD1-CD2 2.69Å; Y67-H70 WeakPolarHBondContact CB-NE2 3.49Å; Y67-H70 AromaticContact CD2-CE1 3.43Å; Y67-H70 VanDerWaalsContact CD2-CE1 3.43Å; Y67-H70 WeakPolarHBondContact CD2-CE1 3.45Å; Y67-H70 AromaticContact CD2-ND1 3.97Å; Y67-H70 AromaticContact CD2-NE2 3.98Å; Y67-H70 AromaticContact CG-CE1 3.66Å; Y67-H70 AromaticContact CG-NE2 3.75Å; Y67-H70 WeakPolarHBondContact O-CB 3.44Å; Y67-H70 PolarHBondContact O-N 3.4Å; P68-H70 PolarHBondContact O-N 3.01Å
71E98.7Very high98.3Very high90 Ų9052.7 Ų52.742%0.42129%0.29SS..THydrogen-bonded Turntrans-100.5-38.5178.1-171.8-178.7-170.200110.9G31 V73 D74 K455 M463G31-E71 WeakPolarHBondContact CA-O 3.48Å; E71-V73 PolarHBondContact O-N 2.85Å; E71-D74 PolarHBondContact O-N 3.46Å; E71-K455 IonicContact OE1-NZ 3.13Å; E71-K455 PolarHBondContact OE1-NZ 2.86Å; E71-K455 WeakPolarHBondContact OE2-CE 3.5Å; E71-K455 IonicContact OE2-NZ 3.97Å; E71-K455 PolarHBondContact OE2-NZ 2.94Å; E71-M463 HydrophobicContact CG-CE 3.95Å; E71-M463 WeakPolarHBondContact OE1-CE 3.4Å
72A98.6Very high98.3Very high0 Ų050.4 Ų50.40%028%0.276CS..THydrogen-bonded Turntrans45.9-124-173.900000111.3P68 V437 Y444P68-A72 WeakPolarHBondContact O-CA 3.2Å; P68-A72 PolarHBondContact O-N 2.92Å; A72-V437 HydrophobicContact CB-CG2 4.17Å; A72-Y444 VanDerWaalsContact O-CE1 3.31Å; A72-Y444 WeakPolarHBondContact O-CE1 3.07Å; A72-Y444 PolarHBondContact O-OH 3.18Å
73V98.9Very high98.3Very high0 Ų047.3 Ų47.30%026%0.26CS..THydrogen-bonded Turntrans-111.420.1173.1-64.10000113.2V29 E71 F75 D435 Y444 V453 M463 R465V29-V73 HydrophobicContact CB-CG2 3.82Å; V29-V73 HydrophobicContact CG1-CG2 4.06Å; V29-V73 CarbonylContact O-C 3.52Å; V29-V73 WeakPolarHBondContact O-CG2 3.43Å; V29-V73 PolarHBondContact O-N 3.43Å; E71-V73 PolarHBondContact O-N 2.85Å; V73-F75 PolarHBondContact O-N 2.98Å; V73-F75 VanDerWaalsContact O-N 3.14Å; V73-D435 WeakPolarHBondContact CG1-O 3.48Å; V73-D435 WeakPolarHBondContact CG2-O 3.5Å; V73-Y444 HydrophobicContact CG1-CD1 4.2Å; V73-Y444 HydrophobicContact CG1-CE1 3.87Å; V73-V453 HydrophobicContact CB-CG1 4.02Å; V73-V453 HydrophobicContact CB-CG2 4.22Å; V73-V453 HydrophobicContact CG1-CB 4.09Å; V73-V453 HydrophobicContact CG1-CG1 3.83Å; V73-V453 HydrophobicContact CG1-CG2 4.15Å; V73-M463 VanDerWaalsContact CA-SD 3.54Å; V73-M463 HydrophobicContact CB-SD 4.06Å; V73-M463 HydrophobicContact CG1-SD 4.3Å; V73-R465 PolarHBondContact O-NH1 3.11Å; V73-R465 PolarHBondContact O-NH2 2.94Å
74D98.8Very high98.5Very high51 Ų5147 Ų4727%0.27325%0.246SC..  trans46.142.1-176.8-167.927.1000113.4V29 E30 E71 Y76 G77 H78 M463V29-D74 PolarHBondContact O-N 3.27Å; E30-D74 CarbonylContact O-C 3.53Å; E30-D74 WeakPolarHBondContact O-CA 3.26Å; E71-D74 PolarHBondContact O-N 3.46Å; D74-Y76 PolarHBondContact O-N 3.48Å; D74-G77 PolarHBondContact O-N 3.14Å; D74-G77 VanDerWaalsContact O-N 3.08Å; D74-G77 PolarHBondContact OD1-N 3.23Å; D74-H78 WeakPolarHBondContact O-CB 3.37Å; D74-H78 PolarHBondContact O-CD2 2.99Å; D74-H78 PolarHBondContact O-N 2.86Å; D74-H78 IonicContact OD2-CD2 2.71Å; D74-H78 IonicContact OD2-NE2 3.32Å; D74-M463 HydrophobicContact CB-CG 4.39Å
75F98.9Very high98.7Very high2 Ų243.8 Ų43.81%0.00921%0.208CC..Hα-helixtrans-60.9-25.8171.7-176.1-95.3000110.4V29 E30 V73 G77 H78 Y79 D82 I83 F86 F94 M123V29-F75 HydrophobicContact CB-CB 3.87Å; V29-F75 HydrophobicContact CB-CG 4.41Å; V29-F75 HydrophobicContact CG2-CB 3.92Å; V29-F75 HydrophobicContact CG2-CD1 4.19Å; V29-F75 HydrophobicContact CG2-CG 4.08Å; V29-F75 VanDerWaalsContact O-CB 3.23Å; V29-F75 WeakPolarHBondContact O-CB 3.18Å; V29-F75 PolarHBondContact O-N 3.23Å; E30-F75 PolarHBondContact O-N 2.83Å; V73-F75 PolarHBondContact O-N 2.98Å; V73-F75 VanDerWaalsContact O-N 3.14Å; F75-G77 VanDerWaalsContact C-N 3.31Å; F75-G77 PolarHBondContact O-N 2.96Å; F75-H78 PolarHBondContact O-N 3.05Å; F75-Y79 WeakPolarHBondContact O-CA 3.29Å; F75-Y79 WeakPolarHBondContact O-CB 3.31Å; F75-Y79 PolarHBondContact O-N 3.46Å; F75-D82 HydrophobicContact CD2-CB 3.81Å; F75-D82 VanDerWaalsContact CD2-OD2 3.28Å; F75-D82 WeakPolarHBondContact CD2-OD2 3.47Å; F75-D82 HydrophobicContact CE2-CB 3.55Å; F75-I83 HydrophobicContact CZ-CG1 4.44Å; F75-F86 AromaticContact CE2-CE2 3.95Å; F75-F86 HydrophobicContact CE2-CE2 3.95Å; F75-F86 AromaticContact CE2-CZ 3.99Å; F75-F86 HydrophobicContact CE2-CZ 3.99Å; F75-F86 HydrophobicContact CZ-CE2 4.22Å; F75-F94 HydrophobicContact CZ-CE1 4.14Å; F75-F94 HydrophobicContact CZ-CZ 4.17Å; F75-M123 HydrophobicContact CE1-SD 3.72Å; F75-M123 HydrophobicContact CZ-SD 4.49Å
76Y98.8Very high98.7Very high54 Ų5439.4 Ų39.421%0.21219%0.189CC..Hα-helixtrans-58.3-41.4171.8-176-99.8000112.4E30 K35 D74 R102 F119E30-Y76 WeakPolarHBondContact O-CB 3.47Å; E30-Y76 PolarHBondContact O-N 3.29Å; K35-Y76 HydrophobicContact CB-CE1 4.2Å; D74-Y76 PolarHBondContact O-N 3.48Å; Y76-R102 VanDerWaalsContact CD2-NH2 3.27Å; Y76-R102 VanDerWaalsContact CE2-CZ 3.43Å; Y76-F119 HydrophobicContact CD2-CD1 4.39Å; Y76-F119 AromaticContact CD2-CD2 3.66Å; Y76-F119 HydrophobicContact CD2-CD2 3.66Å; Y76-F119 HydrophobicContact CD2-CE1 4.13Å; Y76-F119 AromaticContact CD2-CE2 3.36Å; Y76-F119 HydrophobicContact CD2-CE2 3.36Å; Y76-F119 HydrophobicContact CD2-CG 4.17Å; Y76-F119 AromaticContact CD2-CZ 3.63Å; Y76-F119 HydrophobicContact CD2-CZ 3.63Å; Y76-F119 HydrophobicContact CE2-CB 4.42Å; Y76-F119 HydrophobicContact CE2-CD1 4.32Å; Y76-F119 AromaticContact CE2-CD2 3.45Å; Y76-F119 HydrophobicContact CE2-CD2 3.45Å; Y76-F119 VanDerWaalsContact CE2-CD2 3.45Å; Y76-F119 AromaticContact CE2-CE2 3.7Å; Y76-F119 HydrophobicContact CE2-CE2 3.7Å; Y76-F119 AromaticContact CE2-CG 3.79Å; Y76-F119 HydrophobicContact CE2-CG 3.79Å; Y76-F119 HydrophobicContact CE2-CZ 4.24Å; Y76-F119 HydrophobicContact CG-CE2 4.25Å
77G98.7Very high98.8Very high47 Ų4735.9 Ų35.949%0.48518%0.18SC..Hα-helixtrans-79.9-28.9174.800000114.5D74 F75D74-G77 PolarHBondContact O-N 3.14Å; D74-G77 VanDerWaalsContact O-N 3.08Å; D74-G77 PolarHBondContact OD1-N 3.23Å; F75-G77 VanDerWaalsContact C-N 3.31Å; F75-G77 PolarHBondContact O-N 2.96Å
78H98.9Very high98.8Very high64 Ų6438.7 Ų38.730%0.29619%0.194SC..Hα-helixtrans-114.55.3-167.8-74.1-91.5000115.6D74 F75 K80 E81 D82 R465D74-H78 WeakPolarHBondContact O-CB 3.37Å; D74-H78 PolarHBondContact O-CD2 2.99Å; D74-H78 PolarHBondContact O-N 2.86Å; D74-H78 IonicContact OD2-CD2 2.71Å; D74-H78 IonicContact OD2-NE2 3.32Å; F75-H78 PolarHBondContact O-N 3.05Å; H78-K80 PolarHBondContact O-N 2.98Å; H78-E81 PolarHBondContact O-N 2.82Å; H78-E81 VanDerWaalsContact O-N 3.08Å; H78-D82 PolarHBondContact O-N 2.96Å; H78-R465 PolarHBondContact CD2-NH1 2.79Å; H78-R465 VanDerWaalsContact CD2-NH1 3.28Å; H78-R465 VanDerWaalsContact CG-NH1 3.27Å
79Y98.9Very high98.8Very high24 Ų2438.8 Ų38.89%0.09419%0.194CC..Hα-helixtrans-56-31-171.471-87.1000113.3F75 I83 F119 D122 M123 E126F75-Y79 WeakPolarHBondContact O-CA 3.29Å; F75-Y79 WeakPolarHBondContact O-CB 3.31Å; F75-Y79 PolarHBondContact O-N 3.46Å; Y79-I83 HydrophobicContact CD2-CD1 3.89Å; Y79-I83 WeakPolarHBondContact O-CB 3.45Å; Y79-I83 WeakPolarHBondContact O-CD1 3.42Å; Y79-I83 WeakPolarHBondContact O-CG1 3.29Å; Y79-I83 PolarHBondContact O-N 3.47Å; Y79-F119 AromaticContact CD1-CE2 3.97Å; Y79-F119 HydrophobicContact CD1-CE2 3.97Å; Y79-F119 HydrophobicContact CE1-CE2 4.11Å; Y79-D122 WeakPolarHBondContact OH-CB 3.48Å; Y79-M123 HydrophobicContact CD2-CB 4.11Å; Y79-M123 HydrophobicContact CD2-CG 4.04Å; Y79-M123 HydrophobicContact CE2-CB 4.25Å; Y79-M123 HydrophobicContact CG-CG 4.47Å; Y79-E126 HydrophobicContact CE2-CB 4.22Å
80K98.9Very high98.8Very high93 Ų9339.9 Ų39.940%0.40421%0.206SC..Hα-helixtrans-68.7-45.8179.7-64.2-165.4176.5-168.50111.8H78 K84 E126H78-K80 PolarHBondContact O-N 2.98Å; K80-K84 PolarHBondContact O-N 3.48Å; K80-K84 VanDerWaalsContact O-N 3.1Å; K80-E126 HydrophobicContact CB-CG 4.38Å; K80-E126 HydrophobicContact CG-CG 4.12Å
81E98.9Very high98.8Very high109 Ų10938.6 Ų38.651%0.50920%0.2SC..Hα-helixtrans-66.6-41.3176.4-68.367.4-147.700110.9H78 K84 L85H78-E81 PolarHBondContact O-N 2.82Å; H78-E81 VanDerWaalsContact O-N 3.08Å; E81-K84 WeakPolarHBondContact O-CB 3.44Å; E81-K84 PolarHBondContact O-N 3Å; E81-L85 PolarHBondContact O-N 2.94Å
82D98.9Very high98.9Very high1 Ų139 Ų391%0.00520%0.201CC..Hα-helixtrans-67.8-41.6179.1-68.2-20000111.4F75 H78 K84 L85 F86 I434 R465F75-D82 HydrophobicContact CD2-CB 3.81Å; F75-D82 VanDerWaalsContact CD2-OD2 3.28Å; F75-D82 WeakPolarHBondContact CD2-OD2 3.47Å; F75-D82 HydrophobicContact CE2-CB 3.55Å; H78-D82 PolarHBondContact O-N 2.96Å; D82-K84 VanDerWaalsContact C-N 3.28Å; D82-K84 PolarHBondContact O-N 2.81Å; D82-L85 WeakPolarHBondContact O-CA 3.36Å; D82-L85 WeakPolarHBondContact O-CB 3.45Å; D82-L85 PolarHBondContact O-N 3.44Å; D82-F86 HydrophobicContact CB-CZ 4.3Å; D82-F86 WeakPolarHBondContact O-CD1 3.34Å; D82-F86 WeakPolarHBondContact O-CG 3.29Å; D82-F86 PolarHBondContact O-N 3.17Å; D82-I434 HydrophobicContact CB-CD1 4.36Å; D82-R465 WeakPolarHBondContact OD1-CD 3.24Å; D82-R465 WeakPolarHBondContact OD1-CG 3.35Å; D82-R465 IonicContact OD1-CZ 3.64Å; D82-R465 IonicContact OD1-NE 2.77Å; D82-R465 PolarHBondContact OD1-NE 2.76Å; D82-R465 IonicContact OD1-NH2 3.03Å; D82-R465 IonicContact OD2-CZ 3.72Å; D82-R465 IonicContact OD2-NE 3.66Å; D82-R465 PolarHBondContact OD2-NE 2.77Å; D82-R465 IonicContact OD2-NH2 3.99Å; D82-R465 PolarHBondContact OD2-NH2 3.13Å
83I98.9Very high98.9Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-62.6-36.1173.7-73.1167.3000111.7F75 Y79 L85 F86 A87 M123 E126 L127 Y130 I132F75-I83 HydrophobicContact CZ-CG1 4.44Å; Y79-I83 HydrophobicContact CD2-CD1 3.89Å; Y79-I83 WeakPolarHBondContact O-CB 3.45Å; Y79-I83 WeakPolarHBondContact O-CD1 3.42Å; Y79-I83 WeakPolarHBondContact O-CG1 3.29Å; Y79-I83 PolarHBondContact O-N 3.47Å; I83-L85 VanDerWaalsContact C-N 3.26Å; I83-L85 PolarHBondContact O-N 3.37Å; I83-F86 HydrophobicContact CB-CD2 4.36Å; I83-F86 HydrophobicContact CG1-CD2 4.02Å; I83-F86 HydrophobicContact CG1-CE2 4.16Å; I83-F86 WeakPolarHBondContact O-CB 3.46Å; I83-F86 PolarHBondContact O-N 3.27Å; I83-F86 VanDerWaalsContact O-N 3.15Å; I83-A87 PolarHBondContact O-N 3Å; I83-M123 HydrophobicContact CD1-CG 4.11Å; I83-E126 HydrophobicContact CB-CG 4.44Å; I83-E126 HydrophobicContact CD1-CB 3.95Å; I83-E126 HydrophobicContact CD1-CG 4.21Å; I83-E126 HydrophobicContact CG2-CG 4.18Å; I83-L127 HydrophobicContact CD1-CD2 3.84Å; I83-L127 HydrophobicContact CD1-CG 3.81Å; I83-L127 HydrophobicContact CG1-CD2 3.72Å; I83-L127 HydrophobicContact CG1-CG 4.27Å; I83-L127 HydrophobicContact CG2-CD2 4.04Å; I83-Y130 HydrophobicContact CG2-CD2 3.78Å; I83-Y130 HydrophobicContact CG2-CE2 4.23Å; I83-I132 HydrophobicContact CG2-CD1 4.45Å
84K98.9Very high98.9Very high126 Ų12639 Ų3955%0.54820%0.201SC..Hα-helixtrans-62.2-36.2173.6-173.9-177.4176.7-1750111.6K80 E81 D82 A87 E88K80-K84 PolarHBondContact O-N 3.48Å; K80-K84 VanDerWaalsContact O-N 3.1Å; E81-K84 WeakPolarHBondContact O-CB 3.44Å; E81-K84 PolarHBondContact O-N 3Å; D82-K84 VanDerWaalsContact C-N 3.28Å; D82-K84 PolarHBondContact O-N 2.81Å; K84-A87 PolarHBondContact O-N 3.39Å; K84-E88 PolarHBondContact O-N 3Å
85L98.9Very high98.9Very high19 Ų1936.6 Ų36.610%0.09919%0.188CC..Hα-helixtrans-67.3-38.8173.1-64.9174.1000111.7E81 D82 I83 A87 E88 M89 I451 R465 R467 F471E81-L85 PolarHBondContact O-N 2.94Å; D82-L85 WeakPolarHBondContact O-CA 3.36Å; D82-L85 WeakPolarHBondContact O-CB 3.45Å; D82-L85 PolarHBondContact O-N 3.44Å; I83-L85 VanDerWaalsContact C-N 3.26Å; I83-L85 PolarHBondContact O-N 3.37Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 2.84Å; L85-E88 WeakPolarHBondContact O-CB 3.42Å; L85-E88 PolarHBondContact O-N 3.3Å; L85-M89 PolarHBondContact O-N 3.42Å; L85-M89 VanDerWaalsContact O-N 3.14Å; L85-I451 HydrophobicContact CB-CD1 3.59Å; L85-I451 HydrophobicContact CB-CG1 4.38Å; L85-I451 HydrophobicContact CD1-CD1 3.92Å; L85-I451 HydrophobicContact CD1-CG1 4.25Å; L85-I451 HydrophobicContact CD1-CG2 3.88Å; L85-I451 HydrophobicContact CG-CD1 4.4Å; L85-R465 HydrophobicContact CD1-CB 3.96Å; L85-R465 HydrophobicContact CD1-CG 4.36Å; L85-R467 VanDerWaalsContact CD2-NH2 3.32Å; L85-F471 HydrophobicContact CB-CE2 4.22Å; L85-F471 HydrophobicContact CD2-CZ 4.47Å
86F98.9Very high98.9Very high0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-61.1-42.1173.5-54.4-23.9000111.7F75 D82 I83 E88 M89 G90 F91 F94 I132 I434 I451F75-F86 AromaticContact CE2-CE2 3.95Å; F75-F86 HydrophobicContact CE2-CE2 3.95Å; F75-F86 AromaticContact CE2-CZ 3.99Å; F75-F86 HydrophobicContact CE2-CZ 3.99Å; F75-F86 HydrophobicContact CZ-CE2 4.22Å; D82-F86 HydrophobicContact CB-CZ 4.3Å; D82-F86 WeakPolarHBondContact O-CD1 3.34Å; D82-F86 WeakPolarHBondContact O-CG 3.29Å; D82-F86 PolarHBondContact O-N 3.17Å; I83-F86 HydrophobicContact CB-CD2 4.36Å; I83-F86 HydrophobicContact CG1-CD2 4.02Å; I83-F86 HydrophobicContact CG1-CE2 4.16Å; I83-F86 WeakPolarHBondContact O-CB 3.46Å; I83-F86 PolarHBondContact O-N 3.27Å; I83-F86 VanDerWaalsContact O-N 3.15Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-E88 PolarHBondContact O-N 2.91Å; F86-M89 PolarHBondContact O-N 3.25Å; F86-G90 PolarHBondContact O-N 2.94Å; F86-G90 VanDerWaalsContact O-N 3.11Å; F86-F91 HydrophobicContact CB-CB 4.4Å; F86-F91 HydrophobicContact CB-CD2 3.65Å; F86-F91 HydrophobicContact CB-CE2 4.02Å; F86-F91 HydrophobicContact CB-CG 4.02Å; F86-F91 HydrophobicContact CD1-CD2 4.43Å; F86-F91 AromaticContact CD1-CE2 3.93Å; F86-F91 HydrophobicContact CD1-CE2 3.93Å; F86-F91 HydrophobicContact CD1-CZ 4.4Å; F86-F91 HydrophobicContact CG-CD2 4.02Å; F86-F91 AromaticContact CG-CE2 3.97Å; F86-F91 HydrophobicContact CG-CE2 3.97Å; F86-F91 PolarHBondContact O-N 3.4Å; F86-F94 AromaticContact CD2-CD2 3.98Å; F86-F94 HydrophobicContact CD2-CD2 3.98Å; F86-F94 HydrophobicContact CD2-CE2 4.11Å; F86-F94 HydrophobicContact CD2-CG 4.28Å; F86-F94 HydrophobicContact CE2-CD1 4.43Å; F86-F94 AromaticContact CE2-CD2 3.79Å; F86-F94 HydrophobicContact CE2-CD2 3.79Å; F86-F94 HydrophobicContact CE2-CE1 4.12Å; F86-F94 AromaticContact CE2-CE2 3.44Å; F86-F94 HydrophobicContact CE2-CE2 3.44Å; F86-F94 VanDerWaalsContact CE2-CE2 3.44Å; F86-F94 HydrophobicContact CE2-CG 4.26Å; F86-F94 AromaticContact CE2-CZ 3.6Å; F86-F94 HydrophobicContact CE2-CZ 3.6Å; F86-F94 HydrophobicContact CZ-CD2 4.36Å; F86-F94 AromaticContact CZ-CE2 3.72Å; F86-F94 HydrophobicContact CZ-CE2 3.72Å; F86-F94 HydrophobicContact CZ-CZ 4.02Å; F86-I132 HydrophobicContact CB-CD1 4.02Å; F86-I434 HydrophobicContact CE1-CB 4.42Å; F86-I434 HydrophobicContact CE1-CG2 4.46Å; F86-I434 HydrophobicContact CZ-CG2 4.28Å; F86-I451 HydrophobicContact CD1-CD1 3.93Å; F86-I451 HydrophobicContact CE1-CD1 3.74Å
87A98.9Very high98.9Very high27 Ų2734 Ų3422%0.22318%0.178CC..Hα-helixtrans-65.1-35.4176.100000112.5I83 K84 L85 M89 G90 Y130 I132I83-A87 PolarHBondContact O-N 3Å; K84-A87 PolarHBondContact O-N 3.39Å; L85-A87 VanDerWaalsContact C-N 3.32Å; L85-A87 PolarHBondContact O-N 2.84Å; A87-M89 VanDerWaalsContact C-N 3.33Å; A87-G90 WeakPolarHBondContact O-CA 3.39Å; A87-G90 PolarHBondContact O-N 2.91Å; A87-Y130 HydrophobicContact CB-CD1 3.42Å; A87-Y130 VanDerWaalsContact CB-CD1 3.42Å; A87-Y130 HydrophobicContact CB-CD2 4.15Å; A87-Y130 HydrophobicContact CB-CE1 4.05Å; A87-Y130 HydrophobicContact CB-CG 3.48Å; A87-Y130 VanDerWaalsContact CB-CG 3.48Å; A87-I132 HydrophobicContact CB-CD1 4.2Å
88E98.9Very high98.9Very high71 Ų7131.7 Ų31.733%0.33215%0.154SC..Hα-helixtrans-65.5-36.1175.5-177.2179.5147.200112.3K84 L85 F86 G90 R467 F471 K475K84-E88 PolarHBondContact O-N 3Å; L85-E88 WeakPolarHBondContact O-CB 3.42Å; L85-E88 PolarHBondContact O-N 3.3Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-E88 PolarHBondContact O-N 2.91Å; E88-G90 PolarHBondContact O-N 2.98Å; E88-R467 IonicContact OE1-CZ 2.73Å; E88-R467 IonicContact OE1-NE 3.55Å; E88-R467 PolarHBondContact OE1-NE 2.99Å; E88-R467 IonicContact OE1-NH2 2.7Å; E88-R467 PolarHBondContact OE1-NH2 3.49Å; E88-R467 IonicContact OE2-CZ 3.82Å; E88-R467 IonicContact OE2-NE 2.88Å; E88-R467 IonicContact OE2-NH2 3.69Å; E88-R467 PolarHBondContact OE2-NH2 2.71Å; E88-F471 HydrophobicContact CB-CE1 4.48Å; E88-F471 HydrophobicContact CB-CZ 4.05Å; E88-F471 HydrophobicContact CG-CE1 3.96Å; E88-F471 HydrophobicContact CG-CZ 4Å; E88-F471 WeakPolarHBondContact OE1-CE1 3.35Å; E88-K475 VanDerWaalsContact O-CD 3.29Å; E88-K475 WeakPolarHBondContact O-CD 3.34Å; E88-K475 WeakPolarHBondContact O-CE 3.31Å
89M98.9Very high98.9Very high1 Ų128.7 Ų28.71%0.00514%0.14CC..Hα-helixtrans-70.6-19.5169.2-62.6179.476.100112.7L85 F86 A87 F91 F450 F471 Y474 K475 I478L85-M89 PolarHBondContact O-N 3.42Å; L85-M89 VanDerWaalsContact O-N 3.14Å; F86-M89 PolarHBondContact O-N 3.25Å; A87-M89 VanDerWaalsContact C-N 3.33Å; M89-F91 HydrophobicContact CB-CD1 3.85Å; M89-F91 HydrophobicContact CB-CE1 3.8Å; M89-F91 HydrophobicContact CE-CE1 4Å; M89-F91 HydrophobicContact CG-CE1 4.42Å; M89-F91 HydrophobicContact SD-CE1 3.77Å; M89-F91 HydrophobicContact SD-CZ 4.13Å; M89-F450 HydrophobicContact CE-CB 3.58Å; M89-F450 HydrophobicContact CE-CD1 4.11Å; M89-F450 HydrophobicContact CE-CD2 3.47Å; M89-F450 VanDerWaalsContact CE-CD2 3.47Å; M89-F450 HydrophobicContact CE-CE2 4.14Å; M89-F450 HydrophobicContact CE-CG 3.45Å; M89-F450 VanDerWaalsContact CE-CG 3.45Å; M89-F450 HydrophobicContact SD-CB 3.95Å; M89-F450 HydrophobicContact SD-CD2 4.2Å; M89-F450 HydrophobicContact SD-CG 4.31Å; M89-F471 HydrophobicContact CE-CD2 4.32Å; M89-F471 HydrophobicContact CG-CD1 4.14Å; M89-F471 HydrophobicContact CG-CD2 3.68Å; M89-F471 HydrophobicContact CG-CE1 3.8Å; M89-F471 HydrophobicContact CG-CE2 3.3Å; M89-F471 HydrophobicContact CG-CG 4.08Å; M89-F471 HydrophobicContact CG-CZ 3.38Å; M89-F471 HydrophobicContact SD-CD2 3.51Å; M89-F471 VanDerWaalsContact SD-CD2 3.51Å; M89-F471 HydrophobicContact SD-CE2 3.52Å; M89-F471 VanDerWaalsContact SD-CE2 3.52Å; M89-F471 HydrophobicContact SD-CG 4.24Å; M89-F471 HydrophobicContact SD-CZ 4.24Å; M89-Y474 HydrophobicContact CE-CD1 3.5Å; M89-Y474 HydrophobicContact CE-CG 4.03Å; M89-K475 WeakPolarHBondContact O-CA 3.24Å; M89-I478 WeakPolarHBondContact O-CD1 3.47Å
90G98.9Very high98.9Very high26 Ų2627.6 Ų27.627%0.26814%0.136SC..THydrogen-bonded Turntrans87.126.2177.500000114.4F86 A87 E88 K92 I478F86-G90 PolarHBondContact O-N 2.94Å; F86-G90 VanDerWaalsContact O-N 3.11Å; A87-G90 WeakPolarHBondContact O-CA 3.39Å; A87-G90 PolarHBondContact O-N 2.91Å; E88-G90 PolarHBondContact O-N 2.98Å; G90-K92 PolarHBondContact O-N 3.38Å; G90-I478 VanDerWaalsContact O-CG2 3.29Å; G90-I478 WeakPolarHBondContact O-CG2 3.47Å
91F98.9Very high98.9Very high5 Ų523.1 Ų23.12%0.02212%0.117CC..  trans-46.9138.3178.6-8020000111.6G22 F86 M89 F94 I132 C433 Y474 I478G22-F91 VanDerWaalsContact N-CE2 3.29Å; F86-F91 HydrophobicContact CB-CB 4.4Å; F86-F91 HydrophobicContact CB-CD2 3.65Å; F86-F91 HydrophobicContact CB-CE2 4.02Å; F86-F91 HydrophobicContact CB-CG 4.02Å; F86-F91 HydrophobicContact CD1-CD2 4.43Å; F86-F91 AromaticContact CD1-CE2 3.93Å; F86-F91 HydrophobicContact CD1-CE2 3.93Å; F86-F91 HydrophobicContact CD1-CZ 4.4Å; F86-F91 HydrophobicContact CG-CD2 4.02Å; F86-F91 AromaticContact CG-CE2 3.97Å; F86-F91 HydrophobicContact CG-CE2 3.97Å; F86-F91 PolarHBondContact O-N 3.4Å; M89-F91 HydrophobicContact CB-CD1 3.85Å; M89-F91 HydrophobicContact CB-CE1 3.8Å; M89-F91 HydrophobicContact CE-CE1 4Å; M89-F91 HydrophobicContact CG-CE1 4.42Å; M89-F91 HydrophobicContact SD-CE1 3.77Å; M89-F91 HydrophobicContact SD-CZ 4.13Å; F91-F94 HydrophobicContact CE2-CD2 4.47Å; F91-I132 HydrophobicContact CB-CD1 4.19Å; F91-I132 HydrophobicContact CB-CG1 4.33Å; F91-I132 HydrophobicContact CB-CG2 4.25Å; F91-C433 HydrophobicContact CE2-CB 4.35Å; F91-C433 HydrophobicContact CZ-CB 4.08Å; F91-Y474 HydrophobicContact CD1-CE1 4.49Å; F91-Y474 HydrophobicContact CE1-CD1 4.01Å; F91-Y474 AromaticContact CE1-CE1 3.85Å; F91-Y474 HydrophobicContact CE1-CE1 3.85Å; F91-I478 HydrophobicContact CD1-CD1 3.73Å; F91-I478 HydrophobicContact CE1-CD1 4.19Å
92K98.9Very high98.9Very high99 Ų9918 Ų1843%0.439%0.093SC..SBendtrans-92.9-29.6171.3-52.6-55.6-179.9-168.90111.3L19 W20 G90 E133L19-K92 HydrophobicContact CD2-CB 4.33Å; W20-K92 HydrophobicContact CB-CG 4.24Å; W20-K92 WeakPolarHBondContact O-CA 3.5Å; W20-K92 VanDerWaalsContact O-CB 3.29Å; W20-K92 WeakPolarHBondContact O-CB 3.27Å; W20-K92 PolarHBondContact O-N 2.88Å; G90-K92 PolarHBondContact O-N 3.38Å; K92-E133 PolarHBondContact O-N 2.88Å
93C99Very high98.9Very high0 Ų017.9 Ų17.90%09%0.092CC..EExtended strand (participates in β ladder)trans-142.7163.4174.869.60000111.6L19 W20 G21 E133 V135 T429L19-C93 HydrophobicContact CB-CB 4.42Å; L19-C93 HydrophobicContact CD2-CB 4.43Å; W20-C93 PolarHBondContact O-N 3.15Å; G21-C93 WeakPolarHBondContact CA-O 3.4Å; C93-E133 CarbonylContact C-O 3.53Å; C93-E133 WeakPolarHBondContact CA-O 3.35Å; C93-E133 HydrophobicContact CB-CB 4.22Å; C93-E133 WeakPolarHBondContact CB-O 3.44Å; C93-V135 HydrophobicContact CB-CG2 3.87Å; C93-T429 WeakPolarHBondContact SG-CG2 3.2Å
94F99Very high98.9Very high0 Ų018 Ų180%09%0.092CC..EExtended strand (participates in β ladder)trans-136.5121.8171.7175.5-114.9000109.2G22 V24 F75 F86 F91 T96 L127 I132 E133 V135G22-F94 WeakPolarHBondContact O-CD2 3.39Å; V24-F94 HydrophobicContact CG1-CE2 4.46Å; V24-F94 HydrophobicContact CG2-CE1 4.3Å; V24-F94 HydrophobicContact CG2-CE2 3.93Å; V24-F94 HydrophobicContact CG2-CZ 3.42Å; V24-F94 VanDerWaalsContact CG2-CZ 3.42Å; F75-F94 HydrophobicContact CZ-CE1 4.14Å; F75-F94 HydrophobicContact CZ-CZ 4.17Å; F86-F94 AromaticContact CD2-CD2 3.98Å; F86-F94 HydrophobicContact CD2-CD2 3.98Å; F86-F94 HydrophobicContact CD2-CE2 4.11Å; F86-F94 HydrophobicContact CD2-CG 4.28Å; F86-F94 HydrophobicContact CE2-CD1 4.43Å; F86-F94 AromaticContact CE2-CD2 3.79Å; F86-F94 HydrophobicContact CE2-CD2 3.79Å; F86-F94 HydrophobicContact CE2-CE1 4.12Å; F86-F94 AromaticContact CE2-CE2 3.44Å; F86-F94 HydrophobicContact CE2-CE2 3.44Å; F86-F94 VanDerWaalsContact CE2-CE2 3.44Å; F86-F94 HydrophobicContact CE2-CG 4.26Å; F86-F94 AromaticContact CE2-CZ 3.6Å; F86-F94 HydrophobicContact CE2-CZ 3.6Å; F86-F94 HydrophobicContact CZ-CD2 4.36Å; F86-F94 AromaticContact CZ-CE2 3.72Å; F86-F94 HydrophobicContact CZ-CE2 3.72Å; F86-F94 HydrophobicContact CZ-CZ 4.02Å; F91-F94 HydrophobicContact CE2-CD2 4.47Å; F94-T96 HydrophobicContact CD1-CG2 4.38Å; F94-T96 HydrophobicContact CE1-CG2 4.05Å; F94-L127 HydrophobicContact CB-CD1 4.42Å; F94-L127 HydrophobicContact CB-CD2 3.81Å; F94-L127 HydrophobicContact CD1-CD1 3.91Å; F94-L127 HydrophobicContact CD1-CD2 3.88Å; F94-L127 HydrophobicContact CG-CD2 4.12Å; F94-I132 HydrophobicContact CB-CG2 3.69Å; F94-E133 PolarHBondContact N-O 3.28Å; F94-V135 PolarHBondContact O-N 2.99Å
95R99Very high98.9Very high0 Ų013.1 Ų13.10%07%0.074CC..EExtended strand (participates in β ladder)trans-95123.7180-171.6-132177.7-169.4-7.3110.3G22 A23 V24 V135 T137 M182 N185 V382 E383G22-R95 PolarHBondContact O-N 3.2Å; A23-R95 CarbonylContact C-O 3.51Å; A23-R95 VanDerWaalsContact CA-O 3.28Å; A23-R95 WeakPolarHBondContact CA-O 3.41Å; A23-R95 HydrophobicContact CB-CB 3.92Å; A23-R95 HydrophobicContact CB-CG 4.41Å; V24-R95 PolarHBondContact N-O 3.4Å; R95-V135 WeakPolarHBondContact CA-O 3.25Å; R95-V135 HydrophobicContact CB-CB 3.95Å; R95-V135 HydrophobicContact CB-CG1 4.27Å; R95-V135 HydrophobicContact CG-CB 4.05Å; R95-V135 HydrophobicContact CG-CG1 3.9Å; R95-V135 WeakPolarHBondContact CG-O 3.23Å; R95-T137 PolarHBondContact NE-OG1 2.61Å; R95-T137 PolarHBondContact NH2-OG1 2.76Å; R95-T137 VanDerWaalsContact NH2-OG1 3.09Å; R95-M182 HydrophobicContact CG-CE 4.03Å; R95-N185 PolarHBondContact NH2-OD1 3.05Å; R95-V382 PolarHBondContact NH1-O 2.96Å; R95-E383 IonicContact CZ-OE1 3.77Å; R95-E383 VanDerWaalsContact NH1-CD 3.28Å; R95-E383 IonicContact NH1-OE1 2.76Å; R95-E383 PolarHBondContact NH1-OE1 3.41Å; R95-E383 IonicContact NH2-OE1 3.86Å
96T98.9Very high98.9Very high1 Ų116.9 Ų16.91%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-141.4-175.5171.3-1700000109.9V24 F94 M123 V135 I136 T137V24-T96 WeakPolarHBondContact O-CA 3.42Å; F94-T96 HydrophobicContact CD1-CG2 4.38Å; F94-T96 HydrophobicContact CE1-CG2 4.05Å; T96-M123 HydrophobicContact CG2-CE 3.74Å; T96-V135 PolarHBondContact N-O 3.43Å; T96-I136 HydrophobicContact CG2-CD1 3.71Å; T96-I136 WeakPolarHBondContact O-CA 3.16Å; T96-T137 PolarHBondContact O-N 3.25Å
97S98.9Very high98.9Very high0 Ų016.9 Ų16.90%09%0.09CC..EExtended strand (participates in β ladder)trans-112.7154.5167.353.10000111.1A26 T137 H140 E142A26-S97 WeakPolarHBondContact CB-OG 3.45Å; A26-S97 PolarHBondContact N-OG 2.69Å; S97-T137 WeakPolarHBondContact CA-O 3.42Å; S97-T137 WeakPolarHBondContact CB-O 3.48Å; S97-H140 VanDerWaalsContact CB-CB 3.47Å; S97-E142 VanDerWaalsContact CB-OE1 3.22Å; S97-E142 WeakPolarHBondContact CB-OE1 3.43Å; S97-E142 PolarHBondContact OG-OE1 2.99Å
98I98.9Very high98.9Very high0 Ų017.4 Ų17.40%09%0.088CC..  trans-87.1117.9161.8-72171.8000106.4W100 I103 Y120 F124 I136 T137 F166 V170 Y174 W181I98-W100 PolarHBondContact O-N 3.19Å; I98-I103 HydrophobicContact CG2-CD1 4.11Å; I98-I103 HydrophobicContact CG2-CG1 3.64Å; I98-Y120 HydrophobicContact CB-CE1 4.45Å; I98-Y120 HydrophobicContact CB-CE2 4.26Å; I98-Y120 HydrophobicContact CG1-CD1 3.92Å; I98-Y120 HydrophobicContact CG1-CD2 4.22Å; I98-Y120 HydrophobicContact CG1-CE1 4.1Å; I98-Y120 HydrophobicContact CG1-CE2 4.37Å; I98-Y120 HydrophobicContact CG1-CG 4.02Å; I98-Y120 HydrophobicContact CG2-CD2 3.91Å; I98-Y120 HydrophobicContact CG2-CE2 3.64Å; I98-F124 HydrophobicContact CD1-CE2 4.23Å; I98-F124 HydrophobicContact CD1-CZ 4.01Å; I98-F124 HydrophobicContact CG1-CZ 4.05Å; I98-I136 HydrophobicContact CB-CG2 4.32Å; I98-I136 HydrophobicContact CD1-CG2 3.74Å; I98-I136 HydrophobicContact CG1-CG2 3.68Å; I98-T137 PolarHBondContact N-O 3.42Å; I98-F166 HydrophobicContact CB-CZ 4.32Å; I98-F166 HydrophobicContact CG2-CE2 3.8Å; I98-F166 HydrophobicContact CG2-CZ 3.92Å; I98-V170 HydrophobicContact CD1-CB 3.93Å; I98-V170 HydrophobicContact CD1-CG1 4.04Å; I98-V170 HydrophobicContact CD1-CG2 4.37Å; I98-V170 HydrophobicContact CG2-CG1 4.21Å; I98-Y174 HydrophobicContact CD1-CD2 3.88Å; I98-Y174 HydrophobicContact CD1-CE2 3.6Å; I98-W181 HydrophobicContact CD1-CZ3 4.21Å
99A98.9Very high98.9Very high0 Ų016 Ų160%08%0.082CC..  trans-60.6110.3174.400000109.3A26 T101 R102 Y120A26-A99 HydrophobicContact CB-CB 3.94Å; A99-T101 PolarHBondContact O-N 2.83Å; A99-T101 VanDerWaalsContact O-N 3.11Å; A99-R102 HydrophobicContact CB-CB 4.28Å; A99-R102 HydrophobicContact CB-CG 3.92Å; A99-R102 WeakPolarHBondContact O-CB 3.44Å; A99-R102 PolarHBondContact O-N 2.76Å; A99-Y120 VanDerWaalsContact CB-OH 3.28Å; A99-Y120 WeakPolarHBondContact CB-OH 3.41Å; A99-Y120 PolarHBondContact N-OH 2.93Å
100W98.9Very high98.9Very high1 Ų119.7 Ų19.70%0.00411%0.113CC..Hα-helixtrans-50.6-42.1179.7-170.7-13.4000110.7I98 R102 I103 F104 M143 P144 L147 W154 V159 F162 F163 F166I98-W100 PolarHBondContact O-N 3.19Å; W100-R102 VanDerWaalsContact C-N 3.25Å; W100-R102 PolarHBondContact O-N 3.11Å; W100-I103 PolarHBondContact O-N 2.96Å; W100-F104 PolarHBondContact O-N 3.25Å; W100-M143 HydrophobicContact CE3-CB 3.74Å; W100-M143 HydrophobicContact CZ3-CB 3.86Å; W100-P144 HydrophobicContact CD2-CG 4.17Å; W100-P144 HydrophobicContact CG-CG 3.96Å; W100-L147 HydrophobicContact CH2-CD1 3.95Å; W100-L147 HydrophobicContact CZ2-CD1 3.69Å; W100-W154 AromaticContact CH2-CZ2 3.95Å; W100-W154 HydrophobicContact CH2-CZ2 3.95Å; W100-W154 HydrophobicContact CZ3-CZ2 4.03Å; W100-V159 HydrophobicContact CH2-CG1 4.22Å; W100-F162 HydrophobicContact CZ2-CB 4.35Å; W100-F163 HydrophobicContact CE3-CD2 4.41Å; W100-F163 HydrophobicContact CH2-CB 3.69Å; W100-F163 AromaticContact CH2-CD2 3.96Å; W100-F163 HydrophobicContact CH2-CD2 3.96Å; W100-F163 HydrophobicContact CH2-CG 4.34Å; W100-F163 HydrophobicContact CZ2-CB 4.04Å; W100-F163 HydrophobicContact CZ3-CB 4.45Å; W100-F163 AromaticContact CZ3-CD2 3.89Å; W100-F163 HydrophobicContact CZ3-CD2 3.89Å; W100-F166 HydrophobicContact CB-CE1 4.28Å; W100-F166 HydrophobicContact CB-CZ 4.26Å; W100-F166 AromaticContact CD1-CD2 3.94Å; W100-F166 AromaticContact CD1-CG 3.72Å; W100-F166 HydrophobicContact CD2-CD1 4.08Å; W100-F166 HydrophobicContact CD2-CE1 4.46Å; W100-F166 HydrophobicContact CD2-CG 4.46Å; W100-F166 HydrophobicContact CG-CD1 4.02Å; W100-F166 HydrophobicContact CG-CD2 4.45Å; W100-F166 HydrophobicContact CG-CE1 4.18Å; W100-F166 HydrophobicContact CG-CG 4.15Å; W100-F166 HydrophobicContact CG-CZ 4.47Å; W100-F166 AromaticContact NE1-CG 3.82Å
101T98.9Very high98.9Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-68.2-13.517950.60000115.7K38 G39 A99 P105 P144K38-T101 WeakPolarHBondContact CA-O 3.42Å; K38-T101 VanDerWaalsContact CE-OG1 3.24Å; K38-T101 WeakPolarHBondContact CE-OG1 3.38Å; K38-T101 PolarHBondContact NZ-OG1 2.72Å; G39-T101 PolarHBondContact N-O 2.77Å; G39-T101 VanDerWaalsContact O-CB 3.24Å; G39-T101 WeakPolarHBondContact O-CB 3.48Å; A99-T101 PolarHBondContact O-N 2.83Å; A99-T101 VanDerWaalsContact O-N 3.11Å; T101-P105 VanDerWaalsContact O-CA 3.32Å; T101-P105 WeakPolarHBondContact O-CA 3.42Å; T101-P144 VanDerWaalsContact CG2-CA 3.44Å; T101-P144 HydrophobicContact CG2-CB 3.83Å; T101-P144 HydrophobicContact CG2-CG 3.83Å
102R98.9Very high98.9Very high0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-77.5-31.3167.4-74.8-165.6173.1-67.4-9.2111.6E30 G31 G32 K35 K38 Y76 A99 W100 N113 G116 Y120E30-R102 IonicContact OE2-CZ 2.81Å; E30-R102 IonicContact OE2-NE 3.26Å; E30-R102 PolarHBondContact OE2-NE 3.44Å; E30-R102 IonicContact OE2-NH2 3.91Å; G31-R102 PolarHBondContact O-NH2 3.21Å; G32-R102 PolarHBondContact O-NH2 2.82Å; K35-R102 PolarHBondContact O-NH1 3.46Å; K38-R102 HydrophobicContact CB-CG 3.95Å; K38-R102 HydrophobicContact CD-CG 3.7Å; K38-R102 HydrophobicContact CG-CG 3.69Å; Y76-R102 VanDerWaalsContact CD2-NH2 3.27Å; Y76-R102 VanDerWaalsContact CE2-CZ 3.43Å; A99-R102 HydrophobicContact CB-CB 4.28Å; A99-R102 HydrophobicContact CB-CG 3.92Å; A99-R102 WeakPolarHBondContact O-CB 3.44Å; A99-R102 PolarHBondContact O-N 2.76Å; W100-R102 VanDerWaalsContact C-N 3.25Å; W100-R102 PolarHBondContact O-N 3.11Å; R102-N113 VanDerWaalsContact O-CB 3.32Å; R102-N113 WeakPolarHBondContact O-CB 3.31Å; R102-N113 PolarHBondContact O-ND2 2.83Å; R102-G116 WeakPolarHBondContact O-CA 3.34Å; R102-Y120 HydrophobicContact CB-CE2 4.07Å
103I98.9Very high98.9Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-93.6-45.1-175.2-48.8-47.2000111.3I98 W100 P112 N113 L117 Y120 F166 V169 V170I98-I103 HydrophobicContact CG2-CD1 4.11Å; I98-I103 HydrophobicContact CG2-CG1 3.64Å; W100-I103 PolarHBondContact O-N 2.96Å; I103-P112 HydrophobicContact CG2-CB 3.82Å; I103-P112 CarbonylContact O-C 3.22Å; I103-P112 WeakPolarHBondContact O-CA 3.01Å; I103-N113 PolarHBondContact O-N 3.33Å; I103-L117 HydrophobicContact CD1-CD2 3.75Å; I103-L117 HydrophobicContact CD1-CG 4.12Å; I103-L117 HydrophobicContact CG1-CD2 4.42Å; I103-L117 HydrophobicContact CG2-CD2 3.96Å; I103-L117 HydrophobicContact CG2-CG 4.41Å; I103-Y120 HydrophobicContact CD1-CD2 4.01Å; I103-Y120 HydrophobicContact CD1-CE2 4.2Å; I103-F166 HydrophobicContact CB-CD2 3.93Å; I103-F166 HydrophobicContact CB-CE2 3.97Å; I103-F166 HydrophobicContact CG1-CD2 4.22Å; I103-F166 HydrophobicContact CG1-CE2 3.75Å; I103-F166 HydrophobicContact CG2-CD2 4.12Å; I103-F166 HydrophobicContact CG2-CE2 4.47Å; I103-V169 HydrophobicContact CG2-CG1 4.02Å; I103-V170 HydrophobicContact CG1-CG1 4.1Å; I103-V170 HydrophobicContact CG2-CG1 4.37Å
104F99Very high98.9Very high1 Ų128.9 Ų28.90%0.00416%0.155CC..SBendtrans-127.389.9173.9-70-86.8000108.2W100 K106 G107 E109 P112 P144 R165 F166 V169W100-F104 PolarHBondContact O-N 3.25Å; F104-K106 PolarHBondContact O-N 2.92Å; F104-K106 VanDerWaalsContact O-N 3.16Å; F104-G107 PolarHBondContact O-N 3.28Å; F104-E109 HydrophobicContact CD1-CB 4.13Å; F104-E109 WeakPolarHBondContact CD1-O 3.41Å; F104-E109 WeakPolarHBondContact CE1-O 3.25Å; F104-P112 HydrophobicContact CE1-CB 4.38Å; F104-P112 HydrophobicContact CE2-CB 4.13Å; F104-P112 HydrophobicContact CZ-CB 3.91Å; F104-P144 WeakPolarHBondContact O-CG 3.44Å; F104-R165 HydrophobicContact CZ-CG 4.11Å; F104-F166 HydrophobicContact CD2-CB 3.88Å; F104-F166 HydrophobicContact CD2-CD2 4.15Å; F104-F166 HydrophobicContact CD2-CG 4.48Å; F104-F166 HydrophobicContact CE2-CB 4.11Å; F104-V169 HydrophobicContact CE2-CB 4.27Å; F104-V169 HydrophobicContact CE2-CG2 4.05Å; F104-V169 HydrophobicContact CZ-CG2 3.91Å
105P98.9Very high98.9Very high24 Ų2434 Ų3416%0.15618%0.179CC..SBendtrans-51.3-38.6-173.9-31.838.3000114.8G37 T101 E109 N113G37-P105 WeakPolarHBondContact O-CG 3.2Å; T101-P105 VanDerWaalsContact O-CA 3.32Å; T101-P105 WeakPolarHBondContact O-CA 3.42Å; P105-E109 WeakPolarHBondContact CD-OE1 3.44Å; P105-N113 HydrophobicContact CG-CB 4.23Å
106K98.9Very high98.9Very high99 Ų9934 Ų3443%0.4318%0.179SC..SBendtrans-101.5-21.5174.4-61.2-169.8-57.1176.70112.5F104 E109 P144 H146 L147F104-K106 PolarHBondContact O-N 2.92Å; F104-K106 VanDerWaalsContact O-N 3.16Å; K106-E109 VanDerWaalsContact CB-OE1 3.27Å; K106-E109 WeakPolarHBondContact CB-OE1 3.44Å; K106-E109 WeakPolarHBondContact CG-OE1 3.43Å; K106-E109 PolarHBondContact N-OE1 3.48Å; K106-E109 PolarHBondContact N-OE2 2.95Å; K106-P144 WeakPolarHBondContact O-CB 3.38Å; K106-H146 HydrophobicContact CB-CB 3.89Å; K106-H146 HydrophobicContact CG-CB 4.27Å; K106-H146 WeakPolarHBondContact O-CB 3.38Å; K106-H146 PolarHBondContact O-CD2 3.4Å; K106-L147 WeakPolarHBondContact O-CD2 3.39Å; K106-L147 WeakPolarHBondContact O-CG 3.38Å
107G98.9Very high98.9Very high0 Ų034.2 Ų34.20%018%0.18CC..SBendtrans96.2-19.4178.400000113.7F104 E109 F162F104-G107 PolarHBondContact O-N 3.28Å; G107-E109 PolarHBondContact N-OE2 3.43Å; G107-F162 WeakPolarHBondContact O-CB 3.25Å
108D98.8Very high98.9Very high37 Ų3739.1 Ų39.120%0.19820%0.201CC..  trans-108.7-0.6-175.465.20.8000114.3H146 L147 Y151 F162 R165D108-H146 IonicContact OD1-CD2 3.94Å; D108-H146 IonicContact OD1-NE2 2.8Å; D108-H146 IonicContact OD2-CD2 3.48Å; D108-H146 IonicContact OD2-CE1 3.92Å; D108-H146 IonicContact OD2-NE2 3.42Å; D108-H146 PolarHBondContact OD2-NE2 3.42Å; D108-L147 HydrophobicContact CB-CD2 4.45Å; D108-Y151 HydrophobicContact CB-CE2 4.18Å; D108-Y151 WeakPolarHBondContact OD2-CE2 3.42Å; D108-Y151 PolarHBondContact OD2-OH 3.03Å; D108-F162 HydrophobicContact CB-CD1 4.33Å; D108-F162 HydrophobicContact CB-CE1 3.78Å; D108-F162 HydrophobicContact CB-CE2 4.08Å; D108-F162 HydrophobicContact CB-CZ 3.65Å; D108-R165 PolarHBondContact O-NH2 3.47Å
109E98.8Very high98.8Very high41 Ų4139.7 Ų39.719%0.19220%0.203CC..  trans-62.4144.9180-58.493.6154.200113.5F104 P105 K106 G107 R165F104-E109 HydrophobicContact CD1-CB 4.13Å; F104-E109 WeakPolarHBondContact CD1-O 3.41Å; F104-E109 WeakPolarHBondContact CE1-O 3.25Å; P105-E109 WeakPolarHBondContact CD-OE1 3.44Å; K106-E109 VanDerWaalsContact CB-OE1 3.27Å; K106-E109 WeakPolarHBondContact CB-OE1 3.44Å; K106-E109 WeakPolarHBondContact CG-OE1 3.43Å; K106-E109 PolarHBondContact N-OE1 3.48Å; K106-E109 PolarHBondContact N-OE2 2.95Å; G107-E109 PolarHBondContact N-OE2 3.43Å; E109-R165 PolarHBondContact O-NH1 2.84Å; E109-R165 PolarHBondContact O-NH2 2.6Å
110A98.4Very high98.8Very high80 Ų8039.7 Ų39.766%0.66120%0.203SC*.SBendtrans-68.8-35.8177.400000113.5
111Q98.7Very high98.9Very high152 Ų15240.7 Ų40.771%0.7121%0.209SC*.SBendtrans-113.2142.2-178.4-65.5-64.8-14.200110
112P98.9Very high98.9Very high35 Ų3543.1 Ų43.123%0.22722%0.222CC..  trans-71.6156.6174.132.6-35.5000111.2I103 F104 E114 L117 V169I103-P112 HydrophobicContact CG2-CB 3.82Å; I103-P112 CarbonylContact O-C 3.22Å; I103-P112 WeakPolarHBondContact O-CA 3.01Å; F104-P112 HydrophobicContact CE1-CB 4.38Å; F104-P112 HydrophobicContact CE2-CB 4.13Å; F104-P112 HydrophobicContact CZ-CB 3.91Å; P112-E114 PolarHBondContact O-N 2.83Å; P112-L117 HydrophobicContact CB-CD1 3.93Å; P112-L117 HydrophobicContact CG-CD1 3.82Å; P112-V169 HydrophobicContact CB-CG1 3.84Å; P112-V169 HydrophobicContact CB-CG2 4.49Å; P112-V169 HydrophobicContact CG-CG1 3.91Å; P112-V169 HydrophobicContact CG-CG2 4.32Å
113N98.9Very high98.9Very high34 Ų3443.1 Ų43.118%0.18222%0.222CC..  trans-75.6110.4170.4172.436.3000110.3G36 R102 I103 P105 E115 G116 L117G36-N113 PolarHBondContact O-ND2 3.47Å; R102-N113 VanDerWaalsContact O-CB 3.32Å; R102-N113 WeakPolarHBondContact O-CB 3.31Å; R102-N113 PolarHBondContact O-ND2 2.83Å; I103-N113 PolarHBondContact O-N 3.33Å; P105-N113 HydrophobicContact CG-CB 4.23Å; N113-E115 VanDerWaalsContact C-N 3.3Å; N113-E115 PolarHBondContact O-N 3.06Å; N113-E115 PolarHBondContact OD1-N 3.02Å; N113-G116 PolarHBondContact ND2-N 3.29Å; N113-G116 PolarHBondContact O-N 3.42Å; N113-L117 PolarHBondContact O-N 3.48Å; N113-L117 VanDerWaalsContact O-N 3.15Å
114E98.9Very high98.9Very high102 Ų10243.1 Ų43.148%0.47722%0.222SC..Hα-helixtrans-62.8-34-177.5179.455.4-153.100112.9P112 G116 L117 K118 R173P112-E114 PolarHBondContact O-N 2.83Å; E114-G116 VanDerWaalsContact C-N 3.31Å; E114-G116 PolarHBondContact O-N 3.18Å; E114-L117 PolarHBondContact O-N 3.3Å; E114-K118 WeakPolarHBondContact O-CB 3.24Å; E114-K118 PolarHBondContact O-N 3.48Å; E114-R173 VanDerWaalsContact CD-NH1 3.34Å; E114-R173 IonicContact OE1-CZ 3.62Å; E114-R173 IonicContact OE1-NH1 3Å; E114-R173 PolarHBondContact OE1-NH1 2.93Å; E114-R173 VanDerWaalsContact OE1-NH1 3.11Å; E114-R173 IonicContact OE1-NH2 3.21Å; E114-R173 PolarHBondContact OE1-NH2 3.08Å; E114-R173 IonicContact OE2-CZ 3.08Å; E114-R173 IonicContact OE2-NH1 3.33Å; E114-R173 PolarHBondContact OE2-NH1 3.1Å; E114-R173 IonicContact OE2-NH2 3.93Å
115E98.8Very high98.9Very high108 Ų10846.7 Ų46.751%0.50524%0.241SC..Hα-helixtrans-67.1-35.9179.3-165.9173.6178.100111.4G36 N113 K118 F119G36-E115 WeakPolarHBondContact CA-OE1 3.38Å; G36-E115 VanDerWaalsContact CA-OE2 3.3Å; G36-E115 WeakPolarHBondContact CA-OE2 3.14Å; N113-E115 VanDerWaalsContact C-N 3.3Å; N113-E115 PolarHBondContact O-N 3.06Å; N113-E115 PolarHBondContact OD1-N 3.02Å; E115-K118 PolarHBondContact O-N 2.83Å; E115-F119 PolarHBondContact O-N 3.19Å
116G98.9Very high98.9Very high0 Ų046.8 Ų46.80%024%0.239CC..Hα-helixtrans-65.4-41.6171.200000112.7R102 N113 E114 F119 Y120R102-G116 WeakPolarHBondContact O-CA 3.34Å; N113-G116 PolarHBondContact ND2-N 3.29Å; N113-G116 PolarHBondContact O-N 3.42Å; E114-G116 VanDerWaalsContact C-N 3.31Å; E114-G116 PolarHBondContact O-N 3.18Å; G116-F119 PolarHBondContact O-N 3.2Å; G116-Y120 WeakPolarHBondContact O-CD2 3.19Å; G116-Y120 PolarHBondContact O-N 3.42Å
117L98.9Very high98.9Very high5 Ų542 Ų423%0.02622%0.219CC..Hα-helixtrans-64.2-43.9174.9-68.2172000111.6I103 P112 N113 E114 F119 Y120 D121 V169 V170 R173 Y174I103-L117 HydrophobicContact CD1-CD2 3.75Å; I103-L117 HydrophobicContact CD1-CG 4.12Å; I103-L117 HydrophobicContact CG1-CD2 4.42Å; I103-L117 HydrophobicContact CG2-CD2 3.96Å; I103-L117 HydrophobicContact CG2-CG 4.41Å; P112-L117 HydrophobicContact CB-CD1 3.93Å; P112-L117 HydrophobicContact CG-CD1 3.82Å; N113-L117 PolarHBondContact O-N 3.48Å; N113-L117 VanDerWaalsContact O-N 3.15Å; E114-L117 PolarHBondContact O-N 3.3Å; L117-F119 VanDerWaalsContact C-N 3.32Å; L117-F119 PolarHBondContact O-N 3.03Å; L117-Y120 PolarHBondContact O-N 3.37Å; L117-D121 PolarHBondContact O-N 2.78Å; L117-V169 HydrophobicContact CD1-CG1 4.06Å; L117-V169 HydrophobicContact CD2-CG1 3.82Å; L117-V170 HydrophobicContact CD2-CG1 4.4Å; L117-R173 HydrophobicContact CD2-CB 4.41Å; L117-R173 HydrophobicContact CD2-CG 4.23Å; L117-Y174 VanDerWaalsContact CA-OH 3.25Å; L117-Y174 WeakPolarHBondContact CA-OH 3.07Å; L117-Y174 HydrophobicContact CD2-CE2 4.41Å; L117-Y174 WeakPolarHBondContact CD2-OH 3.46Å; L117-Y174 PolarHBondContact O-OH 3.04Å
118K98.9Very high98.9Very high102 Ų10244.5 Ų44.544%0.44323%0.232SC..Hα-helixtrans-60.2-40.4177.3175.4167.1170.241.80112.4E114 E115 Y120 D121 D122E114-K118 WeakPolarHBondContact O-CB 3.24Å; E114-K118 PolarHBondContact O-N 3.48Å; E115-K118 PolarHBondContact O-N 2.83Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-Y120 PolarHBondContact O-N 3.22Å; K118-D121 WeakPolarHBondContact O-CB 3.39Å; K118-D121 PolarHBondContact O-N 2.88Å; K118-D122 IonicContact NZ-OD1 2.72Å; K118-D122 PolarHBondContact NZ-OD1 3.28Å; K118-D122 IonicContact NZ-OD2 2.69Å; K118-D122 PolarHBondContact NZ-OD2 3.48Å; K118-D122 VanDerWaalsContact O-CG 3.27Å; K118-D122 PolarHBondContact O-N 2.89Å
119F98.9Very high98.9Very high12 Ų1248.8 Ų48.85%0.05325%0.248CC..Hα-helixtrans-56.7-47177.4168.8-109000111.9E30 Y76 Y79 E115 G116 L117 D122 M123E30-F119 HydrophobicContact CG-CE1 4.49Å; E30-F119 HydrophobicContact CG-CZ 4.5Å; E30-F119 WeakPolarHBondContact OE1-CE1 3.14Å; Y76-F119 HydrophobicContact CD2-CD1 4.39Å; Y76-F119 AromaticContact CD2-CD2 3.66Å; Y76-F119 HydrophobicContact CD2-CD2 3.66Å; Y76-F119 HydrophobicContact CD2-CE1 4.13Å; Y76-F119 AromaticContact CD2-CE2 3.36Å; Y76-F119 HydrophobicContact CD2-CE2 3.36Å; Y76-F119 HydrophobicContact CD2-CG 4.17Å; Y76-F119 AromaticContact CD2-CZ 3.63Å; Y76-F119 HydrophobicContact CD2-CZ 3.63Å; Y76-F119 HydrophobicContact CE2-CB 4.42Å; Y76-F119 HydrophobicContact CE2-CD1 4.32Å; Y76-F119 AromaticContact CE2-CD2 3.45Å; Y76-F119 HydrophobicContact CE2-CD2 3.45Å; Y76-F119 VanDerWaalsContact CE2-CD2 3.45Å; Y76-F119 AromaticContact CE2-CE2 3.7Å; Y76-F119 HydrophobicContact CE2-CE2 3.7Å; Y76-F119 AromaticContact CE2-CG 3.79Å; Y76-F119 HydrophobicContact CE2-CG 3.79Å; Y76-F119 HydrophobicContact CE2-CZ 4.24Å; Y76-F119 HydrophobicContact CG-CE2 4.25Å; Y79-F119 AromaticContact CD1-CE2 3.97Å; Y79-F119 HydrophobicContact CD1-CE2 3.97Å; Y79-F119 HydrophobicContact CE1-CE2 4.11Å; E115-F119 PolarHBondContact O-N 3.19Å; G116-F119 PolarHBondContact O-N 3.2Å; L117-F119 VanDerWaalsContact C-N 3.32Å; L117-F119 PolarHBondContact O-N 3.03Å; F119-D122 PolarHBondContact O-N 2.84Å; F119-M123 HydrophobicContact CZ-SD 4.39Å; F119-M123 WeakPolarHBondContact O-CB 3.04Å; F119-M123 PolarHBondContact O-N 2.91Å
120Y98.9Very high98.9Very high0 Ų050.6 Ų50.60%025%0.254CS..Hα-helixtrans-73.5-30.7178.2-68.6-69.8000112.8E30 I98 A99 R102 I103 G116 L117 K118 M123 F124 Y174E30-Y120 WeakPolarHBondContact OE1-CE1 3.32Å; E30-Y120 PolarHBondContact OE1-OH 3.11Å; E30-Y120 PolarHBondContact OE2-OH 3.5Å; I98-Y120 HydrophobicContact CB-CE1 4.45Å; I98-Y120 HydrophobicContact CB-CE2 4.26Å; I98-Y120 HydrophobicContact CG1-CD1 3.92Å; I98-Y120 HydrophobicContact CG1-CD2 4.22Å; I98-Y120 HydrophobicContact CG1-CE1 4.1Å; I98-Y120 HydrophobicContact CG1-CE2 4.37Å; I98-Y120 HydrophobicContact CG1-CG 4.02Å; I98-Y120 HydrophobicContact CG2-CD2 3.91Å; I98-Y120 HydrophobicContact CG2-CE2 3.64Å; A99-Y120 VanDerWaalsContact CB-OH 3.28Å; A99-Y120 WeakPolarHBondContact CB-OH 3.41Å; A99-Y120 PolarHBondContact N-OH 2.93Å; R102-Y120 HydrophobicContact CB-CE2 4.07Å; I103-Y120 HydrophobicContact CD1-CD2 4.01Å; I103-Y120 HydrophobicContact CD1-CE2 4.2Å; G116-Y120 WeakPolarHBondContact O-CD2 3.19Å; G116-Y120 PolarHBondContact O-N 3.42Å; L117-Y120 PolarHBondContact O-N 3.37Å; K118-Y120 VanDerWaalsContact C-N 3.33Å; K118-Y120 PolarHBondContact O-N 3.22Å; Y120-M123 HydrophobicContact CD1-CE 3.55Å; Y120-M123 HydrophobicContact CD1-SD 4.44Å; Y120-M123 HydrophobicContact CE1-CE 3.96Å; Y120-M123 PolarHBondContact O-N 2.75Å; Y120-F124 HydrophobicContact CD1-CE1 4.28Å; Y120-F124 HydrophobicContact CD1-CZ 4.05Å; Y120-F124 HydrophobicContact CG-CZ 4.36Å; Y120-F124 VanDerWaalsContact O-CB 3.27Å; Y120-F124 WeakPolarHBondContact O-CB 3.5Å; Y120-F124 WeakPolarHBondContact O-CD2 3.47Å; Y120-F124 WeakPolarHBondContact O-CG 3.46Å; Y120-F124 PolarHBondContact O-N 2.81Å; Y120-Y174 WeakPolarHBondContact CB-OH 3.26Å
121D98.9Very high98.9Very high23 Ų2353.4 Ų53.412%0.12326%0.258CS..Hα-helixtrans-55.6-51.8166.9-94.2-42.4000111.3L117 K118 M123 F124 D125 R173 K177L117-D121 PolarHBondContact O-N 2.78Å; K118-D121 WeakPolarHBondContact O-CB 3.39Å; K118-D121 PolarHBondContact O-N 2.88Å; D121-M123 PolarHBondContact O-N 3.04Å; D121-F124 PolarHBondContact O-N 3.46Å; D121-D125 WeakPolarHBondContact O-CB 3.41Å; D121-D125 PolarHBondContact O-N 3.44Å; D121-R173 IonicContact OD2-CZ 2.78Å; D121-R173 IonicContact OD2-NE 2.81Å; D121-R173 PolarHBondContact OD2-NE 2.82Å; D121-R173 IonicContact OD2-NH2 2.66Å; D121-R173 PolarHBondContact OD2-NH2 3.39Å; D121-K177 WeakPolarHBondContact OD1-CE 3.33Å; D121-K177 IonicContact OD1-NZ 3.14Å; D121-K177 PolarHBondContact OD1-NZ 3.04Å
122D98.9Very high98.9Very high51 Ų5146.1 Ų46.127%0.27322%0.224SC..Hα-helixtrans-64.9-40.1-177.6-64.6-24.3000111.2Y79 K118 F119 E126Y79-D122 WeakPolarHBondContact OH-CB 3.48Å; K118-D122 IonicContact NZ-OD1 2.72Å; K118-D122 PolarHBondContact NZ-OD1 3.28Å; K118-D122 IonicContact NZ-OD2 2.69Å; K118-D122 PolarHBondContact NZ-OD2 3.48Å; K118-D122 VanDerWaalsContact O-CG 3.27Å; K118-D122 PolarHBondContact O-N 2.89Å; F119-D122 PolarHBondContact O-N 2.84Å; D122-E126 PolarHBondContact O-N 3.14Å
123M98.9Very high98.9Very high0 Ų046.8 Ų46.80%022%0.224CC..Hα-helixtrans-67.1-44.8177-173.5-173.97600112.1F75 Y79 I83 T96 F119 Y120 D121 D125 E126 L127F75-M123 HydrophobicContact CE1-SD 3.72Å; F75-M123 HydrophobicContact CZ-SD 4.49Å; Y79-M123 HydrophobicContact CD2-CB 4.11Å; Y79-M123 HydrophobicContact CD2-CG 4.04Å; Y79-M123 HydrophobicContact CE2-CB 4.25Å; Y79-M123 HydrophobicContact CG-CG 4.47Å; I83-M123 HydrophobicContact CD1-CG 4.11Å; T96-M123 HydrophobicContact CG2-CE 3.74Å; F119-M123 HydrophobicContact CZ-SD 4.39Å; F119-M123 WeakPolarHBondContact O-CB 3.04Å; F119-M123 PolarHBondContact O-N 2.91Å; Y120-M123 HydrophobicContact CD1-CE 3.55Å; Y120-M123 HydrophobicContact CD1-SD 4.44Å; Y120-M123 HydrophobicContact CE1-CE 3.96Å; Y120-M123 PolarHBondContact O-N 2.75Å; D121-M123 PolarHBondContact O-N 3.04Å; M123-D125 VanDerWaalsContact C-N 3.35Å; M123-E126 PolarHBondContact O-N 2.81Å; M123-L127 WeakPolarHBondContact O-CG 3.39Å; M123-L127 PolarHBondContact O-N 2.86Å
124F98.9Very high98.9Very high0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-68.1-36.1177.8-60.5-21.9000111.6I98 Y120 D121 E126 L127 L128 P134 I136 Y174 K177 V178I98-F124 HydrophobicContact CD1-CE2 4.23Å; I98-F124 HydrophobicContact CD1-CZ 4.01Å; I98-F124 HydrophobicContact CG1-CZ 4.05Å; Y120-F124 HydrophobicContact CD1-CE1 4.28Å; Y120-F124 HydrophobicContact CD1-CZ 4.05Å; Y120-F124 HydrophobicContact CG-CZ 4.36Å; Y120-F124 VanDerWaalsContact O-CB 3.27Å; Y120-F124 WeakPolarHBondContact O-CB 3.5Å; Y120-F124 WeakPolarHBondContact O-CD2 3.47Å; Y120-F124 WeakPolarHBondContact O-CG 3.46Å; Y120-F124 PolarHBondContact O-N 2.81Å; D121-F124 PolarHBondContact O-N 3.46Å; F124-E126 VanDerWaalsContact C-N 3.32Å; F124-E126 PolarHBondContact O-N 3.05Å; F124-L127 HydrophobicContact CD1-CD1 4.16Å; F124-L127 PolarHBondContact O-N 3.41Å; F124-L128 WeakPolarHBondContact O-CB 3.48Å; F124-L128 WeakPolarHBondContact O-CG 3.22Å; F124-L128 PolarHBondContact O-N 2.99Å; F124-P134 HydrophobicContact CB-CG 4.27Å; F124-P134 HydrophobicContact CD1-CB 4.01Å; F124-P134 HydrophobicContact CD1-CG 4.02Å; F124-P134 HydrophobicContact CE1-CB 4.23Å; F124-P134 HydrophobicContact CG-CG 4.2Å; F124-I136 HydrophobicContact CE1-CD1 3.41Å; F124-I136 VanDerWaalsContact CE1-CD1 3.41Å; F124-I136 HydrophobicContact CE1-CG1 4.13Å; F124-I136 HydrophobicContact CZ-CD1 3.51Å; F124-I136 HydrophobicContact CZ-CG1 3.82Å; F124-Y174 AromaticContact CD2-CD1 3.64Å; F124-Y174 HydrophobicContact CD2-CD1 3.64Å; F124-Y174 HydrophobicContact CD2-CD2 4.46Å; F124-Y174 HydrophobicContact CD2-CE1 4.03Å; F124-Y174 AromaticContact CD2-CG 3.9Å; F124-Y174 HydrophobicContact CD2-CG 3.9Å; F124-Y174 AromaticContact CE2-CD1 3.75Å; F124-Y174 HydrophobicContact CE2-CD1 3.75Å; F124-Y174 AromaticContact CE2-CD2 3.76Å; F124-Y174 HydrophobicContact CE2-CD2 3.76Å; F124-Y174 AromaticContact CE2-CE1 3.99Å; F124-Y174 HydrophobicContact CE2-CE1 3.99Å; F124-Y174 HydrophobicContact CE2-CE2 4.02Å; F124-Y174 AromaticContact CE2-CG 3.65Å; F124-Y174 HydrophobicContact CE2-CG 3.65Å; F124-K177 HydrophobicContact CB-CB 4.47Å; F124-K177 HydrophobicContact CB-CD 4.32Å; F124-V178 HydrophobicContact CD2-CG2 3.74Å; F124-V178 HydrophobicContact CE2-CG2 3.66Å; F124-V178 HydrophobicContact CG-CG2 4.3Å; F124-V178 HydrophobicContact CZ-CG2 4.16Å
125D98.9Very high98.9Very high76 Ų7640.3 Ų40.341%0.40619%0.193SC..Hα-helixtrans-63.5-39.5173.9-73.3-17000111.6D121 M123 K129 K177D121-D125 WeakPolarHBondContact O-CB 3.41Å; D121-D125 PolarHBondContact O-N 3.44Å; M123-D125 VanDerWaalsContact C-N 3.35Å; D125-K129 VanDerWaalsContact O-CB 3.3Å; D125-K129 WeakPolarHBondContact O-CB 3.06Å; D125-K129 PolarHBondContact O-N 2.91Å; D125-K177 WeakPolarHBondContact OD1-CE 3.18Å; D125-K177 IonicContact OD1-NZ 2.74Å; D125-K177 PolarHBondContact OD1-NZ 2.85Å; D125-K177 IonicContact OD2-NZ 2.81Å; D125-K177 PolarHBondContact OD2-NZ 3.3Å
126E98.9Very high98.9Very high25 Ų2535.1 Ų35.112%0.11717%0.169CC..Hα-helixtrans-68.2-37.4175.4-159.272.8-145.700111.9Y79 K80 I83 D122 M123 F124 K129 Y130Y79-E126 HydrophobicContact CE2-CB 4.22Å; K80-E126 HydrophobicContact CB-CG 4.38Å; K80-E126 HydrophobicContact CG-CG 4.12Å; I83-E126 HydrophobicContact CB-CG 4.44Å; I83-E126 HydrophobicContact CD1-CB 3.95Å; I83-E126 HydrophobicContact CD1-CG 4.21Å; I83-E126 HydrophobicContact CG2-CG 4.18Å; D122-E126 PolarHBondContact O-N 3.14Å; M123-E126 PolarHBondContact O-N 2.81Å; F124-E126 VanDerWaalsContact C-N 3.32Å; F124-E126 PolarHBondContact O-N 3.05Å; E126-K129 WeakPolarHBondContact O-CB 3.44Å; E126-K129 WeakPolarHBondContact OE1-CD 3.33Å; E126-K129 IonicContact OE1-NZ 2.71Å; E126-K129 PolarHBondContact OE1-NZ 3.13Å; E126-Y130 VanDerWaalsContact O-CD2 3.26Å; E126-Y130 WeakPolarHBondContact O-CD2 3.19Å
127L98.9Very high98.9Very high0 Ų035.1 Ų35.10%017%0.169CC..Hα-helixtrans-62.4-51.5172.5-72.7171.1000111.6I83 F94 M123 F124 K129 Y130 N131 I132 P134I83-L127 HydrophobicContact CD1-CD2 3.84Å; I83-L127 HydrophobicContact CD1-CG 3.81Å; I83-L127 HydrophobicContact CG1-CD2 3.72Å; I83-L127 HydrophobicContact CG1-CG 4.27Å; I83-L127 HydrophobicContact CG2-CD2 4.04Å; F94-L127 HydrophobicContact CB-CD1 4.42Å; F94-L127 HydrophobicContact CB-CD2 3.81Å; F94-L127 HydrophobicContact CD1-CD1 3.91Å; F94-L127 HydrophobicContact CD1-CD2 3.88Å; F94-L127 HydrophobicContact CG-CD2 4.12Å; M123-L127 WeakPolarHBondContact O-CG 3.39Å; M123-L127 PolarHBondContact O-N 2.86Å; F124-L127 HydrophobicContact CD1-CD1 4.16Å; F124-L127 PolarHBondContact O-N 3.41Å; L127-K129 VanDerWaalsContact C-N 3.28Å; L127-K129 PolarHBondContact O-N 3.19Å; L127-Y130 CarbonylContact O-C 3.58Å; L127-Y130 PolarHBondContact O-N 3.05Å; L127-N131 PolarHBondContact O-N 3.46Å; L127-I132 CarbonylContact C-O 3.38Å; L127-I132 HydrophobicContact CB-CB 4.25Å; L127-I132 WeakPolarHBondContact CB-O 3.21Å; L127-I132 HydrophobicContact CD2-CB 4.1Å; L127-I132 HydrophobicContact CD2-CD1 4.39Å; L127-I132 HydrophobicContact CD2-CG2 3.87Å; L127-I132 WeakPolarHBondContact O-CB 3.39Å; L127-I132 PolarHBondContact O-N 2.75Å; L127-P134 HydrophobicContact CD1-CB 4.18Å; L127-P134 HydrophobicContact CD1-CG 4.03Å
128L98.9Very high98.9Very high52 Ų5234.9 Ų34.927%0.27217%0.167SC..Hα-helixtrans-66.2-30.1-176.5-68.5173.1000112.2F124 Y130 N131 K177F124-L128 WeakPolarHBondContact O-CB 3.48Å; F124-L128 WeakPolarHBondContact O-CG 3.22Å; F124-L128 PolarHBondContact O-N 2.99Å; L128-Y130 PolarHBondContact O-N 3.34Å; L128-N131 PolarHBondContact O-N 3.43Å; L128-K177 HydrophobicContact CD1-CB 3.89Å; L128-K177 HydrophobicContact CD1-CG 4.15Å
129K98.9Very high98.9Very high126 Ų12630.3 Ų30.355%0.54815%0.148SC..Hα-helixtrans-54.6-30.9169.8172.2-173.9169.4-167.90112.8D125 E126 L127D125-K129 VanDerWaalsContact O-CB 3.3Å; D125-K129 WeakPolarHBondContact O-CB 3.06Å; D125-K129 PolarHBondContact O-N 2.91Å; E126-K129 WeakPolarHBondContact O-CB 3.44Å; E126-K129 WeakPolarHBondContact OE1-CD 3.33Å; E126-K129 IonicContact OE1-NZ 2.71Å; E126-K129 PolarHBondContact OE1-NZ 3.13Å; L127-K129 VanDerWaalsContact C-N 3.28Å; L127-K129 PolarHBondContact O-N 3.19Å
130Y98.9Very high98.9Very high79 Ų7929.8 Ų29.831%0.3115%0.146SC..THydrogen-bonded Turntrans-99.611.2176.1-67.4-74000113.5I83 A87 E126 L127 L128 I132I83-Y130 HydrophobicContact CG2-CD2 3.78Å; I83-Y130 HydrophobicContact CG2-CE2 4.23Å; A87-Y130 HydrophobicContact CB-CD1 3.42Å; A87-Y130 VanDerWaalsContact CB-CD1 3.42Å; A87-Y130 HydrophobicContact CB-CD2 4.15Å; A87-Y130 HydrophobicContact CB-CE1 4.05Å; A87-Y130 HydrophobicContact CB-CG 3.48Å; A87-Y130 VanDerWaalsContact CB-CG 3.48Å; E126-Y130 VanDerWaalsContact O-CD2 3.26Å; E126-Y130 WeakPolarHBondContact O-CD2 3.19Å; L127-Y130 CarbonylContact O-C 3.58Å; L127-Y130 PolarHBondContact O-N 3.05Å; L128-Y130 PolarHBondContact O-N 3.34Å; Y130-I132 PolarHBondContact O-N 2.91Å
131N98.9Very high98.9Very high139 Ų13930.1 Ų30.174%0.74315%0.147SC*.THydrogen-bonded Turntrans56.336.7-172.5-57.5-63000113.3L127 L128L127-N131 PolarHBondContact O-N 3.46Å; L128-N131 PolarHBondContact O-N 3.43Å
132I98.9Very high98.9Very high0 Ų029.1 Ų29.10%014%0.142CC..  trans-97.9112.5173.7-54.4175.4000107.5I83 F86 A87 F91 F94 L127 Y130 P134I83-I132 HydrophobicContact CG2-CD1 4.45Å; F86-I132 HydrophobicContact CB-CD1 4.02Å; A87-I132 HydrophobicContact CB-CD1 4.2Å; F91-I132 HydrophobicContact CB-CD1 4.19Å; F91-I132 HydrophobicContact CB-CG1 4.33Å; F91-I132 HydrophobicContact CB-CG2 4.25Å; F94-I132 HydrophobicContact CB-CG2 3.69Å; L127-I132 CarbonylContact C-O 3.38Å; L127-I132 HydrophobicContact CB-CB 4.25Å; L127-I132 WeakPolarHBondContact CB-O 3.21Å; L127-I132 HydrophobicContact CD2-CB 4.1Å; L127-I132 HydrophobicContact CD2-CD1 4.39Å; L127-I132 HydrophobicContact CD2-CG2 3.87Å; L127-I132 WeakPolarHBondContact O-CB 3.39Å; L127-I132 PolarHBondContact O-N 2.75Å; Y130-I132 PolarHBondContact O-N 2.91Å; I132-P134 WeakPolarHBondContact O-CD 3.33Å
133E99Very high98.9Very high48 Ų4826.9 Ų26.922%0.22413%0.13CC..EExtended strand (participates in β ladder)trans-71.6125.8178.1-72.3-73.9171.700110.7K92 C93 F94 K179 Y180K92-E133 PolarHBondContact O-N 2.88Å; C93-E133 CarbonylContact C-O 3.53Å; C93-E133 WeakPolarHBondContact CA-O 3.35Å; C93-E133 HydrophobicContact CB-CB 4.22Å; C93-E133 WeakPolarHBondContact CB-O 3.44Å; F94-E133 PolarHBondContact N-O 3.28Å; E133-K179 WeakPolarHBondContact OE1-CE 3.46Å; E133-K179 WeakPolarHBondContact OE2-CD 3.39Å; E133-Y180 HydrophobicContact CB-CD2 4.46Å; E133-Y180 HydrophobicContact CB-CE2 4.17Å; E133-Y180 HydrophobicContact CG-CE2 4.44Å
134P99Very high98.9Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-69.4137.2173-1528.6000111.3F124 L127 I132 I136 K177 V178F124-P134 HydrophobicContact CB-CG 4.27Å; F124-P134 HydrophobicContact CD1-CB 4.01Å; F124-P134 HydrophobicContact CD1-CG 4.02Å; F124-P134 HydrophobicContact CE1-CB 4.23Å; F124-P134 HydrophobicContact CG-CG 4.2Å; L127-P134 HydrophobicContact CD1-CB 4.18Å; L127-P134 HydrophobicContact CD1-CG 4.03Å; I132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-I136 HydrophobicContact CB-CD1 4.1Å; P134-I136 HydrophobicContact CB-CG1 4.21Å; P134-K177 WeakPolarHBondContact CD-O 3.3Å; P134-V178 HydrophobicContact CB-CG1 4.41Å; P134-V178 HydrophobicContact CB-CG2 3.99Å; P134-V178 HydrophobicContact CG-CG2 4.23Å
135V99Very high98.9Very high0 Ų027.5 Ų27.50%013%0.133CC..EExtended strand (participates in β ladder)trans-119.5109.2170.5-178.10000108.2C93 F94 R95 T96 Y180 M182 F380C93-V135 HydrophobicContact CB-CG2 3.87Å; F94-V135 PolarHBondContact O-N 2.99Å; R95-V135 WeakPolarHBondContact CA-O 3.25Å; R95-V135 HydrophobicContact CB-CB 3.95Å; R95-V135 HydrophobicContact CB-CG1 4.27Å; R95-V135 HydrophobicContact CG-CB 4.05Å; R95-V135 HydrophobicContact CG-CG1 3.9Å; R95-V135 WeakPolarHBondContact CG-O 3.23Å; T96-V135 PolarHBondContact N-O 3.43Å; V135-Y180 WeakPolarHBondContact CA-O 3.36Å; V135-Y180 HydrophobicContact CG2-CD2 4.07Å; V135-Y180 HydrophobicContact CG2-CG 4.31Å; V135-M182 HydrophobicContact CG1-CE 3.79Å; V135-F380 HydrophobicContact CG1-CE2 4.22Å; V135-F380 HydrophobicContact CG2-CE2 4.11Å; V135-F380 HydrophobicContact CG2-CZ 4.2Å
136I98.9Very high98.9Very high0 Ų025.7 Ų25.70%012%0.122CC..EExtended strand (participates in β ladder)trans-110.1122.9-164.4-58.8-56.3000112.5T96 I98 F124 P134 V178 Y180 W181 M182T96-I136 HydrophobicContact CG2-CD1 3.71Å; T96-I136 WeakPolarHBondContact O-CA 3.16Å; I98-I136 HydrophobicContact CB-CG2 4.32Å; I98-I136 HydrophobicContact CD1-CG2 3.74Å; I98-I136 HydrophobicContact CG1-CG2 3.68Å; F124-I136 HydrophobicContact CE1-CD1 3.41Å; F124-I136 VanDerWaalsContact CE1-CD1 3.41Å; F124-I136 HydrophobicContact CE1-CG1 4.13Å; F124-I136 HydrophobicContact CZ-CD1 3.51Å; F124-I136 HydrophobicContact CZ-CG1 3.82Å; P134-I136 HydrophobicContact CB-CD1 4.1Å; P134-I136 HydrophobicContact CB-CG1 4.21Å; I136-V178 HydrophobicContact CB-CG1 4.07Å; I136-V178 HydrophobicContact CG1-CB 4.48Å; I136-V178 HydrophobicContact CG1-CG1 3.57Å; I136-V178 HydrophobicContact CG1-CG2 4.05Å; I136-Y180 PolarHBondContact N-O 3.33Å; I136-W181 HydrophobicContact CB-CD2 4.42Å; I136-W181 HydrophobicContact CB-CE3 3.71Å; I136-W181 HydrophobicContact CB-CZ3 3.89Å; I136-W181 HydrophobicContact CG1-CZ3 4.5Å; I136-W181 HydrophobicContact CG2-CE3 3.79Å; I136-W181 HydrophobicContact CG2-CZ3 3.66Å; I136-W181 CarbonylContact O-C 3.15Å; I136-W181 VanDerWaalsContact O-CA 3.22Å; I136-W181 WeakPolarHBondContact O-CA 3.3Å; I136-M182 PolarHBondContact O-N 2.91Å
137T98.9Very high98.9Very high0 Ų024.5 Ų24.50%012%0.116CC..EExtended strand (participates in β ladder)trans-90.4123.3168.7-45.20000109.3R95 T96 S97 I98 H140 M182 N185R95-T137 PolarHBondContact NE-OG1 2.61Å; R95-T137 PolarHBondContact NH2-OG1 2.76Å; R95-T137 VanDerWaalsContact NH2-OG1 3.09Å; T96-T137 PolarHBondContact O-N 3.25Å; S97-T137 WeakPolarHBondContact CA-O 3.42Å; S97-T137 WeakPolarHBondContact CB-O 3.48Å; I98-T137 PolarHBondContact N-O 3.42Å; T137-H140 HydrophobicContact CG2-CB 4.13Å; T137-M182 CarbonylContact C-O 3.42Å; T137-M182 WeakPolarHBondContact CA-O 3.36Å; T137-M182 HydrophobicContact CG2-CB 4.25Å; T137-N185 HydrophobicContact CG2-CB 3.96Å
138L98.9Very high98.9Very high0 Ų026 Ų260%013%0.126CC..EExtended strand (participates in β ladder)trans-69.9-50-177.6-68.2173.5000111.6F163 F166 A167 V170 F171 W181 M182 T183L138-F163 HydrophobicContact CB-CE2 3.98Å; L138-F163 HydrophobicContact CB-CZ 3.94Å; L138-F163 HydrophobicContact CD1-CZ 3.92Å; L138-F166 HydrophobicContact CB-CE1 4.13Å; L138-F166 HydrophobicContact CD2-CE1 4.32Å; L138-F166 VanDerWaalsContact O-CE1 3.3Å; L138-F166 WeakPolarHBondContact O-CE1 3.38Å; L138-A167 HydrophobicContact CD1-CB 3.84Å; L138-V170 HydrophobicContact CD2-CG2 3.48Å; L138-V170 VanDerWaalsContact CD2-CG2 3.48Å; L138-F171 HydrophobicContact CD1-CE1 4.3Å; L138-F171 HydrophobicContact CD1-CE2 4.39Å; L138-F171 HydrophobicContact CD1-CZ 3.74Å; L138-W181 HydrophobicContact CD2-CE3 3.94Å; L138-W181 HydrophobicContact CD2-CZ3 3.97Å; L138-W181 HydrophobicContact CG-CE3 4.47Å; L138-M182 PolarHBondContact N-O 3.06Å; L138-T183 HydrophobicContact CD1-CG2 4.49Å
139S98.9Very high98.9Very high6 Ų629 Ų294%0.04214%0.138CC..EExtended strand (participates in β ladder)trans-117.1109.2176.9-173.50000110.3T183 N185S139-T183 PolarHBondContact N-O 3.04Å; S139-N185 WeakPolarHBondContact O-CB 3.28Å; S139-N185 PolarHBondContact O-N 2.65Å
140H98.8Very high98.9Very high1 Ų129 Ų291%0.00514%0.14CC..SBendtrans-128.572177.7-159144.6000110.9A25 H27 S97 T137 E142 N185 E383 W431A25-H140 HydrophobicContact CB-CB 4.32Å; H27-H140 PolarHBondContact CE1-O 3.13Å; H27-H140 PolarHBondContact ND1-O 2.8Å; S97-H140 VanDerWaalsContact CB-CB 3.47Å; T137-H140 HydrophobicContact CG2-CB 4.13Å; H140-E142 VanDerWaalsContact C-N 3.3Å; H140-E142 PolarHBondContact O-N 3.19Å; H140-N185 HydrophobicContact CB-CB 4.12Å; H140-N185 PolarHBondContact CD2-ND2 3.49Å; H140-N185 PolarHBondContact CE1-OD1 2.99Å; H140-N185 VanDerWaalsContact CE1-OD1 3.31Å; H140-N185 VanDerWaalsContact NE2-CG 3.33Å; H140-N185 PolarHBondContact NE2-ND2 2.83Å; H140-E383 IonicContact CE1-OE1 2.76Å; H140-W431 AromaticContact CE1-CZ3 3.92Å
141F98.5Very high98.8Very high6 Ų627.8 Ų27.83%0.02614%0.135CC..SBendtrans61.328.3173.1-50.9-30.1000116.3C43 N185 E186 C201 F439C43-F141 PolarHBondContact SG-O 3.44Å; F141-N185 HydrophobicContact CE1-CB 4.4Å; F141-N185 VanDerWaalsContact CE2-ND2 3.29Å; F141-N185 WeakPolarHBondContact CE2-ND2 3.34Å; F141-N185 WeakPolarHBondContact CZ-ND2 3.43Å; F141-E186 HydrophobicContact CZ-CB 4.08Å; F141-C201 VanDerWaalsContact CA-O 3.25Å; F141-C201 WeakPolarHBondContact CA-O 3.39Å; F141-C201 HydrophobicContact CB-CB 3.9Å; F141-C201 HydrophobicContact CD1-CB 3.94Å; F141-C201 WeakPolarHBondContact CD1-O 3.49Å; F141-C201 HydrophobicContact CD2-CB 4.42Å; F141-C201 HydrophobicContact CG-CB 3.84Å; F141-F439 AromaticContact CD2-CD2 3.81Å; F141-F439 HydrophobicContact CD2-CD2 3.81Å; F141-F439 AromaticContact CD2-CE2 3.62Å; F141-F439 HydrophobicContact CD2-CE2 3.62Å; F141-F439 AromaticContact CE2-CD2 3.97Å; F141-F439 HydrophobicContact CE2-CD2 3.97Å; F141-F439 AromaticContact CE2-CE2 3.74Å; F141-F439 HydrophobicContact CE2-CE2 3.74Å; F141-F439 HydrophobicContact CG-CE2 4.3Å
142E98.8Very high98.8Very high3 Ų322.9 Ų22.91%0.01412%0.118CC..  trans-142.633.1-168.365-168.1138.700113.7A26 H27 S41 S97 H140A26-E142 WeakPolarHBondContact CB-OE2 3.22Å; H27-E142 HydrophobicContact CB-CB 4.02Å; H27-E142 PolarHBondContact N-OE2 3.25Å; H27-E142 VanDerWaalsContact N-OE2 3.15Å; S41-E142 WeakPolarHBondContact CB-O 3.28Å; S97-E142 VanDerWaalsContact CB-OE1 3.22Å; S97-E142 WeakPolarHBondContact CB-OE1 3.43Å; S97-E142 PolarHBondContact OG-OE1 2.99Å; H140-E142 VanDerWaalsContact C-N 3.3Å; H140-E142 PolarHBondContact O-N 3.19Å
143M98.9Very high98.8Very high3 Ų322.9 Ų22.92%0.01512%0.118CC..  trans-61.5154.4177.874.1179.7-70.400112S41 I42 W100 L145 L147 V148 S153 W154 V159S41-M143 VanDerWaalsContact CA-O 3.31Å; S41-M143 WeakPolarHBondContact CA-O 3.34Å; I42-M143 HydrophobicContact CD1-CG 4.17Å; I42-M143 HydrophobicContact CG1-CG 4.34Å; I42-M143 HydrophobicContact CG2-CG 3.8Å; I42-M143 PolarHBondContact N-O 2.98Å; W100-M143 HydrophobicContact CE3-CB 3.74Å; W100-M143 HydrophobicContact CZ3-CB 3.86Å; M143-L145 PolarHBondContact O-N 3.43Å; M143-L147 HydrophobicContact CE-CB 3.8Å; M143-L147 HydrophobicContact CE-CD1 4.28Å; M143-V148 HydrophobicContact CE-CG2 4.35Å; M143-V148 HydrophobicContact SD-CG2 4.33Å; M143-S153 WeakPolarHBondContact CE-OG 3.37Å; M143-S153 PolarHBondContact SD-OG 3.23Å; M143-W154 VanDerWaalsContact SD-CD1 3.57Å; M143-V159 HydrophobicContact CE-CG1 4.4Å
144P98.9Very high98.8Very high0 Ų020.6 Ų20.60%011%0.107CC..BIsolated β-bridgetrans-59.4130.1179.4-22.132.4000112.4W100 T101 F104 K106 H146 L147W100-P144 HydrophobicContact CD2-CG 4.17Å; W100-P144 HydrophobicContact CG-CG 3.96Å; T101-P144 VanDerWaalsContact CG2-CA 3.44Å; T101-P144 HydrophobicContact CG2-CB 3.83Å; T101-P144 HydrophobicContact CG2-CG 3.83Å; F104-P144 WeakPolarHBondContact O-CG 3.44Å; K106-P144 WeakPolarHBondContact O-CB 3.38Å; P144-H146 PolarHBondContact O-N 3.49Å; P144-L147 HydrophobicContact CB-CG 4.19Å; P144-L147 HydrophobicContact CG-CD1 4.32Å; P144-L147 HydrophobicContact CG-CG 4.38Å; P144-L147 PolarHBondContact O-N 3.48Å
145L98.9Very high98.8Very high13 Ų1322.7 Ų22.77%0.06812%0.12CC..Hα-helixtrans-58.8-34.8177.7179.361.8000111.5P40 V45 M143 L147 V148 Q149P40-L145 HydrophobicContact CB-CB 4.27Å; P40-L145 HydrophobicContact CB-CD2 4.19Å; P40-L145 HydrophobicContact CG-CB 4.33Å; P40-L145 HydrophobicContact CG-CD2 4.4Å; P40-L145 VanDerWaalsContact O-CB 3.28Å; P40-L145 WeakPolarHBondContact O-CB 3.33Å; P40-L145 PolarHBondContact O-N 2.81Å; V45-L145 HydrophobicContact CB-CD2 4.49Å; V45-L145 HydrophobicContact CG1-CD2 3.62Å; V45-L145 HydrophobicContact CG2-CD1 3.82Å; V45-L145 HydrophobicContact CG2-CD2 4.04Å; M143-L145 PolarHBondContact O-N 3.43Å; L145-L147 VanDerWaalsContact C-N 3.27Å; L145-L147 PolarHBondContact O-N 2.85Å; L145-V148 WeakPolarHBondContact O-CB 3.37Å; L145-V148 PolarHBondContact O-N 3.35Å; L145-V148 VanDerWaalsContact O-N 3.09Å; L145-Q149 HydrophobicContact CD1-CG 4.39Å; L145-Q149 HydrophobicContact CG-CG 4.32Å; L145-Q149 WeakPolarHBondContact O-CG 3.41Å; L145-Q149 PolarHBondContact O-N 3.11Å
146H98.9Very high98.8Very high38 Ų3824.8 Ų24.818%0.17613%0.131CC..Hα-helixtrans-57.9-37.2175.9175.687.1000112.5K106 D108 P144 V148 Q149 Q150K106-H146 HydrophobicContact CB-CB 3.89Å; K106-H146 HydrophobicContact CG-CB 4.27Å; K106-H146 WeakPolarHBondContact O-CB 3.38Å; K106-H146 PolarHBondContact O-CD2 3.4Å; D108-H146 IonicContact OD1-CD2 3.94Å; D108-H146 IonicContact OD1-NE2 2.8Å; D108-H146 IonicContact OD2-CD2 3.48Å; D108-H146 IonicContact OD2-CE1 3.92Å; D108-H146 IonicContact OD2-NE2 3.42Å; D108-H146 PolarHBondContact OD2-NE2 3.42Å; P144-H146 PolarHBondContact O-N 3.49Å; H146-V148 VanDerWaalsContact C-N 3.28Å; H146-V148 PolarHBondContact O-N 3.4Å; H146-Q149 PolarHBondContact O-N 2.91Å; H146-Q150 WeakPolarHBondContact O-CB 3.49Å; H146-Q150 PolarHBondContact O-N 3.45Å
147L98.9Very high98.8Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-65.6-34.2177.5-66.4-170.4000112.2W100 K106 D108 M143 P144 L145 Y151 S153 V159 F162W100-L147 HydrophobicContact CH2-CD1 3.95Å; W100-L147 HydrophobicContact CZ2-CD1 3.69Å; K106-L147 WeakPolarHBondContact O-CD2 3.39Å; K106-L147 WeakPolarHBondContact O-CG 3.38Å; D108-L147 HydrophobicContact CB-CD2 4.45Å; M143-L147 HydrophobicContact CE-CB 3.8Å; M143-L147 HydrophobicContact CE-CD1 4.28Å; P144-L147 HydrophobicContact CB-CG 4.19Å; P144-L147 HydrophobicContact CG-CD1 4.32Å; P144-L147 HydrophobicContact CG-CG 4.38Å; P144-L147 PolarHBondContact O-N 3.48Å; L145-L147 VanDerWaalsContact C-N 3.27Å; L145-L147 PolarHBondContact O-N 2.85Å; L147-Y151 HydrophobicContact CD2-CD2 3.84Å; L147-Y151 HydrophobicContact CD2-CE2 3.96Å; L147-Y151 WeakPolarHBondContact O-CB 3.21Å; L147-Y151 PolarHBondContact O-N 2.71Å; L147-S153 WeakPolarHBondContact O-CA 3.39Å; L147-S153 PolarHBondContact O-N 3.33Å; L147-V159 HydrophobicContact CD1-CG1 4.2Å; L147-F162 HydrophobicContact CD1-CB 4.34Å; L147-F162 HydrophobicContact CD1-CD2 4.31Å; L147-F162 HydrophobicContact CD2-CD2 3.59Å; L147-F162 HydrophobicContact CD2-CE2 3.92Å; L147-F162 HydrophobicContact CD2-CG 4.42Å
148V98.8Very high98.8Very high32 Ų3232 Ų3219%0.19416%0.161CC..Hα-helixtrans-65.5-52.1173.5-176.40000110.2I42 M143 L145 H146 G152 G204I42-V148 HydrophobicContact CG2-CG2 3.57Å; M143-V148 HydrophobicContact CE-CG2 4.35Å; M143-V148 HydrophobicContact SD-CG2 4.33Å; L145-V148 WeakPolarHBondContact O-CB 3.37Å; L145-V148 PolarHBondContact O-N 3.35Å; L145-V148 VanDerWaalsContact O-N 3.09Å; H146-V148 VanDerWaalsContact C-N 3.28Å; H146-V148 PolarHBondContact O-N 3.4Å; V148-G152 WeakPolarHBondContact O-CA 3.38Å; V148-G152 PolarHBondContact O-N 2.76Å; V148-G152 VanDerWaalsContact O-N 3.11Å; V148-G204 WeakPolarHBondContact CG1-O 3.49Å
149Q98.5Very high98.8Very high116 Ų11632 Ų3254%0.54216%0.161SC..Hα-helixtrans-68-42.1-174.3-67.6171.7-24.300113.2K59 L145 H146K59-Q149 PolarHBondContact O-NE2 2.93Å; K59-Q149 VanDerWaalsContact O-NE2 3.14Å; L145-Q149 HydrophobicContact CD1-CG 4.39Å; L145-Q149 HydrophobicContact CG-CG 4.32Å; L145-Q149 WeakPolarHBondContact O-CG 3.41Å; L145-Q149 PolarHBondContact O-N 3.11Å; H146-Q149 PolarHBondContact O-N 2.91Å
150Q98.8Very high98.8Very high125 Ų12531.8 Ų31.858%0.58416%0.16SC*.Hα-helixtrans-91-29.8-169.6-173.163.515.400113.4H146H146-Q150 WeakPolarHBondContact O-CB 3.49Å; H146-Q150 PolarHBondContact O-N 3.45Å
151Y98.8Very high98.8Very high54 Ų5436.4 Ų36.421%0.21219%0.185CC..Hα-helixtrans-117.8-7.7-173.4-61-88.5000113.5D108 L147 S153 N156 K158 F162D108-Y151 HydrophobicContact CB-CE2 4.18Å; D108-Y151 WeakPolarHBondContact OD2-CE2 3.42Å; D108-Y151 PolarHBondContact OD2-OH 3.03Å; L147-Y151 HydrophobicContact CD2-CD2 3.84Å; L147-Y151 HydrophobicContact CD2-CE2 3.96Å; L147-Y151 WeakPolarHBondContact O-CB 3.21Å; L147-Y151 PolarHBondContact O-N 2.71Å; Y151-S153 VanDerWaalsContact C-N 3.32Å; Y151-N156 WeakPolarHBondContact O-CB 3.38Å; Y151-N156 PolarHBondContact O-ND2 2.78Å; Y151-K158 HydrophobicContact CD1-CD 4.12Å; Y151-K158 HydrophobicContact CE1-CD 4.02Å; Y151-F162 HydrophobicContact CD1-CE2 4.1Å; Y151-F162 HydrophobicContact CD2-CE2 4.06Å; Y151-F162 AromaticContact CE1-CE2 3.84Å; Y151-F162 HydrophobicContact CE1-CE2 3.84Å; Y151-F162 AromaticContact CE1-CZ 3.94Å; Y151-F162 HydrophobicContact CE1-CZ 3.94Å; Y151-F162 AromaticContact CE2-CE2 3.79Å; Y151-F162 HydrophobicContact CE2-CE2 3.79Å; Y151-F162 HydrophobicContact CE2-CZ 4.22Å; Y151-F162 HydrophobicContact CG-CE2 4.21Å; Y151-F162 AromaticContact CZ-CE2 3.67Å; Y151-F162 AromaticContact CZ-CZ 3.72Å
152G98.4Very high98.8Very high36 Ų3637.4 Ų37.437%0.37119%0.189SC..  trans76.523.5-169.200000112.4V148 T155V148-G152 WeakPolarHBondContact O-CA 3.38Å; V148-G152 PolarHBondContact O-N 2.76Å; V148-G152 VanDerWaalsContact O-N 3.11Å; G152-T155 PolarHBondContact O-OG1 3.15Å
153S98.7Very high98.8Very high0 Ų037.3 Ų37.30%019%0.188CC..G310 helixtrans59-149.4-179.3-155.80000113.6M143 L147 Y151 T155 N156 V159 S203 G204M143-S153 WeakPolarHBondContact CE-OG 3.37Å; M143-S153 PolarHBondContact SD-OG 3.23Å; L147-S153 WeakPolarHBondContact O-CA 3.39Å; L147-S153 PolarHBondContact O-N 3.33Å; Y151-S153 VanDerWaalsContact C-N 3.32Å; S153-T155 PolarHBondContact O-N 2.65Å; S153-N156 WeakPolarHBondContact O-CB 3.21Å; S153-N156 PolarHBondContact O-N 3.23Å; S153-V159 VanDerWaalsContact O-CG2 3.27Å; S153-V159 WeakPolarHBondContact O-CG2 3.42Å; S153-S203 WeakPolarHBondContact CB-O 3.34Å; S153-S203 PolarHBondContact OG-O 3.1Å; S153-G204 WeakPolarHBondContact CB-O 3.17Å; S153-G204 WeakPolarHBondContact OG-CA 3.27Å
154W98.9Very high98.8Very high0 Ų038 Ų380%019%0.193CC..G310 helixtrans-62.4-5.3-179-77.796.6000115.5W100 M143 N156 V159 V160 F163 F184 S203 V220 H223 Q224 A227W100-W154 AromaticContact CH2-CZ2 3.95Å; W100-W154 HydrophobicContact CH2-CZ2 3.95Å; W100-W154 HydrophobicContact CZ3-CZ2 4.03Å; M143-W154 VanDerWaalsContact SD-CD1 3.57Å; W154-N156 PolarHBondContact O-N 3.36Å; W154-V159 HydrophobicContact CD2-CB 4.4Å; W154-V159 HydrophobicContact CD2-CG1 3.65Å; W154-V159 HydrophobicContact CE3-CB 4.35Å; W154-V159 HydrophobicContact CE3-CG1 3.95Å; W154-V159 HydrophobicContact CG-CG1 4.1Å; W154-V159 HydrophobicContact CH2-CG1 4.18Å; W154-V159 HydrophobicContact CZ2-CG1 3.89Å; W154-V159 HydrophobicContact CZ3-CG1 4.21Å; W154-V160 HydrophobicContact CZ3-CG2 4.18Å; W154-F163 HydrophobicContact CH2-CB 3.5Å; W154-F163 VanDerWaalsContact CH2-CB 3.5Å; W154-F163 HydrophobicContact CH2-CD1 4.35Å; W154-F163 HydrophobicContact CH2-CD2 4.33Å; W154-F163 AromaticContact CH2-CG 3.81Å; W154-F163 HydrophobicContact CH2-CG 3.81Å; W154-F163 HydrophobicContact CZ2-CB 3.83Å; W154-F163 HydrophobicContact CZ2-CD2 4.13Å; W154-F163 HydrophobicContact CZ2-CG 4.05Å; W154-F184 AromaticContact CH2-CE1 3.85Å; W154-F184 HydrophobicContact CH2-CE1 3.85Å; W154-F184 AromaticContact CH2-CZ 3.64Å; W154-F184 HydrophobicContact CH2-CZ 3.64Å; W154-F184 AromaticContact CZ2-CE1 3.54Å; W154-F184 HydrophobicContact CZ2-CE1 3.54Å; W154-F184 AromaticContact CZ2-CZ 3.84Å; W154-F184 HydrophobicContact CZ2-CZ 3.84Å; W154-F184 HydrophobicContact CZ3-CZ 4.43Å; W154-S203 VanDerWaalsContact CD1-O 3.31Å; W154-V220 HydrophobicContact CB-CB 4.48Å; W154-V220 HydrophobicContact CB-CG1 3.86Å; W154-V220 HydrophobicContact CB-CG2 4.2Å; W154-H223 HydrophobicContact CE3-CB 3.96Å; W154-H223 HydrophobicContact CZ3-CB 4.35Å; W154-H223 PolarHBondContact O-ND1 2.74Å; W154-Q224 HydrophobicContact CD2-CG 3.8Å; W154-Q224 HydrophobicContact CE3-CG 3.68Å; W154-Q224 HydrophobicContact CG-CG 4.34Å; W154-Q224 HydrophobicContact CH2-CG 4.39Å; W154-Q224 HydrophobicContact CZ2-CG 4.5Å; W154-Q224 HydrophobicContact CZ3-CG 3.99Å; W154-A227 HydrophobicContact CH2-CB 3.75Å; W154-A227 HydrophobicContact CZ3-CB 3.8Å
155T98.8Very high98.8Very high44 Ų4441.4 Ų41.427%0.2721%0.206SC..G310 helixtrans-63.9-22.3166.268.70000111.4G152 S153 V205 T216 V220 H223G152-T155 PolarHBondContact O-OG1 3.15Å; S153-T155 PolarHBondContact O-N 2.65Å; T155-V205 HydrophobicContact CG2-CG1 4.28Å; T155-V205 HydrophobicContact CG2-CG2 3.75Å; T155-T216 HydrophobicContact CG2-CG2 3.94Å; T155-V220 HydrophobicContact CG2-CG2 4.06Å; T155-H223 PolarHBondContact O-CE1 3.34Å
156N98.9Very high98.8Very high44 Ų4440.8 Ų40.824%0.23520%0.203CC..SBendtrans-99.3125.3-177.1-163.6-39.4000112Y151 S153 W154 K158 V159Y151-N156 WeakPolarHBondContact O-CB 3.38Å; Y151-N156 PolarHBondContact O-ND2 2.78Å; S153-N156 WeakPolarHBondContact O-CB 3.21Å; S153-N156 PolarHBondContact O-N 3.23Å; W154-N156 PolarHBondContact O-N 3.36Å; N156-K158 PolarHBondContact O-N 3.01Å; N156-K158 VanDerWaalsContact O-N 3.09Å; N156-K158 PolarHBondContact OD1-N 3.29Å; N156-K158 VanDerWaalsContact OD1-N 3.15Å; N156-V159 HydrophobicContact CB-CG2 4.46Å; N156-V159 WeakPolarHBondContact O-CB 3.34Å; N156-V159 PolarHBondContact O-N 2.84Å
157R98.9Very high98.8Very high37 Ų3739 Ų3914%0.1419%0.194CC..THydrogen-bonded Turntrans-54.4-31.3179.7-17760176.5-155.2-2.9113.6V159 V160 E303 D306R157-V159 PolarHBondContact O-N 3.46Å; R157-V159 VanDerWaalsContact O-N 3.15Å; R157-V160 VanDerWaalsContact O-CB 3.23Å; R157-V160 WeakPolarHBondContact O-CB 3.27Å; R157-V160 WeakPolarHBondContact O-CG2 3.47Å; R157-V160 PolarHBondContact O-N 3.4Å; R157-E303 IonicContact CZ-OE2 3.59Å; R157-E303 IonicContact NE-OE1 3.68Å; R157-E303 IonicContact NE-OE2 3.51Å; R157-E303 PolarHBondContact NE-OE2 3.5Å; R157-E303 VanDerWaalsContact NE-OE2 3.08Å; R157-E303 IonicContact NH2-OE2 2.7Å; R157-E303 PolarHBondContact NH2-OE2 3.16Å; R157-D306 IonicContact CZ-OD1 3.6Å; R157-D306 IonicContact CZ-OD2 2.82Å; R157-D306 IonicContact NH1-OD1 3.58Å; R157-D306 PolarHBondContact NH1-OD1 2.8Å; R157-D306 IonicContact NH1-OD2 2.84Å; R157-D306 PolarHBondContact NH1-OD2 3.19Å; R157-D306 IonicContact NH2-OD1 3.94Å; R157-D306 PolarHBondContact NH2-OD1 2.84Å; R157-D306 IonicContact NH2-OD2 3.02Å; R157-D306 PolarHBondContact NH2-OD2 2.89Å
158K98.9Very high98.8Very high114 Ų11442.2 Ų42.250%0.49621%0.209SC..Hα-helixtrans-58.6-27.7178-67.2-176.7177.6680113.5Y151 N156 V160 D161 F162Y151-K158 HydrophobicContact CD1-CD 4.12Å; Y151-K158 HydrophobicContact CE1-CD 4.02Å; N156-K158 PolarHBondContact O-N 3.01Å; N156-K158 VanDerWaalsContact O-N 3.09Å; N156-K158 PolarHBondContact OD1-N 3.29Å; N156-K158 VanDerWaalsContact OD1-N 3.15Å; K158-V160 PolarHBondContact O-N 3.41Å; K158-D161 PolarHBondContact O-N 2.84Å; K158-D161 VanDerWaalsContact O-N 3.17Å; K158-F162 HydrophobicContact CB-CE2 4.05Å; K158-F162 HydrophobicContact CB-CZ 4.3Å; K158-F162 WeakPolarHBondContact O-CD2 3.46Å; K158-F162 WeakPolarHBondContact O-CG 3.44Å; K158-F162 PolarHBondContact O-N 3.08Å; K158-F162 VanDerWaalsContact O-N 3.16Å
159V98.9Very high98.8Very high0 Ų042.2 Ų42.20%021%0.209CC..Hα-helixtrans-67.5-24.2179.3-179.30000111.8W100 M143 L147 S153 W154 N156 R157 F162 F163W100-V159 HydrophobicContact CH2-CG1 4.22Å; M143-V159 HydrophobicContact CE-CG1 4.4Å; L147-V159 HydrophobicContact CD1-CG1 4.2Å; S153-V159 VanDerWaalsContact O-CG2 3.27Å; S153-V159 WeakPolarHBondContact O-CG2 3.42Å; W154-V159 HydrophobicContact CD2-CB 4.4Å; W154-V159 HydrophobicContact CD2-CG1 3.65Å; W154-V159 HydrophobicContact CE3-CB 4.35Å; W154-V159 HydrophobicContact CE3-CG1 3.95Å; W154-V159 HydrophobicContact CG-CG1 4.1Å; W154-V159 HydrophobicContact CH2-CG1 4.18Å; W154-V159 HydrophobicContact CZ2-CG1 3.89Å; W154-V159 HydrophobicContact CZ3-CG1 4.21Å; N156-V159 HydrophobicContact CB-CG2 4.46Å; N156-V159 WeakPolarHBondContact O-CB 3.34Å; N156-V159 PolarHBondContact O-N 2.84Å; R157-V159 PolarHBondContact O-N 3.46Å; R157-V159 VanDerWaalsContact O-N 3.15Å; V159-F162 HydrophobicContact CG2-CD2 4.27Å; V159-F162 PolarHBondContact O-N 3.01Å; V159-F163 WeakPolarHBondContact O-CB 3.19Å; V159-F163 PolarHBondContact O-N 2.9Å
160V98.9Very high98.9Very high1 Ų136.7 Ų36.71%0.00618%0.183CC..Hα-helixtrans-56.5-52.3169.5176.30000110W154 R157 K158 F162 F163 V164 H223 V226 A227 L230W154-V160 HydrophobicContact CZ3-CG2 4.18Å; R157-V160 VanDerWaalsContact O-CB 3.23Å; R157-V160 WeakPolarHBondContact O-CB 3.27Å; R157-V160 WeakPolarHBondContact O-CG2 3.47Å; R157-V160 PolarHBondContact O-N 3.4Å; K158-V160 PolarHBondContact O-N 3.41Å; V160-F162 PolarHBondContact O-N 3.28Å; V160-F163 PolarHBondContact O-N 3.43Å; V160-V164 HydrophobicContact CG1-CG2 4.48Å; V160-V164 VanDerWaalsContact O-CG2 3.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.38Å; V160-V164 PolarHBondContact O-N 3.29Å; V160-H223 HydrophobicContact CG2-CB 3.67Å; V160-V226 HydrophobicContact CG1-CG1 4.22Å; V160-A227 HydrophobicContact CB-CB 4.47Å; V160-A227 HydrophobicContact CG1-CB 3.99Å; V160-A227 HydrophobicContact CG2-CB 4.49Å; V160-L230 HydrophobicContact CG1-CD1 3.77Å
161D98.9Very high98.9Very high99 Ų9930.7 Ų30.753%0.52916%0.156SC..Hα-helixtrans-66.7-37.9-178.8-57.7-49.8000112K158 V164 R165K158-D161 PolarHBondContact O-N 2.84Å; K158-D161 VanDerWaalsContact O-N 3.17Å; D161-V164 PolarHBondContact O-N 3.02Å; D161-R165 WeakPolarHBondContact O-CB 3.32Å; D161-R165 PolarHBondContact O-N 3.08Å
162F98.9Very high98.9Very high27 Ų2732.6 Ų32.612%0.11817%0.166CC..Hα-helixtrans-61.9-43.7175.6-62.6-31.7000112.1W100 G107 D108 L147 Y151 K158 V159 V160 F166W100-F162 HydrophobicContact CZ2-CB 4.35Å; G107-F162 WeakPolarHBondContact O-CB 3.25Å; D108-F162 HydrophobicContact CB-CD1 4.33Å; D108-F162 HydrophobicContact CB-CE1 3.78Å; D108-F162 HydrophobicContact CB-CE2 4.08Å; D108-F162 HydrophobicContact CB-CZ 3.65Å; L147-F162 HydrophobicContact CD1-CB 4.34Å; L147-F162 HydrophobicContact CD1-CD2 4.31Å; L147-F162 HydrophobicContact CD2-CD2 3.59Å; L147-F162 HydrophobicContact CD2-CE2 3.92Å; L147-F162 HydrophobicContact CD2-CG 4.42Å; Y151-F162 HydrophobicContact CD1-CE2 4.1Å; Y151-F162 HydrophobicContact CD2-CE2 4.06Å; Y151-F162 AromaticContact CE1-CE2 3.84Å; Y151-F162 HydrophobicContact CE1-CE2 3.84Å; Y151-F162 AromaticContact CE1-CZ 3.94Å; Y151-F162 HydrophobicContact CE1-CZ 3.94Å; Y151-F162 AromaticContact CE2-CE2 3.79Å; Y151-F162 HydrophobicContact CE2-CE2 3.79Å; Y151-F162 HydrophobicContact CE2-CZ 4.22Å; Y151-F162 HydrophobicContact CG-CE2 4.21Å; Y151-F162 AromaticContact CZ-CE2 3.67Å; Y151-F162 AromaticContact CZ-CZ 3.72Å; K158-F162 HydrophobicContact CB-CE2 4.05Å; K158-F162 HydrophobicContact CB-CZ 4.3Å; K158-F162 WeakPolarHBondContact O-CD2 3.46Å; K158-F162 WeakPolarHBondContact O-CG 3.44Å; K158-F162 PolarHBondContact O-N 3.08Å; K158-F162 VanDerWaalsContact O-N 3.16Å; V159-F162 HydrophobicContact CG2-CD2 4.27Å; V159-F162 PolarHBondContact O-N 3.01Å; V160-F162 PolarHBondContact O-N 3.28Å; F162-F166 PolarHBondContact O-N 2.8Å; F162-F166 VanDerWaalsContact O-N 3.08Å
163F99Very high98.9Very high0 Ų034.6 Ų34.60%016%0.163CC..Hα-helixtrans-65.6-45.2175175.6-95.8000111.9W100 L138 W154 V159 V160 R165 F166 A167 F184 A227 A231W100-F163 HydrophobicContact CE3-CD2 4.41Å; W100-F163 HydrophobicContact CH2-CB 3.69Å; W100-F163 AromaticContact CH2-CD2 3.96Å; W100-F163 HydrophobicContact CH2-CD2 3.96Å; W100-F163 HydrophobicContact CH2-CG 4.34Å; W100-F163 HydrophobicContact CZ2-CB 4.04Å; W100-F163 HydrophobicContact CZ3-CB 4.45Å; W100-F163 AromaticContact CZ3-CD2 3.89Å; W100-F163 HydrophobicContact CZ3-CD2 3.89Å; L138-F163 HydrophobicContact CB-CE2 3.98Å; L138-F163 HydrophobicContact CB-CZ 3.94Å; L138-F163 HydrophobicContact CD1-CZ 3.92Å; W154-F163 HydrophobicContact CH2-CB 3.5Å; W154-F163 VanDerWaalsContact CH2-CB 3.5Å; W154-F163 HydrophobicContact CH2-CD1 4.35Å; W154-F163 HydrophobicContact CH2-CD2 4.33Å; W154-F163 AromaticContact CH2-CG 3.81Å; W154-F163 HydrophobicContact CH2-CG 3.81Å; W154-F163 HydrophobicContact CZ2-CB 3.83Å; W154-F163 HydrophobicContact CZ2-CD2 4.13Å; W154-F163 HydrophobicContact CZ2-CG 4.05Å; V159-F163 WeakPolarHBondContact O-CB 3.19Å; V159-F163 PolarHBondContact O-N 2.9Å; V160-F163 PolarHBondContact O-N 3.43Å; F163-R165 VanDerWaalsContact C-N 3.32Å; F163-R165 PolarHBondContact O-N 3.17Å; F163-F166 HydrophobicContact CD2-CD1 4.23Å; F163-F166 HydrophobicContact CE2-CD1 4.36Å; F163-F166 WeakPolarHBondContact O-CB 3.3Å; F163-F166 PolarHBondContact O-N 2.8Å; F163-F166 VanDerWaalsContact O-N 3.17Å; F163-A167 HydrophobicContact CE1-CB 4.49Å; F163-A167 WeakPolarHBondContact O-CB 3.34Å; F163-A167 PolarHBondContact O-N 3.28Å; F163-F184 HydrophobicContact CD1-CE2 4.49Å; F163-F184 AromaticContact CD1-CZ 3.95Å; F163-F184 HydrophobicContact CD1-CZ 3.95Å; F163-F184 HydrophobicContact CD2-CE1 4.26Å; F163-F184 HydrophobicContact CD2-CZ 4.09Å; F163-F184 AromaticContact CE1-CE2 3.88Å; F163-F184 HydrophobicContact CE1-CE2 3.88Å; F163-F184 AromaticContact CE1-CZ 3.7Å; F163-F184 HydrophobicContact CE1-CZ 3.7Å; F163-F184 HydrophobicContact CE2-CE1 4.04Å; F163-F184 AromaticContact CE2-CZ 3.87Å; F163-F184 HydrophobicContact CE2-CZ 3.87Å; F163-F184 HydrophobicContact CG-CZ 4.12Å; F163-F184 HydrophobicContact CZ-CE1 4.23Å; F163-F184 AromaticContact CZ-CE2 3.89Å; F163-F184 HydrophobicContact CZ-CE2 3.89Å; F163-F184 AromaticContact CZ-CZ 3.65Å; F163-F184 HydrophobicContact CZ-CZ 3.65Å; F163-A227 HydrophobicContact CD1-CB 3.75Å; F163-A227 HydrophobicContact CE1-CB 4.33Å; F163-A227 HydrophobicContact CG-CB 4.47Å; F163-A231 HydrophobicContact CE1-CB 3.99Å
164V98.9Very high98.9Very high19 Ų1934.6 Ų34.612%0.11516%0.163CC..Hα-helixtrans-63.9-39.9-178.8172.80000110.9V160 D161 A167 E168 L230V160-V164 HydrophobicContact CG1-CG2 4.48Å; V160-V164 VanDerWaalsContact O-CG2 3.26Å; V160-V164 WeakPolarHBondContact O-CG2 3.38Å; V160-V164 PolarHBondContact O-N 3.29Å; D161-V164 PolarHBondContact O-N 3.02Å; V164-A167 PolarHBondContact O-N 2.83Å; V164-E168 HydrophobicContact CG1-CG 4.44Å; V164-E168 WeakPolarHBondContact O-CB 3.2Å; V164-E168 WeakPolarHBondContact O-CG 3.2Å; V164-E168 PolarHBondContact O-N 2.85Å; V164-L230 HydrophobicContact CG1-CB 4.29Å; V164-L230 HydrophobicContact CG2-CB 3.52Å; V164-L230 HydrophobicContact CG2-CD1 3.94Å; V164-L230 HydrophobicContact CG2-CG 4.38Å
165R98.9Very high98.9Very high70 Ų7037.1 Ų37.126%0.26417%0.174SC..Hα-helixtrans-63.1-42.3173.4-176.2173.859.7178.9-2.1112F104 D108 E109 D161 F163 E168 V169F104-R165 HydrophobicContact CZ-CG 4.11Å; D108-R165 PolarHBondContact O-NH2 3.47Å; E109-R165 PolarHBondContact O-NH1 2.84Å; E109-R165 PolarHBondContact O-NH2 2.6Å; D161-R165 WeakPolarHBondContact O-CB 3.32Å; D161-R165 PolarHBondContact O-N 3.08Å; F163-R165 VanDerWaalsContact C-N 3.32Å; F163-R165 PolarHBondContact O-N 3.17Å; R165-E168 PolarHBondContact O-N 2.93Å; R165-V169 WeakPolarHBondContact O-CG2 3.45Å; R165-V169 PolarHBondContact O-N 2.99Å
166F98.9Very high98.9Very high0 Ų042.7 Ų42.70%020%0.196CC..Hα-helixtrans-58.1-49.6172.4159.7-116.1000111.7I98 W100 I103 F104 L138 F162 F163 E168 V169 V170I98-F166 HydrophobicContact CB-CZ 4.32Å; I98-F166 HydrophobicContact CG2-CE2 3.8Å; I98-F166 HydrophobicContact CG2-CZ 3.92Å; W100-F166 HydrophobicContact CB-CE1 4.28Å; W100-F166 HydrophobicContact CB-CZ 4.26Å; W100-F166 AromaticContact CD1-CD2 3.94Å; W100-F166 AromaticContact CD1-CG 3.72Å; W100-F166 HydrophobicContact CD2-CD1 4.08Å; W100-F166 HydrophobicContact CD2-CE1 4.46Å; W100-F166 HydrophobicContact CD2-CG 4.46Å; W100-F166 HydrophobicContact CG-CD1 4.02Å; W100-F166 HydrophobicContact CG-CD2 4.45Å; W100-F166 HydrophobicContact CG-CE1 4.18Å; W100-F166 HydrophobicContact CG-CG 4.15Å; W100-F166 HydrophobicContact CG-CZ 4.47Å; W100-F166 AromaticContact NE1-CG 3.82Å; I103-F166 HydrophobicContact CB-CD2 3.93Å; I103-F166 HydrophobicContact CB-CE2 3.97Å; I103-F166 HydrophobicContact CG1-CD2 4.22Å; I103-F166 HydrophobicContact CG1-CE2 3.75Å; I103-F166 HydrophobicContact CG2-CD2 4.12Å; I103-F166 HydrophobicContact CG2-CE2 4.47Å; F104-F166 HydrophobicContact CD2-CB 3.88Å; F104-F166 HydrophobicContact CD2-CD2 4.15Å; F104-F166 HydrophobicContact CD2-CG 4.48Å; F104-F166 HydrophobicContact CE2-CB 4.11Å; L138-F166 HydrophobicContact CB-CE1 4.13Å; L138-F166 HydrophobicContact CD2-CE1 4.32Å; L138-F166 VanDerWaalsContact O-CE1 3.3Å; L138-F166 WeakPolarHBondContact O-CE1 3.38Å; F162-F166 PolarHBondContact O-N 2.8Å; F162-F166 VanDerWaalsContact O-N 3.08Å; F163-F166 HydrophobicContact CD2-CD1 4.23Å; F163-F166 HydrophobicContact CE2-CD1 4.36Å; F163-F166 WeakPolarHBondContact O-CB 3.3Å; F163-F166 PolarHBondContact O-N 2.8Å; F163-F166 VanDerWaalsContact O-N 3.17Å; F166-E168 PolarHBondContact O-N 3.33Å; F166-V169 PolarHBondContact O-N 3.21Å; F166-V170 HydrophobicContact CD2-CG1 4.1Å; F166-V170 HydrophobicContact CE2-CG1 3.72Å; F166-V170 PolarHBondContact O-N 2.93Å
167A98.9Very high98.9Very high0 Ų042.7 Ų42.70%019%0.194CC..Hα-helixtrans-59.3-47.1178.200000111.8L138 F163 V164 V169 V170 F171 A231L138-A167 HydrophobicContact CD1-CB 3.84Å; F163-A167 HydrophobicContact CE1-CB 4.49Å; F163-A167 WeakPolarHBondContact O-CB 3.34Å; F163-A167 PolarHBondContact O-N 3.28Å; V164-A167 PolarHBondContact O-N 2.83Å; A167-V169 PolarHBondContact O-N 3.21Å; A167-V170 VanDerWaalsContact O-CG2 3.31Å; A167-V170 WeakPolarHBondContact O-CG2 3.36Å; A167-V170 PolarHBondContact O-N 3.42Å; A167-F171 HydrophobicContact CB-CD2 4.18Å; A167-F171 HydrophobicContact CB-CE2 3.77Å; A167-F171 HydrophobicContact CB-CZ 4.42Å; A167-F171 VanDerWaalsContact O-CB 3.32Å; A167-F171 WeakPolarHBondContact O-CB 3.4Å; A167-F171 WeakPolarHBondContact O-CD2 3.18Å; A167-F171 WeakPolarHBondContact O-CG 3.49Å; A167-F171 PolarHBondContact O-N 3.41Å; A167-A231 HydrophobicContact CB-CB 3.96Å
168E98.9Very high98.9Very high68 Ų6841 Ų4132%0.31819%0.188SC..Hα-helixtrans-60.1-41.9178.2-80.9-173.2148.100113V164 R165 F166 E172 A234 R237 I238V164-E168 HydrophobicContact CG1-CG 4.44Å; V164-E168 WeakPolarHBondContact O-CB 3.2Å; V164-E168 WeakPolarHBondContact O-CG 3.2Å; V164-E168 PolarHBondContact O-N 2.85Å; R165-E168 PolarHBondContact O-N 2.93Å; F166-E168 PolarHBondContact O-N 3.33Å; E168-E172 VanDerWaalsContact O-CB 3.31Å; E168-E172 WeakPolarHBondContact O-CB 3.34Å; E168-E172 PolarHBondContact O-N 2.88Å; E168-A234 HydrophobicContact CG-CB 3.57Å; E168-R237 IonicContact OE1-CZ 3.34Å; E168-R237 IonicContact OE1-NH2 2.94Å; E168-R237 PolarHBondContact OE1-NH2 3.26Å; E168-I238 HydrophobicContact CG-CD1 4.49Å
169V98.9Very high98.9Very high32 Ų3240 Ų4019%0.19418%0.184CC..Hα-helixtrans-60.6-49176.9165.80000110.9I103 F104 P112 L117 R165 F166 A167 E172 R173I103-V169 HydrophobicContact CG2-CG1 4.02Å; F104-V169 HydrophobicContact CE2-CB 4.27Å; F104-V169 HydrophobicContact CE2-CG2 4.05Å; F104-V169 HydrophobicContact CZ-CG2 3.91Å; P112-V169 HydrophobicContact CB-CG1 3.84Å; P112-V169 HydrophobicContact CB-CG2 4.49Å; P112-V169 HydrophobicContact CG-CG1 3.91Å; P112-V169 HydrophobicContact CG-CG2 4.32Å; L117-V169 HydrophobicContact CD1-CG1 4.06Å; L117-V169 HydrophobicContact CD2-CG1 3.82Å; R165-V169 WeakPolarHBondContact O-CG2 3.45Å; R165-V169 PolarHBondContact O-N 2.99Å; F166-V169 PolarHBondContact O-N 3.21Å; A167-V169 PolarHBondContact O-N 3.21Å; V169-E172 PolarHBondContact O-N 3.24Å; V169-R173 VanDerWaalsContact O-CB 3.29Å; V169-R173 WeakPolarHBondContact O-CB 3.44Å; V169-R173 PolarHBondContact O-N 2.97Å
170V98.9Very high98.9Very high0 Ų041.9 Ų41.90%019%0.191CC..Hα-helixtrans-75-33.4-176.5-58.60000112I98 I103 L117 L138 F166 A167 Y174 W181I98-V170 HydrophobicContact CD1-CB 3.93Å; I98-V170 HydrophobicContact CD1-CG1 4.04Å; I98-V170 HydrophobicContact CD1-CG2 4.37Å; I98-V170 HydrophobicContact CG2-CG1 4.21Å; I103-V170 HydrophobicContact CG1-CG1 4.1Å; I103-V170 HydrophobicContact CG2-CG1 4.37Å; L117-V170 HydrophobicContact CD2-CG1 4.4Å; L138-V170 HydrophobicContact CD2-CG2 3.48Å; L138-V170 VanDerWaalsContact CD2-CG2 3.48Å; F166-V170 HydrophobicContact CD2-CG1 4.1Å; F166-V170 HydrophobicContact CE2-CG1 3.72Å; F166-V170 PolarHBondContact O-N 2.93Å; A167-V170 VanDerWaalsContact O-CG2 3.31Å; A167-V170 WeakPolarHBondContact O-CG2 3.36Å; A167-V170 PolarHBondContact O-N 3.42Å; V170-Y174 HydrophobicContact CB-CD2 3.87Å; V170-Y174 HydrophobicContact CB-CE2 3.78Å; V170-Y174 HydrophobicContact CG1-CE2 4Å; V170-Y174 WeakPolarHBondContact O-CB 3.41Å; V170-Y174 WeakPolarHBondContact O-CD2 3.47Å; V170-Y174 PolarHBondContact O-N 3.34Å; V170-W181 HydrophobicContact CB-CH2 4.43Å; V170-W181 HydrophobicContact CB-CZ3 4.48Å; V170-W181 HydrophobicContact CG2-CH2 4.3Å; V170-W181 HydrophobicContact CG2-CZ3 3.98Å
171F98.9Very high98.9Very high0 Ų041.9 Ų41.90%019%0.191CC..Hα-helixtrans-60.3-50170.3-70.7-38000110.9L138 A167 R173 Y174 K175 W181 A231 A234 A235 I238 M242 V244L138-F171 HydrophobicContact CD1-CE1 4.3Å; L138-F171 HydrophobicContact CD1-CE2 4.39Å; L138-F171 HydrophobicContact CD1-CZ 3.74Å; A167-F171 HydrophobicContact CB-CD2 4.18Å; A167-F171 HydrophobicContact CB-CE2 3.77Å; A167-F171 HydrophobicContact CB-CZ 4.42Å; A167-F171 VanDerWaalsContact O-CB 3.32Å; A167-F171 WeakPolarHBondContact O-CB 3.4Å; A167-F171 WeakPolarHBondContact O-CD2 3.18Å; A167-F171 WeakPolarHBondContact O-CG 3.49Å; A167-F171 PolarHBondContact O-N 3.41Å; F171-R173 PolarHBondContact O-N 3.43Å; F171-Y174 PolarHBondContact O-N 2.81Å; F171-K175 WeakPolarHBondContact O-CA 3.28Å; F171-K175 VanDerWaalsContact O-CB 3.22Å; F171-K175 WeakPolarHBondContact O-CB 3.45Å; F171-K175 PolarHBondContact O-N 3.18Å; F171-W181 AromaticContact CD1-CD2 3.78Å; F171-W181 HydrophobicContact CD1-CD2 3.78Å; F171-W181 AromaticContact CD1-CE2 3.69Å; F171-W181 HydrophobicContact CD1-CE3 4.02Å; F171-W181 HydrophobicContact CD1-CG 4.28Å; F171-W181 HydrophobicContact CD1-CH2 4.06Å; F171-W181 AromaticContact CD1-CZ2 3.83Å; F171-W181 HydrophobicContact CD1-CZ2 3.83Å; F171-W181 HydrophobicContact CD1-CZ3 4.17Å; F171-W181 HydrophobicContact CE1-CB 4.1Å; F171-W181 AromaticContact CE1-CD2 3.5Å; F171-W181 HydrophobicContact CE1-CD2 3.5Å; F171-W181 VanDerWaalsContact CE1-CD2 3.5Å; F171-W181 AromaticContact CE1-CE2 3.9Å; F171-W181 AromaticContact CE1-CE3 3.72Å; F171-W181 HydrophobicContact CE1-CE3 3.72Å; F171-W181 AromaticContact CE1-CG 3.68Å; F171-W181 HydrophobicContact CE1-CG 3.68Å; F171-W181 HydrophobicContact CE1-CZ2 4.41Å; F171-W181 HydrophobicContact CE1-CZ3 4.28Å; F171-A231 HydrophobicContact CE2-CB 4.07Å; F171-A231 VanDerWaalsContact CE2-O 3.24Å; F171-A231 WeakPolarHBondContact CE2-O 3.21Å; F171-A231 HydrophobicContact CZ-CB 4.45Å; F171-A234 HydrophobicContact CD2-CB 4.39Å; F171-A235 HydrophobicContact CD1-CB 4.24Å; F171-A235 HydrophobicContact CD2-CB 4.02Å; F171-A235 HydrophobicContact CE1-CB 4.04Å; F171-A235 HydrophobicContact CE2-CB 3.82Å; F171-A235 HydrophobicContact CG-CB 4.24Å; F171-A235 HydrophobicContact CZ-CB 3.82Å; F171-I238 HydrophobicContact CB-CD1 3.62Å; F171-I238 HydrophobicContact CB-CG2 4.41Å; F171-M242 HydrophobicContact CB-CE 4.11Å; F171-M242 HydrophobicContact CD1-CE 4.17Å; F171-M242 HydrophobicContact CD1-SD 4.47Å; F171-M242 HydrophobicContact CG-CE 4.28Å; F171-V244 HydrophobicContact CE1-CG2 4.34Å; F171-V244 HydrophobicContact CZ-CG2 4.21Å
172E98.9Very high98.9Very high93 Ų9337.1 Ų37.144%0.43517%0.166SC..Hα-helixtrans-63.9-43-179.4-177.559-151.500111.7E168 V169 K175 I238E168-E172 VanDerWaalsContact O-CB 3.31Å; E168-E172 WeakPolarHBondContact O-CB 3.34Å; E168-E172 PolarHBondContact O-N 2.88Å; V169-E172 PolarHBondContact O-N 3.24Å; E172-K175 WeakPolarHBondContact O-CG 3.47Å; E172-K175 IonicContact OE1-NZ 2.66Å; E172-K175 PolarHBondContact OE1-NZ 2.89Å; E172-K175 IonicContact OE2-NZ 3.63Å; E172-I238 HydrophobicContact CB-CD1 4.44Å; E172-I238 WeakPolarHBondContact OE2-CG2 3.28Å
173R98.9Very high98.9Very high78 Ų7835.9 Ų35.929%0.29416%0.16SC..Hα-helixtrans-63.8-43.5-179.7-173.664.9169.8-116.3-1.5112.2E114 L117 D121 V169 F171E114-R173 VanDerWaalsContact CD-NH1 3.34Å; E114-R173 IonicContact OE1-CZ 3.62Å; E114-R173 IonicContact OE1-NH1 3Å; E114-R173 PolarHBondContact OE1-NH1 2.93Å; E114-R173 VanDerWaalsContact OE1-NH1 3.11Å; E114-R173 IonicContact OE1-NH2 3.21Å; E114-R173 PolarHBondContact OE1-NH2 3.08Å; E114-R173 IonicContact OE2-CZ 3.08Å; E114-R173 IonicContact OE2-NH1 3.33Å; E114-R173 PolarHBondContact OE2-NH1 3.1Å; E114-R173 IonicContact OE2-NH2 3.93Å; L117-R173 HydrophobicContact CD2-CB 4.41Å; L117-R173 HydrophobicContact CD2-CG 4.23Å; D121-R173 IonicContact OD2-CZ 2.78Å; D121-R173 IonicContact OD2-NE 2.81Å; D121-R173 PolarHBondContact OD2-NE 2.82Å; D121-R173 IonicContact OD2-NH2 2.66Å; D121-R173 PolarHBondContact OD2-NH2 3.39Å; V169-R173 VanDerWaalsContact O-CB 3.29Å; V169-R173 WeakPolarHBondContact O-CB 3.44Å; V169-R173 PolarHBondContact O-N 2.97Å; F171-R173 PolarHBondContact O-N 3.43Å
174Y98.9Very high98.9Very high0 Ų036 Ų360%016%0.161CC..Hα-helixtrans-109.514.2-170.5-46.5-60.7000114.3I98 L117 Y120 F124 V170 F171 H176 K177 V178 W181I98-Y174 HydrophobicContact CD1-CD2 3.88Å; I98-Y174 HydrophobicContact CD1-CE2 3.6Å; L117-Y174 VanDerWaalsContact CA-OH 3.25Å; L117-Y174 WeakPolarHBondContact CA-OH 3.07Å; L117-Y174 HydrophobicContact CD2-CE2 4.41Å; L117-Y174 WeakPolarHBondContact CD2-OH 3.46Å; L117-Y174 PolarHBondContact O-OH 3.04Å; Y120-Y174 WeakPolarHBondContact CB-OH 3.26Å; F124-Y174 AromaticContact CD2-CD1 3.64Å; F124-Y174 HydrophobicContact CD2-CD1 3.64Å; F124-Y174 HydrophobicContact CD2-CD2 4.46Å; F124-Y174 HydrophobicContact CD2-CE1 4.03Å; F124-Y174 AromaticContact CD2-CG 3.9Å; F124-Y174 HydrophobicContact CD2-CG 3.9Å; F124-Y174 AromaticContact CE2-CD1 3.75Å; F124-Y174 HydrophobicContact CE2-CD1 3.75Å; F124-Y174 AromaticContact CE2-CD2 3.76Å; F124-Y174 HydrophobicContact CE2-CD2 3.76Å; F124-Y174 AromaticContact CE2-CE1 3.99Å; F124-Y174 HydrophobicContact CE2-CE1 3.99Å; F124-Y174 HydrophobicContact CE2-CE2 4.02Å; F124-Y174 AromaticContact CE2-CG 3.65Å; F124-Y174 HydrophobicContact CE2-CG 3.65Å; V170-Y174 HydrophobicContact CB-CD2 3.87Å; V170-Y174 HydrophobicContact CB-CE2 3.78Å; V170-Y174 HydrophobicContact CG1-CE2 4Å; V170-Y174 WeakPolarHBondContact O-CB 3.41Å; V170-Y174 WeakPolarHBondContact O-CD2 3.47Å; V170-Y174 PolarHBondContact O-N 3.34Å; F171-Y174 PolarHBondContact O-N 2.81Å; Y174-H176 PolarHBondContact O-N 2.88Å; Y174-K177 PolarHBondContact O-N 2.74Å; Y174-V178 PolarHBondContact O-N 3.09Å; Y174-W181 HydrophobicContact CD2-CH2 4.06Å
175K98.9Very high98.9Very high53 Ų5335.3 Ų35.323%0.2316%0.156CC..THydrogen-bonded Turntrans-53.9-21-176.961.8-172.7-179.2-172.50116.1F171 E172 I238 N239 M242F171-K175 WeakPolarHBondContact O-CA 3.28Å; F171-K175 VanDerWaalsContact O-CB 3.22Å; F171-K175 WeakPolarHBondContact O-CB 3.45Å; F171-K175 PolarHBondContact O-N 3.18Å; E172-K175 WeakPolarHBondContact O-CG 3.47Å; E172-K175 IonicContact OE1-NZ 2.66Å; E172-K175 PolarHBondContact OE1-NZ 2.89Å; E172-K175 IonicContact OE2-NZ 3.63Å; K175-I238 HydrophobicContact CB-CG2 3.97Å; K175-I238 HydrophobicContact CD-CG2 3.95Å; K175-N239 HydrophobicContact CB-CB 4.08Å; K175-N239 PolarHBondContact O-ND2 3Å; K175-M242 HydrophobicContact CB-SD 4.23Å
176H98.8Very high98.9Very high162 Ų16233 Ų3375%0.7515%0.149SC*.THydrogen-bonded Turntrans-111.73.3177.3-54.7142000113.5Y174Y174-H176 PolarHBondContact O-N 2.88Å
177K98.9Very high98.9Very high43 Ų4333.1 Ų33.119%0.18715%0.149CC..THydrogen-bonded Turntrans-114-29.1179.8-59.8-167.5-179.2-171.50112.9D121 F124 D125 L128 P134 Y174D121-K177 WeakPolarHBondContact OD1-CE 3.33Å; D121-K177 IonicContact OD1-NZ 3.14Å; D121-K177 PolarHBondContact OD1-NZ 3.04Å; F124-K177 HydrophobicContact CB-CB 4.47Å; F124-K177 HydrophobicContact CB-CD 4.32Å; D125-K177 WeakPolarHBondContact OD1-CE 3.18Å; D125-K177 IonicContact OD1-NZ 2.74Å; D125-K177 PolarHBondContact OD1-NZ 2.85Å; D125-K177 IonicContact OD2-NZ 2.81Å; D125-K177 PolarHBondContact OD2-NZ 3.3Å; L128-K177 HydrophobicContact CD1-CB 3.89Å; L128-K177 HydrophobicContact CD1-CG 4.15Å; P134-K177 WeakPolarHBondContact CD-O 3.3Å; Y174-K177 PolarHBondContact O-N 2.74Å
178V98.9Very high98.9Very high2 Ų233.7 Ų33.71%0.01215%0.152CC..  trans-123.5113.9-174.4-177.50000109.9F124 P134 I136 Y174 Y180 W181F124-V178 HydrophobicContact CD2-CG2 3.74Å; F124-V178 HydrophobicContact CE2-CG2 3.66Å; F124-V178 HydrophobicContact CG-CG2 4.3Å; F124-V178 HydrophobicContact CZ-CG2 4.16Å; P134-V178 HydrophobicContact CB-CG1 4.41Å; P134-V178 HydrophobicContact CB-CG2 3.99Å; P134-V178 HydrophobicContact CG-CG2 4.23Å; I136-V178 HydrophobicContact CB-CG1 4.07Å; I136-V178 HydrophobicContact CG1-CB 4.48Å; I136-V178 HydrophobicContact CG1-CG1 3.57Å; I136-V178 HydrophobicContact CG1-CG2 4.05Å; Y174-V178 PolarHBondContact O-N 3.09Å; V178-Y180 WeakPolarHBondContact CG1-O 3.2Å; V178-W181 HydrophobicContact CB-CH2 4.07Å; V178-W181 HydrophobicContact CB-CZ2 3.46Å; V178-W181 VanDerWaalsContact CB-CZ2 3.46Å; V178-W181 HydrophobicContact CG1-CD2 3.81Å; V178-W181 HydrophobicContact CG1-CE3 4.29Å; V178-W181 HydrophobicContact CG1-CG 4.38Å; V178-W181 HydrophobicContact CG1-CH2 4.08Å; V178-W181 HydrophobicContact CG1-CZ2 3.57Å; V178-W181 HydrophobicContact CG1-CZ3 4.4Å; V178-W181 HydrophobicContact CG2-CH2 4.33Å; V178-W181 HydrophobicContact CG2-CZ2 4.16Å; V178-W181 PolarHBondContact O-NE1 2.82Å; V178-W181 VanDerWaalsContact O-NE1 3.08Å
179K98.9Very high98.8Very high94 Ų9431.5 Ų31.541%0.40914%0.143SC..  trans-86.3-31.5177.8-64.4176.8-171.8-75.10112.9E133 K243E133-K179 WeakPolarHBondContact OE1-CE 3.46Å; E133-K179 WeakPolarHBondContact OE2-CD 3.39Å; K179-K243 PolarHBondContact O-N 2.99Å
180Y99Very high98.8Very high39 Ų3930 Ų3015%0.15313%0.134CC..EExtended strand (participates in β ladder)trans-119.2126.4-168.1-51.3-76000111.4L19 E133 V135 I136 V178 K243 M426L19-Y180 HydrophobicContact CD1-CD2 4.43Å; L19-Y180 HydrophobicContact CD1-CE1 4.09Å; L19-Y180 HydrophobicContact CD1-CE2 3.8Å; E133-Y180 HydrophobicContact CB-CD2 4.46Å; E133-Y180 HydrophobicContact CB-CE2 4.17Å; E133-Y180 HydrophobicContact CG-CE2 4.44Å; V135-Y180 WeakPolarHBondContact CA-O 3.36Å; V135-Y180 HydrophobicContact CG2-CD2 4.07Å; V135-Y180 HydrophobicContact CG2-CG 4.31Å; I136-Y180 PolarHBondContact N-O 3.33Å; V178-Y180 WeakPolarHBondContact CG1-O 3.2Å; Y180-K243 HydrophobicContact CD1-CB 4.4Å; Y180-K243 HydrophobicContact CD1-CD 4.34Å; Y180-K243 HydrophobicContact CE1-CD 4.14Å; Y180-M426 HydrophobicContact CD1-CE 3.69Å; Y180-M426 HydrophobicContact CE1-CE 3.7Å
181W99Very high98.7Very high0 Ų031.2 Ų31.20%014%0.138CC..EExtended strand (participates in β ladder)trans-132.4150.8-175.6-58.387.9000111.3I98 I136 L138 V170 F171 Y174 V178 M242 K243 V244 G245 Y317I98-W181 HydrophobicContact CD1-CZ3 4.21Å; I136-W181 HydrophobicContact CB-CD2 4.42Å; I136-W181 HydrophobicContact CB-CE3 3.71Å; I136-W181 HydrophobicContact CB-CZ3 3.89Å; I136-W181 HydrophobicContact CG1-CZ3 4.5Å; I136-W181 HydrophobicContact CG2-CE3 3.79Å; I136-W181 HydrophobicContact CG2-CZ3 3.66Å; I136-W181 CarbonylContact O-C 3.15Å; I136-W181 VanDerWaalsContact O-CA 3.22Å; I136-W181 WeakPolarHBondContact O-CA 3.3Å; L138-W181 HydrophobicContact CD2-CE3 3.94Å; L138-W181 HydrophobicContact CD2-CZ3 3.97Å; L138-W181 HydrophobicContact CG-CE3 4.47Å; V170-W181 HydrophobicContact CB-CH2 4.43Å; V170-W181 HydrophobicContact CB-CZ3 4.48Å; V170-W181 HydrophobicContact CG2-CH2 4.3Å; V170-W181 HydrophobicContact CG2-CZ3 3.98Å; F171-W181 AromaticContact CD1-CD2 3.78Å; F171-W181 HydrophobicContact CD1-CD2 3.78Å; F171-W181 AromaticContact CD1-CE2 3.69Å; F171-W181 HydrophobicContact CD1-CE3 4.02Å; F171-W181 HydrophobicContact CD1-CG 4.28Å; F171-W181 HydrophobicContact CD1-CH2 4.06Å; F171-W181 AromaticContact CD1-CZ2 3.83Å; F171-W181 HydrophobicContact CD1-CZ2 3.83Å; F171-W181 HydrophobicContact CD1-CZ3 4.17Å; F171-W181 HydrophobicContact CE1-CB 4.1Å; F171-W181 AromaticContact CE1-CD2 3.5Å; F171-W181 HydrophobicContact CE1-CD2 3.5Å; F171-W181 VanDerWaalsContact CE1-CD2 3.5Å; F171-W181 AromaticContact CE1-CE2 3.9Å; F171-W181 AromaticContact CE1-CE3 3.72Å; F171-W181 HydrophobicContact CE1-CE3 3.72Å; F171-W181 AromaticContact CE1-CG 3.68Å; F171-W181 HydrophobicContact CE1-CG 3.68Å; F171-W181 HydrophobicContact CE1-CZ2 4.41Å; F171-W181 HydrophobicContact CE1-CZ3 4.28Å; Y174-W181 HydrophobicContact CD2-CH2 4.06Å; V178-W181 HydrophobicContact CB-CH2 4.07Å; V178-W181 HydrophobicContact CB-CZ2 3.46Å; V178-W181 VanDerWaalsContact CB-CZ2 3.46Å; V178-W181 HydrophobicContact CG1-CD2 3.81Å; V178-W181 HydrophobicContact CG1-CE3 4.29Å; V178-W181 HydrophobicContact CG1-CG 4.38Å; V178-W181 HydrophobicContact CG1-CH2 4.08Å; V178-W181 HydrophobicContact CG1-CZ2 3.57Å; V178-W181 HydrophobicContact CG1-CZ3 4.4Å; V178-W181 HydrophobicContact CG2-CH2 4.33Å; V178-W181 HydrophobicContact CG2-CZ2 4.16Å; V178-W181 PolarHBondContact O-NE1 2.82Å; V178-W181 VanDerWaalsContact O-NE1 3.08Å; W181-M242 HydrophobicContact CZ2-SD 4.26Å; W181-M242 PolarHBondContact NE1-SD 3.12Å; W181-M242 VanDerWaalsContact NE1-SD 3.4Å; W181-K243 PolarHBondContact N-O 2.61Å; W181-V244 HydrophobicContact CB-CG1 4.42Å; W181-V244 HydrophobicContact CB-CG2 4.14Å; W181-V244 CarbonylContact O-C 3.26Å; W181-V244 WeakPolarHBondContact O-CA 3.27Å; W181-G245 PolarHBondContact O-N 2.88Å; W181-Y317 PolarHBondContact O-OH 3Å
182M99Very high98.6Very high0 Ų033.5 Ų33.50%015%0.15CC..EExtended strand (participates in β ladder)trans-131.1146.6166.6-75.3170.3-76.100110.1R95 V135 I136 T137 L138 G245 M247 Y317 V382R95-M182 HydrophobicContact CG-CE 4.03Å; V135-M182 HydrophobicContact CG1-CE 3.79Å; I136-M182 PolarHBondContact O-N 2.91Å; T137-M182 CarbonylContact C-O 3.42Å; T137-M182 WeakPolarHBondContact CA-O 3.36Å; T137-M182 HydrophobicContact CG2-CB 4.25Å; L138-M182 PolarHBondContact N-O 3.06Å; M182-G245 WeakPolarHBondContact CA-O 3.5Å; M182-M247 HydrophobicContact CB-CB 4.46Å; M182-M247 HydrophobicContact CG-CB 4.5Å; M182-M247 HydrophobicContact SD-CB 3.92Å; M182-M247 HydrophobicContact SD-CG 3.82Å; M182-Y317 HydrophobicContact CG-CE2 4.23Å; M182-V382 HydrophobicContact CE-CB 4.08Å; M182-V382 HydrophobicContact CE-CG1 3.77Å; M182-V382 HydrophobicContact CE-CG2 4.24Å; M182-V382 HydrophobicContact SD-CB 4.28Å; M182-V382 HydrophobicContact SD-CG1 3.87Å; M182-V382 HydrophobicContact SD-CG2 3.91Å
183T98.9Very high98.5Very high0 Ų030.8 Ų30.80%014%0.136CC..EExtended strand (participates in β ladder)trans-79.8-73.3-177.9530000112.3L138 S139 S228 A231 V244 G245L138-T183 HydrophobicContact CD1-CG2 4.49Å; S139-T183 PolarHBondContact N-O 3.04Å; T183-S228 WeakPolarHBondContact CB-OG 3.4Å; T183-S228 WeakPolarHBondContact CG2-OG 3.39Å; T183-S228 PolarHBondContact OG1-OG 3.23Å; T183-A231 HydrophobicContact CG2-CB 4.35Å; T183-V244 HydrophobicContact CG2-CG1 3.8Å; T183-G245 PolarHBondContact N-O 3.37Å
184F99Very high98.4Very high4 Ų433.9 Ų33.92%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-118.3118.8-174.8-63.9-87.8000110.6W154 F163 E186 I187 Q224 A227 M247W154-F184 AromaticContact CH2-CE1 3.85Å; W154-F184 HydrophobicContact CH2-CE1 3.85Å; W154-F184 AromaticContact CH2-CZ 3.64Å; W154-F184 HydrophobicContact CH2-CZ 3.64Å; W154-F184 AromaticContact CZ2-CE1 3.54Å; W154-F184 HydrophobicContact CZ2-CE1 3.54Å; W154-F184 AromaticContact CZ2-CZ 3.84Å; W154-F184 HydrophobicContact CZ2-CZ 3.84Å; W154-F184 HydrophobicContact CZ3-CZ 4.43Å; F163-F184 HydrophobicContact CD1-CE2 4.49Å; F163-F184 AromaticContact CD1-CZ 3.95Å; F163-F184 HydrophobicContact CD1-CZ 3.95Å; F163-F184 HydrophobicContact CD2-CE1 4.26Å; F163-F184 HydrophobicContact CD2-CZ 4.09Å; F163-F184 AromaticContact CE1-CE2 3.88Å; F163-F184 HydrophobicContact CE1-CE2 3.88Å; F163-F184 AromaticContact CE1-CZ 3.7Å; F163-F184 HydrophobicContact CE1-CZ 3.7Å; F163-F184 HydrophobicContact CE2-CE1 4.04Å; F163-F184 AromaticContact CE2-CZ 3.87Å; F163-F184 HydrophobicContact CE2-CZ 3.87Å; F163-F184 HydrophobicContact CG-CZ 4.12Å; F163-F184 HydrophobicContact CZ-CE1 4.23Å; F163-F184 AromaticContact CZ-CE2 3.89Å; F163-F184 HydrophobicContact CZ-CE2 3.89Å; F163-F184 AromaticContact CZ-CZ 3.65Å; F163-F184 HydrophobicContact CZ-CZ 3.65Å; F184-E186 PolarHBondContact O-N 3.25Å; F184-I187 HydrophobicContact CB-CB 4.03Å; F184-I187 HydrophobicContact CB-CD1 4.02Å; F184-I187 HydrophobicContact CB-CG1 4.15Å; F184-I187 HydrophobicContact CD2-CD1 4.29Å; F184-I187 HydrophobicContact CG-CD1 4.25Å; F184-Q224 HydrophobicContact CD1-CG 4.27Å; F184-Q224 HydrophobicContact CD2-CB 4.49Å; F184-Q224 HydrophobicContact CE1-CB 4.31Å; F184-Q224 HydrophobicContact CE1-CG 3.91Å; F184-Q224 HydrophobicContact CE2-CB 4.26Å; F184-Q224 VanDerWaalsContact CE2-O 3.27Å; F184-Q224 WeakPolarHBondContact CE2-O 3.35Å; F184-Q224 HydrophobicContact CZ-CB 4.17Å; F184-Q224 HydrophobicContact CZ-CG 4.15Å; F184-A227 HydrophobicContact CE2-CB 4.33Å; F184-A227 HydrophobicContact CZ-CB 4.06Å; F184-M247 WeakPolarHBondContact O-CB 3.49Å
185N98.8Very high98.1Very high4 Ų434.9 Ų34.92%0.02116%0.156CC..THydrogen-bonded Turntrans-59.2133.5173.2-170.764.7000110.9R95 T137 S139 H140 F141 I187 M247 E383R95-N185 PolarHBondContact NH2-OD1 3.05Å; T137-N185 HydrophobicContact CG2-CB 3.96Å; S139-N185 WeakPolarHBondContact O-CB 3.28Å; S139-N185 PolarHBondContact O-N 2.65Å; H140-N185 HydrophobicContact CB-CB 4.12Å; H140-N185 PolarHBondContact CD2-ND2 3.49Å; H140-N185 PolarHBondContact CE1-OD1 2.99Å; H140-N185 VanDerWaalsContact CE1-OD1 3.31Å; H140-N185 VanDerWaalsContact NE2-CG 3.33Å; H140-N185 PolarHBondContact NE2-ND2 2.83Å; F141-N185 HydrophobicContact CE1-CB 4.4Å; F141-N185 VanDerWaalsContact CE2-ND2 3.29Å; F141-N185 WeakPolarHBondContact CE2-ND2 3.34Å; F141-N185 WeakPolarHBondContact CZ-ND2 3.43Å; N185-I187 PolarHBondContact O-N 2.84Å; N185-M247 WeakPolarHBondContact OD1-CE 3.45Å; N185-E383 PolarHBondContact OD1-OE1 3.05Å
186E98.7Very high97.8Very high22 Ų2236.9 Ų36.910%0.10318%0.175CC..THydrogen-bonded Turntrans37.750.2172.9-63.3-171139.900112.9F141 F184 N188 N189 M247 A249 S321F141-E186 HydrophobicContact CZ-CB 4.08Å; F184-E186 PolarHBondContact O-N 3.25Å; E186-N188 PolarHBondContact O-N 2.92Å; E186-N189 WeakPolarHBondContact CB-ND2 3.47Å; E186-N189 WeakPolarHBondContact O-CB 3.28Å; E186-N189 PolarHBondContact O-N 3.32Å; E186-N189 PolarHBondContact OE2-ND2 3.16Å; E186-M247 HydrophobicContact CB-SD 4.18Å; E186-M247 HydrophobicContact CG-CE 3.51Å; E186-M247 HydrophobicContact CG-SD 3.47Å; E186-M247 WeakPolarHBondContact CG-SD 3.45Å; E186-M247 PolarHBondContact N-SD 3.37Å; E186-A249 HydrophobicContact CB-CB 3.88Å; E186-A249 HydrophobicContact CG-CB 3.77Å; E186-S321 WeakPolarHBondContact OE1-CB 3.3Å; E186-S321 PolarHBondContact OE1-OG 3.42Å
187I98.8Very high97.8Very high1 Ų130.2 Ų30.21%0.00514%0.144CC..THydrogen-bonded Turntrans-54.4-23.3-169.7-170.3169.8000112.8F184 N185 Q190 Q224 F225 M247 F276F184-I187 HydrophobicContact CB-CB 4.03Å; F184-I187 HydrophobicContact CB-CD1 4.02Å; F184-I187 HydrophobicContact CB-CG1 4.15Å; F184-I187 HydrophobicContact CD2-CD1 4.29Å; F184-I187 HydrophobicContact CG-CD1 4.25Å; N185-I187 PolarHBondContact O-N 2.84Å; I187-Q190 WeakPolarHBondContact O-CG 3.48Å; I187-Q190 PolarHBondContact O-NE2 2.67Å; I187-Q224 HydrophobicContact CD1-CB 4.06Å; I187-F225 HydrophobicContact CD1-CD1 4.17Å; I187-F225 HydrophobicContact CD1-CE1 3.99Å; I187-M247 PolarHBondContact N-O 2.9Å; I187-F276 HydrophobicContact CB-CD1 4.33Å; I187-F276 HydrophobicContact CG1-CD1 4.08Å; I187-F276 HydrophobicContact CG1-CE1 4.34Å; I187-F276 HydrophobicContact CG2-CB 4.01Å; I187-F276 HydrophobicContact CG2-CD1 3.62Å; I187-F276 HydrophobicContact CG2-CE1 4.46Å; I187-F276 HydrophobicContact CG2-CG 4.14Å; I187-F276 WeakPolarHBondContact O-CE1 3.33Å
188N98.6Very high97.7Very high12 Ų1230.7 Ų30.76%0.06415%0.146CC..THydrogen-bonded Turntrans-86.5-9.3-179.365.1-63.4000115.1E186 Q190 R191 L248 A249 F276E186-N188 PolarHBondContact O-N 2.92Å; N188-Q190 PolarHBondContact O-N 2.74Å; N188-R191 WeakPolarHBondContact O-CB 3.41Å; N188-R191 PolarHBondContact O-N 2.84Å; N188-L248 HydrophobicContact CB-CD1 4.08Å; N188-L248 VanDerWaalsContact CG-CD1 3.49Å; N188-L248 WeakPolarHBondContact OD1-CD1 3.49Å; N188-A249 PolarHBondContact ND2-O 2.87Å; N188-A249 PolarHBondContact OD1-N 2.53Å; N188-F276 HydrophobicContact CB-CB 4.45Å; N188-F276 HydrophobicContact CB-CD1 4.04Å; N188-F276 HydrophobicContact CB-CD2 3.42Å; N188-F276 VanDerWaalsContact CB-CD2 3.42Å; N188-F276 HydrophobicContact CB-CE1 4.07Å; N188-F276 HydrophobicContact CB-CE2 3.55Å; N188-F276 HydrophobicContact CB-CG 3.71Å; N188-F276 HydrophobicContact CB-CZ 3.88Å
189N97.9Very high97.6Very high23 Ų2330.7 Ų30.712%0.12315%0.147CC..G310 helixtrans-55.2-41.2176.6-82.2-2.4000111.3E186 R191 N192 F198 A249E186-N189 WeakPolarHBondContact CB-ND2 3.47Å; E186-N189 WeakPolarHBondContact O-CB 3.28Å; E186-N189 PolarHBondContact O-N 3.32Å; E186-N189 PolarHBondContact OE2-ND2 3.16Å; N189-R191 PolarHBondContact O-N 3.43Å; N189-R191 VanDerWaalsContact O-N 3.07Å; N189-N192 PolarHBondContact O-N 3.14Å; N189-N192 VanDerWaalsContact O-N 3.12Å; N189-F198 HydrophobicContact CB-CB 4.15Å; N189-F198 HydrophobicContact CB-CD1 3.8Å; N189-F198 HydrophobicContact CB-CE1 4.33Å; N189-F198 HydrophobicContact CB-CG 3.96Å; N189-F198 WeakPolarHBondContact O-CB 3.46Å; N189-F198 WeakPolarHBondContact O-CD2 3.45Å; N189-A249 WeakPolarHBondContact OD1-CB 3.38Å
190Q98.4Very high97.6Very high0 Ų026.8 Ų26.80%013%0.13CC..G310 helixtrans-65.4-8.9178.475.9-170.4-5800114.2I187 N188 N192 W193 C202 S203 Y207 L221I187-Q190 WeakPolarHBondContact O-CG 3.48Å; I187-Q190 PolarHBondContact O-NE2 2.67Å; N188-Q190 PolarHBondContact O-N 2.74Å; Q190-N192 CarbonylContact O-C 3.48Å; Q190-N192 PolarHBondContact O-N 2.93Å; Q190-W193 WeakPolarHBondContact O-CA 3.33Å; Q190-W193 PolarHBondContact O-N 3.32Å; Q190-C202 HydrophobicContact CB-CB 3.87Å; Q190-C202 HydrophobicContact CG-CB 4.32Å; Q190-S203 PolarHBondContact NE2-OG 2.84Å; Q190-S203 PolarHBondContact OE1-OG 2.89Å; Q190-Y207 HydrophobicContact CB-CE2 4.02Å; Q190-Y207 PolarHBondContact OE1-OH 2.66Å; Q190-L221 HydrophobicContact CG-CD2 3.8Å
191R97.8Very high97.6Very high25 Ų2525 Ų259%0.09412%0.124CC..G310 helixtrans-65.3-26.7172.1-172.248.6-173.165.31.3112N188 N189 W193 E272 F276 E292N188-R191 WeakPolarHBondContact O-CB 3.41Å; N188-R191 PolarHBondContact O-N 2.84Å; N189-R191 PolarHBondContact O-N 3.43Å; N189-R191 VanDerWaalsContact O-N 3.07Å; R191-W193 PolarHBondContact O-N 2.82Å; R191-W193 VanDerWaalsContact O-N 3.1Å; R191-E272 HydrophobicContact CG-CB 3.87Å; R191-E272 HydrophobicContact CG-CG 4.08Å; R191-E272 VanDerWaalsContact CZ-CD 3.43Å; R191-E272 IonicContact CZ-OE1 2.78Å; R191-E272 IonicContact CZ-OE2 2.85Å; R191-E272 IonicContact NH1-OE1 3.78Å; R191-E272 PolarHBondContact NH1-OE1 3.36Å; R191-E272 IonicContact NH1-OE2 3.88Å; R191-E272 PolarHBondContact NH1-OE2 2.83Å; R191-E272 IonicContact NH2-OE1 3.72Å; R191-E272 PolarHBondContact NH2-OE1 2.99Å; R191-F276 HydrophobicContact CB-CE2 3.96Å; R191-F276 HydrophobicContact CB-CZ 3.88Å; R191-F276 HydrophobicContact CG-CE2 4.21Å; R191-F276 HydrophobicContact CG-CZ 4.43Å; R191-E292 IonicContact NH2-OE1 3.43Å
192N96.3Very high97.6Very high49 Ų4925.4 Ų25.426%0.26213%0.126SC..SBendtrans-81.175.2159.7-176-8.9000108.9N189 Q190 R194 A195 F198 G340N189-N192 PolarHBondContact O-N 3.14Å; N189-N192 VanDerWaalsContact O-N 3.12Å; Q190-N192 CarbonylContact O-C 3.48Å; Q190-N192 PolarHBondContact O-N 2.93Å; N192-R194 PolarHBondContact O-N 2.55Å; N192-A195 HydrophobicContact CB-CB 4.5Å; N192-A195 WeakPolarHBondContact O-CB 3.43Å; N192-A195 PolarHBondContact O-N 3.38Å; N192-A195 VanDerWaalsContact O-N 3.15Å; N192-A195 PolarHBondContact OD1-N 2.92Å; N192-F198 HydrophobicContact CB-CD2 4.05Å; N192-F198 HydrophobicContact CB-CE2 4.41Å; N192-G340 PolarHBondContact ND2-O 3.05Å
193W96.9Very high97.6Very high36 Ų3625.4 Ų25.414%0.13613%0.126CC..THydrogen-bonded Turntrans-68.7-14.8-175.155.3-96.2000113.8Q190 R191 Y207 T208 P213 E214 M217Q190-W193 WeakPolarHBondContact O-CA 3.33Å; Q190-W193 PolarHBondContact O-N 3.32Å; R191-W193 PolarHBondContact O-N 2.82Å; R191-W193 VanDerWaalsContact O-N 3.1Å; W193-Y207 HydrophobicContact CB-CD2 3.56Å; W193-Y207 HydrophobicContact CB-CE2 4.3Å; W193-Y207 HydrophobicContact CB-CG 4.01Å; W193-T208 HydrophobicContact CE3-CG2 4.41Å; W193-T208 HydrophobicContact CZ3-CG2 4.42Å; W193-P213 HydrophobicContact CD2-CB 4.43Å; W193-P213 HydrophobicContact CE3-CB 3.67Å; W193-P213 HydrophobicContact CZ3-CB 3.78Å; W193-P213 HydrophobicContact CZ3-CG 4.2Å; W193-E214 HydrophobicContact CD2-CG 3.92Å; W193-E214 HydrophobicContact CG-CG 4.15Å; W193-E214 HydrophobicContact CH2-CG 4.48Å; W193-E214 HydrophobicContact CZ2-CG 3.68Å; W193-E214 VanDerWaalsContact NE1-CG 3.25Å; W193-M217 HydrophobicContact CB-SD 4.04Å; W193-M217 HydrophobicContact CG-SD 4.4Å
194R95.9Very high97.6Very high142 Ų14225.6 Ų25.654%0.53613%0.128SC..THydrogen-bonded Turntrans-80-20.7175.1-65.3178.8-177.9145-2.4112.3N192 E342N192-R194 PolarHBondContact O-N 2.55Å; R194-E342 IonicContact CZ-OE2 3.77Å; R194-E342 IonicContact NH1-OE2 2.69Å; R194-E342 PolarHBondContact NH1-OE2 3.46Å
195A93Very high97.6Very high21 Ų2125.6 Ų25.617%0.17413%0.129CC..SBendtrans-69.2139.1-178.500000111.2N192 L197 F198N192-A195 HydrophobicContact CB-CB 4.5Å; N192-A195 WeakPolarHBondContact O-CB 3.43Å; N192-A195 PolarHBondContact O-N 3.38Å; N192-A195 VanDerWaalsContact O-N 3.15Å; N192-A195 PolarHBondContact OD1-N 2.92Å; A195-L197 VanDerWaalsContact C-N 3.32Å; A195-L197 PolarHBondContact O-N 3.33Å; A195-F198 HydrophobicContact CB-CB 4.25Å; A195-F198 HydrophobicContact CB-CD2 3.24Å; A195-F198 HydrophobicContact CB-CE2 3.79Å; A195-F198 HydrophobicContact CB-CG 3.97Å
196P93.4Very high97.6Very high96 Ų9626.6 Ų26.662%0.62314%0.135SC*.THydrogen-bonded Turntrans-62.6-35.5-172.1-23.933000114.4
197L96.9Very high97.6Very high21 Ų2125.7 Ų25.711%0.1113%0.131CC..THydrogen-bonded Turntrans-109.7-17.9-168.9-59.9-176.7000114.2L46 R55 I57 A195 Y200 C201 F439L46-L197 HydrophobicContact CD1-CD2 3.84Å; R55-L197 HydrophobicContact CB-CD1 4.24Å; R55-L197 HydrophobicContact CG-CD1 4.46Å; I57-L197 HydrophobicContact CD1-CD2 4.48Å; A195-L197 VanDerWaalsContact C-N 3.32Å; A195-L197 PolarHBondContact O-N 3.33Å; L197-Y200 PolarHBondContact O-N 2.84Å; L197-C201 VanDerWaalsContact O-CB 3.23Å; L197-C201 WeakPolarHBondContact O-CB 3.45Å; L197-C201 PolarHBondContact O-N 2.89Å; L197-C201 PolarHBondContact O-SG 3.27Å; L197-C201 VanDerWaalsContact O-SG 3.36Å; L197-F439 HydrophobicContact CB-CZ 4.32Å
198F97Very high97.5Very high53 Ų5329.6 Ų29.623%0.23216%0.155CC..Hα-helixtrans-67.8-50.2-173.1-68.7-37.4000112.5N189 N192 A195 Y200 C202 F439N189-F198 HydrophobicContact CB-CB 4.15Å; N189-F198 HydrophobicContact CB-CD1 3.8Å; N189-F198 HydrophobicContact CB-CE1 4.33Å; N189-F198 HydrophobicContact CB-CG 3.96Å; N189-F198 WeakPolarHBondContact O-CB 3.46Å; N189-F198 WeakPolarHBondContact O-CD2 3.45Å; N192-F198 HydrophobicContact CB-CD2 4.05Å; N192-F198 HydrophobicContact CB-CE2 4.41Å; A195-F198 HydrophobicContact CB-CB 4.25Å; A195-F198 HydrophobicContact CB-CD2 3.24Å; A195-F198 HydrophobicContact CB-CE2 3.79Å; A195-F198 HydrophobicContact CB-CG 3.97Å; F198-Y200 VanDerWaalsContact C-N 3.3Å; F198-Y200 PolarHBondContact O-N 3.43Å; F198-C202 WeakPolarHBondContact O-CB 3.43Å; F198-C202 PolarHBondContact O-N 3.11Å; F198-C202 PolarHBondContact O-SG 2.95Å; F198-F439 HydrophobicContact CD1-CE1 4.01Å; F198-F439 HydrophobicContact CD1-CZ 4.03Å; F198-F439 AromaticContact CE1-CE1 3.79Å; F198-F439 HydrophobicContact CE1-CE1 3.79Å; F198-F439 HydrophobicContact CE1-CZ 4.26Å
199G98.5Very high97.5Very high3 Ų336.3 Ų36.33%0.03119%0.186CC..Hα-helixtrans-60.8-40.3173.700000112.4S203 G204 V205G199-S203 CarbonylContact O-C 3.5Å; G199-S203 WeakPolarHBondContact O-CA 3.45Å; G199-S203 WeakPolarHBondContact O-CB 3.48Å; G199-S203 PolarHBondContact O-N 3.4Å; G199-G204 PolarHBondContact O-N 3.05Å; G199-V205 CarbonylContact C-O 3.4Å; G199-V205 WeakPolarHBondContact CA-O 3.22Å; G199-V205 PolarHBondContact O-N 2.92Å
200Y98.7Very high97.6Very high11 Ų1138.7 Ų38.74%0.04320%0.196CC..Hα-helixtrans-64.8-50.4-180-177.2-105.5000111.9I42 V45 I57 L197 F198 G204 V205 V206I42-Y200 HydrophobicContact CB-CE1 3.82Å; I42-Y200 HydrophobicContact CB-CE2 4.4Å; I42-Y200 WeakPolarHBondContact CD1-O 3.47Å; I42-Y200 HydrophobicContact CG2-CE2 4.41Å; I42-Y200 PolarHBondContact O-OH 2.94Å; V45-Y200 WeakPolarHBondContact CG2-OH 3.01Å; I57-Y200 HydrophobicContact CD1-CD1 3.77Å; I57-Y200 HydrophobicContact CD1-CD2 3.68Å; I57-Y200 HydrophobicContact CD1-CE1 4.07Å; I57-Y200 HydrophobicContact CD1-CE2 3.99Å; I57-Y200 HydrophobicContact CD1-CG 3.55Å; I57-Y200 HydrophobicContact CG1-CD1 4.04Å; I57-Y200 HydrophobicContact CG1-CD2 4.48Å; I57-Y200 HydrophobicContact CG1-CE1 3.92Å; I57-Y200 HydrophobicContact CG1-CE2 4.37Å; I57-Y200 HydrophobicContact CG1-CG 4.31Å; I57-Y200 HydrophobicContact CG2-CE1 4.26Å; I57-Y200 HydrophobicContact CG2-CE2 3.8Å; L197-Y200 PolarHBondContact O-N 2.84Å; F198-Y200 VanDerWaalsContact C-N 3.3Å; F198-Y200 PolarHBondContact O-N 3.43Å; Y200-G204 WeakPolarHBondContact O-CA 3.24Å; Y200-G204 PolarHBondContact O-N 3.46Å; Y200-V205 PolarHBondContact N-O 3.28Å; Y200-V206 HydrophobicContact CD2-CG2 4.31Å
201C98.7Very high97.6Very high3 Ų348.6 Ų48.62%0.0224%0.242CC..Hα-helixtrans-69.5-43.9179.6-68.60000111.8F141 L197 S203 F439F141-C201 VanDerWaalsContact CA-O 3.25Å; F141-C201 WeakPolarHBondContact CA-O 3.39Å; F141-C201 HydrophobicContact CB-CB 3.9Å; F141-C201 HydrophobicContact CD1-CB 3.94Å; F141-C201 WeakPolarHBondContact CD1-O 3.49Å; F141-C201 HydrophobicContact CD2-CB 4.42Å; F141-C201 HydrophobicContact CG-CB 3.84Å; L197-C201 VanDerWaalsContact O-CB 3.23Å; L197-C201 WeakPolarHBondContact O-CB 3.45Å; L197-C201 PolarHBondContact O-N 2.89Å; L197-C201 PolarHBondContact O-SG 3.27Å; L197-C201 VanDerWaalsContact O-SG 3.36Å; C201-S203 VanDerWaalsContact C-N 3.35Å; C201-S203 PolarHBondContact O-N 3.16Å; C201-F439 HydrophobicContact CB-CE2 3.66Å; C201-F439 HydrophobicContact CB-CZ 3.97Å; C201-F439 VanDerWaalsContact SG-CE2 3.56Å
202C98.7Very high97.6Very high7 Ų749.9 Ų49.95%0.04725%0.251CS..Hα-helixtrans-65.7-38.6179.7-69.20000112.6Q190 F198 Q224Q190-C202 HydrophobicContact CB-CB 3.87Å; Q190-C202 HydrophobicContact CG-CB 4.32Å; F198-C202 WeakPolarHBondContact O-CB 3.43Å; F198-C202 PolarHBondContact O-N 3.11Å; F198-C202 PolarHBondContact O-SG 2.95Å; C202-Q224 PolarHBondContact O-NE2 2.84Å
203S98.9Very high97.7Very high0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-144.42.3-158.8-57.20000114.5S153 W154 Q190 G199 C201 V205 V220 Q224S153-S203 WeakPolarHBondContact CB-O 3.34Å; S153-S203 PolarHBondContact OG-O 3.1Å; W154-S203 VanDerWaalsContact CD1-O 3.31Å; Q190-S203 PolarHBondContact NE2-OG 2.84Å; Q190-S203 PolarHBondContact OE1-OG 2.89Å; G199-S203 CarbonylContact O-C 3.5Å; G199-S203 WeakPolarHBondContact O-CA 3.45Å; G199-S203 WeakPolarHBondContact O-CB 3.48Å; G199-S203 PolarHBondContact O-N 3.4Å; C201-S203 VanDerWaalsContact C-N 3.35Å; C201-S203 PolarHBondContact O-N 3.16Å; S203-V205 WeakPolarHBondContact O-CG2 3.21Å; S203-V205 PolarHBondContact O-N 3.49Å; S203-V220 WeakPolarHBondContact OG-CG1 3.31Å; S203-Q224 PolarHBondContact OG-NE2 2.98Å
204G98.7Very high97.8Very high5 Ų548.3 Ų48.35%0.05225%0.246CC..SBendtrans61.727.5-175.400000113.3V148 S153 G199 Y200V148-G204 WeakPolarHBondContact CG1-O 3.49Å; S153-G204 WeakPolarHBondContact CB-O 3.17Å; S153-G204 WeakPolarHBondContact OG-CA 3.27Å; G199-G204 PolarHBondContact O-N 3.05Å; Y200-G204 WeakPolarHBondContact O-CA 3.24Å; Y200-G204 PolarHBondContact O-N 3.46Å
205V98.8Very high97.9Very high4 Ų443.9 Ų43.92%0.02423%0.231CC..  trans-129.2126.3-176.9-179.80000110.7T155 G199 Y200 S203 Y207 T216 V220T155-V205 HydrophobicContact CG2-CG1 4.28Å; T155-V205 HydrophobicContact CG2-CG2 3.75Å; G199-V205 CarbonylContact C-O 3.4Å; G199-V205 WeakPolarHBondContact CA-O 3.22Å; G199-V205 PolarHBondContact O-N 2.92Å; Y200-V205 PolarHBondContact N-O 3.28Å; S203-V205 WeakPolarHBondContact O-CG2 3.21Å; S203-V205 PolarHBondContact O-N 3.49Å; V205-Y207 HydrophobicContact CB-CD1 4.49Å; V205-Y207 HydrophobicContact CB-CE1 4.06Å; V205-Y207 HydrophobicContact CG1-CD1 3.65Å; V205-Y207 HydrophobicContact CG1-CE1 3.62Å; V205-Y207 HydrophobicContact CG1-CG 4.43Å; V205-T216 HydrophobicContact CG1-CG2 4.17Å; V205-V220 HydrophobicContact CG2-CG2 4.06Å
206V98.6Very high98.2Very high25 Ų2544 Ų4415%0.15223%0.229CC..  trans-94102.6167.5-174.50000108I57 Y200 T208 E209 H210I57-V206 HydrophobicContact CD1-CG2 4.19Å; Y200-V206 HydrophobicContact CD2-CG2 4.31Å; V206-T208 VanDerWaalsContact C-N 3.29Å; V206-T208 PolarHBondContact O-N 2.93Å; V206-E209 HydrophobicContact CB-CB 4.43Å; V206-E209 HydrophobicContact CB-CG 3.94Å; V206-E209 HydrophobicContact CG1-CG 3.76Å; V206-E209 WeakPolarHBondContact O-CB 3.18Å; V206-E209 PolarHBondContact O-N 2.81Å; V206-H210 PolarHBondContact O-ND1 3.36Å
207Y98.6Very high98.5Very high3 Ų339.4 Ų39.41%0.01220%0.2CC..G310 helixtrans-64-33.8-170.4-63.5-61.8000113.7Q190 W193 V205 E209 H210 P213 T216 M217 V220Q190-Y207 HydrophobicContact CB-CE2 4.02Å; Q190-Y207 PolarHBondContact OE1-OH 2.66Å; W193-Y207 HydrophobicContact CB-CD2 3.56Å; W193-Y207 HydrophobicContact CB-CE2 4.3Å; W193-Y207 HydrophobicContact CB-CG 4.01Å; V205-Y207 HydrophobicContact CB-CD1 4.49Å; V205-Y207 HydrophobicContact CB-CE1 4.06Å; V205-Y207 HydrophobicContact CG1-CD1 3.65Å; V205-Y207 HydrophobicContact CG1-CE1 3.62Å; V205-Y207 HydrophobicContact CG1-CG 4.43Å; Y207-E209 PolarHBondContact O-N 2.68Å; Y207-E209 VanDerWaalsContact O-N 3.13Å; Y207-H210 PolarHBondContact O-N 2.87Å; Y207-P213 WeakPolarHBondContact O-CA 3.47Å; Y207-P213 VanDerWaalsContact O-CB 3.3Å; Y207-P213 WeakPolarHBondContact O-CB 3.17Å; Y207-P213 WeakPolarHBondContact O-CG 3.49Å; Y207-T216 HydrophobicContact CD1-CG2 4.02Å; Y207-T216 HydrophobicContact CE1-CG2 4.26Å; Y207-M217 HydrophobicContact CD1-CB 3.86Å; Y207-M217 HydrophobicContact CD2-CB 4.38Å; Y207-M217 HydrophobicContact CE1-CB 3.65Å; Y207-M217 HydrophobicContact CE1-CG 4.24Å; Y207-M217 HydrophobicContact CE2-CB 4.12Å; Y207-M217 HydrophobicContact CE2-CG 3.99Å; Y207-M217 HydrophobicContact CG-CB 4.23Å; Y207-V220 HydrophobicContact CE1-CB 4.47Å; Y207-V220 HydrophobicContact CE1-CG2 4.22Å; Y207-V220 WeakPolarHBondContact OH-CG1 3.22Å
208T98.3Very high98.6Very high83 Ų8338.8 Ų38.851%0.50920%0.196SC..G310 helixtrans-66.7-9.1176.953.30000113.6W193 V206W193-T208 HydrophobicContact CE3-CG2 4.41Å; W193-T208 HydrophobicContact CZ3-CG2 4.42Å; V206-T208 VanDerWaalsContact C-N 3.29Å; V206-T208 PolarHBondContact O-N 2.93Å
209E98.4Very high98.7Very high153 Ų15337.7 Ų37.772%0.71519%0.192SC*.G310 helixtrans-90.93.1172.7-62.2-179.6174.200113V206 Y207V206-E209 HydrophobicContact CB-CB 4.43Å; V206-E209 HydrophobicContact CB-CG 3.94Å; V206-E209 HydrophobicContact CG1-CG 3.76Å; V206-E209 WeakPolarHBondContact O-CB 3.18Å; V206-E209 PolarHBondContact O-N 2.81Å; Y207-E209 PolarHBondContact O-N 2.68Å; Y207-E209 VanDerWaalsContact O-N 3.13Å
210H98.6Very high98.7Very high72 Ų7237.6 Ų37.633%0.33319%0.19SC..SBendtrans-110151177.6-66.566000111.1V206 Y207 N212 P213 T216V206-H210 PolarHBondContact O-ND1 3.36Å; Y207-H210 PolarHBondContact O-N 2.87Å; H210-N212 VanDerWaalsContact C-N 3.29Å; H210-N212 PolarHBondContact O-N 2.71Å; H210-P213 WeakPolarHBondContact O-CD 3.45Å; H210-T216 HydrophobicContact CB-CG2 4.32Å
211E98.3Very high98.7Very high209 Ų20937.2 Ų37.298%0.97719%0.189SC*.SBendtrans-60.5-37.8-179-65.7-171.3165.100112.8
212N98.4Very high98.7Very high52 Ų5237 Ų3728%0.27819%0.188SC..SBendtrans-121.786.9174.6-165.3-9.9000110.2H210 E214 E215 T216H210-N212 VanDerWaalsContact C-N 3.29Å; H210-N212 PolarHBondContact O-N 2.71Å; N212-E214 PolarHBondContact O-N 3.29Å; N212-E215 HydrophobicContact CB-CB 3.99Å; N212-E215 WeakPolarHBondContact ND2-CB 3.14Å; N212-E215 PolarHBondContact ND2-OE2 3.47Å; N212-E215 PolarHBondContact O-N 3.17Å; N212-T216 WeakPolarHBondContact O-CB 3.49Å; N212-T216 PolarHBondContact O-N 2.85Å; N212-T216 PolarHBondContact O-OG1 3.35Å
213P98.7Very high98.7Very high27 Ų2737.1 Ų37.118%0.17519%0.188CC..Hα-helixtrans-57.4-46.2-172.9-28.636.2000113.7W193 Y207 H210 T216 M217W193-P213 HydrophobicContact CD2-CB 4.43Å; W193-P213 HydrophobicContact CE3-CB 3.67Å; W193-P213 HydrophobicContact CZ3-CB 3.78Å; W193-P213 HydrophobicContact CZ3-CG 4.2Å; Y207-P213 WeakPolarHBondContact O-CA 3.47Å; Y207-P213 VanDerWaalsContact O-CB 3.3Å; Y207-P213 WeakPolarHBondContact O-CB 3.17Å; Y207-P213 WeakPolarHBondContact O-CG 3.49Å; H210-P213 WeakPolarHBondContact O-CD 3.45Å; P213-T216 PolarHBondContact O-N 3.07Å; P213-M217 WeakPolarHBondContact O-CB 3.49Å; P213-M217 PolarHBondContact O-N 2.99Å
214E98.5Very high98.7Very high24 Ų2437.2 Ų37.211%0.11219%0.188CC..Hα-helixtrans-73.6-38.4-175.5-75.7172.690.700112.6W193 N212 T216 M217 Y218 R296 F298W193-E214 HydrophobicContact CD2-CG 3.92Å; W193-E214 HydrophobicContact CG-CG 4.15Å; W193-E214 HydrophobicContact CH2-CG 4.48Å; W193-E214 HydrophobicContact CZ2-CG 3.68Å; W193-E214 VanDerWaalsContact NE1-CG 3.25Å; N212-E214 PolarHBondContact O-N 3.29Å; E214-T216 VanDerWaalsContact C-N 3.35Å; E214-M217 WeakPolarHBondContact O-CB 3.34Å; E214-M217 PolarHBondContact O-N 2.93Å; E214-Y218 VanDerWaalsContact O-CD2 3.26Å; E214-Y218 WeakPolarHBondContact O-CD2 3.38Å; E214-Y218 PolarHBondContact O-N 3.34Å; E214-R296 VanDerWaalsContact CD-NH1 3.28Å; E214-R296 IonicContact OE1-CZ 3.38Å; E214-R296 IonicContact OE1-NH1 3.72Å; E214-R296 PolarHBondContact OE1-NH1 3.07Å; E214-R296 IonicContact OE1-NH2 2.69Å; E214-R296 IonicContact OE2-CZ 3.18Å; E214-R296 IonicContact OE2-NH1 2.8Å; E214-R296 PolarHBondContact OE2-NH1 3.17Å; E214-R296 IonicContact OE2-NH2 4Å; E214-R296 PolarHBondContact OE2-NH2 2.88Å; E214-F298 HydrophobicContact CB-CE1 4.44Å; E214-F298 HydrophobicContact CB-CE2 3.83Å; E214-F298 HydrophobicContact CB-CZ 3.47Å; E214-F298 VanDerWaalsContact CB-CZ 3.47Å
215E98.8Very high98.7Very high50 Ų5037.2 Ų37.223%0.23419%0.187CC..Hα-helixtrans-64.5-42.3172.9-177.7173-125.800111.1N212 M217 Y218 Q219 F298 N299 I300N212-E215 HydrophobicContact CB-CB 3.99Å; N212-E215 WeakPolarHBondContact ND2-CB 3.14Å; N212-E215 PolarHBondContact ND2-OE2 3.47Å; N212-E215 PolarHBondContact O-N 3.17Å; E215-M217 VanDerWaalsContact C-N 3.29Å; E215-M217 PolarHBondContact O-N 2.83Å; E215-Y218 PolarHBondContact O-N 3.26Å; E215-Q219 WeakPolarHBondContact O-CB 3.19Å; E215-Q219 PolarHBondContact O-N 3.45Å; E215-F298 HydrophobicContact CB-CB 4.46Å; E215-F298 HydrophobicContact CB-CD1 3.71Å; E215-F298 HydrophobicContact CB-CE1 4.03Å; E215-F298 HydrophobicContact CB-CG 4.03Å; E215-F298 HydrophobicContact CG-CB 4.23Å; E215-F298 HydrophobicContact CG-CD1 4.26Å; E215-F298 HydrophobicContact CG-CG 4.34Å; E215-F298 WeakPolarHBondContact OE1-CA 3.15Å; E215-N299 PolarHBondContact OE1-N 3.3Å; E215-I300 HydrophobicContact CG-CD1 4.5Å
216T98.9Very high98.7Very high22 Ų2237.1 Ų37.114%0.13519%0.186CC..Hα-helixtrans-58.7-43.8174.2-57.30000110.7T155 V205 Y207 H210 N212 P213 E214 Q219 V220T155-T216 HydrophobicContact CG2-CG2 3.94Å; V205-T216 HydrophobicContact CG1-CG2 4.17Å; Y207-T216 HydrophobicContact CD1-CG2 4.02Å; Y207-T216 HydrophobicContact CE1-CG2 4.26Å; H210-T216 HydrophobicContact CB-CG2 4.32Å; N212-T216 WeakPolarHBondContact O-CB 3.49Å; N212-T216 PolarHBondContact O-N 2.85Å; N212-T216 PolarHBondContact O-OG1 3.35Å; P213-T216 PolarHBondContact O-N 3.07Å; E214-T216 VanDerWaalsContact C-N 3.35Å; T216-Q219 PolarHBondContact O-N 2.96Å; T216-V220 WeakPolarHBondContact O-CG2 3.3Å; T216-V220 PolarHBondContact O-N 2.94Å
217M98.8Very high98.8Very high0 Ų035.9 Ų35.90%018%0.179CC..Hα-helixtrans-58.1-52.1173.8-179.6-15570.400111.1W193 Y207 P213 E214 E215 Q219 V220 L221W193-M217 HydrophobicContact CB-SD 4.04Å; W193-M217 HydrophobicContact CG-SD 4.4Å; Y207-M217 HydrophobicContact CD1-CB 3.86Å; Y207-M217 HydrophobicContact CD2-CB 4.38Å; Y207-M217 HydrophobicContact CE1-CB 3.65Å; Y207-M217 HydrophobicContact CE1-CG 4.24Å; Y207-M217 HydrophobicContact CE2-CB 4.12Å; Y207-M217 HydrophobicContact CE2-CG 3.99Å; Y207-M217 HydrophobicContact CG-CB 4.23Å; P213-M217 WeakPolarHBondContact O-CB 3.49Å; P213-M217 PolarHBondContact O-N 2.99Å; E214-M217 WeakPolarHBondContact O-CB 3.34Å; E214-M217 PolarHBondContact O-N 2.93Å; E215-M217 VanDerWaalsContact C-N 3.29Å; E215-M217 PolarHBondContact O-N 2.83Å; M217-Q219 VanDerWaalsContact C-N 3.29Å; M217-Q219 PolarHBondContact O-N 3.45Å; M217-V220 WeakPolarHBondContact O-CB 3.08Å; M217-V220 PolarHBondContact O-N 2.87Å; M217-V220 VanDerWaalsContact O-N 3.17Å; M217-L221 HydrophobicContact CE-CD1 4.25Å; M217-L221 HydrophobicContact CG-CD1 4.24Å; M217-L221 HydrophobicContact CG-CG 4.36Å; M217-L221 VanDerWaalsContact O-CG 3.26Å; M217-L221 WeakPolarHBondContact O-CG 3.5Å; M217-L221 PolarHBondContact O-N 3.35Å
218Y98.9Very high98.8Very high9 Ų935.9 Ų35.94%0.03518%0.179CC..Hα-helixtrans-63-33.3179.2-77.9-61.4000113.5E214 E215 L221 H222 V289 E292 W293 F298E214-Y218 VanDerWaalsContact O-CD2 3.26Å; E214-Y218 WeakPolarHBondContact O-CD2 3.38Å; E214-Y218 PolarHBondContact O-N 3.34Å; E215-Y218 PolarHBondContact O-N 3.26Å; Y218-L221 HydrophobicContact CD1-CD1 4.15Å; Y218-L221 HydrophobicContact CE1-CD1 4.46Å; Y218-L221 PolarHBondContact O-N 3.3Å; Y218-H222 WeakPolarHBondContact O-CB 3.49Å; Y218-H222 PolarHBondContact O-N 3.04Å; Y218-V289 HydrophobicContact CE1-CG2 3.69Å; Y218-E292 WeakPolarHBondContact CE2-OE1 3.3Å; Y218-E292 VanDerWaalsContact OH-CD 3.26Å; Y218-E292 PolarHBondContact OH-OE1 3.35Å; Y218-E292 PolarHBondContact OH-OE2 2.93Å; Y218-W293 AromaticContact CD1-CE2 3.83Å; Y218-W293 AromaticContact CD1-CZ2 3.8Å; Y218-W293 HydrophobicContact CD1-CZ2 3.8Å; Y218-W293 AromaticContact CD1-NE1 3.26Å; Y218-W293 VanDerWaalsContact CD1-NE1 3.26Å; Y218-W293 AromaticContact CD2-CD1 3.83Å; Y218-W293 AromaticContact CD2-NE1 3.32Å; Y218-W293 VanDerWaalsContact CD2-NE1 3.32Å; Y218-W293 HydrophobicContact CE1-CZ2 4.47Å; Y218-W293 AromaticContact CE1-NE1 3.49Å; Y218-W293 AromaticContact CE2-CD1 3.89Å; Y218-W293 AromaticContact CE2-NE1 3.53Å; Y218-W293 AromaticContact CG-CE2 3.88Å; Y218-W293 HydrophobicContact CG-CZ2 4.12Å; Y218-W293 AromaticContact CG-NE1 3.18Å; Y218-W293 AromaticContact CZ-NE1 3.62Å; Y218-F298 AromaticContact CD2-CD2 3.8Å; Y218-F298 HydrophobicContact CD2-CD2 3.8Å; Y218-F298 AromaticContact CD2-CE2 3.85Å; Y218-F298 HydrophobicContact CD2-CE2 3.85Å; Y218-F298 HydrophobicContact CE2-CD2 4.17Å; Y218-F298 AromaticContact CE2-CE2 3.94Å; Y218-F298 HydrophobicContact CE2-CE2 3.94Å
219Q98.9Very high98.8Very high30 Ų3032.1 Ų32.114%0.1416%0.156CC..Hα-helixtrans-64.5-45173.2-172.963.361.500111.9E215 T216 M217 H222 H223 K301E215-Q219 WeakPolarHBondContact O-CB 3.19Å; E215-Q219 PolarHBondContact O-N 3.45Å; T216-Q219 PolarHBondContact O-N 2.96Å; M217-Q219 VanDerWaalsContact C-N 3.29Å; M217-Q219 PolarHBondContact O-N 3.45Å; Q219-H222 PolarHBondContact O-N 3.28Å; Q219-H223 PolarHBondContact NE2-NE2 3.22Å; Q219-H223 VanDerWaalsContact NE2-NE2 3.13Å; Q219-H223 PolarHBondContact O-N 3.09Å; Q219-H223 VanDerWaalsContact O-N 3.12Å; Q219-K301 PolarHBondContact NE2-O 3.49Å
220V98.9Very high98.8Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-60-47.2173.8163.60000110.8W154 T155 S203 V205 Y207 T216 M217 H222 H223 Q224W154-V220 HydrophobicContact CB-CB 4.48Å; W154-V220 HydrophobicContact CB-CG1 3.86Å; W154-V220 HydrophobicContact CB-CG2 4.2Å; T155-V220 HydrophobicContact CG2-CG2 4.06Å; S203-V220 WeakPolarHBondContact OG-CG1 3.31Å; V205-V220 HydrophobicContact CG2-CG2 4.06Å; Y207-V220 HydrophobicContact CE1-CB 4.47Å; Y207-V220 HydrophobicContact CE1-CG2 4.22Å; Y207-V220 WeakPolarHBondContact OH-CG1 3.22Å; T216-V220 WeakPolarHBondContact O-CG2 3.3Å; T216-V220 PolarHBondContact O-N 2.94Å; M217-V220 WeakPolarHBondContact O-CB 3.08Å; M217-V220 PolarHBondContact O-N 2.87Å; M217-V220 VanDerWaalsContact O-N 3.17Å; V220-H222 VanDerWaalsContact C-N 3.31Å; V220-H222 PolarHBondContact O-N 3.48Å; V220-H223 PolarHBondContact O-N 3.4Å; V220-Q224 PolarHBondContact O-N 3.33Å
221L98.9Very high98.8Very high3 Ų323.5 Ų23.52%0.01612%0.117CC..Hα-helixtrans-60.6-41.8178.3-67.9-175.1000111.7Q190 M217 Y218 H223 Q224 F225 F276Q190-L221 HydrophobicContact CG-CD2 3.8Å; M217-L221 HydrophobicContact CE-CD1 4.25Å; M217-L221 HydrophobicContact CG-CD1 4.24Å; M217-L221 HydrophobicContact CG-CG 4.36Å; M217-L221 VanDerWaalsContact O-CG 3.26Å; M217-L221 WeakPolarHBondContact O-CG 3.5Å; M217-L221 PolarHBondContact O-N 3.35Å; Y218-L221 HydrophobicContact CD1-CD1 4.15Å; Y218-L221 HydrophobicContact CE1-CD1 4.46Å; Y218-L221 PolarHBondContact O-N 3.3Å; L221-H223 PolarHBondContact O-N 3.32Å; L221-Q224 PolarHBondContact O-N 3.4Å; L221-F225 HydrophobicContact CB-CD2 4.32Å; L221-F225 HydrophobicContact CB-CE2 3.9Å; L221-F225 WeakPolarHBondContact O-CB 3.29Å; L221-F225 WeakPolarHBondContact O-CD2 3.19Å; L221-F225 VanDerWaalsContact O-CG 3.25Å; L221-F225 WeakPolarHBondContact O-CG 3.24Å; L221-F225 PolarHBondContact O-N 2.96Å; L221-F276 HydrophobicContact CD1-CE1 3.6Å; L221-F276 HydrophobicContact CD1-CZ 3.57Å; L221-F276 HydrophobicContact CD2-CD1 4.44Å; L221-F276 HydrophobicContact CD2-CE1 3.49Å; L221-F276 VanDerWaalsContact CD2-CE1 3.49Å; L221-F276 HydrophobicContact CD2-CZ 4.19Å; L221-F276 HydrophobicContact CG-CE1 4.14Å
222H99Very high98.9Very high0 Ų013.7 Ų13.70%07%0.071CC..Hα-helixtrans-58.3-48.1175176.665.4000111.8Y218 Q219 V220 Q224 F225 V226 Y285 I300 K301 M302 D306Y218-H222 WeakPolarHBondContact O-CB 3.49Å; Y218-H222 PolarHBondContact O-N 3.04Å; Q219-H222 PolarHBondContact O-N 3.28Å; V220-H222 VanDerWaalsContact C-N 3.31Å; V220-H222 PolarHBondContact O-N 3.48Å; H222-Q224 VanDerWaalsContact C-N 3.34Å; H222-Q224 PolarHBondContact O-N 2.9Å; H222-F225 PolarHBondContact O-N 2.88Å; H222-V226 WeakPolarHBondContact O-CG2 3.15Å; H222-V226 PolarHBondContact O-N 3.3Å; H222-Y285 WeakPolarHBondContact CA-OH 3.44Å; H222-Y285 WeakPolarHBondContact CB-OH 3.46Å; H222-Y285 AromaticContact ND1-CE2 3.96Å; H222-Y285 AromaticContact ND1-CZ 3.78Å; H222-Y285 PolarHBondContact ND1-OH 3.18Å; H222-I300 HydrophobicContact CB-CG2 3.76Å; H222-K301 PolarHBondContact CD2-O 2.91Å; H222-M302 VanDerWaalsContact CE1-CG 3.43Å; H222-M302 WeakPolarHBondContact CE1-CG 3.11Å; H222-M302 WeakPolarHBondContact NE2-CG 3.1Å; H222-D306 IonicContact CE1-OD2 3.87Å; H222-D306 IonicContact NE2-OD2 3.15Å; H222-D306 PolarHBondContact NE2-OD2 3.41Å
223H99Very high98.9Very high9 Ų915 Ų154%0.0428%0.075CC..Hα-helixtrans-59.4-43.2175.3-67158.9000112.3W154 T155 V160 Q219 V220 L221 V226 A227W154-H223 HydrophobicContact CE3-CB 3.96Å; W154-H223 HydrophobicContact CZ3-CB 4.35Å; W154-H223 PolarHBondContact O-ND1 2.74Å; T155-H223 PolarHBondContact O-CE1 3.34Å; V160-H223 HydrophobicContact CG2-CB 3.67Å; Q219-H223 PolarHBondContact NE2-NE2 3.22Å; Q219-H223 VanDerWaalsContact NE2-NE2 3.13Å; Q219-H223 PolarHBondContact O-N 3.09Å; Q219-H223 VanDerWaalsContact O-N 3.12Å; V220-H223 PolarHBondContact O-N 3.4Å; L221-H223 PolarHBondContact O-N 3.32Å; H223-V226 PolarHBondContact O-N 2.92Å; H223-A227 VanDerWaalsContact O-CB 3.22Å; H223-A227 WeakPolarHBondContact O-CB 3.5Å; H223-A227 PolarHBondContact O-N 3.16Å
224Q99Very high98.9Very high1 Ų114 Ų141%0.0057%0.068CC..Hα-helixtrans-68-38.3178.5-71.7-176.6-16.700112.9W154 F184 I187 C202 S203 V220 L221 H222 A227 S228W154-Q224 HydrophobicContact CD2-CG 3.8Å; W154-Q224 HydrophobicContact CE3-CG 3.68Å; W154-Q224 HydrophobicContact CG-CG 4.34Å; W154-Q224 HydrophobicContact CH2-CG 4.39Å; W154-Q224 HydrophobicContact CZ2-CG 4.5Å; W154-Q224 HydrophobicContact CZ3-CG 3.99Å; F184-Q224 HydrophobicContact CD1-CG 4.27Å; F184-Q224 HydrophobicContact CD2-CB 4.49Å; F184-Q224 HydrophobicContact CE1-CB 4.31Å; F184-Q224 HydrophobicContact CE1-CG 3.91Å; F184-Q224 HydrophobicContact CE2-CB 4.26Å; F184-Q224 VanDerWaalsContact CE2-O 3.27Å; F184-Q224 WeakPolarHBondContact CE2-O 3.35Å; F184-Q224 HydrophobicContact CZ-CB 4.17Å; F184-Q224 HydrophobicContact CZ-CG 4.15Å; I187-Q224 HydrophobicContact CD1-CB 4.06Å; C202-Q224 PolarHBondContact O-NE2 2.84Å; S203-Q224 PolarHBondContact OG-NE2 2.98Å; V220-Q224 PolarHBondContact O-N 3.33Å; L221-Q224 PolarHBondContact O-N 3.4Å; H222-Q224 VanDerWaalsContact C-N 3.34Å; H222-Q224 PolarHBondContact O-N 2.9Å; Q224-A227 PolarHBondContact O-N 3.07Å; Q224-S228 WeakPolarHBondContact O-CB 3.08Å; Q224-S228 PolarHBondContact O-N 2.85Å
225F99Very high98.9Very high6 Ų612.9 Ų12.93%0.0266%0.063CC..Hα-helixtrans-64.3-44.2174.5-67.7-46.2000111.7I187 L221 H222 S228 A229 F276 V279 Q280 Y285 L310I187-F225 HydrophobicContact CD1-CD1 4.17Å; I187-F225 HydrophobicContact CD1-CE1 3.99Å; L221-F225 HydrophobicContact CB-CD2 4.32Å; L221-F225 HydrophobicContact CB-CE2 3.9Å; L221-F225 WeakPolarHBondContact O-CB 3.29Å; L221-F225 WeakPolarHBondContact O-CD2 3.19Å; L221-F225 VanDerWaalsContact O-CG 3.25Å; L221-F225 WeakPolarHBondContact O-CG 3.24Å; L221-F225 PolarHBondContact O-N 2.96Å; H222-F225 PolarHBondContact O-N 2.88Å; F225-S228 WeakPolarHBondContact O-CB 3.29Å; F225-S228 PolarHBondContact O-N 2.97Å; F225-A229 WeakPolarHBondContact O-CB 3.29Å; F225-A229 PolarHBondContact O-N 3Å; F225-F276 HydrophobicContact CE1-CB 4.32Å; F225-F276 AromaticContact CE1-CD1 3.93Å; F225-F276 HydrophobicContact CE1-CD1 3.93Å; F225-F276 HydrophobicContact CZ-CB 4.32Å; F225-F276 AromaticContact CZ-CD1 3.58Å; F225-F276 HydrophobicContact CZ-CD1 3.58Å; F225-F276 HydrophobicContact CZ-CE1 4.19Å; F225-F276 HydrophobicContact CZ-CG 4.15Å; F225-V279 HydrophobicContact CB-CG1 3.85Å; F225-V279 HydrophobicContact CD1-CB 4.17Å; F225-V279 HydrophobicContact CD1-CG1 3.76Å; F225-V279 HydrophobicContact CD2-CB 4.35Å; F225-V279 HydrophobicContact CD2-CG1 3.82Å; F225-V279 HydrophobicContact CD2-CG2 4.45Å; F225-V279 HydrophobicContact CE1-CB 4.14Å; F225-V279 HydrophobicContact CE1-CG1 4.23Å; F225-V279 HydrophobicContact CE2-CB 4.31Å; F225-V279 HydrophobicContact CE2-CG1 4.28Å; F225-V279 HydrophobicContact CE2-CG2 4.22Å; F225-V279 HydrophobicContact CG-CB 4.3Å; F225-V279 HydrophobicContact CG-CG1 3.55Å; F225-V279 HydrophobicContact CZ-CB 4.21Å; F225-V279 HydrophobicContact CZ-CG1 4.48Å; F225-V279 HydrophobicContact CZ-CG2 4.41Å; F225-Q280 HydrophobicContact CD1-CG 3.72Å; F225-Q280 HydrophobicContact CE1-CG 3.98Å; F225-Y285 HydrophobicContact CD2-CE1 4.04Å; F225-Y285 HydrophobicContact CE2-CE1 4.2Å; F225-L310 VanDerWaalsContact C-CD2 3.46Å; F225-L310 HydrophobicContact CB-CD2 3.65Å; F225-L310 WeakPolarHBondContact O-CD2 3.41Å
226V99Very high98.9Very high1 Ų115.6 Ų15.61%0.0067%0.071CC..Hα-helixtrans-63-46.4175.9172.70000110.4V160 H222 H223 S228 A229 L230 D306 V309 L310V160-V226 HydrophobicContact CG1-CG1 4.22Å; H222-V226 WeakPolarHBondContact O-CG2 3.15Å; H222-V226 PolarHBondContact O-N 3.3Å; H223-V226 PolarHBondContact O-N 2.92Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 2.86Å; V226-A229 PolarHBondContact O-N 3.02Å; V226-L230 HydrophobicContact CG1-CD1 3.9Å; V226-L230 HydrophobicContact CG1-CG 4.33Å; V226-L230 WeakPolarHBondContact O-CB 3.31Å; V226-L230 VanDerWaalsContact O-CG 3.3Å; V226-L230 WeakPolarHBondContact O-CG 3.34Å; V226-L230 PolarHBondContact O-N 3.47Å; V226-D306 HydrophobicContact CG2-CB 3.96Å; V226-V309 HydrophobicContact CG1-CG1 4.18Å; V226-L310 HydrophobicContact CG2-CD2 4.1Å; V226-L310 HydrophobicContact CG2-CG 4.48Å
227A99Very high98.9Very high0 Ų022 Ų220%09%0.093CC..Hα-helixtrans-60.3-42.117700000112.5W154 V160 F163 F184 H223 Q224 L230 A231W154-A227 HydrophobicContact CH2-CB 3.75Å; W154-A227 HydrophobicContact CZ3-CB 3.8Å; V160-A227 HydrophobicContact CB-CB 4.47Å; V160-A227 HydrophobicContact CG1-CB 3.99Å; V160-A227 HydrophobicContact CG2-CB 4.49Å; F163-A227 HydrophobicContact CD1-CB 3.75Å; F163-A227 HydrophobicContact CE1-CB 4.33Å; F163-A227 HydrophobicContact CG-CB 4.47Å; F184-A227 HydrophobicContact CE2-CB 4.33Å; F184-A227 HydrophobicContact CZ-CB 4.06Å; H223-A227 VanDerWaalsContact O-CB 3.22Å; H223-A227 WeakPolarHBondContact O-CB 3.5Å; H223-A227 PolarHBondContact O-N 3.16Å; Q224-A227 PolarHBondContact O-N 3.07Å; A227-L230 PolarHBondContact O-N 2.79Å; A227-A231 WeakPolarHBondContact O-CB 3.2Å; A227-A231 PolarHBondContact O-N 3.08Å
228S99Very high98.9Very high2 Ų223.2 Ų23.21%0.01410%0.099CC..Hα-helixtrans-58.3-50.9174.6-172.10000110.4T183 Q224 F225 V226 L230 A231 V232 Q280T183-S228 WeakPolarHBondContact CB-OG 3.4Å; T183-S228 WeakPolarHBondContact CG2-OG 3.39Å; T183-S228 PolarHBondContact OG1-OG 3.23Å; Q224-S228 WeakPolarHBondContact O-CB 3.08Å; Q224-S228 PolarHBondContact O-N 2.85Å; F225-S228 WeakPolarHBondContact O-CB 3.29Å; F225-S228 PolarHBondContact O-N 2.97Å; V226-S228 VanDerWaalsContact C-N 3.34Å; V226-S228 PolarHBondContact O-N 2.86Å; S228-L230 PolarHBondContact O-N 3.04Å; S228-A231 PolarHBondContact O-N 3.37Å; S228-V232 WeakPolarHBondContact O-CG2 3.13Å; S228-V232 PolarHBondContact O-N 3.28Å; S228-Q280 PolarHBondContact OG-OE1 3.33Å
229A99Very high98.9Very high4 Ų424.1 Ų24.13%0.03311%0.105CC..Hα-helixtrans-65.9-35.7-179.600000113.5F225 V226 K233 V309 L310 G313F225-A229 WeakPolarHBondContact O-CB 3.29Å; F225-A229 PolarHBondContact O-N 3Å; V226-A229 PolarHBondContact O-N 3.02Å; A229-K233 WeakPolarHBondContact O-CG 3.47Å; A229-K233 PolarHBondContact O-N 2.93Å; A229-K233 VanDerWaalsContact O-N 3.11Å; A229-V309 HydrophobicContact CB-CG1 3.85Å; A229-L310 HydrophobicContact CB-CD2 4.28Å; A229-G313 WeakPolarHBondContact CA-O 3.35Å; A229-G313 WeakPolarHBondContact O-CA 3.42Å
230L99Very high98.9Very high45 Ų4527.5 Ų27.524%0.23613%0.129CC..Hα-helixtrans-65.7-43.7172.6-70.7172.4000111.6V160 V164 V226 A227 S228 V232 K233 A234 V309V160-L230 HydrophobicContact CG1-CD1 3.77Å; V164-L230 HydrophobicContact CG1-CB 4.29Å; V164-L230 HydrophobicContact CG2-CB 3.52Å; V164-L230 HydrophobicContact CG2-CD1 3.94Å; V164-L230 HydrophobicContact CG2-CG 4.38Å; V226-L230 HydrophobicContact CG1-CD1 3.9Å; V226-L230 HydrophobicContact CG1-CG 4.33Å; V226-L230 WeakPolarHBondContact O-CB 3.31Å; V226-L230 VanDerWaalsContact O-CG 3.3Å; V226-L230 WeakPolarHBondContact O-CG 3.34Å; V226-L230 PolarHBondContact O-N 3.47Å; A227-L230 PolarHBondContact O-N 2.79Å; S228-L230 PolarHBondContact O-N 3.04Å; L230-V232 PolarHBondContact O-N 3.32Å; L230-K233 PolarHBondContact O-N 3.16Å; L230-A234 PolarHBondContact O-N 3.39Å; L230-V309 HydrophobicContact CD2-CG1 3.64Å; L230-V309 HydrophobicContact CD2-CG2 4.1Å; L230-V309 HydrophobicContact CG-CG1 3.71Å
231A98.9Very high98.9Very high0 Ų034.9 Ų34.90%016%0.164CC..Hα-helixtrans-62-42.2175.800000111.9F163 A167 F171 T183 A227 S228 K233 A234 A235F163-A231 HydrophobicContact CE1-CB 3.99Å; A167-A231 HydrophobicContact CB-CB 3.96Å; F171-A231 HydrophobicContact CE2-CB 4.07Å; F171-A231 VanDerWaalsContact CE2-O 3.24Å; F171-A231 WeakPolarHBondContact CE2-O 3.21Å; F171-A231 HydrophobicContact CZ-CB 4.45Å; T183-A231 HydrophobicContact CG2-CB 4.35Å; A227-A231 WeakPolarHBondContact O-CB 3.2Å; A227-A231 PolarHBondContact O-N 3.08Å; S228-A231 PolarHBondContact O-N 3.37Å; A231-K233 VanDerWaalsContact C-N 3.33Å; A231-K233 PolarHBondContact O-N 3.47Å; A231-A234 WeakPolarHBondContact O-CB 3.26Å; A231-A234 PolarHBondContact O-N 3.37Å; A231-A235 PolarHBondContact O-N 3.01Å
232V98.9Very high98.9Very high2 Ų235.1 Ų35.11%0.01217%0.165CC..Hα-helixtrans-57.8-45.7173.4170.30000111.2S228 L230 A234 A235 R236 V244 G313 T314S228-V232 WeakPolarHBondContact O-CG2 3.13Å; S228-V232 PolarHBondContact O-N 3.28Å; L230-V232 PolarHBondContact O-N 3.32Å; V232-A234 VanDerWaalsContact C-N 3.34Å; V232-A234 PolarHBondContact O-N 3.17Å; V232-A235 PolarHBondContact O-N 2.84Å; V232-R236 WeakPolarHBondContact O-CB 3.45Å; V232-R236 PolarHBondContact O-N 3.4Å; V232-V244 HydrophobicContact CG2-CB 4.01Å; V232-V244 HydrophobicContact CG2-CG1 3.67Å; V232-G313 WeakPolarHBondContact CB-O 3.47Å; V232-T314 WeakPolarHBondContact CG1-O 3.47Å
233K98.9Very high98.9Very high81 Ų8139.7 Ų39.735%0.35219%0.185SC..Hα-helixtrans-63.9-39.6177.3-72.6177.770.7-169.30112.1A229 L230 A231 R237 K312A229-K233 WeakPolarHBondContact O-CG 3.47Å; A229-K233 PolarHBondContact O-N 2.93Å; A229-K233 VanDerWaalsContact O-N 3.11Å; L230-K233 PolarHBondContact O-N 3.16Å; A231-K233 VanDerWaalsContact C-N 3.33Å; A231-K233 PolarHBondContact O-N 3.47Å; K233-R237 WeakPolarHBondContact O-CB 3.27Å; K233-R237 PolarHBondContact O-N 2.82Å; K233-R237 VanDerWaalsContact O-N 3.08Å; K233-K312 HydrophobicContact CD-CB 4.12Å
234A98.9Very high98.9Very high4 Ų439.3 Ų39.33%0.03318%0.183CC..Hα-helixtrans-63.1-48.4176.300000111.9E168 F171 L230 A231 V232 R236 R237 I238E168-A234 HydrophobicContact CG-CB 3.57Å; F171-A234 HydrophobicContact CD2-CB 4.39Å; L230-A234 PolarHBondContact O-N 3.39Å; A231-A234 WeakPolarHBondContact O-CB 3.26Å; A231-A234 PolarHBondContact O-N 3.37Å; V232-A234 VanDerWaalsContact C-N 3.34Å; V232-A234 PolarHBondContact O-N 3.17Å; A234-R236 VanDerWaalsContact C-N 3.35Å; A234-R236 PolarHBondContact O-N 3.34Å; A234-R237 WeakPolarHBondContact O-CB 3.44Å; A234-R237 PolarHBondContact O-N 3.11Å; A234-R237 VanDerWaalsContact O-N 3.14Å; A234-I238 WeakPolarHBondContact O-CB 3.33Å; A234-I238 VanDerWaalsContact O-CG1 3.31Å; A234-I238 WeakPolarHBondContact O-CG1 3.3Å; A234-I238 PolarHBondContact O-N 2.88Å
235A98.9Very high98.9Very high1 Ų139.3 Ų39.31%0.00818%0.183CC..Hα-helixtrans-55.6-49.3175.800000111.6F171 A231 V232 R237 I238 N239 M242 V244F171-A235 HydrophobicContact CD1-CB 4.24Å; F171-A235 HydrophobicContact CD2-CB 4.02Å; F171-A235 HydrophobicContact CE1-CB 4.04Å; F171-A235 HydrophobicContact CE2-CB 3.82Å; F171-A235 HydrophobicContact CG-CB 4.24Å; F171-A235 HydrophobicContact CZ-CB 3.82Å; A231-A235 PolarHBondContact O-N 3.01Å; V232-A235 PolarHBondContact O-N 2.84Å; A235-R237 VanDerWaalsContact C-N 3.26Å; A235-R237 PolarHBondContact O-N 3.24Å; A235-I238 PolarHBondContact O-N 3.34Å; A235-I238 VanDerWaalsContact O-N 3.12Å; A235-N239 CarbonylContact O-C 3.58Å; A235-N239 PolarHBondContact O-N 2.71Å; A235-N239 VanDerWaalsContact O-O 3.06Å; A235-M242 HydrophobicContact CB-CE 3.89Å; A235-M242 WeakPolarHBondContact O-CE 3.46Å; A235-V244 HydrophobicContact CB-CG2 3.36Å
236R98.7Very high98.9Very high108 Ų10839 Ų3941%0.40818%0.182SC..Hα-helixtrans-58.8-36.3178.2-169.4-178.7-60.6132.82.6112.9V232 A234 K312V232-R236 WeakPolarHBondContact O-CB 3.45Å; V232-R236 PolarHBondContact O-N 3.4Å; A234-R236 VanDerWaalsContact C-N 3.35Å; A234-R236 PolarHBondContact O-N 3.34Å; R236-K312 PolarHBondContact NH1-O 3.24Å
237R98.8Very high98.9Very high157 Ų15739 Ų3959%0.59218%0.181SC*.Hα-helixtrans-70.9-41.1176.1177.5-178.45969.3-3.4112E168 K233 A234 A235E168-R237 IonicContact OE1-CZ 3.34Å; E168-R237 IonicContact OE1-NH2 2.94Å; E168-R237 PolarHBondContact OE1-NH2 3.26Å; K233-R237 WeakPolarHBondContact O-CB 3.27Å; K233-R237 PolarHBondContact O-N 2.82Å; K233-R237 VanDerWaalsContact O-N 3.08Å; A234-R237 WeakPolarHBondContact O-CB 3.44Å; A234-R237 PolarHBondContact O-N 3.11Å; A234-R237 VanDerWaalsContact O-N 3.14Å; A235-R237 VanDerWaalsContact C-N 3.26Å; A235-R237 PolarHBondContact O-N 3.24Å
238I98.9Very high98.9Very high25 Ų2539 Ų3913%0.12818%0.181CC..Hα-helixtrans-74.5-50.2-175.6-72.4165.8000111E168 F171 E172 K175 A234 A235 M242E168-I238 HydrophobicContact CG-CD1 4.49Å; F171-I238 HydrophobicContact CB-CD1 3.62Å; F171-I238 HydrophobicContact CB-CG2 4.41Å; E172-I238 HydrophobicContact CB-CD1 4.44Å; E172-I238 WeakPolarHBondContact OE2-CG2 3.28Å; K175-I238 HydrophobicContact CB-CG2 3.97Å; K175-I238 HydrophobicContact CD-CG2 3.95Å; A234-I238 WeakPolarHBondContact O-CB 3.33Å; A234-I238 VanDerWaalsContact O-CG1 3.31Å; A234-I238 WeakPolarHBondContact O-CG1 3.3Å; A234-I238 PolarHBondContact O-N 2.88Å; A235-I238 PolarHBondContact O-N 3.34Å; A235-I238 VanDerWaalsContact O-N 3.12Å; I238-M242 HydrophobicContact CB-CE 4.28Å; I238-M242 HydrophobicContact CG2-CE 4.1Å
239N98.8Very high98.9Very high27 Ų2739.1 Ų39.114%0.14418%0.183CC..  trans-151.7108.7172.9178.23.8000109.7K175 A235 E241 M242K175-N239 HydrophobicContact CB-CB 4.08Å; K175-N239 PolarHBondContact O-ND2 3Å; A235-N239 CarbonylContact O-C 3.58Å; A235-N239 PolarHBondContact O-N 2.71Å; A235-N239 VanDerWaalsContact O-O 3.06Å; N239-E241 PolarHBondContact O-N 2.72Å; N239-E241 VanDerWaalsContact O-N 3.14Å; N239-E241 WeakPolarHBondContact OD1-CB 3.44Å; N239-E241 PolarHBondContact OD1-N 3.48Å; N239-M242 HydrophobicContact CB-CE 3.88Å; N239-M242 HydrophobicContact CB-CG 3.99Å; N239-M242 HydrophobicContact CB-SD 4.22Å; N239-M242 PolarHBondContact O-N 3.14Å; N239-M242 VanDerWaalsContact O-N 3.14Å
240P98.7Very high98.8Very high101 Ų10139 Ų3966%0.65618%0.182SC*.THydrogen-bonded Turntrans-68.4-8.8-177.929.7-36.3000114.3
241E98.7Very high98.8Very high155 Ų15538.6 Ų38.672%0.72418%0.181SC*.THydrogen-bonded Turntrans-80.8-19.5173.3-65.2-170.5-151.100113.3N239N239-E241 PolarHBondContact O-N 2.72Å; N239-E241 VanDerWaalsContact O-N 3.14Å; N239-E241 WeakPolarHBondContact OD1-CB 3.44Å; N239-E241 PolarHBondContact OD1-N 3.48Å
242M98.9Very high98.8Very high9 Ų938.6 Ų38.64%0.04418%0.181CC..  trans-66.1140.1175-64.9-173.6-55.500110.1F171 K175 W181 A235 I238 N239F171-M242 HydrophobicContact CB-CE 4.11Å; F171-M242 HydrophobicContact CD1-CE 4.17Å; F171-M242 HydrophobicContact CD1-SD 4.47Å; F171-M242 HydrophobicContact CG-CE 4.28Å; K175-M242 HydrophobicContact CB-SD 4.23Å; W181-M242 HydrophobicContact CZ2-SD 4.26Å; W181-M242 PolarHBondContact NE1-SD 3.12Å; W181-M242 VanDerWaalsContact NE1-SD 3.4Å; A235-M242 HydrophobicContact CB-CE 3.89Å; A235-M242 WeakPolarHBondContact O-CE 3.46Å; I238-M242 HydrophobicContact CB-CE 4.28Å; I238-M242 HydrophobicContact CG2-CE 4.1Å; N239-M242 HydrophobicContact CB-CE 3.88Å; N239-M242 HydrophobicContact CB-CG 3.99Å; N239-M242 HydrophobicContact CB-SD 4.22Å; N239-M242 PolarHBondContact O-N 3.14Å; N239-M242 VanDerWaalsContact O-N 3.14Å
243K98.9Very high98.8Very high96 Ų9638.6 Ų38.642%0.41718%0.181SC..EExtended strand (participates in β ladder)trans-106.4123.7175.8-64.1-175.2179.6-620109.5K179 Y180 W181 D316 Y317 M426K179-K243 PolarHBondContact O-N 2.99Å; Y180-K243 HydrophobicContact CD1-CB 4.4Å; Y180-K243 HydrophobicContact CD1-CD 4.34Å; Y180-K243 HydrophobicContact CE1-CD 4.14Å; W181-K243 PolarHBondContact N-O 2.61Å; K243-D316 HydrophobicContact CB-CB 4.41Å; K243-Y317 HydrophobicContact CB-CD1 4.06Å; K243-Y317 HydrophobicContact CB-CE1 3.97Å; K243-M426 HydrophobicContact CD-CE 4.4Å
244V99Very high98.8Very high1 Ų136.9 Ų36.91%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-113.5107.9178-172.90000109.6F171 W181 T183 V232 A235 C315 D316F171-V244 HydrophobicContact CE1-CG2 4.34Å; F171-V244 HydrophobicContact CZ-CG2 4.21Å; W181-V244 HydrophobicContact CB-CG1 4.42Å; W181-V244 HydrophobicContact CB-CG2 4.14Å; W181-V244 CarbonylContact O-C 3.26Å; W181-V244 WeakPolarHBondContact O-CA 3.27Å; T183-V244 HydrophobicContact CG2-CG1 3.8Å; V232-V244 HydrophobicContact CG2-CB 4.01Å; V232-V244 HydrophobicContact CG2-CG1 3.67Å; A235-V244 HydrophobicContact CB-CG2 3.36Å; V244-C315 CarbonylContact O-C 3.47Å; V244-C315 VanDerWaalsContact O-CA 3.23Å; V244-C315 WeakPolarHBondContact O-CA 3.4Å; V244-C315 VanDerWaalsContact O-CB 3.25Å; V244-C315 WeakPolarHBondContact O-CB 3.29Å; V244-D316 PolarHBondContact N-OD2 3.27Å; V244-D316 PolarHBondContact O-N 3.28Å
245G99Very high98.7Very high0 Ų039.1 Ų39.10%019%0.187CC..EExtended strand (participates in β ladder)trans-91.7164.7177.600000113.5W181 M182 T183 Y317W181-G245 PolarHBondContact O-N 2.88Å; M182-G245 WeakPolarHBondContact CA-O 3.5Å; T183-G245 PolarHBondContact N-O 3.37Å; G245-Y317 WeakPolarHBondContact CA-O 3.34Å
246C98.9Very high98.7Very high0 Ų044.1 Ų44.10%021%0.206CC..EExtended strand (participates in β ladder)trans-88.6166.4159.659.80000110.4Q280 C315 Y317 G319C246-Q280 HydrophobicContact CB-CB 3.95Å; C246-Q280 HydrophobicContact CB-CG 4.42Å; C246-C315 HydrophobicContact CB-CB 4.31Å; C246-Y317 PolarHBondContact N-O 3.08Å; C246-Y317 VanDerWaalsContact N-O 3.16Å; C246-G319 VanDerWaalsContact O-CA 3.31Å; C246-G319 WeakPolarHBondContact O-CA 3.14Å; C246-G319 PolarHBondContact O-N 3.03Å
247M98.9Very high98.7Very high0 Ų041.1 Ų41.10%020%0.202CC..EExtended strand (participates in β ladder)trans-126.6120.6172.4-158.4-66.8-172.700110.5M182 F184 N185 E186 I187 G319 V382 E383M182-M247 HydrophobicContact CB-CB 4.46Å; M182-M247 HydrophobicContact CG-CB 4.5Å; M182-M247 HydrophobicContact SD-CB 3.92Å; M182-M247 HydrophobicContact SD-CG 3.82Å; F184-M247 WeakPolarHBondContact O-CB 3.49Å; N185-M247 WeakPolarHBondContact OD1-CE 3.45Å; E186-M247 HydrophobicContact CB-SD 4.18Å; E186-M247 HydrophobicContact CG-CE 3.51Å; E186-M247 HydrophobicContact CG-SD 3.47Å; E186-M247 WeakPolarHBondContact CG-SD 3.45Å; E186-M247 PolarHBondContact N-SD 3.37Å; I187-M247 PolarHBondContact N-O 2.9Å; M247-G319 CarbonylContact C-O 3.59Å; M247-G319 WeakPolarHBondContact CA-O 3.33Å; M247-V382 HydrophobicContact CE-CG2 3.74Å; M247-V382 HydrophobicContact CG-CG2 3.87Å; M247-E383 HydrophobicContact CE-CG 4.08Å; M247-E383 WeakPolarHBondContact CE-OE1 3.32Å
248L98.9Very high98.6Very high0 Ų039.5 Ų39.50%021%0.213CC..EExtended strand (participates in β ladder)trans-113.8134.1179.8-178.777.6000111.3N188 M250 R273 F276 T277 L318 G319 F320 S321 L371N188-L248 HydrophobicContact CB-CD1 4.08Å; N188-L248 VanDerWaalsContact CG-CD1 3.49Å; N188-L248 WeakPolarHBondContact OD1-CD1 3.49Å; L248-M250 HydrophobicContact CD2-CB 4.25Å; L248-M250 HydrophobicContact CD2-SD 3.98Å; L248-M250 PolarHBondContact O-N 3.15Å; L248-R273 HydrophobicContact CD1-CB 4.34Å; L248-R273 WeakPolarHBondContact CD1-O 3.41Å; L248-F276 HydrophobicContact CD1-CB 4.42Å; L248-T277 HydrophobicContact CB-CG2 4.16Å; L248-T277 HydrophobicContact CD1-CG2 4.22Å; L248-T277 HydrophobicContact CD2-CG2 4.04Å; L248-T277 HydrophobicContact CG-CG2 4.37Å; L248-L318 HydrophobicContact CB-CD2 4.49Å; L248-G319 PolarHBondContact N-O 3.11Å; L248-F320 HydrophobicContact CB-CB 4.24Å; L248-F320 CarbonylContact O-C 3.57Å; L248-F320 WeakPolarHBondContact O-CA 3.35Å; L248-F320 WeakPolarHBondContact O-CB 3.43Å; L248-S321 PolarHBondContact O-N 3.36Å; L248-L371 HydrophobicContact CD2-CD2 4.17Å
249A98.7Very high98.6Very high6 Ų641.9 Ų41.95%0.0523%0.226CC..EExtended strand (participates in β ladder)trans-77.5105.1160.200000110.3E186 N188 N189 S321E186-A249 HydrophobicContact CB-CB 3.88Å; E186-A249 HydrophobicContact CG-CB 3.77Å; N188-A249 PolarHBondContact ND2-O 2.87Å; N188-A249 PolarHBondContact OD1-N 2.53Å; N189-A249 WeakPolarHBondContact OD1-CB 3.38Å; A249-S321 WeakPolarHBondContact CA-OG 3.23Å
250M98.7Very high98.6Very high2 Ų245.2 Ų45.21%0.0125%0.25CC..  trans-97.898.8-176.1-17359.1175.500110.8L248 P252 M270 Y274 F320 S321 A367 L371L248-M250 HydrophobicContact CD2-CB 4.25Å; L248-M250 HydrophobicContact CD2-SD 3.98Å; L248-M250 PolarHBondContact O-N 3.15Å; M250-P252 HydrophobicContact CE-CG 4.28Å; M250-P252 WeakPolarHBondContact O-CD 3.24Å; M250-M270 HydrophobicContact CE-CE 3.59Å; M250-M270 HydrophobicContact SD-CE 4.01Å; M250-Y274 HydrophobicContact CE-CE1 4.37Å; M250-F320 HydrophobicContact CB-CB 4.29Å; M250-F320 HydrophobicContact CB-CD2 3.72Å; M250-F320 HydrophobicContact CB-CE2 4.49Å; M250-F320 HydrophobicContact CB-CG 4.37Å; M250-F320 HydrophobicContact CG-CD2 4.38Å; M250-S321 WeakPolarHBondContact CB-O 3.36Å; M250-S321 PolarHBondContact N-O 2.8Å; M250-A367 HydrophobicContact CE-CB 4.05Å; M250-A367 HydrophobicContact CG-CB 3.79Å; M250-L371 HydrophobicContact CE-CD1 4.46Å; M250-L371 HydrophobicContact CE-CD2 4.16Å; M250-L371 HydrophobicContact CE-CG 4.13Å; M250-L371 HydrophobicContact CG-CD1 4.1Å; M250-L371 HydrophobicContact SD-CD1 4.36Å; M250-L371 HydrophobicContact SD-CD2 4.2Å; M250-L371 HydrophobicContact SD-CG 4.46Å
251V98.4Very high98.6Very high36 Ų3646.5 Ų46.522%0.21825%0.247CC..  trans-110.497.8168-177.30000108M324V251-M324 HydrophobicContact CG1-CG 4.1Å; V251-M324 HydrophobicContact CG2-CG 4.43Å
252P98.7Very high98.6Very high0 Ų039.3 Ų39.30%021%0.213CC..  trans-54.2139.1173.2-27.334.6000112.3M250 Y254 Y322 T325 N326 Y366 A367M250-P252 HydrophobicContact CE-CG 4.28Å; M250-P252 WeakPolarHBondContact O-CD 3.24Å; P252-Y254 HydrophobicContact CB-CE1 4.16Å; P252-Y322 HydrophobicContact CG-CE2 4.05Å; P252-T325 HydrophobicContact CB-CG2 3.79Å; P252-T325 HydrophobicContact CG-CG2 3.8Å; P252-N326 PolarHBondContact O-N 2.86Å; P252-Y366 HydrophobicContact CB-CD1 3.79Å; P252-Y366 HydrophobicContact CB-CE1 3.88Å; P252-Y366 HydrophobicContact CG-CD1 4.07Å; P252-A367 HydrophobicContact CG-CB 4.02Å
253L98.4Very high98.6Very high2 Ų242.3 Ų42.31%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-111.2104174.2-58.5-175000109.5S269 M270 N326 V328 F341L253-S269 VanDerWaalsContact CD1-CB 3.43Å; L253-M270 HydrophobicContact CB-CG 4.17Å; L253-M270 HydrophobicContact CB-SD 3.95Å; L253-M270 HydrophobicContact CD1-SD 4.42Å; L253-M270 HydrophobicContact CG-SD 3.89Å; L253-M270 PolarHBondContact N-SD 2.62Å; L253-N326 WeakPolarHBondContact CA-O 3.38Å; L253-N326 HydrophobicContact CD2-CB 3.75Å; L253-V328 HydrophobicContact CB-CG1 4.19Å; L253-V328 HydrophobicContact CB-CG2 4.21Å; L253-V328 HydrophobicContact CD1-CG1 4.23Å; L253-V328 HydrophobicContact CD2-CG1 4.03Å; L253-V328 HydrophobicContact CG-CG1 4.39Å; L253-F341 HydrophobicContact CD1-CD1 3.71Å; L253-F341 HydrophobicContact CD1-CD2 4.2Å; L253-F341 HydrophobicContact CD1-CE1 3.53Å; L253-F341 HydrophobicContact CD1-CE2 4.03Å; L253-F341 HydrophobicContact CD1-CG 4.06Å; L253-F341 HydrophobicContact CD1-CZ 3.72Å; L253-F341 HydrophobicContact CD2-CD1 4.17Å; L253-F341 HydrophobicContact CD2-CG 4.29Å
254Y98.6Very high98.6Very high44 Ų4442 Ų4217%0.17323%0.233CC..EExtended strand (participates in β ladder)trans-78.9139.9174.4-57.4-35.1000110.9P252 Y256 T325 N326 A327 V328 D360 G363 Y366P252-Y254 HydrophobicContact CB-CE1 4.16Å; Y254-Y256 PolarHBondContact O-N 3Å; Y254-T325 HydrophobicContact CE1-CG2 4.48Å; Y254-T325 HydrophobicContact CE2-CG2 3.98Å; Y254-T325 WeakPolarHBondContact CE2-OG1 3.31Å; Y254-T325 WeakPolarHBondContact OH-CG2 3.45Å; Y254-N326 PolarHBondContact N-O 3.36Å; Y254-A327 CarbonylContact O-C 3.58Å; Y254-A327 WeakPolarHBondContact O-CA 3.05Å; Y254-V328 WeakPolarHBondContact O-CG2 3.43Å; Y254-V328 PolarHBondContact O-N 2.87Å; Y254-D360 WeakPolarHBondContact CE2-OD2 3.36Å; Y254-D360 PolarHBondContact OH-OD2 3.1Å; Y254-G363 WeakPolarHBondContact OH-CA 3.27Å; Y254-Y366 HydrophobicContact CD1-CE1 4.43Å; Y254-Y366 AromaticContact CE1-CD1 3.78Å; Y254-Y366 HydrophobicContact CE1-CD1 3.78Å; Y254-Y366 HydrophobicContact CE1-CE1 4.02Å; Y254-Y366 HydrophobicContact CE1-CG 4.08Å
255P98.3Very high98.5Very high52 Ų5244.8 Ų44.834%0.33825%0.245SC..EExtended strand (participates in β ladder)trans-64.2129.1163.630.6-33.9000108.6S257 D262 V263 A266P255-S257 PolarHBondContact O-N 2.95Å; P255-D262 HydrophobicContact CB-CB 4.16Å; P255-D262 WeakPolarHBondContact CB-O 3.42Å; P255-V263 HydrophobicContact CB-CG2 4.11Å; P255-V263 HydrophobicContact CG-CG2 4.23Å; P255-A266 HydrophobicContact CB-CB 3.99Å; P255-A266 HydrophobicContact CG-CB 4.47Å
256Y97.8Very high98.5Very high105 Ų10545 Ų4541%0.41225%0.247SC..SBendtrans-60.4-31.6-177.5179.2-97.1000112.6Y254 A327 V328 K329 V345Y254-Y256 PolarHBondContact O-N 3Å; Y256-A327 HydrophobicContact CD2-CB 4.2Å; Y256-V328 VanDerWaalsContact CB-O 3.27Å; Y256-V328 WeakPolarHBondContact CB-O 3.22Å; Y256-V328 PolarHBondContact N-O 3.45Å; Y256-K329 HydrophobicContact CD1-CD 3.62Å; Y256-K329 HydrophobicContact CD1-CG 3.8Å; Y256-K329 HydrophobicContact CD2-CD 4.32Å; Y256-K329 HydrophobicContact CD2-CG 4.3Å; Y256-K329 HydrophobicContact CE1-CD 4.11Å; Y256-K329 HydrophobicContact CG-CD 3.75Å; Y256-K329 HydrophobicContact CG-CG 3.55Å; Y256-V345 HydrophobicContact CD2-CG2 3.33Å; Y256-V345 HydrophobicContact CE2-CG2 3.89Å; Y256-V345 HydrophobicContact CG-CG2 4Å
257S98.1Very high98.5Very high46 Ų4649.2 Ų49.232%0.32227%0.267SS..SBendtrans-141.9172.7177.578.70000111.7P255 N259 D262P255-S257 PolarHBondContact O-N 2.95Å; S257-N259 PolarHBondContact O-N 3.35Å; S257-N259 WeakPolarHBondContact OG-CB 3.44Å; S257-N259 PolarHBondContact OG-N 2.93Å; S257-D262 PolarHBondContact OG-OD2 2.79Å
258C98.5Very high98.5Very high123 Ų12353.8 Ų53.883%0.83129%0.288SS*.SBendtrans-77.19.3171.961.70000113.8
259N98.5Very high98.4Very high75 Ų7554.1 Ų54.140%0.40129%0.29SS..  trans-56126.3169.4-179.60.8000109.1S257 E261 D262 V263S257-N259 PolarHBondContact O-N 3.35Å; S257-N259 WeakPolarHBondContact OG-CB 3.44Å; S257-N259 PolarHBondContact OG-N 2.93Å; N259-E261 PolarHBondContact O-N 3.21Å; N259-E261 VanDerWaalsContact O-N 3.11Å; N259-E261 PolarHBondContact OD1-N 2.86Å; N259-D262 HydrophobicContact CB-CB 4.27Å; N259-D262 PolarHBondContact O-N 3Å; N259-V263 PolarHBondContact O-N 2.7Å
260P98.7Very high98.4Very high97 Ų9754.1 Ų54.163%0.6329%0.29SS*.Hα-helixtrans-50.7-36.7179.5-30.636.4000114.3V263 M264P260-V263 PolarHBondContact O-N 3.45Å; P260-M264 WeakPolarHBondContact O-CB 3.31Å; P260-M264 PolarHBondContact O-N 3.46Å
261E98.5Very high98.4Very high127 Ų12757 Ų5759%0.59330%0.3SS*.Hα-helixtrans-67.2-40.7178-63.4-60.4155.600112.1N259 M264 F265 A330N259-E261 PolarHBondContact O-N 3.21Å; N259-E261 VanDerWaalsContact O-N 3.11Å; N259-E261 PolarHBondContact OD1-N 2.86Å; E261-M264 PolarHBondContact O-N 3.07Å; E261-F265 WeakPolarHBondContact O-CB 3.23Å; E261-F265 PolarHBondContact O-N 3.43Å; E261-A330 HydrophobicContact CB-CB 3.85Å
262D98.1Very high98.4Very high5 Ų557.5 Ų57.53%0.02730%0.3CS..Hα-helixtrans-65.5-41176-70.9-20.5000110.8P255 S257 N259 F265 A266 K329 A330P255-D262 HydrophobicContact CB-CB 4.16Å; P255-D262 WeakPolarHBondContact CB-O 3.42Å; S257-D262 PolarHBondContact OG-OD2 2.79Å; N259-D262 HydrophobicContact CB-CB 4.27Å; N259-D262 PolarHBondContact O-N 3Å; D262-F265 PolarHBondContact O-N 2.87Å; D262-A266 WeakPolarHBondContact O-CB 3.37Å; D262-A266 PolarHBondContact O-N 3.44Å; D262-K329 WeakPolarHBondContact OD1-CA 3.46Å; D262-A330 PolarHBondContact OD1-N 2.82Å
263V98.8Very high98.4Very high72 Ų7258.5 Ų58.544%0.43630%0.304SS..Hα-helixtrans-62.1-49177.1175.80000111P255 N259 P260 A266 Q267P255-V263 HydrophobicContact CB-CG2 4.11Å; P255-V263 HydrophobicContact CG-CG2 4.23Å; N259-V263 PolarHBondContact O-N 2.7Å; P260-V263 PolarHBondContact O-N 3.45Å; V263-A266 PolarHBondContact O-N 2.88Å; V263-Q267 PolarHBondContact O-N 3.09Å; V263-Q267 VanDerWaalsContact O-N 3.09Å
264M98.6Very high98.4Very high88 Ų8858.8 Ų58.843%0.43331%0.305SS..Hα-helixtrans-67.5-39.9-179.9-167.763-118.500111.3P260 E261 Q267 E268P260-M264 WeakPolarHBondContact O-CB 3.31Å; P260-M264 PolarHBondContact O-N 3.46Å; E261-M264 PolarHBondContact O-N 3.07Å; M264-Q267 HydrophobicContact CE-CB 4.11Å; M264-Q267 HydrophobicContact CE-CG 4.35Å; M264-Q267 PolarHBondContact O-N 3.31Å; M264-E268 PolarHBondContact O-N 2.97Å
265F98Very high98.4Very high60 Ų6057.1 Ų57.126%0.26330%0.299SS..Hα-helixtrans-60.7-46.1176-177.9-109.9000112E261 D262 Q267 E268 S269 V328 K329 A330 F341E261-F265 WeakPolarHBondContact O-CB 3.23Å; E261-F265 PolarHBondContact O-N 3.43Å; D262-F265 PolarHBondContact O-N 2.87Å; F265-Q267 PolarHBondContact O-N 3.47Å; F265-E268 PolarHBondContact O-N 3.32Å; F265-S269 WeakPolarHBondContact O-CB 3.49Å; F265-S269 PolarHBondContact O-N 2.72Å; F265-S269 PolarHBondContact O-OG 2.83Å; F265-V328 HydrophobicContact CD1-CB 3.98Å; F265-V328 HydrophobicContact CD1-CG2 3.91Å; F265-V328 HydrophobicContact CE1-CB 3.87Å; F265-V328 HydrophobicContact CE1-CG2 4.24Å; F265-K329 WeakPolarHBondContact CE1-O 3.39Å; F265-A330 HydrophobicContact CB-CB 4.01Å; F265-A330 HydrophobicContact CG-CB 4.35Å; F265-F341 HydrophobicContact CE1-CE1 4.39Å; F265-F341 HydrophobicContact CZ-CE1 4.41Å
266A98.2Very high98.4Very high5 Ų554.6 Ų54.64%0.04128%0.283CS..Hα-helixtrans-61.3-42.6175.700000112.1P255 D262 V263 E268 S269 M270 V328P255-A266 HydrophobicContact CB-CB 3.99Å; P255-A266 HydrophobicContact CG-CB 4.47Å; D262-A266 WeakPolarHBondContact O-CB 3.37Å; D262-A266 PolarHBondContact O-N 3.44Å; V263-A266 PolarHBondContact O-N 2.88Å; A266-E268 PolarHBondContact O-N 2.93Å; A266-S269 PolarHBondContact O-N 2.95Å; A266-M270 PolarHBondContact O-N 2.91Å; A266-V328 HydrophobicContact CB-CG2 3.68Å
267Q98.8Very high98.5Very high88 Ų8849.7 Ų49.741%0.41126%0.264SS..Hα-helixtrans-61.3-44.3177.9-166.6-73.4-29.500112V263 M264 F265V263-Q267 PolarHBondContact O-N 3.09Å; V263-Q267 VanDerWaalsContact O-N 3.09Å; M264-Q267 HydrophobicContact CE-CB 4.11Å; M264-Q267 HydrophobicContact CE-CG 4.35Å; M264-Q267 PolarHBondContact O-N 3.31Å; F265-Q267 PolarHBondContact O-N 3.47Å
268E98.5Very high98.5Very high96 Ų9647.6 Ų47.645%0.44925%0.249SC..Hα-helixtrans-68.4-42.5176.6-178.6162.1-158.600111.5M264 F265 A266 M270 R271M264-E268 PolarHBondContact O-N 2.97Å; F265-E268 PolarHBondContact O-N 3.32Å; A266-E268 PolarHBondContact O-N 2.93Å; E268-M270 VanDerWaalsContact C-N 3.33Å; E268-M270 PolarHBondContact O-N 2.93Å; E268-R271 WeakPolarHBondContact O-CB 3.18Å; E268-R271 WeakPolarHBondContact O-CG 3.23Å; E268-R271 PolarHBondContact O-N 3.18Å; E268-R271 IonicContact OE1-NH1 3.87Å
269S97.8Very high98.6Very high7 Ų741.9 Ų41.95%0.04921%0.21CC..Hα-helixtrans-61.9-35.8179-66.40000113.5L253 F265 A266 R271 E272 R273 F341L253-S269 VanDerWaalsContact CD1-CB 3.43Å; F265-S269 WeakPolarHBondContact O-CB 3.49Å; F265-S269 PolarHBondContact O-N 2.72Å; F265-S269 PolarHBondContact O-OG 2.83Å; A266-S269 PolarHBondContact O-N 2.95Å; S269-R271 PolarHBondContact O-N 2.97Å; S269-E272 WeakPolarHBondContact O-CB 3.4Å; S269-E272 PolarHBondContact O-N 2.82Å; S269-E272 VanDerWaalsContact O-N 3.15Å; S269-R273 PolarHBondContact O-NH1 3.16Å; S269-F341 VanDerWaalsContact OG-CZ 3.3Å; S269-F341 WeakPolarHBondContact OG-CZ 3.24Å
270M98.7Very high98.6Very high7 Ų738.7 Ų38.73%0.03419%0.193CC..THydrogen-bonded Turntrans-65.6-17.3175.1-81.6-58.8-64.300113.1M250 L253 A266 E268 E272 R273 Y274M250-M270 HydrophobicContact CE-CE 3.59Å; M250-M270 HydrophobicContact SD-CE 4.01Å; L253-M270 HydrophobicContact CB-CG 4.17Å; L253-M270 HydrophobicContact CB-SD 3.95Å; L253-M270 HydrophobicContact CD1-SD 4.42Å; L253-M270 HydrophobicContact CG-SD 3.89Å; L253-M270 PolarHBondContact N-SD 2.62Å; A266-M270 PolarHBondContact O-N 2.91Å; E268-M270 VanDerWaalsContact C-N 3.33Å; E268-M270 PolarHBondContact O-N 2.93Å; M270-E272 PolarHBondContact O-N 3.48Å; M270-R273 HydrophobicContact CE-CB 4.3Å; M270-R273 PolarHBondContact O-N 3.49Å; M270-Y274 HydrophobicContact CB-CD2 4.04Å; M270-Y274 HydrophobicContact CB-CE2 3.71Å; M270-Y274 HydrophobicContact CE-CD1 4.47Å; M270-Y274 HydrophobicContact CE-CE1 3.7Å; M270-Y274 HydrophobicContact CE-CE2 4.1Å; M270-Y274 VanDerWaalsContact CE-CZ 3.5Å; M270-Y274 WeakPolarHBondContact CE-OH 3.37Å; M270-Y274 PolarHBondContact O-N 3.41Å
271R98.7Very high98.6Very high61 Ų6135 Ų3523%0.2317%0.168CC..Hα-helixtrans-63.1-23.7173.4-58.3172.6-170.6172.30.4112.2E268 S269 R273 Y274 V275 Y288E268-R271 WeakPolarHBondContact O-CB 3.18Å; E268-R271 WeakPolarHBondContact O-CG 3.23Å; E268-R271 PolarHBondContact O-N 3.18Å; E268-R271 IonicContact OE1-NH1 3.87Å; S269-R271 PolarHBondContact O-N 2.97Å; R271-R273 PolarHBondContact O-N 3.33Å; R271-Y274 PolarHBondContact O-N 2.67Å; R271-V275 WeakPolarHBondContact O-CB 3.22Å; R271-V275 WeakPolarHBondContact O-CG1 3.42Å; R271-V275 PolarHBondContact O-N 2.83Å; R271-Y288 HydrophobicContact CB-CD2 4.11Å; R271-Y288 HydrophobicContact CB-CE2 3.66Å; R271-Y288 HydrophobicContact CG-CD2 4.32Å; R271-Y288 HydrophobicContact CG-CE1 4.38Å; R271-Y288 HydrophobicContact CG-CE2 4.13Å
272E98Very high98.6Very high48 Ų4833.2 Ų33.222%0.22416%0.156CC..Hα-helixtrans-66.1-14.4171.2-65.1-160.3174.500113.6R191 S269 M270 F276 F341R191-E272 HydrophobicContact CG-CB 3.87Å; R191-E272 HydrophobicContact CG-CG 4.08Å; R191-E272 VanDerWaalsContact CZ-CD 3.43Å; R191-E272 IonicContact CZ-OE1 2.78Å; R191-E272 IonicContact CZ-OE2 2.85Å; R191-E272 IonicContact NH1-OE1 3.78Å; R191-E272 PolarHBondContact NH1-OE1 3.36Å; R191-E272 IonicContact NH1-OE2 3.88Å; R191-E272 PolarHBondContact NH1-OE2 2.83Å; R191-E272 IonicContact NH2-OE1 3.72Å; R191-E272 PolarHBondContact NH2-OE1 2.99Å; S269-E272 WeakPolarHBondContact O-CB 3.4Å; S269-E272 PolarHBondContact O-N 2.82Å; S269-E272 VanDerWaalsContact O-N 3.15Å; M270-E272 PolarHBondContact O-N 3.48Å; E272-F276 WeakPolarHBondContact O-CD2 3.5Å; E272-F276 WeakPolarHBondContact O-CE2 3.32Å; E272-F341 HydrophobicContact CG-CE2 4.45Å; E272-F341 WeakPolarHBondContact OE2-CE2 3.45Å
273R98.5Very high98.6Very high20 Ų2033 Ų338%0.07515%0.154CC..Hα-helixtrans-102.9-47.3171.8-65.383.1-174.1154.32.5109.7L248 S269 M270 R271 V275 F276 F341L248-R273 HydrophobicContact CD1-CB 4.34Å; L248-R273 WeakPolarHBondContact CD1-O 3.41Å; S269-R273 PolarHBondContact O-NH1 3.16Å; M270-R273 HydrophobicContact CE-CB 4.3Å; M270-R273 PolarHBondContact O-N 3.49Å; R271-R273 PolarHBondContact O-N 3.33Å; R273-V275 VanDerWaalsContact C-N 3.34Å; R273-V275 PolarHBondContact O-N 2.7Å; R273-F276 PolarHBondContact O-N 2.9Å; R273-F341 VanDerWaalsContact NH1-CD2 3.27Å
274Y98.8Very high98.7Very high9 Ų935.8 Ų35.84%0.03516%0.158CC..Hα-helixtrans-66.7-28.5-175.2-62-31.9000113.9M250 M270 R271 F276 T277 D278 E370 L371 Y375M250-Y274 HydrophobicContact CE-CE1 4.37Å; M270-Y274 HydrophobicContact CB-CD2 4.04Å; M270-Y274 HydrophobicContact CB-CE2 3.71Å; M270-Y274 HydrophobicContact CE-CD1 4.47Å; M270-Y274 HydrophobicContact CE-CE1 3.7Å; M270-Y274 HydrophobicContact CE-CE2 4.1Å; M270-Y274 VanDerWaalsContact CE-CZ 3.5Å; M270-Y274 WeakPolarHBondContact CE-OH 3.37Å; M270-Y274 PolarHBondContact O-N 3.41Å; R271-Y274 PolarHBondContact O-N 2.67Å; Y274-F276 PolarHBondContact O-N 3.26Å; Y274-T277 PolarHBondContact O-N 2.97Å; Y274-T277 PolarHBondContact O-OG1 3.32Å; Y274-D278 WeakPolarHBondContact O-CB 3.28Å; Y274-D278 PolarHBondContact O-N 3.38Å; Y274-E370 PolarHBondContact OH-OE2 3.04Å; Y274-L371 HydrophobicContact CE1-CD2 4.06Å; Y274-Y375 PolarHBondContact O-OH 3.09Å
275V98.9Very high98.7Very high8 Ų832.3 Ų32.35%0.04814%0.14CC..Hα-helixtrans-58.1-36.8179.266.80000112.6R271 R273 V279 P286 Y288 V289R271-V275 WeakPolarHBondContact O-CB 3.22Å; R271-V275 WeakPolarHBondContact O-CG1 3.42Å; R271-V275 PolarHBondContact O-N 2.83Å; R273-V275 VanDerWaalsContact C-N 3.34Å; R273-V275 PolarHBondContact O-N 2.7Å; V275-V279 VanDerWaalsContact O-CG2 3.32Å; V275-V279 WeakPolarHBondContact O-CG2 3.45Å; V275-V279 PolarHBondContact O-N 2.55Å; V275-P286 HydrophobicContact CG2-CG 3.9Å; V275-Y288 VanDerWaalsContact CA-OH 3.23Å; V275-Y288 WeakPolarHBondContact CA-OH 3.43Å; V275-Y288 HydrophobicContact CB-CE2 4.04Å; V275-Y288 HydrophobicContact CG2-CE2 4.27Å; V275-Y288 PolarHBondContact N-OH 3.01Å; V275-V289 HydrophobicContact CG2-CB 3.97Å; V275-V289 HydrophobicContact CG2-CG1 3.89Å; V275-V289 HydrophobicContact CG2-CG2 4.14Å
276F98.9Very high98.7Very high0 Ų029.9 Ų29.90%013%0.131CC..Hα-helixtrans-70.6-39.4-178.9-64.5-96.3000112.5I187 N188 R191 L221 F225 L248 E272 R273 Y274 Q280I187-F276 HydrophobicContact CB-CD1 4.33Å; I187-F276 HydrophobicContact CG1-CD1 4.08Å; I187-F276 HydrophobicContact CG1-CE1 4.34Å; I187-F276 HydrophobicContact CG2-CB 4.01Å; I187-F276 HydrophobicContact CG2-CD1 3.62Å; I187-F276 HydrophobicContact CG2-CE1 4.46Å; I187-F276 HydrophobicContact CG2-CG 4.14Å; I187-F276 WeakPolarHBondContact O-CE1 3.33Å; N188-F276 HydrophobicContact CB-CB 4.45Å; N188-F276 HydrophobicContact CB-CD1 4.04Å; N188-F276 HydrophobicContact CB-CD2 3.42Å; N188-F276 VanDerWaalsContact CB-CD2 3.42Å; N188-F276 HydrophobicContact CB-CE1 4.07Å; N188-F276 HydrophobicContact CB-CE2 3.55Å; N188-F276 HydrophobicContact CB-CG 3.71Å; N188-F276 HydrophobicContact CB-CZ 3.88Å; R191-F276 HydrophobicContact CB-CE2 3.96Å; R191-F276 HydrophobicContact CB-CZ 3.88Å; R191-F276 HydrophobicContact CG-CE2 4.21Å; R191-F276 HydrophobicContact CG-CZ 4.43Å; L221-F276 HydrophobicContact CD1-CE1 3.6Å; L221-F276 HydrophobicContact CD1-CZ 3.57Å; L221-F276 HydrophobicContact CD2-CD1 4.44Å; L221-F276 HydrophobicContact CD2-CE1 3.49Å; L221-F276 VanDerWaalsContact CD2-CE1 3.49Å; L221-F276 HydrophobicContact CD2-CZ 4.19Å; L221-F276 HydrophobicContact CG-CE1 4.14Å; F225-F276 HydrophobicContact CE1-CB 4.32Å; F225-F276 AromaticContact CE1-CD1 3.93Å; F225-F276 HydrophobicContact CE1-CD1 3.93Å; F225-F276 HydrophobicContact CZ-CB 4.32Å; F225-F276 AromaticContact CZ-CD1 3.58Å; F225-F276 HydrophobicContact CZ-CD1 3.58Å; F225-F276 HydrophobicContact CZ-CE1 4.19Å; F225-F276 HydrophobicContact CZ-CG 4.15Å; L248-F276 HydrophobicContact CD1-CB 4.42Å; E272-F276 WeakPolarHBondContact O-CD2 3.5Å; E272-F276 WeakPolarHBondContact O-CE2 3.32Å; R273-F276 PolarHBondContact O-N 2.9Å; Y274-F276 PolarHBondContact O-N 3.26Å; F276-Q280 WeakPolarHBondContact O-CB 3.41Å; F276-Q280 WeakPolarHBondContact O-CG 3.36Å; F276-Q280 PolarHBondContact O-N 3.01Å; F276-Q280 VanDerWaalsContact O-N 3.1Å; F276-Q280 PolarHBondContact O-NE2 2.8Å
277T98.9Very high98.7Very high1 Ų133.6 Ų33.61%0.00616%0.156CC..Hα-helixtrans-82.5-30.7178.2370000111.8L248 Y274 Q280 L281 L318 Y375L248-T277 HydrophobicContact CB-CG2 4.16Å; L248-T277 HydrophobicContact CD1-CG2 4.22Å; L248-T277 HydrophobicContact CD2-CG2 4.04Å; L248-T277 HydrophobicContact CG-CG2 4.37Å; Y274-T277 PolarHBondContact O-N 2.97Å; Y274-T277 PolarHBondContact O-OG1 3.32Å; T277-Q280 PolarHBondContact O-N 2.94Å; T277-L281 HydrophobicContact CG2-CD1 4.32Å; T277-L281 WeakPolarHBondContact O-CA 3.22Å; T277-L281 WeakPolarHBondContact O-CB 3.22Å; T277-L281 WeakPolarHBondContact O-CG 3.27Å; T277-L281 PolarHBondContact O-N 2.95Å; T277-L318 HydrophobicContact CG2-CD1 3.71Å; T277-L318 HydrophobicContact CG2-CG 4.02Å; T277-Y375 VanDerWaalsContact CB-OH 3.29Å; T277-Y375 WeakPolarHBondContact CB-OH 3.37Å; T277-Y375 PolarHBondContact OG1-OH 3.27Å
278D98.9Very high98.7Very high2 Ų231.2 Ų31.21%0.01114%0.144CC..Iπ-helixtrans-58.2-50168.5-75.3-25.6000109.6Y274 R282 G283 P286 Y288 R374 Y375Y274-D278 WeakPolarHBondContact O-CB 3.28Å; Y274-D278 PolarHBondContact O-N 3.38Å; D278-R282 VanDerWaalsContact O-CA 3.29Å; D278-R282 WeakPolarHBondContact O-CA 3.45Å; D278-R282 WeakPolarHBondContact O-CB 2.83Å; D278-R282 PolarHBondContact O-N 2.79Å; D278-R282 IonicContact OD1-CZ 2.77Å; D278-R282 VanDerWaalsContact OD1-CZ 3.32Å; D278-R282 IonicContact OD1-NE 3.8Å; D278-R282 IonicContact OD1-NH1 3.33Å; D278-R282 PolarHBondContact OD1-NH1 3.01Å; D278-R282 IonicContact OD2-NH1 2.75Å; D278-G283 PolarHBondContact O-N 3.4Å; D278-P286 HydrophobicContact CB-CB 4.47Å; D278-P286 HydrophobicContact CB-CG 4.12Å; D278-Y288 PolarHBondContact OD2-OH 3.23Å; D278-R374 IonicContact OD1-CZ 2.84Å; D278-R374 IonicContact OD1-NE 3.25Å; D278-R374 PolarHBondContact OD1-NE 3.2Å; D278-R374 VanDerWaalsContact OD1-NE 3.15Å; D278-R374 IonicContact OD1-NH2 3.97Å; D278-R374 PolarHBondContact OD1-NH2 3.2Å; D278-R374 IonicContact OD2-CZ 2.77Å; D278-R374 IonicContact OD2-NH2 2.69Å; D278-R374 PolarHBondContact OD2-NH2 3.4Å; D278-Y375 PolarHBondContact N-OH 2.84Å; D278-Y375 WeakPolarHBondContact OD1-CE1 3.34Å; D278-Y375 PolarHBondContact OD1-OH 2.84Å
279V98.9Very high98.8Very high3 Ų326.7 Ų26.72%0.01812%0.123CC..Iπ-helixtrans-65.8-48.5177.9175.70000111.6F225 V275 G283 Y285 L310F225-V279 HydrophobicContact CB-CG1 3.85Å; F225-V279 HydrophobicContact CD1-CB 4.17Å; F225-V279 HydrophobicContact CD1-CG1 3.76Å; F225-V279 HydrophobicContact CD2-CB 4.35Å; F225-V279 HydrophobicContact CD2-CG1 3.82Å; F225-V279 HydrophobicContact CD2-CG2 4.45Å; F225-V279 HydrophobicContact CE1-CB 4.14Å; F225-V279 HydrophobicContact CE1-CG1 4.23Å; F225-V279 HydrophobicContact CE2-CB 4.31Å; F225-V279 HydrophobicContact CE2-CG1 4.28Å; F225-V279 HydrophobicContact CE2-CG2 4.22Å; F225-V279 HydrophobicContact CG-CB 4.3Å; F225-V279 HydrophobicContact CG-CG1 3.55Å; F225-V279 HydrophobicContact CZ-CB 4.21Å; F225-V279 HydrophobicContact CZ-CG1 4.48Å; F225-V279 HydrophobicContact CZ-CG2 4.41Å; V275-V279 VanDerWaalsContact O-CG2 3.32Å; V275-V279 WeakPolarHBondContact O-CG2 3.45Å; V275-V279 PolarHBondContact O-N 2.55Å; V279-G283 WeakPolarHBondContact O-CA 3.43Å; V279-G283 PolarHBondContact O-N 3.22Å; V279-Y285 HydrophobicContact CG2-CD1 3.71Å; V279-Y285 HydrophobicContact CG2-CE1 3.97Å; V279-Y285 HydrophobicContact CG2-CG 4.31Å; V279-L310 HydrophobicContact CG1-CD1 4.26Å; V279-L310 HydrophobicContact CG1-CD2 4.25Å
280Q99Very high98.8Very high8 Ų829.7 Ų29.74%0.03714%0.138CC..Iπ-helixtrans-77.5-22-172.9-68.9-172.9101.600114.7F225 S228 C246 F276 T277 T314 C315F225-Q280 HydrophobicContact CD1-CG 3.72Å; F225-Q280 HydrophobicContact CE1-CG 3.98Å; S228-Q280 PolarHBondContact OG-OE1 3.33Å; C246-Q280 HydrophobicContact CB-CB 3.95Å; C246-Q280 HydrophobicContact CB-CG 4.42Å; F276-Q280 WeakPolarHBondContact O-CB 3.41Å; F276-Q280 WeakPolarHBondContact O-CG 3.36Å; F276-Q280 PolarHBondContact O-N 3.01Å; F276-Q280 VanDerWaalsContact O-N 3.1Å; F276-Q280 PolarHBondContact O-NE2 2.8Å; T277-Q280 PolarHBondContact O-N 2.94Å; Q280-T314 CarbonylContact O-C 3.2Å; Q280-T314 WeakPolarHBondContact O-CA 3.45Å; Q280-T314 WeakPolarHBondContact O-CB 3.33Å; Q280-C315 PolarHBondContact O-N 3.01Å
281L98.9Very high98.8Very high19 Ų1933.8 Ų33.810%0.09916%0.16CC..Iπ-helixtrans-110-28.6-179.8-58.2172.4000113.2T277 C315 L318 Y375T277-L281 HydrophobicContact CG2-CD1 4.32Å; T277-L281 WeakPolarHBondContact O-CA 3.22Å; T277-L281 WeakPolarHBondContact O-CB 3.22Å; T277-L281 WeakPolarHBondContact O-CG 3.27Å; T277-L281 PolarHBondContact O-N 2.95Å; L281-C315 HydrophobicContact CD2-CB 3.9Å; L281-L318 HydrophobicContact CD1-CB 3.93Å; L281-L318 HydrophobicContact CD1-CD1 3.69Å; L281-L318 HydrophobicContact CD1-CG 4.05Å; L281-Y375 HydrophobicContact CB-CD1 4.26Å; L281-Y375 HydrophobicContact CD1-CD1 4.16Å; L281-Y375 HydrophobicContact CD1-CD2 4Å; L281-Y375 HydrophobicContact CD1-CE2 4.42Å; L281-Y375 HydrophobicContact CD1-CG 3.86Å
282R98.9Very high98.8Very high90 Ų9032.6 Ų32.634%0.3416%0.157SC..Iπ-helixtrans-97.5-21.7175.7-50.6176.4162.1166.1-11.3112.6D278 Y284 R374 Y375D278-R282 VanDerWaalsContact O-CA 3.29Å; D278-R282 WeakPolarHBondContact O-CA 3.45Å; D278-R282 WeakPolarHBondContact O-CB 2.83Å; D278-R282 PolarHBondContact O-N 2.79Å; D278-R282 IonicContact OD1-CZ 2.77Å; D278-R282 VanDerWaalsContact OD1-CZ 3.32Å; D278-R282 IonicContact OD1-NE 3.8Å; D278-R282 IonicContact OD1-NH1 3.33Å; D278-R282 PolarHBondContact OD1-NH1 3.01Å; D278-R282 IonicContact OD2-NH1 2.75Å; R282-Y284 HydrophobicContact CB-CD1 4.17Å; R282-Y284 HydrophobicContact CB-CE1 3.67Å; R282-Y284 WeakPolarHBondContact O-CD1 3.46Å; R282-Y284 WeakPolarHBondContact O-CE1 3.16Å; R282-R374 PolarHBondContact NH2-O 2.97Å; R282-Y375 HydrophobicContact CG-CD1 4.4Å; R282-Y375 HydrophobicContact CG-CE1 4.38Å
283G98.9Very high98.8Very high0 Ų031.1 Ų31.10%015%0.149CC..SBendtrans8617.4169.500000115D278 V279 L310 R311D278-G283 PolarHBondContact O-N 3.4Å; V279-G283 WeakPolarHBondContact O-CA 3.43Å; V279-G283 PolarHBondContact O-N 3.22Å; G283-L310 CarbonylContact O-C 3.6Å; G283-R311 VanDerWaalsContact O-CA 3.28Å; G283-R311 WeakPolarHBondContact O-CA 3.41Å; G283-R311 PolarHBondContact O-N 3.25Å; G283-R311 VanDerWaalsContact O-N 3.11Å
284Y98.9Very high98.9Very high131 Ų13137.5 Ų37.551%0.51418%0.18SC..SBendtrans-154.3157.417859.5-90.3000111.7R282R282-Y284 HydrophobicContact CB-CD1 4.17Å; R282-Y284 HydrophobicContact CB-CE1 3.67Å; R282-Y284 WeakPolarHBondContact O-CD1 3.46Å; R282-Y284 WeakPolarHBondContact O-CE1 3.16Å
285Y98.9Very high98.9Very high15 Ų1544.7 Ų44.76%0.05921%0.207CC..  trans-69.1126.3173.3-70.6-76.7000110.9H222 F225 V279 V289 L290 W293 M302 L307 L310H222-Y285 WeakPolarHBondContact CA-OH 3.44Å; H222-Y285 WeakPolarHBondContact CB-OH 3.46Å; H222-Y285 AromaticContact ND1-CE2 3.96Å; H222-Y285 AromaticContact ND1-CZ 3.78Å; H222-Y285 PolarHBondContact ND1-OH 3.18Å; F225-Y285 HydrophobicContact CD2-CE1 4.04Å; F225-Y285 HydrophobicContact CE2-CE1 4.2Å; V279-Y285 HydrophobicContact CG2-CD1 3.71Å; V279-Y285 HydrophobicContact CG2-CE1 3.97Å; V279-Y285 HydrophobicContact CG2-CG 4.31Å; Y285-V289 HydrophobicContact CD1-CG1 4.13Å; Y285-L290 HydrophobicContact CG-CD2 4.3Å; Y285-W293 AromaticContact CD1-CH2 3.8Å; Y285-W293 HydrophobicContact CD1-CH2 3.8Å; Y285-W293 HydrophobicContact CD1-CZ2 4.25Å; Y285-W293 HydrophobicContact CD2-CH2 4.49Å; Y285-W293 AromaticContact CE1-CH2 3.63Å; Y285-W293 HydrophobicContact CE1-CH2 3.63Å; Y285-W293 HydrophobicContact CE1-CZ2 4.08Å; Y285-W293 HydrophobicContact CE2-CH2 4.34Å; Y285-W293 HydrophobicContact CG-CH2 4.23Å; Y285-W293 AromaticContact CZ-CH2 3.92Å; Y285-M302 HydrophobicContact CD2-CE 4.11Å; Y285-M302 HydrophobicContact CE2-CE 3.59Å; Y285-M302 HydrophobicContact CE2-SD 4.43Å; Y285-L307 HydrophobicContact CD2-CD2 3.97Å; Y285-L307 HydrophobicContact CE2-CD2 4.08Å; Y285-L310 HydrophobicContact CD2-CD1 4.12Å; Y285-L310 HydrophobicContact CE2-CD1 3.51Å
286P98.9Very high98.8Very high9 Ų949.8 Ų49.86%0.05823%0.226CC..  trans-68.4150.8177.827.5-33.4000111.4V275 D278 Y288 V289 L290V275-P286 HydrophobicContact CG2-CG 3.9Å; D278-P286 HydrophobicContact CB-CB 4.47Å; D278-P286 HydrophobicContact CB-CG 4.12Å; P286-Y288 HydrophobicContact CB-CD1 3.82Å; P286-Y288 HydrophobicContact CB-CE1 3.36Å; P286-Y288 HydrophobicContact CB-CE2 4.32Å; P286-Y288 HydrophobicContact CB-CG 4.47Å; P286-Y288 HydrophobicContact CG-CD1 4.28Å; P286-Y288 HydrophobicContact CG-CD2 4.38Å; P286-Y288 HydrophobicContact CG-CE1 3.61Å; P286-Y288 HydrophobicContact CG-CE2 3.71Å; P286-Y288 WeakPolarHBondContact CG-OH 3.02Å; P286-Y288 PolarHBondContact O-N 3.44Å; P286-Y288 VanDerWaalsContact O-N 3.14Å; P286-V289 HydrophobicContact CG-CG1 3.94Å; P286-V289 WeakPolarHBondContact O-CG1 3.25Å; P286-V289 PolarHBondContact O-N 2.9Å; P286-V289 VanDerWaalsContact O-N 3.16Å; P286-L290 PolarHBondContact O-N 2.71Å
287S98.9Very high98.8Very high83 Ų8352.9 Ų52.958%0.5826%0.257SS*.Hα-helixtrans-57.4-34.2-175.153.50000114V289 L290 N291S287-V289 VanDerWaalsContact C-N 3.34Å; S287-V289 PolarHBondContact O-N 3.33Å; S287-L290 PolarHBondContact O-N 3.21Å; S287-N291 WeakPolarHBondContact O-CB 3.19Å; S287-N291 VanDerWaalsContact O-CG 3.31Å; S287-N291 PolarHBondContact O-N 3.5Å; S287-N291 PolarHBondContact O-OD1 3.15Å
288Y98.8Very high98.8Very high39 Ų3953.6 Ų53.615%0.15326%0.26CS..Hα-helixtrans-65.7-33.6-178.559.8-104.3000113.3R271 V275 D278 P286 E292R271-Y288 HydrophobicContact CB-CD2 4.11Å; R271-Y288 HydrophobicContact CB-CE2 3.66Å; R271-Y288 HydrophobicContact CG-CD2 4.32Å; R271-Y288 HydrophobicContact CG-CE1 4.38Å; R271-Y288 HydrophobicContact CG-CE2 4.13Å; V275-Y288 VanDerWaalsContact CA-OH 3.23Å; V275-Y288 WeakPolarHBondContact CA-OH 3.43Å; V275-Y288 HydrophobicContact CB-CE2 4.04Å; V275-Y288 HydrophobicContact CG2-CE2 4.27Å; V275-Y288 PolarHBondContact N-OH 3.01Å; D278-Y288 PolarHBondContact OD2-OH 3.23Å; P286-Y288 HydrophobicContact CB-CD1 3.82Å; P286-Y288 HydrophobicContact CB-CE1 3.36Å; P286-Y288 HydrophobicContact CB-CE2 4.32Å; P286-Y288 HydrophobicContact CB-CG 4.47Å; P286-Y288 HydrophobicContact CG-CD1 4.28Å; P286-Y288 HydrophobicContact CG-CD2 4.38Å; P286-Y288 HydrophobicContact CG-CE1 3.61Å; P286-Y288 HydrophobicContact CG-CE2 3.71Å; P286-Y288 WeakPolarHBondContact CG-OH 3.02Å; P286-Y288 PolarHBondContact O-N 3.44Å; P286-Y288 VanDerWaalsContact O-N 3.14Å; Y288-E292 PolarHBondContact O-N 2.71Å
289V98.8Very high98.8Very high1 Ų159.7 Ų59.71%0.00629%0.293CS..Hα-helixtrans-79.8-34.8178.576.20000111.1Y218 V275 Y285 P286 S287 N291 E292 W293Y218-V289 HydrophobicContact CE1-CG2 3.69Å; V275-V289 HydrophobicContact CG2-CB 3.97Å; V275-V289 HydrophobicContact CG2-CG1 3.89Å; V275-V289 HydrophobicContact CG2-CG2 4.14Å; Y285-V289 HydrophobicContact CD1-CG1 4.13Å; P286-V289 HydrophobicContact CG-CG1 3.94Å; P286-V289 WeakPolarHBondContact O-CG1 3.25Å; P286-V289 PolarHBondContact O-N 2.9Å; P286-V289 VanDerWaalsContact O-N 3.16Å; S287-V289 VanDerWaalsContact C-N 3.34Å; S287-V289 PolarHBondContact O-N 3.33Å; V289-N291 VanDerWaalsContact C-N 3.34Å; V289-N291 PolarHBondContact O-N 3.18Å; V289-E292 WeakPolarHBondContact O-CB 3.46Å; V289-E292 PolarHBondContact O-N 3.28Å; V289-E292 VanDerWaalsContact O-N 3.11Å; V289-W293 HydrophobicContact CG2-CZ2 4.43Å; V289-W293 PolarHBondContact O-N 3.45Å
290L98.8Very high98.8Very high70 Ų7060.2 Ų60.237%0.36630%0.295SS..Hα-helixtrans-61.9-45.2171.8-62-179.5000110.6Y285 P286 S287 E292 W293 E294Y285-L290 HydrophobicContact CG-CD2 4.3Å; P286-L290 PolarHBondContact O-N 2.71Å; S287-L290 PolarHBondContact O-N 3.21Å; L290-E292 PolarHBondContact O-N 2.7Å; L290-W293 HydrophobicContact CD2-CE3 3.82Å; L290-W293 HydrophobicContact CD2-CZ3 3.76Å; L290-W293 PolarHBondContact O-N 3.02Å; L290-E294 WeakPolarHBondContact O-CG 3.47Å; L290-E294 PolarHBondContact O-N 3.49Å; L290-E294 VanDerWaalsContact O-N 3.08Å
291N98.8Very high98.8Very high93 Ų9366.2 Ų66.250%0.49732%0.321SS..Hα-helixtrans-64.4-29.6174.5-70.53.1000112.4S287 V289 R295S287-N291 WeakPolarHBondContact O-CB 3.19Å; S287-N291 VanDerWaalsContact O-CG 3.31Å; S287-N291 PolarHBondContact O-N 3.5Å; S287-N291 PolarHBondContact O-OD1 3.15Å; V289-N291 VanDerWaalsContact C-N 3.34Å; V289-N291 PolarHBondContact O-N 3.18Å; N291-R295 WeakPolarHBondContact O-CB 3.47Å; N291-R295 VanDerWaalsContact O-CG 3.3Å; N291-R295 WeakPolarHBondContact O-CG 3.41Å; N291-R295 PolarHBondContact O-N 2.78Å; N291-R295 PolarHBondContact O-NH1 3.35Å
292E98.7Very high98.8Very high36 Ų3668.2 Ų68.217%0.16833%0.331CS..Hα-helixtrans-66.5-46.8173.1-175.7-174.6142.100111.1R191 Y218 Y288 V289 L290 E294 R295 R296R191-E292 IonicContact NH2-OE1 3.43Å; Y218-E292 WeakPolarHBondContact CE2-OE1 3.3Å; Y218-E292 VanDerWaalsContact OH-CD 3.26Å; Y218-E292 PolarHBondContact OH-OE1 3.35Å; Y218-E292 PolarHBondContact OH-OE2 2.93Å; Y288-E292 PolarHBondContact O-N 2.71Å; V289-E292 WeakPolarHBondContact O-CB 3.46Å; V289-E292 PolarHBondContact O-N 3.28Å; V289-E292 VanDerWaalsContact O-N 3.11Å; L290-E292 PolarHBondContact O-N 2.7Å; E292-E294 VanDerWaalsContact C-N 3.31Å; E292-E294 PolarHBondContact O-N 3.09Å; E292-R295 PolarHBondContact O-N 3.2Å; E292-R295 VanDerWaalsContact O-N 3.16Å; E292-R296 HydrophobicContact CG-CG 4.29Å; E292-R296 WeakPolarHBondContact O-CB 3.15Å; E292-R296 VanDerWaalsContact O-CG 3.25Å; E292-R296 WeakPolarHBondContact O-CG 3.42Å; E292-R296 PolarHBondContact O-N 3.25Å
293W98.8Very high98.8Very high16 Ų1668.2 Ų68.26%0.06134%0.335CS..Hα-helixtrans-57.7-44.5176.6-63.8-8.6000111.7Y218 Y285 V289 L290 R296 G297 F298 I300 M302Y218-W293 AromaticContact CD1-CE2 3.83Å; Y218-W293 AromaticContact CD1-CZ2 3.8Å; Y218-W293 HydrophobicContact CD1-CZ2 3.8Å; Y218-W293 AromaticContact CD1-NE1 3.26Å; Y218-W293 VanDerWaalsContact CD1-NE1 3.26Å; Y218-W293 AromaticContact CD2-CD1 3.83Å; Y218-W293 AromaticContact CD2-NE1 3.32Å; Y218-W293 VanDerWaalsContact CD2-NE1 3.32Å; Y218-W293 HydrophobicContact CE1-CZ2 4.47Å; Y218-W293 AromaticContact CE1-NE1 3.49Å; Y218-W293 AromaticContact CE2-CD1 3.89Å; Y218-W293 AromaticContact CE2-NE1 3.53Å; Y218-W293 AromaticContact CG-CE2 3.88Å; Y218-W293 HydrophobicContact CG-CZ2 4.12Å; Y218-W293 AromaticContact CG-NE1 3.18Å; Y218-W293 AromaticContact CZ-NE1 3.62Å; Y285-W293 AromaticContact CD1-CH2 3.8Å; Y285-W293 HydrophobicContact CD1-CH2 3.8Å; Y285-W293 HydrophobicContact CD1-CZ2 4.25Å; Y285-W293 HydrophobicContact CD2-CH2 4.49Å; Y285-W293 AromaticContact CE1-CH2 3.63Å; Y285-W293 HydrophobicContact CE1-CH2 3.63Å; Y285-W293 HydrophobicContact CE1-CZ2 4.08Å; Y285-W293 HydrophobicContact CE2-CH2 4.34Å; Y285-W293 HydrophobicContact CG-CH2 4.23Å; Y285-W293 AromaticContact CZ-CH2 3.92Å; V289-W293 HydrophobicContact CG2-CZ2 4.43Å; V289-W293 PolarHBondContact O-N 3.45Å; L290-W293 HydrophobicContact CD2-CE3 3.82Å; L290-W293 HydrophobicContact CD2-CZ3 3.76Å; L290-W293 PolarHBondContact O-N 3.02Å; W293-R296 CarbonylContact O-C 3.46Å; W293-R296 PolarHBondContact O-N 2.96Å; W293-G297 PolarHBondContact O-N 2.85Å; W293-F298 HydrophobicContact CB-CB 4.21Å; W293-F298 AromaticContact CD1-CD2 3.91Å; W293-F298 HydrophobicContact CG-CB 4.45Å; W293-F298 PolarHBondContact O-N 3.02Å; W293-I300 HydrophobicContact CD2-CD1 3.95Å; W293-I300 HydrophobicContact CD2-CG1 4.21Å; W293-I300 HydrophobicContact CE3-CB 4.36Å; W293-I300 HydrophobicContact CE3-CD1 4.28Å; W293-I300 HydrophobicContact CE3-CG1 4.25Å; W293-I300 HydrophobicContact CG-CD1 4.23Å; W293-I300 HydrophobicContact CH2-CB 4.2Å; W293-I300 HydrophobicContact CH2-CG1 4.01Å; W293-I300 HydrophobicContact CH2-CG2 4.21Å; W293-I300 HydrophobicContact CZ2-CD1 4.47Å; W293-I300 HydrophobicContact CZ2-CG1 3.96Å; W293-I300 HydrophobicContact CZ3-CB 4.05Å; W293-I300 HydrophobicContact CZ3-CG1 4.16Å; W293-I300 HydrophobicContact CZ3-CG2 4.38Å; W293-M302 HydrophobicContact CH2-CE 4.01Å; W293-M302 HydrophobicContact CZ3-CE 3.72Å
294E98.7Very high98.8Very high154 Ų15476.6 Ų76.672%0.7238%0.38SS*.Hα-helixtrans-60.6-47.1174.4-66.2-60.4134.400112.2L290 E292 R296 G297L290-E294 WeakPolarHBondContact O-CG 3.47Å; L290-E294 PolarHBondContact O-N 3.49Å; L290-E294 VanDerWaalsContact O-N 3.08Å; E292-E294 VanDerWaalsContact C-N 3.31Å; E292-E294 PolarHBondContact O-N 3.09Å; E294-R296 PolarHBondContact O-N 2.95Å; E294-G297 PolarHBondContact O-N 2.82Å
295R98.7Very high98.7Very high160 Ų16072.4 Ų72.460%0.60438%0.376SS*.Hα-helixtrans-60.6-32.8177.6-77.2-169.9-53.6-81.36.3112.6N291 E292N291-R295 WeakPolarHBondContact O-CB 3.47Å; N291-R295 VanDerWaalsContact O-CG 3.3Å; N291-R295 WeakPolarHBondContact O-CG 3.41Å; N291-R295 PolarHBondContact O-N 2.78Å; N291-R295 PolarHBondContact O-NH1 3.35Å; E292-R295 PolarHBondContact O-N 3.2Å; E292-R295 VanDerWaalsContact O-N 3.16Å
296R98.4Very high98.7Very high116 Ų11672 Ų7244%0.43837%0.374SS..Hα-helixtrans-92.6-8-177.9-61.5-61-62.2-79.5-1.1113.3E214 E292 W293 E294 F298E214-R296 VanDerWaalsContact CD-NH1 3.28Å; E214-R296 IonicContact OE1-CZ 3.38Å; E214-R296 IonicContact OE1-NH1 3.72Å; E214-R296 PolarHBondContact OE1-NH1 3.07Å; E214-R296 IonicContact OE1-NH2 2.69Å; E214-R296 IonicContact OE2-CZ 3.18Å; E214-R296 IonicContact OE2-NH1 2.8Å; E214-R296 PolarHBondContact OE2-NH1 3.17Å; E214-R296 IonicContact OE2-NH2 4Å; E214-R296 PolarHBondContact OE2-NH2 2.88Å; E292-R296 HydrophobicContact CG-CG 4.29Å; E292-R296 WeakPolarHBondContact O-CB 3.15Å; E292-R296 VanDerWaalsContact O-CG 3.25Å; E292-R296 WeakPolarHBondContact O-CG 3.42Å; E292-R296 PolarHBondContact O-N 3.25Å; W293-R296 CarbonylContact O-C 3.46Å; W293-R296 PolarHBondContact O-N 2.96Å; E294-R296 PolarHBondContact O-N 2.95Å; R296-F298 HydrophobicContact CB-CD1 3.81Å; R296-F298 HydrophobicContact CB-CD2 3.82Å; R296-F298 HydrophobicContact CB-CE1 3.68Å; R296-F298 HydrophobicContact CB-CE2 3.67Å; R296-F298 HydrophobicContact CB-CG 3.88Å; R296-F298 HydrophobicContact CB-CZ 3.59Å; R296-F298 HydrophobicContact CG-CD2 4.46Å; R296-F298 HydrophobicContact CG-CE2 3.97Å; R296-F298 HydrophobicContact CG-CZ 4.02Å; R296-F298 PolarHBondContact O-N 3.23Å
297G98.6Very high98.7Very high64 Ų6475.9 Ų75.966%0.6640%0.395SS*.THydrogen-bonded Turntrans6527.7-174.600000113.3W293 E294W293-G297 PolarHBondContact O-N 2.85Å; E294-G297 PolarHBondContact O-N 2.82Å
298F98.7Very high98.7Very high16 Ų1675 Ų757%0.0738%0.383CS..  trans-76.5141.6177.3-62-22.5000111.1E214 E215 Y218 W293 R296 I300E214-F298 HydrophobicContact CB-CE1 4.44Å; E214-F298 HydrophobicContact CB-CE2 3.83Å; E214-F298 HydrophobicContact CB-CZ 3.47Å; E214-F298 VanDerWaalsContact CB-CZ 3.47Å; E215-F298 HydrophobicContact CB-CB 4.46Å; E215-F298 HydrophobicContact CB-CD1 3.71Å; E215-F298 HydrophobicContact CB-CE1 4.03Å; E215-F298 HydrophobicContact CB-CG 4.03Å; E215-F298 HydrophobicContact CG-CB 4.23Å; E215-F298 HydrophobicContact CG-CD1 4.26Å; E215-F298 HydrophobicContact CG-CG 4.34Å; E215-F298 WeakPolarHBondContact OE1-CA 3.15Å; Y218-F298 AromaticContact CD2-CD2 3.8Å; Y218-F298 HydrophobicContact CD2-CD2 3.8Å; Y218-F298 AromaticContact CD2-CE2 3.85Å; Y218-F298 HydrophobicContact CD2-CE2 3.85Å; Y218-F298 HydrophobicContact CE2-CD2 4.17Å; Y218-F298 AromaticContact CE2-CE2 3.94Å; Y218-F298 HydrophobicContact CE2-CE2 3.94Å; W293-F298 HydrophobicContact CB-CB 4.21Å; W293-F298 AromaticContact CD1-CD2 3.91Å; W293-F298 HydrophobicContact CG-CB 4.45Å; W293-F298 PolarHBondContact O-N 3.02Å; R296-F298 HydrophobicContact CB-CD1 3.81Å; R296-F298 HydrophobicContact CB-CD2 3.82Å; R296-F298 HydrophobicContact CB-CE1 3.68Å; R296-F298 HydrophobicContact CB-CE2 3.67Å; R296-F298 HydrophobicContact CB-CG 3.88Å; R296-F298 HydrophobicContact CB-CZ 3.59Å; R296-F298 HydrophobicContact CG-CD2 4.46Å; R296-F298 HydrophobicContact CG-CE2 3.97Å; R296-F298 HydrophobicContact CG-CZ 4.02Å; R296-F298 PolarHBondContact O-N 3.23Å; F298-I300 HydrophobicContact CB-CD1 3.63Å
299N98.7Very high98.8Very high130 Ų13074.1 Ų74.170%0.69538%0.382SS*.  trans-122.589177.6-177.824.7000110.5E215 K301E215-N299 PolarHBondContact OE1-N 3.3Å; N299-K301 PolarHBondContact O-N 3.23Å
300I98.8Very high98.8Very high15 Ų1574.3 Ų74.38%0.07738%0.383CS..  trans-78.2114.4-179.8-74.653.5000108.4E215 H222 W293 F298 M302E215-I300 HydrophobicContact CG-CD1 4.5Å; H222-I300 HydrophobicContact CB-CG2 3.76Å; W293-I300 HydrophobicContact CD2-CD1 3.95Å; W293-I300 HydrophobicContact CD2-CG1 4.21Å; W293-I300 HydrophobicContact CE3-CB 4.36Å; W293-I300 HydrophobicContact CE3-CD1 4.28Å; W293-I300 HydrophobicContact CE3-CG1 4.25Å; W293-I300 HydrophobicContact CG-CD1 4.23Å; W293-I300 HydrophobicContact CH2-CB 4.2Å; W293-I300 HydrophobicContact CH2-CG1 4.01Å; W293-I300 HydrophobicContact CH2-CG2 4.21Å; W293-I300 HydrophobicContact CZ2-CD1 4.47Å; W293-I300 HydrophobicContact CZ2-CG1 3.96Å; W293-I300 HydrophobicContact CZ3-CB 4.05Å; W293-I300 HydrophobicContact CZ3-CG1 4.16Å; W293-I300 HydrophobicContact CZ3-CG2 4.38Å; F298-I300 HydrophobicContact CB-CD1 3.63Å; I300-M302 HydrophobicContact CG2-CE 3.91Å; I300-M302 HydrophobicContact CG2-CG 4.27Å; I300-M302 PolarHBondContact O-N 3.44Å
301K98.9Very high98.8Very high133 Ų13377.1 Ų77.158%0.57839%0.389SS*.  trans-71.8115.1178.3-176.8169.1-179.3-750110.1Q219 H222 N299Q219-K301 PolarHBondContact NE2-O 3.49Å; H222-K301 PolarHBondContact CD2-O 2.91Å; N299-K301 PolarHBondContact O-N 3.23Å
302M98.9Very high98.8Very high62 Ų6277.6 Ų77.631%0.30539%0.386SS..  trans-110.8157.3171.6-50.1-167.417900110.1H222 Y285 W293 I300 D306 L307H222-M302 VanDerWaalsContact CE1-CG 3.43Å; H222-M302 WeakPolarHBondContact CE1-CG 3.11Å; H222-M302 WeakPolarHBondContact NE2-CG 3.1Å; Y285-M302 HydrophobicContact CD2-CE 4.11Å; Y285-M302 HydrophobicContact CE2-CE 3.59Å; Y285-M302 HydrophobicContact CE2-SD 4.43Å; W293-M302 HydrophobicContact CH2-CE 4.01Å; W293-M302 HydrophobicContact CZ3-CE 3.72Å; I300-M302 HydrophobicContact CG2-CE 3.91Å; I300-M302 HydrophobicContact CG2-CG 4.27Å; I300-M302 PolarHBondContact O-N 3.44Å; M302-D306 HydrophobicContact CB-CB 4.4Å; M302-L307 HydrophobicContact CE-CD2 4.46Å; M302-L307 HydrophobicContact SD-CD2 3.73Å; M302-L307 HydrophobicContact SD-CG 4.29Å
303E98.8Very high98.8Very high90 Ų9076.1 Ų76.142%0.42138%0.38SS..  trans-98.7156.1167-66.5179.5162.600110.7R157 G305 D306R157-E303 IonicContact CZ-OE2 3.59Å; R157-E303 IonicContact NE-OE1 3.68Å; R157-E303 IonicContact NE-OE2 3.51Å; R157-E303 PolarHBondContact NE-OE2 3.5Å; R157-E303 VanDerWaalsContact NE-OE2 3.08Å; R157-E303 IonicContact NH2-OE2 2.7Å; R157-E303 PolarHBondContact NH2-OE2 3.16Å; E303-G305 PolarHBondContact O-N 2.72Å; E303-D306 PolarHBondContact N-OD2 3.42Å; E303-D306 WeakPolarHBondContact O-CB 3.4Å; E303-D306 PolarHBondContact O-N 2.53Å; E303-D306 VanDerWaalsContact O-N 3.07Å
304D98.7Very high98.8Very high176 Ų17677.1 Ų77.194%0.94139%0.389SS*.THydrogen-bonded Turntrans-56.3126176.8-75.2-31.7000110.5
305G98.6Very high98.8Very high42 Ų4270 Ų7043%0.43336%0.356SS..THydrogen-bonded Turntrans92.9-4.1-17900000115.4E303 L307 D308 V309E303-G305 PolarHBondContact O-N 2.72Å; G305-L307 PolarHBondContact O-N 2.92Å; G305-D308 WeakPolarHBondContact O-CA 3.19Å; G305-D308 VanDerWaalsContact O-CB 3.22Å; G305-D308 WeakPolarHBondContact O-CB 3.44Å; G305-D308 PolarHBondContact O-N 2.96Å; G305-V309 WeakPolarHBondContact O-CG2 3.4Å; G305-V309 PolarHBondContact O-N 2.78Å
306D98.9Very high98.8Very high6 Ų664.9 Ų64.93%0.03234%0.34CS..Hα-helixtrans-59.6-43.8178.9-81-16000112.8R157 H222 V226 M302 E303 D308 V309 L310R157-D306 IonicContact CZ-OD1 3.6Å; R157-D306 IonicContact CZ-OD2 2.82Å; R157-D306 IonicContact NH1-OD1 3.58Å; R157-D306 PolarHBondContact NH1-OD1 2.8Å; R157-D306 IonicContact NH1-OD2 2.84Å; R157-D306 PolarHBondContact NH1-OD2 3.19Å; R157-D306 IonicContact NH2-OD1 3.94Å; R157-D306 PolarHBondContact NH2-OD1 2.84Å; R157-D306 IonicContact NH2-OD2 3.02Å; R157-D306 PolarHBondContact NH2-OD2 2.89Å; H222-D306 IonicContact CE1-OD2 3.87Å; H222-D306 IonicContact NE2-OD2 3.15Å; H222-D306 PolarHBondContact NE2-OD2 3.41Å; V226-D306 HydrophobicContact CG2-CB 3.96Å; M302-D306 HydrophobicContact CB-CB 4.4Å; E303-D306 PolarHBondContact N-OD2 3.42Å; E303-D306 WeakPolarHBondContact O-CB 3.4Å; E303-D306 PolarHBondContact O-N 2.53Å; E303-D306 VanDerWaalsContact O-N 3.07Å; D306-D308 PolarHBondContact O-N 3.39Å; D306-V309 WeakPolarHBondContact O-CA 3.46Å; D306-V309 WeakPolarHBondContact O-CB 3.42Å; D306-V309 PolarHBondContact O-N 3.5Å; D306-L310 WeakPolarHBondContact O-CG 3.37Å; D306-L310 PolarHBondContact O-N 2.93Å
307L98.9Very high98.8Very high92 Ų9259.4 Ų59.448%0.48232%0.319SS..Hα-helixtrans-63-30.3176.9-59.1-175.8000112.7Y285 M302 G305 L310 R311Y285-L307 HydrophobicContact CD2-CD2 3.97Å; Y285-L307 HydrophobicContact CE2-CD2 4.08Å; M302-L307 HydrophobicContact CE-CD2 4.46Å; M302-L307 HydrophobicContact SD-CD2 3.73Å; M302-L307 HydrophobicContact SD-CG 4.29Å; G305-L307 PolarHBondContact O-N 2.92Å; L307-L310 HydrophobicContact CD2-CD1 4.28Å; L307-R311 PolarHBondContact O-N 2.77Å; L307-R311 PolarHBondContact O-NH1 2.86Å; L307-R311 VanDerWaalsContact O-NH1 3.16Å
308D98.9Very high98.8Very high63 Ų6356.3 Ų56.334%0.33729%0.288SS..Hα-helixtrans-71.7-40173.5-98.429000111.8G305 D306 R311 K312G305-D308 WeakPolarHBondContact O-CA 3.19Å; G305-D308 VanDerWaalsContact O-CB 3.22Å; G305-D308 WeakPolarHBondContact O-CB 3.44Å; G305-D308 PolarHBondContact O-N 2.96Å; D306-D308 PolarHBondContact O-N 3.39Å; D308-R311 PolarHBondContact O-N 3.33Å; D308-R311 IonicContact OD1-CZ 3.8Å; D308-R311 IonicContact OD1-NH1 3.72Å; D308-R311 PolarHBondContact OD1-NH1 3.02Å; D308-R311 IonicContact OD1-NH2 2.97Å; D308-R311 PolarHBondContact OD1-NH2 3.38Å; D308-R311 IonicContact OD2-NH2 2.79Å; D308-K312 WeakPolarHBondContact O-CB 3.4Å; D308-K312 WeakPolarHBondContact O-CD 3.32Å; D308-K312 WeakPolarHBondContact O-CG 3.17Å; D308-K312 PolarHBondContact O-N 3.36Å; D308-K312 IonicContact OD2-NZ 2.69Å; D308-K312 PolarHBondContact OD2-NZ 2.78Å
309V98.9Very high98.9Very high22 Ų2255.6 Ų55.613%0.13329%0.285CS..Hα-helixtrans-60.6-50.3174.6167.40000110V226 A229 L230 G305 D306 R311 K312 G313V226-V309 HydrophobicContact CG1-CG1 4.18Å; A229-V309 HydrophobicContact CB-CG1 3.85Å; L230-V309 HydrophobicContact CD2-CG1 3.64Å; L230-V309 HydrophobicContact CD2-CG2 4.1Å; L230-V309 HydrophobicContact CG-CG1 3.71Å; G305-V309 WeakPolarHBondContact O-CG2 3.4Å; G305-V309 PolarHBondContact O-N 2.78Å; D306-V309 WeakPolarHBondContact O-CA 3.46Å; D306-V309 WeakPolarHBondContact O-CB 3.42Å; D306-V309 PolarHBondContact O-N 3.5Å; V309-R311 VanDerWaalsContact C-N 3.3Å; V309-R311 PolarHBondContact O-N 3.16Å; V309-K312 PolarHBondContact O-N 2.9Å; V309-K312 VanDerWaalsContact O-N 3.14Å; V309-G313 PolarHBondContact O-N 3.09Å
310L98.9Very high98.9Very high4 Ų449.4 Ų49.42%0.02125%0.252CS..Hα-helixtrans-53.3-47.6177.4-65.5-178.6000111.8F225 V226 A229 V279 G283 Y285 D306 L307 K312 G313F225-L310 VanDerWaalsContact C-CD2 3.46Å; F225-L310 HydrophobicContact CB-CD2 3.65Å; F225-L310 WeakPolarHBondContact O-CD2 3.41Å; V226-L310 HydrophobicContact CG2-CD2 4.1Å; V226-L310 HydrophobicContact CG2-CG 4.48Å; A229-L310 HydrophobicContact CB-CD2 4.28Å; V279-L310 HydrophobicContact CG1-CD1 4.26Å; V279-L310 HydrophobicContact CG1-CD2 4.25Å; G283-L310 CarbonylContact O-C 3.6Å; Y285-L310 HydrophobicContact CD2-CD1 4.12Å; Y285-L310 HydrophobicContact CE2-CD1 3.51Å; D306-L310 WeakPolarHBondContact O-CG 3.37Å; D306-L310 PolarHBondContact O-N 2.93Å; L307-L310 HydrophobicContact CD2-CD1 4.28Å; L310-K312 PolarHBondContact O-N 3.04Å; L310-G313 PolarHBondContact O-N 3.15Å
311R98.9Very high98.9Very high129 Ų12948.8 Ų48.849%0.48725%0.249SC..Hα-helixtrans-67.8-33.2-179-170.7167.663.8-94.13.5113.8G283 L307 D308 V309G283-R311 VanDerWaalsContact O-CA 3.28Å; G283-R311 WeakPolarHBondContact O-CA 3.41Å; G283-R311 PolarHBondContact O-N 3.25Å; G283-R311 VanDerWaalsContact O-N 3.11Å; L307-R311 PolarHBondContact O-N 2.77Å; L307-R311 PolarHBondContact O-NH1 2.86Å; L307-R311 VanDerWaalsContact O-NH1 3.16Å; D308-R311 PolarHBondContact O-N 3.33Å; D308-R311 IonicContact OD1-CZ 3.8Å; D308-R311 IonicContact OD1-NH1 3.72Å; D308-R311 PolarHBondContact OD1-NH1 3.02Å; D308-R311 IonicContact OD1-NH2 2.97Å; D308-R311 PolarHBondContact OD1-NH2 3.38Å; D308-R311 IonicContact OD2-NH2 2.79Å; V309-R311 VanDerWaalsContact C-N 3.3Å; V309-R311 PolarHBondContact O-N 3.16Å
312K98.8Very high98.9Very high104 Ų10442.5 Ų42.545%0.45222%0.221SC..Hα-helixtrans-86-13.3-178.1-69.4164.9-174.9159.30113K233 R236 D308 V309 L310K233-K312 HydrophobicContact CD-CB 4.12Å; R236-K312 PolarHBondContact NH1-O 3.24Å; D308-K312 WeakPolarHBondContact O-CB 3.4Å; D308-K312 WeakPolarHBondContact O-CD 3.32Å; D308-K312 WeakPolarHBondContact O-CG 3.17Å; D308-K312 PolarHBondContact O-N 3.36Å; D308-K312 IonicContact OD2-NZ 2.69Å; D308-K312 PolarHBondContact OD2-NZ 2.78Å; V309-K312 PolarHBondContact O-N 2.9Å; V309-K312 VanDerWaalsContact O-N 3.14Å; L310-K312 PolarHBondContact O-N 3.04Å
313G98.9Very high98.8Very high4 Ų440.5 Ų40.54%0.04121%0.211CC..  trans-120.333.1-173.900000114A229 V232 V309 L310A229-G313 WeakPolarHBondContact CA-O 3.35Å; A229-G313 WeakPolarHBondContact O-CA 3.42Å; V232-G313 WeakPolarHBondContact CB-O 3.47Å; V309-G313 PolarHBondContact O-N 3.09Å; L310-G313 PolarHBondContact O-N 3.15Å
314T98.9Very high98.8Very high38 Ų3836.9 Ų36.923%0.23319%0.194CC..  trans-65.9141.9173.352.10000111.7V232 Q280V232-T314 WeakPolarHBondContact CG1-O 3.47Å; Q280-T314 CarbonylContact O-C 3.2Å; Q280-T314 WeakPolarHBondContact O-CA 3.45Å; Q280-T314 WeakPolarHBondContact O-CB 3.33Å
315C98.9Very high98.8Very high4 Ų428.5 Ų28.53%0.02715%0.149CC..  trans-66.7153.8179.8-61.30000112.2V244 C246 Q280 L281V244-C315 CarbonylContact O-C 3.47Å; V244-C315 VanDerWaalsContact O-CA 3.23Å; V244-C315 WeakPolarHBondContact O-CA 3.4Å; V244-C315 VanDerWaalsContact O-CB 3.25Å; V244-C315 WeakPolarHBondContact O-CB 3.29Å; C246-C315 HydrophobicContact CB-CB 4.31Å; Q280-C315 PolarHBondContact O-N 3.01Å; L281-C315 HydrophobicContact CD2-CB 3.9Å
316D98.9Very high98.7Very high52 Ų5226.7 Ų26.728%0.27813%0.129SC..SBendtrans-77.7-33.1-177.8-63.6-69.6000113.3K243 V244K243-D316 HydrophobicContact CB-CB 4.41Å; V244-D316 PolarHBondContact N-OD2 3.27Å; V244-D316 PolarHBondContact O-N 3.28Å
317Y98.9Very high98.6Very high1 Ų126.6 Ų26.60%0.00413%0.129CC..SBendtrans-146.2166.5-176.571.2-89.8000111.8W181 M182 K243 G245 C246 P378 F380 M426W181-Y317 PolarHBondContact O-OH 3Å; M182-Y317 HydrophobicContact CG-CE2 4.23Å; K243-Y317 HydrophobicContact CB-CD1 4.06Å; K243-Y317 HydrophobicContact CB-CE1 3.97Å; G245-Y317 WeakPolarHBondContact CA-O 3.34Å; C246-Y317 PolarHBondContact N-O 3.08Å; C246-Y317 VanDerWaalsContact N-O 3.16Å; Y317-P378 WeakPolarHBondContact CA-O 3.42Å; Y317-P378 WeakPolarHBondContact CB-O 3.03Å; Y317-F380 HydrophobicContact CD2-CB 4.02Å; Y317-F380 HydrophobicContact CE2-CB 4.04Å; Y317-F380 AromaticContact CE2-CD2 3.96Å; Y317-F380 HydrophobicContact CE2-CD2 3.96Å; Y317-F380 HydrophobicContact CE2-CG 4.5Å; Y317-M426 HydrophobicContact CD1-CE 4.29Å; Y317-M426 HydrophobicContact CD1-SD 4.19Å; Y317-M426 HydrophobicContact CD2-SD 3.86Å; Y317-M426 HydrophobicContact CE1-CE 4.46Å; Y317-M426 HydrophobicContact CG-CE 4.3Å; Y317-M426 HydrophobicContact CG-SD 3.65Å
318L99Very high98.6Very high0 Ų022.2 Ų22.20%011%0.106CC..EExtended strand (participates in β ladder)trans-108.8100.2177.2-168.9169000109.5L248 T277 L281 F320 L371 Y375 P378 L379 F380L248-L318 HydrophobicContact CB-CD2 4.49Å; T277-L318 HydrophobicContact CG2-CD1 3.71Å; T277-L318 HydrophobicContact CG2-CG 4.02Å; L281-L318 HydrophobicContact CD1-CB 3.93Å; L281-L318 HydrophobicContact CD1-CD1 3.69Å; L281-L318 HydrophobicContact CD1-CG 4.05Å; L318-F320 HydrophobicContact CD2-CB 3.74Å; L318-F320 HydrophobicContact CD2-CD1 3.81Å; L318-F320 HydrophobicContact CD2-CG 4.13Å; L318-L371 HydrophobicContact CD1-CB 4.3Å; L318-L371 HydrophobicContact CD1-CD1 4.31Å; L318-L371 HydrophobicContact CD1-CD2 3.97Å; L318-L371 HydrophobicContact CD1-CG 4.42Å; L318-L371 HydrophobicContact CD2-CD1 3.98Å; L318-Y375 HydrophobicContact CD1-CD2 3.77Å; L318-Y375 HydrophobicContact CD1-CE2 3.98Å; L318-P378 PolarHBondContact N-O 2.79Å; L318-L379 HydrophobicContact CB-CD2 3.79Å; L318-L379 HydrophobicContact CD1-CD2 4.19Å; L318-L379 HydrophobicContact CD2-CD2 4.4Å; L318-L379 HydrophobicContact CG-CD2 4.36Å; L318-L379 CarbonylContact O-C 3.57Å; L318-L379 WeakPolarHBondContact O-CA 3.35Å; L318-F380 PolarHBondContact O-N 3.38Å
319G98.9Very high98.5Very high0 Ų022.5 Ų22.50%011%0.105CC..EExtended strand (participates in β ladder)trans-75.2138.2163.700000110.1C246 M247 L248 F380C246-G319 VanDerWaalsContact O-CA 3.31Å; C246-G319 WeakPolarHBondContact O-CA 3.14Å; C246-G319 PolarHBondContact O-N 3.03Å; M247-G319 CarbonylContact C-O 3.59Å; M247-G319 WeakPolarHBondContact CA-O 3.33Å; L248-G319 PolarHBondContact N-O 3.11Å; G319-F380 CarbonylContact C-O 3.53Å; G319-F380 VanDerWaalsContact CA-O 3.3Å; G319-F380 WeakPolarHBondContact CA-O 3.12Å
320F99Very high98.3Very high0 Ų023.2 Ų23.20%011%0.113CC..EExtended strand (participates in β ladder)trans-145.9154.7173.170.4-78.3000113.4L248 M250 L318 L364 L368 L371 L379 F380 I381 V382 E383L248-F320 HydrophobicContact CB-CB 4.24Å; L248-F320 CarbonylContact O-C 3.57Å; L248-F320 WeakPolarHBondContact O-CA 3.35Å; L248-F320 WeakPolarHBondContact O-CB 3.43Å; M250-F320 HydrophobicContact CB-CB 4.29Å; M250-F320 HydrophobicContact CB-CD2 3.72Å; M250-F320 HydrophobicContact CB-CE2 4.49Å; M250-F320 HydrophobicContact CB-CG 4.37Å; M250-F320 HydrophobicContact CG-CD2 4.38Å; L318-F320 HydrophobicContact CD2-CB 3.74Å; L318-F320 HydrophobicContact CD2-CD1 3.81Å; L318-F320 HydrophobicContact CD2-CG 4.13Å; F320-L364 HydrophobicContact CE2-CD1 3.97Å; F320-L364 HydrophobicContact CZ-CD1 4.13Å; F320-L368 HydrophobicContact CE1-CD2 3.83Å; F320-L368 HydrophobicContact CZ-CD2 3.56Å; F320-L368 HydrophobicContact CZ-CG 4.06Å; F320-L371 HydrophobicContact CD1-CD1 4.15Å; F320-L371 HydrophobicContact CD2-CD1 4.41Å; F320-L371 HydrophobicContact CE1-CD1 4.35Å; F320-L371 HydrophobicContact CG-CD1 4.18Å; F320-L379 HydrophobicContact CE1-CB 4.24Å; F320-L379 HydrophobicContact CE1-CD1 4.46Å; F320-F380 PolarHBondContact N-O 3.48Å; F320-I381 HydrophobicContact CE1-CG1 3.72Å; F320-I381 HydrophobicContact CE2-CG1 4.11Å; F320-I381 HydrophobicContact CZ-CB 4.5Å; F320-I381 HydrophobicContact CZ-CD1 4.37Å; F320-I381 HydrophobicContact CZ-CG1 3.42Å; F320-I381 VanDerWaalsContact CZ-CG1 3.42Å; F320-V382 PolarHBondContact O-N 3.42Å; F320-E383 PolarHBondContact O-N 3.2Å
321S98.9Very high98Very high3 Ų330.9 Ų30.92%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-94145.1164.961.50000110.5E186 L248 A249 M250 E383E186-S321 WeakPolarHBondContact OE1-CB 3.3Å; E186-S321 PolarHBondContact OE1-OG 3.42Å; L248-S321 PolarHBondContact O-N 3.36Å; A249-S321 WeakPolarHBondContact CA-OG 3.23Å; M250-S321 WeakPolarHBondContact CB-O 3.36Å; M250-S321 PolarHBondContact N-O 2.8Å; S321-E383 WeakPolarHBondContact CA-O 3.34Å
322Y98.9Very high97.4Very high0 Ų028.5 Ų28.50%016%0.164CC..  trans-138.3130.3171.1-179-90.4000110.5P252 T325 D360 G363 L364 A367 E383 N384 H410P252-Y322 HydrophobicContact CG-CE2 4.05Å; Y322-T325 HydrophobicContact CE2-CG2 4.16Å; Y322-T325 VanDerWaalsContact OH-CG2 3.22Å; Y322-T325 WeakPolarHBondContact OH-CG2 3.44Å; Y322-D360 WeakPolarHBondContact CE1-O 3.41Å; Y322-D360 PolarHBondContact OH-O 2.85Å; Y322-G363 VanDerWaalsContact CZ-C 3.43Å; Y322-G363 WeakPolarHBondContact OH-CA 3.47Å; Y322-L364 HydrophobicContact CD1-CB 3.79Å; Y322-L364 HydrophobicContact CD1-CD1 3.87Å; Y322-L364 HydrophobicContact CD1-CG 4.28Å; Y322-L364 HydrophobicContact CD2-CD1 4.27Å; Y322-L364 HydrophobicContact CE1-CB 3.7Å; Y322-L364 HydrophobicContact CE2-CB 4.49Å; Y322-L364 HydrophobicContact CG-CB 4.25Å; Y322-L364 HydrophobicContact CG-CD1 3.67Å; Y322-L364 VanDerWaalsContact CZ-N 3.26Å; Y322-L364 PolarHBondContact OH-N 2.89Å; Y322-A367 HydrophobicContact CD2-CB 4.29Å; Y322-A367 HydrophobicContact CE2-CB 4.48Å; Y322-E383 PolarHBondContact N-O 3.11Å; Y322-N384 VanDerWaalsContact O-CA 3.29Å; Y322-N384 WeakPolarHBondContact O-CA 3.19Å; Y322-N384 PolarHBondContact O-ND2 3.1Å; Y322-H410 AromaticContact CD1-CD2 3.75Å; Y322-H410 AromaticContact CE1-CD2 3.51Å; Y322-H410 AromaticContact CE1-NE2 3.44Å; Y322-H410 WeakPolarHBondContact CE1-NE2 3.48Å
323Y98Very high96.6Very high21 Ų2124.3 Ų24.38%0.08215%0.151CC..  trans-136.7-32.2177.5-64.8-81.8000113.6W357 E383 G385 Y406 W431 Y448Y323-W357 HydrophobicContact CD1-CE3 4.33Å; Y323-W357 AromaticContact CD1-CZ3 3.8Å; Y323-W357 HydrophobicContact CD1-CZ3 3.8Å; Y323-W357 AromaticContact CD2-CZ3 3.95Å; Y323-W357 HydrophobicContact CD2-CZ3 3.95Å; Y323-W357 HydrophobicContact CE1-CZ3 4.4Å; Y323-W357 HydrophobicContact CG-CE3 4.11Å; Y323-W357 AromaticContact CG-CZ3 3.53Å; Y323-W357 HydrophobicContact CG-CZ3 3.53Å; Y323-E383 HydrophobicContact CE2-CB 4.19Å; Y323-E383 WeakPolarHBondContact OH-CB 3.33Å; Y323-E383 PolarHBondContact OH-OE2 3.23Å; Y323-G385 WeakPolarHBondContact CD1-O 3.32Å; Y323-Y406 WeakPolarHBondContact CA-OH 3.48Å; Y323-Y406 PolarHBondContact O-OH 3.28Å; Y323-W431 HydrophobicContact CE1-CB 4.15Å; Y323-W431 HydrophobicContact CE1-CG 4.48Å; Y323-W431 WeakPolarHBondContact OH-CB 3.26Å; Y323-Y448 HydrophobicContact CE1-CE1 4.22Å
324M97.7Very high95.6Very high13 Ų1330 Ų306%0.06419%0.185CC..  trans-158.3169.7-170.671.5-177.790.800111.6V251 W357 Q358V251-M324 HydrophobicContact CG1-CG 4.1Å; V251-M324 HydrophobicContact CG2-CG 4.43Å; M324-W357 HydrophobicContact CE-CB 3.78Å; M324-W357 HydrophobicContact CE-CD2 3.17Å; M324-W357 HydrophobicContact CE-CE3 3.41Å; M324-W357 VanDerWaalsContact CE-CE3 3.41Å; M324-W357 HydrophobicContact CE-CG 3.39Å; M324-W357 HydrophobicContact CE-CH2 4.3Å; M324-W357 HydrophobicContact CE-CZ2 4.15Å; M324-W357 HydrophobicContact CE-CZ3 3.97Å; M324-W357 HydrophobicContact SD-CB 4.44Å; M324-Q358 VanDerWaalsContact CA-O 3.3Å; M324-Q358 WeakPolarHBondContact CA-O 3.47Å; M324-Q358 HydrophobicContact CB-CB 4.49Å; M324-Q358 WeakPolarHBondContact CB-O 3.36Å
325T98.3Very high94.5Very high0 Ų029 Ų290%018%0.182CC..  trans-119.5162.4163.259.70000110.2P252 Y254 Y322 Q358 D360P252-T325 HydrophobicContact CB-CG2 3.79Å; P252-T325 HydrophobicContact CG-CG2 3.8Å; Y254-T325 HydrophobicContact CE1-CG2 4.48Å; Y254-T325 HydrophobicContact CE2-CG2 3.98Å; Y254-T325 WeakPolarHBondContact CE2-OG1 3.31Å; Y254-T325 WeakPolarHBondContact OH-CG2 3.45Å; Y322-T325 HydrophobicContact CE2-CG2 4.16Å; Y322-T325 VanDerWaalsContact OH-CG2 3.22Å; Y322-T325 WeakPolarHBondContact OH-CG2 3.44Å; T325-Q358 PolarHBondContact O-NE2 3.17Å; T325-D360 HydrophobicContact CG2-CB 4.09Å; T325-D360 WeakPolarHBondContact CG2-OD2 3.47Å; T325-D360 WeakPolarHBondContact OG1-CB 3.2Å; T325-D360 PolarHBondContact OG1-OD2 2.84Å
326N97.5Very high93.5Very high4 Ų433.3 Ų33.32%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-119.4154.3166.3-67.6-17.4000110.3P252 L253 Y254 S339 S344P252-N326 PolarHBondContact O-N 2.86Å; L253-N326 WeakPolarHBondContact CA-O 3.38Å; L253-N326 HydrophobicContact CD2-CB 3.75Å; Y254-N326 PolarHBondContact N-O 3.36Å; N326-S339 PolarHBondContact ND2-O 3.48Å; N326-S344 PolarHBondContact ND2-OG 2.92Å
327A97.4Very high92Very high4 Ų435.9 Ų35.93%0.03323%0.233CC..EExtended strand (participates in β ladder)trans-99.214516000000109.1Y254 Y256 S344 V345 N347Y254-A327 CarbonylContact O-C 3.58Å; Y254-A327 WeakPolarHBondContact O-CA 3.05Å; Y256-A327 HydrophobicContact CD2-CB 4.2Å; A327-S344 CarbonylContact O-C 3.58Å; A327-S344 VanDerWaalsContact O-CA 3.28Å; A327-S344 WeakPolarHBondContact O-CA 3.4Å; A327-V345 HydrophobicContact CB-CG2 4.16Å; A327-V345 PolarHBondContact O-N 3.19Å; A327-N347 HydrophobicContact CB-CB 4.08Å
328V97.6Very high90.7Very high0 Ų039 Ų390%025%0.25CC..EExtended strand (participates in β ladder)trans-128145.9179.5-65.40000111.8L253 Y254 Y256 F265 A266 F341 G343L253-V328 HydrophobicContact CB-CG1 4.19Å; L253-V328 HydrophobicContact CB-CG2 4.21Å; L253-V328 HydrophobicContact CD1-CG1 4.23Å; L253-V328 HydrophobicContact CD2-CG1 4.03Å; L253-V328 HydrophobicContact CG-CG1 4.39Å; Y254-V328 WeakPolarHBondContact O-CG2 3.43Å; Y254-V328 PolarHBondContact O-N 2.87Å; Y256-V328 VanDerWaalsContact CB-O 3.27Å; Y256-V328 WeakPolarHBondContact CB-O 3.22Å; Y256-V328 PolarHBondContact N-O 3.45Å; F265-V328 HydrophobicContact CD1-CB 3.98Å; F265-V328 HydrophobicContact CD1-CG2 3.91Å; F265-V328 HydrophobicContact CE1-CB 3.87Å; F265-V328 HydrophobicContact CE1-CG2 4.24Å; A266-V328 HydrophobicContact CB-CG2 3.68Å; V328-F341 HydrophobicContact CG1-CD1 3.72Å; V328-F341 HydrophobicContact CG1-CE1 3.9Å; V328-G343 WeakPolarHBondContact CA-O 3.04Å
329K96.8Very high89.4Confident69 Ų6940 Ų4030%0.326%0.257SS..  trans-121.7140.4175.3-74.2-176.272.3169.90110.2Y256 D262 F265 E331 G343 V345Y256-K329 HydrophobicContact CD1-CD 3.62Å; Y256-K329 HydrophobicContact CD1-CG 3.8Å; Y256-K329 HydrophobicContact CD2-CD 4.32Å; Y256-K329 HydrophobicContact CD2-CG 4.3Å; Y256-K329 HydrophobicContact CE1-CD 4.11Å; Y256-K329 HydrophobicContact CG-CD 3.75Å; Y256-K329 HydrophobicContact CG-CG 3.55Å; D262-K329 WeakPolarHBondContact OD1-CA 3.46Å; F265-K329 WeakPolarHBondContact CE1-O 3.39Å; K329-E331 WeakPolarHBondContact CB-O 3.38Å; K329-E331 PolarHBondContact O-N 3.13Å; K329-G343 PolarHBondContact N-O 2.77Å; K329-V345 HydrophobicContact CB-CG1 4.48Å; K329-V345 HydrophobicContact CD-CG1 4.01Å; K329-V345 HydrophobicContact CD-CG2 4.08Å; K329-V345 HydrophobicContact CG-CG1 4.24Å; K329-V345 HydrophobicContact CG-CG2 3.92Å
330A94.9Very high88.4Confident37 Ų3741 Ų4131%0.30627%0.267SS..SBendtrans-62.4-34.3175.200000112.2E261 D262 F265E261-A330 HydrophobicContact CB-CB 3.85Å; D262-A330 PolarHBondContact OD1-N 2.82Å; F265-A330 HydrophobicContact CB-CB 4.01Å; F265-A330 HydrophobicContact CG-CB 4.35Å
331E92.1Very high87.8Confident165 Ų16541.9 Ų41.977%0.77127%0.271SS*.SBendtrans-127.5141.1176.6-65.3-169.6164.300112.4K329 G333K329-E331 WeakPolarHBondContact CB-O 3.38Å; K329-E331 PolarHBondContact O-N 3.13Å; E331-G333 VanDerWaalsContact C-N 3.3Å; E331-G333 PolarHBondContact O-N 2.94Å
332G86.6Confident87.2Confident79 Ų7947.8 Ų47.881%0.81430%0.298SS*.SBendtrans79.5-0.9172.300000115.9
333G83.3Confident86.8Confident17 Ų1748 Ų4818%0.17530%0.301CS..  trans-79.4125169.800000110.8E331 G343E331-G333 VanDerWaalsContact C-N 3.3Å; E331-G333 PolarHBondContact O-N 2.94Å; G333-G343 VanDerWaalsContact O-CA 3.28Å; G333-G343 WeakPolarHBondContact O-CA 3.47Å; G333-G343 PolarHBondContact O-N 3.45Å
334T77.3Confident86.7Confident122 Ų12247.3 Ų47.375%0.74830%0.299SS*.  trans-97.6-28177.457.50000112.3
335G74.9Confident86.5Confident18 Ų1848 Ų4819%0.18630%0.303CS..  trans63.4176.4-161.100000112.8F341 S344G335-F341 WeakPolarHBondContact CA-O 3.28Å; G335-S344 PolarHBondContact N-O 2.84Å; G335-S344 VanDerWaalsContact N-O 3.11Å
336D78Confident86.3Confident95 Ų9553.1 Ų53.151%0.50834%0.337SS..  trans-151.5-179.4172.665.97.7000110.1I338 S339 G340D336-I338 PolarHBondContact O-N 3.24Å; D336-I338 PolarHBondContact OD1-N 3.42Å; D336-S339 PolarHBondContact N-OG 3.36Å; D336-S339 PolarHBondContact O-OG 2.79Å; D336-S339 VanDerWaalsContact O-OG 3.13Å; D336-S339 WeakPolarHBondContact OD1-CB 3.42Å; D336-S339 PolarHBondContact OD1-N 3.12Å; D336-S339 PolarHBondContact OD1-OG 3.25Å; D336-G340 PolarHBondContact O-N 2.6Å
337A68.6Low86.3Confident105 Ų10553.8 Ų53.887%0.86834%0.341SS*.THydrogen-bonded Turntrans-64.6-20.6179.700000113.7
338I70.4Confident86.3Confident68 Ų6857.7 Ų57.735%0.34937%0.366SS..THydrogen-bonded Turntrans-83.7-49.7-177.5-61.9170.7000110.1D336 G340 W355 G356D336-I338 PolarHBondContact O-N 3.24Å; D336-I338 PolarHBondContact OD1-N 3.42Å; I338-G340 VanDerWaalsContact C-N 3.27Å; I338-G340 PolarHBondContact O-N 3.2Å; I338-W355 WeakPolarHBondContact CD1-O 3.24Å; I338-G356 WeakPolarHBondContact CG2-O 3.43Å
339S71.5Confident86.3Confident20 Ų2067.5 Ų67.514%0.1440%0.404CS..THydrogen-bonded Turntrans-65.1-32.8173.553.40000111.6N326 D336 F341N326-S339 PolarHBondContact ND2-O 3.48Å; D336-S339 PolarHBondContact N-OG 3.36Å; D336-S339 PolarHBondContact O-OG 2.79Å; D336-S339 VanDerWaalsContact O-OG 3.13Å; D336-S339 WeakPolarHBondContact OD1-CB 3.42Å; D336-S339 PolarHBondContact OD1-N 3.12Å; D336-S339 PolarHBondContact OD1-OG 3.25Å; S339-F341 PolarHBondContact O-N 3.41Å; S339-F341 VanDerWaalsContact O-N 3.11Å
340G78.5Confident86.4Confident22 Ų2266.1 Ų66.123%0.22740%0.401CS..  trans65.514.6174.600000114.1N192 D336 I338N192-G340 PolarHBondContact ND2-O 3.05Å; D336-G340 PolarHBondContact O-N 2.6Å; I338-G340 VanDerWaalsContact C-N 3.27Å; I338-G340 PolarHBondContact O-N 3.2Å
341F85.8Confident86.5Confident17 Ų1772.5 Ų72.58%0.07542%0.422CS..SBendtrans-142.6127.6-176.7-169.3-99.5000111.5L253 F265 S269 E272 R273 V328 G335 S339 S344L253-F341 HydrophobicContact CD1-CD1 3.71Å; L253-F341 HydrophobicContact CD1-CD2 4.2Å; L253-F341 HydrophobicContact CD1-CE1 3.53Å; L253-F341 HydrophobicContact CD1-CE2 4.03Å; L253-F341 HydrophobicContact CD1-CG 4.06Å; L253-F341 HydrophobicContact CD1-CZ 3.72Å; L253-F341 HydrophobicContact CD2-CD1 4.17Å; L253-F341 HydrophobicContact CD2-CG 4.29Å; F265-F341 HydrophobicContact CE1-CE1 4.39Å; F265-F341 HydrophobicContact CZ-CE1 4.41Å; S269-F341 VanDerWaalsContact OG-CZ 3.3Å; S269-F341 WeakPolarHBondContact OG-CZ 3.24Å; E272-F341 HydrophobicContact CG-CE2 4.45Å; E272-F341 WeakPolarHBondContact OE2-CE2 3.45Å; R273-F341 VanDerWaalsContact NH1-CD2 3.27Å; V328-F341 HydrophobicContact CG1-CD1 3.72Å; V328-F341 HydrophobicContact CG1-CE1 3.9Å; G335-F341 WeakPolarHBondContact CA-O 3.28Å; S339-F341 PolarHBondContact O-N 3.41Å; S339-F341 VanDerWaalsContact O-N 3.11Å; F341-S344 VanDerWaalsContact O-CB 3.31Å; F341-S344 WeakPolarHBondContact O-CB 3.47Å; F341-S344 PolarHBondContact O-N 3.39Å; F341-S344 PolarHBondContact O-OG 3.41Å
342E87.2Confident86.7Confident127 Ų12767.1 Ų67.159%0.59341%0.406SS*.THydrogen-bonded Turntrans-67.1139.6177-172.5170.4-17700110.1R194 S344R194-E342 IonicContact CZ-OE2 3.77Å; R194-E342 IonicContact NH1-OE2 2.69Å; R194-E342 PolarHBondContact NH1-OE2 3.46Å; E342-S344 VanDerWaalsContact C-N 3.32Å
343G91.2Very high87Confident5 Ų564 Ų645%0.05237%0.371CS..THydrogen-bonded Turntrans86.7-4.5-172.800000114.8V328 K329 G333V328-G343 WeakPolarHBondContact CA-O 3.04Å; K329-G343 PolarHBondContact N-O 2.77Å; G333-G343 VanDerWaalsContact O-CA 3.28Å; G333-G343 WeakPolarHBondContact O-CA 3.47Å; G333-G343 PolarHBondContact O-N 3.45Å
344S94.8Very high87.4Confident6 Ų669.2 Ų69.24%0.04240%0.395CS..EExtended strand (participates in β ladder)trans-70.6148.2174.8-740000113.3N326 A327 G335 F341 E342N326-S344 PolarHBondContact ND2-OG 2.92Å; A327-S344 CarbonylContact O-C 3.58Å; A327-S344 VanDerWaalsContact O-CA 3.28Å; A327-S344 WeakPolarHBondContact O-CA 3.4Å; G335-S344 PolarHBondContact N-O 2.84Å; G335-S344 VanDerWaalsContact N-O 3.11Å; F341-S344 VanDerWaalsContact O-CB 3.31Å; F341-S344 WeakPolarHBondContact O-CB 3.47Å; F341-S344 PolarHBondContact O-N 3.39Å; F341-S344 PolarHBondContact O-OG 3.41Å; E342-S344 VanDerWaalsContact C-N 3.32Å
345V94.7Very high87.9Confident27 Ų2765 Ų6516%0.16437%0.366CS..EExtended strand (participates in β ladder)trans-137.4154.6173.8-65.10000110.2Y256 A327 K329 N347Y256-V345 HydrophobicContact CD2-CG2 3.33Å; Y256-V345 HydrophobicContact CE2-CG2 3.89Å; Y256-V345 HydrophobicContact CG-CG2 4Å; A327-V345 HydrophobicContact CB-CG2 4.16Å; A327-V345 PolarHBondContact O-N 3.19Å; K329-V345 HydrophobicContact CB-CG1 4.48Å; K329-V345 HydrophobicContact CD-CG1 4.01Å; K329-V345 HydrophobicContact CD-CG2 4.08Å; K329-V345 HydrophobicContact CG-CG1 4.24Å; K329-V345 HydrophobicContact CG-CG2 3.92Å; V345-N347 PolarHBondContact O-N 3.25Å
346P94.2Very high88.7Confident108 Ų10865.4 Ų65.470%0.70137%0.37SS*.  trans-57.9132175.4-24.234.4000111.4P348P346-P348 WeakPolarHBondContact O-CD 3.31Å
347N96.5Very high89.4Confident19 Ų1963.8 Ų63.810%0.10236%0.357CS..  trans-81.4113.6172.6178.8-12.3000108.5A327 V345 Y349 V350A327-N347 HydrophobicContact CB-CB 4.08Å; V345-N347 PolarHBondContact O-N 3.25Å; N347-Y349 PolarHBondContact O-N 3.27Å; N347-Y349 VanDerWaalsContact O-N 3.09Å; N347-Y349 WeakPolarHBondContact OD1-CD2 3.39Å; N347-Y349 PolarHBondContact OD1-N 2.8Å; N347-Y349 VanDerWaalsContact OD1-N 3.08Å; N347-V350 HydrophobicContact CB-CG2 3.78Å; N347-V350 PolarHBondContact O-N 2.89Å
348P96.9Very high90.7Very high86 Ų8659.9 Ų59.956%0.55832%0.321SS*.THydrogen-bonded Turntrans-72.3-5.3-172.231.3-36.5000113.7P346P346-P348 WeakPolarHBondContact O-CD 3.31Å
349Y98.5Very high92.1Very high206 Ų20658.9 Ų58.981%0.80832%0.316SS*.THydrogen-bonded Turntrans-99.3-2.9-175.7-57-71.3000113.9N347N347-Y349 PolarHBondContact O-N 3.27Å; N347-Y349 VanDerWaalsContact O-N 3.09Å; N347-Y349 WeakPolarHBondContact OD1-CD2 3.39Å; N347-Y349 PolarHBondContact OD1-N 2.8Å; N347-Y349 VanDerWaalsContact OD1-N 3.08Å
350V98Very high93.4Very high39 Ų3958.5 Ų58.524%0.23631%0.312CS..SBendtrans-125.6154.4-176.7-61.20000111.5N347 Q358 D360N347-V350 HydrophobicContact CB-CG2 3.78Å; N347-V350 PolarHBondContact O-N 2.89Å; V350-Q358 HydrophobicContact CG2-CB 3.95Å; V350-Q358 HydrophobicContact CG2-CG 4.24Å; V350-D360 HydrophobicContact CG1-CB 4.21Å
351K97.4Very high94.4Very high171 Ų17159 Ų5974%0.74331%0.312SS*.EExtended strand (participates in β ladder)trans-85172.6169-63.1-178.8-177.2177.30109.5Q358 I359K351-Q358 CarbonylContact O-C 3.53Å; K351-Q358 WeakPolarHBondContact O-CA 3.1Å; K351-I359 PolarHBondContact O-N 3.12Å
352A96Very high95Very high52 Ų5261.9 Ų61.943%0.4333%0.33SS..EExtended strand (participates in β ladder)trans-131.5159.3172.100000111.1W357A352-W357 CarbonylContact C-O 3.52Å; A352-W357 VanDerWaalsContact CA-O 3.26Å; A352-W357 WeakPolarHBondContact CA-O 3.31Å
353S93.8Very high95.5Very high13 Ų1355.9 Ų55.99%0.09130%0.302CS..  trans-68.1171.5167.967.60000112W355 G356 W357S353-W355 PolarHBondContact O-N 2.85Å; S353-W355 VanDerWaalsContact O-N 3.11Å; S353-W355 PolarHBondContact OG-N 2.86Å; S353-G356 PolarHBondContact O-N 3.42Å; S353-W357 PolarHBondContact N-O 2.86Å; S353-W357 WeakPolarHBondContact OG-CB 3.2Å; S353-W357 PolarHBondContact OG-N 2.89Å; S353-W357 VanDerWaalsContact OG-N 3.07Å
354D91Very high95.9Very high128 Ų12855.6 Ų55.668%0.68430%0.3SS*.THydrogen-bonded Turntrans-60.5-18.8172.4-66.3-0.6000113.2
355W87.7Confident96.1Very high32 Ų3258.4 Ų58.412%0.12131%0.309CS..THydrogen-bonded Turntrans-95.19.7173.1-83.3-96000113.3I338 S353 W357 Y389 K446I338-W355 WeakPolarHBondContact CD1-O 3.24Å; S353-W355 PolarHBondContact O-N 2.85Å; S353-W355 VanDerWaalsContact O-N 3.11Å; S353-W355 PolarHBondContact OG-N 2.86Å; W355-W357 VanDerWaalsContact C-N 3.28Å; W355-W357 VanDerWaalsContact O-CD1 3.3Å; W355-W357 PolarHBondContact O-N 3.17Å; W355-Y389 HydrophobicContact CH2-CD1 4.04Å; W355-Y389 AromaticContact CH2-CD2 3.92Å; W355-Y389 HydrophobicContact CH2-CD2 3.92Å; W355-Y389 AromaticContact CH2-CE1 3.65Å; W355-Y389 HydrophobicContact CH2-CE1 3.65Å; W355-Y389 AromaticContact CH2-CE2 3.52Å; W355-Y389 HydrophobicContact CH2-CE2 3.52Å; W355-Y389 HydrophobicContact CH2-CG 4.17Å; W355-Y389 AromaticContact CH2-CZ 3.38Å; W355-Y389 HydrophobicContact CZ2-CE1 4.2Å; W355-Y389 HydrophobicContact CZ2-CE2 4.34Å; W355-Y389 AromaticContact CZ2-CZ 3.86Å; W355-Y389 HydrophobicContact CZ3-CD2 4.06Å; W355-Y389 AromaticContact CZ3-CE2 3.87Å; W355-Y389 HydrophobicContact CZ3-CE2 3.87Å; W355-K446 HydrophobicContact CD2-CD 3.87Å; W355-K446 HydrophobicContact CD2-CG 4Å; W355-K446 HydrophobicContact CE3-CD 4.42Å; W355-K446 HydrophobicContact CE3-CG 4.13Å; W355-K446 HydrophobicContact CG-CD 4.09Å; W355-K446 HydrophobicContact CH2-CB 3.87Å; W355-K446 HydrophobicContact CH2-CG 3.91Å; W355-K446 HydrophobicContact CZ2-CB 3.58Å; W355-K446 HydrophobicContact CZ2-CD 4.2Å; W355-K446 HydrophobicContact CZ2-CG 3.77Å; W355-K446 HydrophobicContact CZ3-CG 4.1Å
356G91Very high96.3Very high28 Ų2860.9 Ų60.929%0.28932%0.316SS..  trans79.41.5178.700000115.2I338 S353 Q358I338-G356 WeakPolarHBondContact CG2-O 3.43Å; S353-G356 PolarHBondContact O-N 3.42Å; G356-Q358 PolarHBondContact O-N 2.72Å
357W93.2Very high96.5Very high60 Ų6055.7 Ų55.723%0.22728%0.283CS..  trans-71.6118.2-179.9-65.923.8000109.8Y323 M324 A352 S353 W355Y323-W357 HydrophobicContact CD1-CE3 4.33Å; Y323-W357 AromaticContact CD1-CZ3 3.8Å; Y323-W357 HydrophobicContact CD1-CZ3 3.8Å; Y323-W357 AromaticContact CD2-CZ3 3.95Å; Y323-W357 HydrophobicContact CD2-CZ3 3.95Å; Y323-W357 HydrophobicContact CE1-CZ3 4.4Å; Y323-W357 HydrophobicContact CG-CE3 4.11Å; Y323-W357 AromaticContact CG-CZ3 3.53Å; Y323-W357 HydrophobicContact CG-CZ3 3.53Å; M324-W357 HydrophobicContact CE-CB 3.78Å; M324-W357 HydrophobicContact CE-CD2 3.17Å; M324-W357 HydrophobicContact CE-CE3 3.41Å; M324-W357 VanDerWaalsContact CE-CE3 3.41Å; M324-W357 HydrophobicContact CE-CG 3.39Å; M324-W357 HydrophobicContact CE-CH2 4.3Å; M324-W357 HydrophobicContact CE-CZ2 4.15Å; M324-W357 HydrophobicContact CE-CZ3 3.97Å; M324-W357 HydrophobicContact SD-CB 4.44Å; A352-W357 CarbonylContact C-O 3.52Å; A352-W357 VanDerWaalsContact CA-O 3.26Å; A352-W357 WeakPolarHBondContact CA-O 3.31Å; S353-W357 PolarHBondContact N-O 2.86Å; S353-W357 WeakPolarHBondContact OG-CB 3.2Å; S353-W357 PolarHBondContact OG-N 2.89Å; S353-W357 VanDerWaalsContact OG-N 3.07Å; W355-W357 VanDerWaalsContact C-N 3.28Å; W355-W357 VanDerWaalsContact O-CD1 3.3Å; W355-W357 PolarHBondContact O-N 3.17Å
358Q97.4Very high96.6Very high24 Ų2454.8 Ų54.811%0.11228%0.278CS..EExtended strand (participates in β ladder)trans-67.9131.9-175.8-63.9-172.6123.500111.4M324 T325 V350 K351 G356M324-Q358 VanDerWaalsContact CA-O 3.3Å; M324-Q358 WeakPolarHBondContact CA-O 3.47Å; M324-Q358 HydrophobicContact CB-CB 4.49Å; M324-Q358 WeakPolarHBondContact CB-O 3.36Å; T325-Q358 PolarHBondContact O-NE2 3.17Å; V350-Q358 HydrophobicContact CG2-CB 3.95Å; V350-Q358 HydrophobicContact CG2-CG 4.24Å; K351-Q358 CarbonylContact O-C 3.53Å; K351-Q358 WeakPolarHBondContact O-CA 3.1Å; G356-Q358 PolarHBondContact O-N 2.72Å
359I98.7Very high96.7Very high46 Ų4651.5 Ų51.524%0.23626%0.257CS..EExtended strand (participates in β ladder)trans-96102.2-175.7-55.9167.7000108.5K351 F386 Y406K351-I359 PolarHBondContact O-N 3.12Å; I359-F386 HydrophobicContact CD1-CE2 3.66Å; I359-F386 HydrophobicContact CD1-CZ 4.29Å; I359-F386 HydrophobicContact CG1-CE2 4.11Å; I359-Y406 HydrophobicContact CG1-CD2 4.39Å; I359-Y406 HydrophobicContact CG1-CE2 4.5Å; I359-Y406 HydrophobicContact CG2-CD2 3.77Å; I359-Y406 HydrophobicContact CG2-CE2 4.07Å
360D98.8Very high96.8Very high13 Ų1344.8 Ų44.87%0.0723%0.233CC..  trans-131.692.5-179.4-177.83.8000110.6Y254 Y322 T325 V350 V362 G363Y254-D360 WeakPolarHBondContact CE2-OD2 3.36Å; Y254-D360 PolarHBondContact OH-OD2 3.1Å; Y322-D360 WeakPolarHBondContact CE1-O 3.41Å; Y322-D360 PolarHBondContact OH-O 2.85Å; T325-D360 HydrophobicContact CG2-CB 4.09Å; T325-D360 WeakPolarHBondContact CG2-OD2 3.47Å; T325-D360 WeakPolarHBondContact OG1-CB 3.2Å; T325-D360 PolarHBondContact OG1-OD2 2.84Å; V350-D360 HydrophobicContact CG1-CB 4.21Å; D360-V362 VanDerWaalsContact C-N 3.33Å; D360-V362 PolarHBondContact O-N 2.77Å; D360-V362 PolarHBondContact OD1-N 2.69Å; D360-V362 VanDerWaalsContact OD1-N 3.16Å; D360-G363 VanDerWaalsContact CG-N 3.34Å; D360-G363 PolarHBondContact O-N 2.72Å; D360-G363 PolarHBondContact OD1-N 2.92Å
361P98.8Very high96.8Very high32 Ų3242.9 Ų42.921%0.20822%0.221CC..Hα-helixtrans-67.7-33.1177.426.6-33.9000112.6G363 L364 A409 E413P361-G363 VanDerWaalsContact C-N 3.25Å; P361-G363 PolarHBondContact O-N 3.38Å; P361-L364 WeakPolarHBondContact O-CB 3.11Å; P361-L364 PolarHBondContact O-N 2.91Å; P361-L364 VanDerWaalsContact O-N 3.09Å; P361-A409 HydrophobicContact CB-CB 3.81Å; P361-A409 WeakPolarHBondContact CB-O 3.48Å; P361-A409 HydrophobicContact CG-CB 4.01Å; P361-E413 HydrophobicContact CB-CG 4.1Å; P361-E413 VanDerWaalsContact O-CB 3.27Å; P361-E413 WeakPolarHBondContact O-CB 3.34Å; P361-E413 WeakPolarHBondContact O-CG 3.47Å
362V98.9Very high96.9Very high78 Ų7837 Ų3747%0.47320%0.195SC..Hα-helixtrans-68.2-31.7-179.8178.60000110.5D360 L364 R365 Y366 E413D360-V362 VanDerWaalsContact C-N 3.33Å; D360-V362 PolarHBondContact O-N 2.77Å; D360-V362 PolarHBondContact OD1-N 2.69Å; D360-V362 VanDerWaalsContact OD1-N 3.16Å; V362-L364 PolarHBondContact O-N 2.91Å; V362-R365 WeakPolarHBondContact O-CB 3.4Å; V362-R365 PolarHBondContact O-N 3.38Å; V362-Y366 PolarHBondContact O-N 3.16Å; V362-E413 HydrophobicContact CG2-CG 4.29Å
363G98.9Very high97Very high0 Ų041 Ų410%021%0.205CC..Hα-helixtrans-59.6-25.3172.100000114.5Y254 Y322 D360 P361 Y366 A367Y254-G363 WeakPolarHBondContact OH-CA 3.27Å; Y322-G363 VanDerWaalsContact CZ-C 3.43Å; Y322-G363 WeakPolarHBondContact OH-CA 3.47Å; D360-G363 VanDerWaalsContact CG-N 3.34Å; D360-G363 PolarHBondContact O-N 2.72Å; D360-G363 PolarHBondContact OD1-N 2.92Å; P361-G363 VanDerWaalsContact C-N 3.25Å; P361-G363 PolarHBondContact O-N 3.38Å; G363-Y366 PolarHBondContact O-N 3.42Å; G363-A367 VanDerWaalsContact O-CB 3.31Å; G363-A367 WeakPolarHBondContact O-CB 3.4Å; G363-A367 PolarHBondContact O-N 3.42Å
364L98.9Very high97.3Very high0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-68.1-44.4171.5178.358.5000110.8F320 Y322 P361 V362 A367 L368 I381 H410 M414F320-L364 HydrophobicContact CE2-CD1 3.97Å; F320-L364 HydrophobicContact CZ-CD1 4.13Å; Y322-L364 HydrophobicContact CD1-CB 3.79Å; Y322-L364 HydrophobicContact CD1-CD1 3.87Å; Y322-L364 HydrophobicContact CD1-CG 4.28Å; Y322-L364 HydrophobicContact CD2-CD1 4.27Å; Y322-L364 HydrophobicContact CE1-CB 3.7Å; Y322-L364 HydrophobicContact CE2-CB 4.49Å; Y322-L364 HydrophobicContact CG-CB 4.25Å; Y322-L364 HydrophobicContact CG-CD1 3.67Å; Y322-L364 VanDerWaalsContact CZ-N 3.26Å; Y322-L364 PolarHBondContact OH-N 2.89Å; P361-L364 WeakPolarHBondContact O-CB 3.11Å; P361-L364 PolarHBondContact O-N 2.91Å; P361-L364 VanDerWaalsContact O-N 3.09Å; V362-L364 PolarHBondContact O-N 2.91Å; L364-A367 PolarHBondContact O-N 3.14Å; L364-L368 HydrophobicContact CD1-CD1 4.28Å; L364-L368 HydrophobicContact CD1-CG 4.36Å; L364-L368 HydrophobicContact CG-CD1 4.08Å; L364-L368 WeakPolarHBondContact O-CB 3.25Å; L364-L368 VanDerWaalsContact O-CG 3.26Å; L364-L368 WeakPolarHBondContact O-CG 3.29Å; L364-L368 PolarHBondContact O-N 3.15Å; L364-I381 HydrophobicContact CD1-CD1 3.88Å; L364-I381 HydrophobicContact CD1-CG1 4.21Å; L364-I381 HydrophobicContact CD2-CD1 4.13Å; L364-I381 HydrophobicContact CG-CD1 4.38Å; L364-H410 HydrophobicContact CD2-CB 3.84Å; L364-H410 WeakPolarHBondContact CD2-O 3.45Å; L364-M414 HydrophobicContact CD2-CB 4.11Å
365R98.9Very high97.6Very high64 Ų6438.7 Ų38.724%0.24218%0.184CC..Hα-helixtrans-62.3-43.9174.2177.7178.3179.7-154.9-4.9111V362 A367 L368 C369 E413 A417 Y420 D421V362-R365 WeakPolarHBondContact O-CB 3.4Å; V362-R365 PolarHBondContact O-N 3.38Å; R365-A367 PolarHBondContact O-N 3.23Å; R365-L368 PolarHBondContact O-N 3.22Å; R365-C369 PolarHBondContact O-N 3.42Å; R365-C369 PolarHBondContact O-SG 3.4Å; R365-E413 HydrophobicContact CB-CB 4.05Å; R365-E413 VanDerWaalsContact CD-OE2 3.3Å; R365-E413 WeakPolarHBondContact CD-OE2 3.34Å; R365-A417 HydrophobicContact CG-CB 4.18Å; R365-Y420 VanDerWaalsContact NH2-CD1 3.33Å; R365-D421 IonicContact CZ-OD1 3.74Å; R365-D421 IonicContact CZ-OD2 2.7Å; R365-D421 VanDerWaalsContact CZ-OD2 3.26Å; R365-D421 IonicContact NE-OD1 2.72Å; R365-D421 IonicContact NE-OD2 3.51Å; R365-D421 PolarHBondContact NE-OD2 3.23Å; R365-D421 VanDerWaalsContact NH2-CG 3.31Å; R365-D421 IonicContact NH2-OD1 2.7Å; R365-D421 PolarHBondContact NH2-OD1 3.39Å; R365-D421 IonicContact NH2-OD2 3.46Å; R365-D421 PolarHBondContact NH2-OD2 3.1Å
366Y98.9Very high98.2Very high79 Ų7942.5 Ų42.531%0.3120%0.204SC..Hα-helixtrans-57-48.7174.4175-97.8000111.8P252 Y254 V362 G363 L368 C369 E370P252-Y366 HydrophobicContact CB-CD1 3.79Å; P252-Y366 HydrophobicContact CB-CE1 3.88Å; P252-Y366 HydrophobicContact CG-CD1 4.07Å; Y254-Y366 HydrophobicContact CD1-CE1 4.43Å; Y254-Y366 AromaticContact CE1-CD1 3.78Å; Y254-Y366 HydrophobicContact CE1-CD1 3.78Å; Y254-Y366 HydrophobicContact CE1-CE1 4.02Å; Y254-Y366 HydrophobicContact CE1-CG 4.08Å; V362-Y366 PolarHBondContact O-N 3.16Å; G363-Y366 PolarHBondContact O-N 3.42Å; Y366-L368 PolarHBondContact O-N 2.93Å; Y366-C369 PolarHBondContact O-N 2.95Å; Y366-E370 HydrophobicContact CD1-CG 4.26Å; Y366-E370 HydrophobicContact CD2-CG 4.2Å; Y366-E370 HydrophobicContact CE1-CG 3.78Å; Y366-E370 HydrophobicContact CE2-CG 3.69Å; Y366-E370 HydrophobicContact CG-CG 4.46Å; Y366-E370 VanDerWaalsContact CZ-CG 3.46Å; Y366-E370 WeakPolarHBondContact O-CB 3.04Å; Y366-E370 WeakPolarHBondContact O-CG 3.18Å; Y366-E370 PolarHBondContact O-N 3.01Å
367A98.9Very high98.5Very high0 Ų046.1 Ų46.10%021%0.209CC..Hα-helixtrans-59.2-45.1177.300000112.1M250 P252 Y322 G363 L364 R365 L371M250-A367 HydrophobicContact CE-CB 4.05Å; M250-A367 HydrophobicContact CG-CB 3.79Å; P252-A367 HydrophobicContact CG-CB 4.02Å; Y322-A367 HydrophobicContact CD2-CB 4.29Å; Y322-A367 HydrophobicContact CE2-CB 4.48Å; G363-A367 VanDerWaalsContact O-CB 3.31Å; G363-A367 WeakPolarHBondContact O-CB 3.4Å; G363-A367 PolarHBondContact O-N 3.42Å; L364-A367 PolarHBondContact O-N 3.14Å; R365-A367 PolarHBondContact O-N 3.23Å; A367-L371 VanDerWaalsContact O-CB 3.29Å; A367-L371 WeakPolarHBondContact O-CB 3.47Å; A367-L371 WeakPolarHBondContact O-CG 3.43Å; A367-L371 PolarHBondContact O-N 3.22Å
368L99Very high98.8Very high0 Ų044.4 Ų44.40%021%0.205CC..Hα-helixtrans-60.1-48177.6-74.1165.2000111.7F320 L364 R365 Y366 Y372 L379 I381 M414 A417 V423 L425F320-L368 HydrophobicContact CE1-CD2 3.83Å; F320-L368 HydrophobicContact CZ-CD2 3.56Å; F320-L368 HydrophobicContact CZ-CG 4.06Å; L364-L368 HydrophobicContact CD1-CD1 4.28Å; L364-L368 HydrophobicContact CD1-CG 4.36Å; L364-L368 HydrophobicContact CG-CD1 4.08Å; L364-L368 WeakPolarHBondContact O-CB 3.25Å; L364-L368 VanDerWaalsContact O-CG 3.26Å; L364-L368 WeakPolarHBondContact O-CG 3.29Å; L364-L368 PolarHBondContact O-N 3.15Å; R365-L368 PolarHBondContact O-N 3.22Å; Y366-L368 PolarHBondContact O-N 2.93Å; L368-Y372 WeakPolarHBondContact O-CB 3.36Å; L368-Y372 PolarHBondContact O-N 2.94Å; L368-L379 HydrophobicContact CB-CD1 4.49Å; L368-L379 HydrophobicContact CD2-CB 4.44Å; L368-L379 HydrophobicContact CD2-CD1 3.74Å; L368-L379 WeakPolarHBondContact O-CD1 3.37Å; L368-I381 HydrophobicContact CD1-CD1 4.23Å; L368-I381 HydrophobicContact CD2-CD1 4.23Å; L368-I381 HydrophobicContact CD2-CG1 4.28Å; L368-M414 HydrophobicContact CD1-CB 4.42Å; L368-M414 HydrophobicContact CD1-CG 4.32Å; L368-A417 HydrophobicContact CB-CB 3.83Å; L368-A417 HydrophobicContact CD1-CB 3.48Å; L368-A417 VanDerWaalsContact CD1-CB 3.48Å; L368-A417 HydrophobicContact CG-CB 4.28Å; L368-V423 HydrophobicContact CB-CG1 4.34Å; L368-V423 HydrophobicContact CB-CG2 4.37Å; L368-V423 HydrophobicContact CD2-CG1 4.3Å; L368-L425 HydrophobicContact CD2-CD1 3.91Å; L368-L425 HydrophobicContact CD2-CD2 4.4Å
369C98.9Very high98.9Very high17 Ų1743.2 Ų43.212%0.11520%0.2CC..Hα-helixtrans-62.9-52.1178.3-63.30000111.4R365 Y366 L371 Y372 E373R365-C369 PolarHBondContact O-N 3.42Å; R365-C369 PolarHBondContact O-SG 3.4Å; Y366-C369 PolarHBondContact O-N 2.95Å; C369-L371 PolarHBondContact O-N 3.5Å; C369-Y372 PolarHBondContact O-N 3.36Å; C369-E373 WeakPolarHBondContact O-CB 3.33Å; C369-E373 VanDerWaalsContact O-CG 3.31Å; C369-E373 WeakPolarHBondContact O-CG 3.03Å; C369-E373 PolarHBondContact O-N 2.8Å
370E98.9Very high98.9Very high64 Ų6441 Ų4130%0.29919%0.188SC..Hα-helixtrans-57.2-46.6-179.1-80.6-74.4119.100112.5Y274 Y366 R374Y274-E370 PolarHBondContact OH-OE2 3.04Å; Y366-E370 HydrophobicContact CD1-CG 4.26Å; Y366-E370 HydrophobicContact CD2-CG 4.2Å; Y366-E370 HydrophobicContact CE1-CG 3.78Å; Y366-E370 HydrophobicContact CE2-CG 3.69Å; Y366-E370 HydrophobicContact CG-CG 4.46Å; Y366-E370 VanDerWaalsContact CZ-CG 3.46Å; Y366-E370 WeakPolarHBondContact O-CB 3.04Å; Y366-E370 WeakPolarHBondContact O-CG 3.18Å; Y366-E370 PolarHBondContact O-N 3.01Å; E370-R374 WeakPolarHBondContact O-CB 3.26Å; E370-R374 PolarHBondContact O-N 2.8Å; E370-R374 VanDerWaalsContact O-N 3.07Å
371L98.9Very high98.9Very high0 Ų040.4 Ų40.40%019%0.185CC..Hα-helixtrans-66.6-42.2179.4-67.5176.1000111.2L248 M250 Y274 L318 F320 A367 C369 Y375 L379L248-L371 HydrophobicContact CD2-CD2 4.17Å; M250-L371 HydrophobicContact CE-CD1 4.46Å; M250-L371 HydrophobicContact CE-CD2 4.16Å; M250-L371 HydrophobicContact CE-CG 4.13Å; M250-L371 HydrophobicContact CG-CD1 4.1Å; M250-L371 HydrophobicContact SD-CD1 4.36Å; M250-L371 HydrophobicContact SD-CD2 4.2Å; M250-L371 HydrophobicContact SD-CG 4.46Å; Y274-L371 HydrophobicContact CE1-CD2 4.06Å; L318-L371 HydrophobicContact CD1-CB 4.3Å; L318-L371 HydrophobicContact CD1-CD1 4.31Å; L318-L371 HydrophobicContact CD1-CD2 3.97Å; L318-L371 HydrophobicContact CD1-CG 4.42Å; L318-L371 HydrophobicContact CD2-CD1 3.98Å; F320-L371 HydrophobicContact CD1-CD1 4.15Å; F320-L371 HydrophobicContact CD2-CD1 4.41Å; F320-L371 HydrophobicContact CE1-CD1 4.35Å; F320-L371 HydrophobicContact CG-CD1 4.18Å; A367-L371 VanDerWaalsContact O-CB 3.29Å; A367-L371 WeakPolarHBondContact O-CB 3.47Å; A367-L371 WeakPolarHBondContact O-CG 3.43Å; A367-L371 PolarHBondContact O-N 3.22Å; C369-L371 PolarHBondContact O-N 3.5Å; L371-Y375 HydrophobicContact CD2-CE2 4.12Å; L371-Y375 VanDerWaalsContact O-CD2 3.24Å; L371-Y375 WeakPolarHBondContact O-CD2 3.45Å; L371-Y375 PolarHBondContact O-N 3.38Å; L371-Y375 VanDerWaalsContact O-N 3.13Å; L371-L379 HydrophobicContact CB-CD1 4Å; L371-L379 HydrophobicContact CB-CD2 4.09Å
372Y98.9Very high98.9Very high47 Ų4738.9 Ų38.918%0.18418%0.175CC..Hα-helixtrans-71.1-43.3-177.8-168.2-114.7000112.5L368 C369 R374 Y375 Q376 R377 L379 G422 V423 D424L368-Y372 WeakPolarHBondContact O-CB 3.36Å; L368-Y372 PolarHBondContact O-N 2.94Å; C369-Y372 PolarHBondContact O-N 3.36Å; Y372-R374 VanDerWaalsContact C-N 3.3Å; Y372-R374 PolarHBondContact O-N 2.93Å; Y372-Y375 PolarHBondContact O-N 3.48Å; Y372-Q376 WeakPolarHBondContact O-CA 3.48Å; Y372-Q376 PolarHBondContact O-N 3.31Å; Y372-Q376 PolarHBondContact O-NE2 3.4Å; Y372-R377 WeakPolarHBondContact CD2-O 3.22Å; Y372-L379 HydrophobicContact CD2-CG 4.41Å; Y372-G422 WeakPolarHBondContact CE1-O 3.43Å; Y372-V423 HydrophobicContact CD1-CB 4.36Å; Y372-V423 HydrophobicContact CD1-CG2 4.15Å; Y372-V423 HydrophobicContact CD2-CG1 4.27Å; Y372-V423 HydrophobicContact CG-CB 4.32Å; Y372-V423 HydrophobicContact CG-CG1 4Å; Y372-V423 HydrophobicContact CG-CG2 4.22Å; Y372-D424 HydrophobicContact CD2-CB 4.38Å; Y372-D424 HydrophobicContact CE2-CB 3.48Å; Y372-D424 VanDerWaalsContact CE2-CB 3.48Å
373E98.9Very high98.9Very high137 Ų13735.5 Ų35.564%0.6415%0.154SC*.Hα-helixtrans-63.8-37.1176.2-70.8177.5-147.900111.3C369C369-E373 WeakPolarHBondContact O-CB 3.33Å; C369-E373 VanDerWaalsContact O-CG 3.31Å; C369-E373 WeakPolarHBondContact O-CG 3.03Å; C369-E373 PolarHBondContact O-N 2.8Å
374R98.9Very high98.9Very high69 Ų6935.5 Ų35.526%0.2615%0.154SC..Hα-helixtrans-70.1-38.5179.7-175.7175.6-175.192.90.3113.9D278 R282 E370 Y372D278-R374 IonicContact OD1-CZ 2.84Å; D278-R374 IonicContact OD1-NE 3.25Å; D278-R374 PolarHBondContact OD1-NE 3.2Å; D278-R374 VanDerWaalsContact OD1-NE 3.15Å; D278-R374 IonicContact OD1-NH2 3.97Å; D278-R374 PolarHBondContact OD1-NH2 3.2Å; D278-R374 IonicContact OD2-CZ 2.77Å; D278-R374 IonicContact OD2-NH2 2.69Å; D278-R374 PolarHBondContact OD2-NH2 3.4Å; R282-R374 PolarHBondContact NH2-O 2.97Å; E370-R374 WeakPolarHBondContact O-CB 3.26Å; E370-R374 PolarHBondContact O-N 2.8Å; E370-R374 VanDerWaalsContact O-N 3.07Å; Y372-R374 VanDerWaalsContact C-N 3.3Å; Y372-R374 PolarHBondContact O-N 2.93Å
375Y98.9Very high98.9Very high22 Ų2235.7 Ų35.79%0.08616%0.156CC..Hα-helixtrans-115.7-25.9-168.1-61.5-60.2000114.8Y274 T277 D278 L281 R282 L318 L371 Y372 R377Y274-Y375 PolarHBondContact O-OH 3.09Å; T277-Y375 VanDerWaalsContact CB-OH 3.29Å; T277-Y375 WeakPolarHBondContact CB-OH 3.37Å; T277-Y375 PolarHBondContact OG1-OH 3.27Å; D278-Y375 PolarHBondContact N-OH 2.84Å; D278-Y375 WeakPolarHBondContact OD1-CE1 3.34Å; D278-Y375 PolarHBondContact OD1-OH 2.84Å; L281-Y375 HydrophobicContact CB-CD1 4.26Å; L281-Y375 HydrophobicContact CD1-CD1 4.16Å; L281-Y375 HydrophobicContact CD1-CD2 4Å; L281-Y375 HydrophobicContact CD1-CE2 4.42Å; L281-Y375 HydrophobicContact CD1-CG 3.86Å; R282-Y375 HydrophobicContact CG-CD1 4.4Å; R282-Y375 HydrophobicContact CG-CE1 4.38Å; L318-Y375 HydrophobicContact CD1-CD2 3.77Å; L318-Y375 HydrophobicContact CD1-CE2 3.98Å; L371-Y375 HydrophobicContact CD2-CE2 4.12Å; L371-Y375 VanDerWaalsContact O-CD2 3.24Å; L371-Y375 WeakPolarHBondContact O-CD2 3.45Å; L371-Y375 PolarHBondContact O-N 3.38Å; L371-Y375 VanDerWaalsContact O-N 3.13Å; Y372-Y375 PolarHBondContact O-N 3.48Å; Y375-R377 PolarHBondContact O-N 3.47Å
376Q98.9Very high98.9Very high113 Ų11333.9 Ų33.953%0.52815%0.15SC..  trans50.343.1-174-67.8-72.9-77.300111.9Y372Y372-Q376 WeakPolarHBondContact O-CA 3.48Å; Y372-Q376 PolarHBondContact O-N 3.31Å; Y372-Q376 PolarHBondContact O-NE2 3.4Å
377R98.9Very high98.8Very high104 Ų10430.4 Ų30.439%0.39214%0.138SC..SBendtrans-121149.5176.4-64.7-76.862.2-153.2-13.7110.1Y372 Y375 L379Y372-R377 WeakPolarHBondContact CD2-O 3.22Å; Y375-R377 PolarHBondContact O-N 3.47Å; R377-L379 PolarHBondContact O-N 3.25Å
378P98.9Very high98.7Very high23 Ų2330.7 Ų30.715%0.14914%0.141CC..  trans-54.5137.5174.3-20.629.7000110.3Y317 L318 D424 M426Y317-P378 WeakPolarHBondContact CA-O 3.42Å; Y317-P378 WeakPolarHBondContact CB-O 3.03Å; L318-P378 PolarHBondContact N-O 2.79Å; P378-D424 WeakPolarHBondContact CG-OD2 3.16Å; P378-M426 HydrophobicContact CB-CG 3.89Å; P378-M426 HydrophobicContact CB-SD 3.85Å
379L98.9Very high98.7Very high0 Ų036.8 Ų36.80%017%0.165CC..EExtended strand (participates in β ladder)trans-101.5158.1175.1-55.1-170.9000110L318 F320 L368 L371 Y372 R377 V423 D424 L425 M426L318-L379 HydrophobicContact CB-CD2 3.79Å; L318-L379 HydrophobicContact CD1-CD2 4.19Å; L318-L379 HydrophobicContact CD2-CD2 4.4Å; L318-L379 HydrophobicContact CG-CD2 4.36Å; L318-L379 CarbonylContact O-C 3.57Å; L318-L379 WeakPolarHBondContact O-CA 3.35Å; F320-L379 HydrophobicContact CE1-CB 4.24Å; F320-L379 HydrophobicContact CE1-CD1 4.46Å; L368-L379 HydrophobicContact CB-CD1 4.49Å; L368-L379 HydrophobicContact CD2-CB 4.44Å; L368-L379 HydrophobicContact CD2-CD1 3.74Å; L368-L379 WeakPolarHBondContact O-CD1 3.37Å; L371-L379 HydrophobicContact CB-CD1 4Å; L371-L379 HydrophobicContact CB-CD2 4.09Å; Y372-L379 HydrophobicContact CD2-CG 4.41Å; R377-L379 PolarHBondContact O-N 3.25Å; L379-V423 HydrophobicContact CD1-CG1 3.79Å; L379-V423 HydrophobicContact CG-CG1 4.32Å; L379-D424 PolarHBondContact N-O 3.07Å; L379-L425 HydrophobicContact CB-CD1 3.98Å; L379-M426 WeakPolarHBondContact O-CB 3.36Å; L379-M426 WeakPolarHBondContact O-CG 3.44Å; L379-M426 PolarHBondContact O-N 3.11Å
380F99Very high98.6Very high0 Ų037 Ų370%017%0.165CC..EExtended strand (participates in β ladder)trans-144.7116.9171.3-159.5-18.3000108.8L19 V135 Y317 L318 G319 F320 V382 M426 G427 T429L19-F380 HydrophobicContact CB-CZ 4.13Å; L19-F380 HydrophobicContact CD1-CE2 4.18Å; L19-F380 HydrophobicContact CD1-CZ 4.22Å; V135-F380 HydrophobicContact CG1-CE2 4.22Å; V135-F380 HydrophobicContact CG2-CE2 4.11Å; V135-F380 HydrophobicContact CG2-CZ 4.2Å; Y317-F380 HydrophobicContact CD2-CB 4.02Å; Y317-F380 HydrophobicContact CE2-CB 4.04Å; Y317-F380 AromaticContact CE2-CD2 3.96Å; Y317-F380 HydrophobicContact CE2-CD2 3.96Å; Y317-F380 HydrophobicContact CE2-CG 4.5Å; L318-F380 PolarHBondContact O-N 3.38Å; G319-F380 CarbonylContact C-O 3.53Å; G319-F380 VanDerWaalsContact CA-O 3.3Å; G319-F380 WeakPolarHBondContact CA-O 3.12Å; F320-F380 PolarHBondContact N-O 3.48Å; F380-V382 HydrophobicContact CB-CG1 3.89Å; F380-V382 HydrophobicContact CD1-CG1 3.75Å; F380-V382 HydrophobicContact CD2-CG1 4.07Å; F380-V382 HydrophobicContact CE1-CG1 4.3Å; F380-V382 HydrophobicContact CG-CG1 3.62Å; F380-V382 PolarHBondContact O-N 3.15Å; F380-M426 HydrophobicContact CB-CB 4.29Å; F380-M426 HydrophobicContact CB-SD 4.38Å; F380-M426 HydrophobicContact CD2-CB 4.07Å; F380-M426 HydrophobicContact CD2-CE 3.92Å; F380-M426 HydrophobicContact CD2-SD 4.26Å; F380-M426 HydrophobicContact CE2-CE 4.34Å; F380-M426 HydrophobicContact CG-CB 4.08Å; F380-G427 WeakPolarHBondContact CD1-O 3.46Å; F380-G427 VanDerWaalsContact CE1-C 3.44Å; F380-T429 HydrophobicContact CE1-CG2 4.12Å; F380-T429 HydrophobicContact CZ-CG2 4.38Å
381I99Very high98.6Very high0 Ų040.7 Ų40.70%018%0.18CC..EExtended strand (participates in β ladder)trans-7794.6171-60.6158.3000107.4F320 L364 L368 N384 M414 L425 G427 Y428 T429F320-I381 HydrophobicContact CE1-CG1 3.72Å; F320-I381 HydrophobicContact CE2-CG1 4.11Å; F320-I381 HydrophobicContact CZ-CB 4.5Å; F320-I381 HydrophobicContact CZ-CD1 4.37Å; F320-I381 HydrophobicContact CZ-CG1 3.42Å; F320-I381 VanDerWaalsContact CZ-CG1 3.42Å; L364-I381 HydrophobicContact CD1-CD1 3.88Å; L364-I381 HydrophobicContact CD1-CG1 4.21Å; L364-I381 HydrophobicContact CD2-CD1 4.13Å; L364-I381 HydrophobicContact CG-CD1 4.38Å; L368-I381 HydrophobicContact CD1-CD1 4.23Å; L368-I381 HydrophobicContact CD2-CD1 4.23Å; L368-I381 HydrophobicContact CD2-CG1 4.28Å; I381-N384 HydrophobicContact CG2-CB 4.07Å; I381-M414 HydrophobicContact CD1-CB 4.43Å; I381-M414 HydrophobicContact CD1-CG 3.72Å; I381-M414 HydrophobicContact CD1-SD 3.75Å; I381-L425 HydrophobicContact CD1-CD1 4.16Å; I381-L425 HydrophobicContact CD1-CD2 3.86Å; I381-L425 HydrophobicContact CG1-CD1 4Å; I381-G427 PolarHBondContact N-O 3.39Å; I381-Y428 HydrophobicContact CB-CD2 3.86Å; I381-Y428 HydrophobicContact CD1-CD2 4Å; I381-Y428 HydrophobicContact CG2-CD2 3.56Å; I381-Y428 HydrophobicContact CG2-CE2 3.9Å; I381-Y428 WeakPolarHBondContact O-CA 3.44Å; I381-T429 PolarHBondContact O-N 2.95Å
382V98.9Very high98.6Very high0 Ų043.7 Ų43.70%020%0.198CC..EExtended strand (participates in β ladder)trans-91.8-7.8-175.3-60.70000112.7A23 R95 M182 M247 F320 F380 T429A23-V382 WeakPolarHBondContact CB-O 3.2Å; R95-V382 PolarHBondContact NH1-O 2.96Å; M182-V382 HydrophobicContact CE-CB 4.08Å; M182-V382 HydrophobicContact CE-CG1 3.77Å; M182-V382 HydrophobicContact CE-CG2 4.24Å; M182-V382 HydrophobicContact SD-CB 4.28Å; M182-V382 HydrophobicContact SD-CG1 3.87Å; M182-V382 HydrophobicContact SD-CG2 3.91Å; M247-V382 HydrophobicContact CE-CG2 3.74Å; M247-V382 HydrophobicContact CG-CG2 3.87Å; F320-V382 PolarHBondContact O-N 3.42Å; F380-V382 HydrophobicContact CB-CG1 3.89Å; F380-V382 HydrophobicContact CD1-CG1 3.75Å; F380-V382 HydrophobicContact CD2-CG1 4.07Å; F380-V382 HydrophobicContact CE1-CG1 4.3Å; F380-V382 HydrophobicContact CG-CG1 3.62Å; F380-V382 PolarHBondContact O-N 3.15Å; V382-T429 CarbonylContact C-O 3.54Å; V382-T429 VanDerWaalsContact C-OG1 3.24Å; V382-T429 VanDerWaalsContact CA-OG1 3.24Å; V382-T429 WeakPolarHBondContact CA-OG1 3.23Å; V382-T429 PolarHBondContact O-OG1 3.11Å
383E98.9Very high98.6Very high6 Ų644.5 Ų44.53%0.02820%0.204CC..EExtended strand (participates in β ladder)trans-149.5137.5166.3-54.2-177.2-161.500111.6R95 H140 N185 M247 F320 S321 Y322 Y323 W431R95-E383 IonicContact CZ-OE1 3.77Å; R95-E383 VanDerWaalsContact NH1-CD 3.28Å; R95-E383 IonicContact NH1-OE1 2.76Å; R95-E383 PolarHBondContact NH1-OE1 3.41Å; R95-E383 IonicContact NH2-OE1 3.86Å; H140-E383 IonicContact CE1-OE1 2.76Å; N185-E383 PolarHBondContact OD1-OE1 3.05Å; M247-E383 HydrophobicContact CE-CG 4.08Å; M247-E383 WeakPolarHBondContact CE-OE1 3.32Å; F320-E383 PolarHBondContact O-N 3.2Å; S321-E383 WeakPolarHBondContact CA-O 3.34Å; Y322-E383 PolarHBondContact N-O 3.11Å; Y323-E383 HydrophobicContact CE2-CB 4.19Å; Y323-E383 WeakPolarHBondContact OH-CB 3.33Å; Y323-E383 PolarHBondContact OH-OE2 3.23Å; E383-W431 HydrophobicContact CB-CB 4.17Å; E383-W431 HydrophobicContact CG-CE3 3.8Å; E383-W431 HydrophobicContact CG-CZ3 4.45Å
384N98.9Very high98.5Very high0 Ų047.9 Ų47.90%022%0.219CC..  trans-160144163.3173.7-115.6000108.1Y322 I381 Y406 Y428 P430 W431Y322-N384 VanDerWaalsContact O-CA 3.29Å; Y322-N384 WeakPolarHBondContact O-CA 3.19Å; Y322-N384 PolarHBondContact O-ND2 3.1Å; I381-N384 HydrophobicContact CG2-CB 4.07Å; N384-Y406 PolarHBondContact ND2-OH 2.73Å; N384-Y406 VanDerWaalsContact ND2-OH 3.09Å; N384-Y428 HydrophobicContact CB-CE2 3.61Å; N384-Y428 PolarHBondContact OD1-OH 3.33Å; N384-P430 CarbonylContact O-C 2.82Å; N384-P430 WeakPolarHBondContact O-CA 3.22Å; N384-W431 PolarHBondContact O-N 3.5Å
385G98.4Very high98.5Very high5 Ų550.6 Ų50.65%0.05224%0.239CC..  trans177.3168.1-179.300000114.8Y323 Y406Y323-G385 WeakPolarHBondContact CD1-O 3.32Å; G385-Y406 VanDerWaalsContact C-CE1 3.47Å; G385-Y406 WeakPolarHBondContact O-CE1 3.11Å; G385-Y406 PolarHBondContact O-OH 3.09Å
386F98.6Very high98.4Very high25 Ų2551.2 Ų51.211%0.1125%0.252CS..  trans-121.5108.8-178.4-170.5-109.3000110.5I359 A388 Y402 R403 Y406I359-F386 HydrophobicContact CD1-CE2 3.66Å; I359-F386 HydrophobicContact CD1-CZ 4.29Å; I359-F386 HydrophobicContact CG1-CE2 4.11Å; F386-A388 HydrophobicContact CD1-CB 3.93Å; F386-A388 HydrophobicContact CE1-CB 3.72Å; F386-Y402 AromaticContact CD1-CD2 3.87Å; F386-Y402 HydrophobicContact CD1-CD2 3.87Å; F386-Y402 AromaticContact CE1-CD2 3.77Å; F386-Y402 HydrophobicContact CE1-CD2 3.77Å; F386-Y402 HydrophobicContact CE1-CG 4.43Å; F386-R403 HydrophobicContact CB-CG 4.47Å; F386-Y406 HydrophobicContact CB-CD1 3.71Å; F386-Y406 HydrophobicContact CB-CD2 4Å; F386-Y406 HydrophobicContact CB-CE1 4.27Å; F386-Y406 HydrophobicContact CB-CG 3.57Å; F386-Y406 AromaticContact CD2-CD2 3.45Å; F386-Y406 HydrophobicContact CD2-CD2 3.45Å; F386-Y406 VanDerWaalsContact CD2-CD2 3.45Å; F386-Y406 AromaticContact CD2-CE2 3.97Å; F386-Y406 HydrophobicContact CD2-CE2 3.97Å; F386-Y406 AromaticContact CD2-CG 3.88Å; F386-Y406 HydrophobicContact CD2-CG 3.88Å; F386-Y406 HydrophobicContact CE2-CD2 4.26Å; F386-Y406 HydrophobicContact CG-CD2 4.02Å; F386-Y406 AromaticContact CG-CG 3.95Å; F386-Y406 HydrophobicContact CG-CG 3.95Å
387G97.2Very high98.4Very high6 Ų647.5 Ų47.56%0.06224%0.238CC..  trans-83.1115.1177.900000110.8R447 Y448G387-R447 WeakPolarHBondContact CA-O 3.43Å; G387-Y448 VanDerWaalsContact CA-CZ 3.47Å
388A97.6Very high98.4Very high7 Ų742.6 Ų42.66%0.05822%0.22CC..BIsolated β-bridgetrans-143.9168.9-17900000111.4F386 Y402 R447F386-A388 HydrophobicContact CD1-CB 3.93Å; F386-A388 HydrophobicContact CE1-CB 3.72Å; A388-Y402 HydrophobicContact CB-CD2 3.9Å; A388-Y402 HydrophobicContact CB-CE2 3.55Å; A388-R447 PolarHBondContact N-O 3.46Å; A388-R447 VanDerWaalsContact N-O 3.12Å; A388-R447 PolarHBondContact O-N 2.9Å
389Y97.8Very high98.4Very high128 Ų12845.1 Ų45.150%0.50223%0.232SC..  trans-75.8137.2167.8-62.9-72.1000110.3W355 Y402 S445W355-Y389 HydrophobicContact CH2-CD1 4.04Å; W355-Y389 AromaticContact CH2-CD2 3.92Å; W355-Y389 HydrophobicContact CH2-CD2 3.92Å; W355-Y389 AromaticContact CH2-CE1 3.65Å; W355-Y389 HydrophobicContact CH2-CE1 3.65Å; W355-Y389 AromaticContact CH2-CE2 3.52Å; W355-Y389 HydrophobicContact CH2-CE2 3.52Å; W355-Y389 HydrophobicContact CH2-CG 4.17Å; W355-Y389 AromaticContact CH2-CZ 3.38Å; W355-Y389 HydrophobicContact CZ2-CE1 4.2Å; W355-Y389 HydrophobicContact CZ2-CE2 4.34Å; W355-Y389 AromaticContact CZ2-CZ 3.86Å; W355-Y389 HydrophobicContact CZ3-CD2 4.06Å; W355-Y389 AromaticContact CZ3-CE2 3.87Å; W355-Y389 HydrophobicContact CZ3-CE2 3.87Å; Y389-Y402 PolarHBondContact O-OH 3.02Å; Y389-S445 WeakPolarHBondContact CD1-O 3.26Å
390D98.4Very high98.4Very high21 Ų2145.1 Ų45.111%0.11223%0.232CC..  trans-103138168.2-70.9-63.5000110.8I398 Y402 R403 R447 Y452 K468D390-I398 HydrophobicContact CB-CG2 3.85Å; D390-I398 WeakPolarHBondContact OD1-CG2 3.22Å; D390-Y402 PolarHBondContact OD1-OH 3.11Å; D390-R403 IonicContact OD1-CZ 2.85Å; D390-R403 IonicContact OD1-NH2 2.68Å; D390-R403 PolarHBondContact OD1-NH2 3.31Å; D390-R403 IonicContact OD2-CZ 3.28Å; D390-R403 IonicContact OD2-NH1 3.37Å; D390-R403 IonicContact OD2-NH2 2.81Å; D390-R403 PolarHBondContact OD2-NH2 2.63Å; D390-R447 WeakPolarHBondContact OD2-CB 3.38Å; D390-R447 WeakPolarHBondContact OD2-CD 3.49Å; D390-Y452 HydrophobicContact CB-CD2 4.33Å; D390-Y452 HydrophobicContact CB-CE2 4.31Å; D390-K468 IonicContact OD1-NZ 2.8Å; D390-K468 WeakPolarHBondContact OD2-CE 3.47Å; D390-K468 IonicContact OD2-NZ 2.65Å; D390-K468 PolarHBondContact OD2-NZ 3.4Å
391K98.3Very high98.4Very high142 Ų14248.1 Ų48.162%0.61725%0.248SC*.  trans-106.5128.2167.8-173.3-173.4173.7-151.70108.9E393K391-E393 IonicContact NZ-OE2 2.83Å; K391-E393 PolarHBondContact NZ-OE2 3.02Å
392V98.4Very high98.3Very high62 Ų6251.7 Ų51.738%0.37626%0.262SS..  trans-83.4122.2169.2-173.10000107.6I398 Y452V392-I398 HydrophobicContact CB-CG1 4.41Å; V392-I398 HydrophobicContact CG2-CD1 4.15Å; V392-I398 HydrophobicContact CG2-CG1 4.03Å; V392-Y452 HydrophobicContact CG2-CE1 4.02Å; V392-Y452 HydrophobicContact CG2-CE2 4.06Å
393E98.5Very high98.3Very high65 Ų6551.7 Ų51.730%0.30426%0.262SS..  trans-75.3170.9176.3-55.7-58.3171.200111.3K391 D395 G396 S397K391-E393 IonicContact NZ-OE2 2.83Å; K391-E393 PolarHBondContact NZ-OE2 3.02Å; E393-D395 PolarHBondContact O-N 3.32Å; E393-G396 PolarHBondContact O-N 3.05Å; E393-S397 PolarHBondContact N-O 3.08Å
394E97.7Very high98.3Very high208 Ų20851.7 Ų51.797%0.97226%0.262SS*.THydrogen-bonded Turntrans-59.6-28.9-178-66.6-177.1-179.100113.6G396E394-G396 VanDerWaalsContact C-N 3.3Å
395D98.1Very high98.3Very high126 Ų12655.9 Ų55.967%0.67429%0.285SS*.THydrogen-bonded Turntrans-85.40.7176.872-15.6000113.6E393 S397E393-D395 PolarHBondContact O-N 3.32Å; D395-S397 VanDerWaalsContact C-N 3.31Å; D395-S397 WeakPolarHBondContact OD1-CB 3.3Å; D395-S397 PolarHBondContact OD1-N 3.29Å; D395-S397 PolarHBondContact OD1-OG 3.04Å; D395-S397 PolarHBondContact OD2-OG 2.96Å
396G97.8Very high98.3Very high34 Ų3456.2 Ų56.235%0.35128%0.284SS..SBendtrans83.8-1.1-176.400000114.6E393 E394E393-G396 PolarHBondContact O-N 3.05Å; E394-G396 VanDerWaalsContact C-N 3.3Å
397S98.3Very high98.4Very high35 Ų3555.1 Ų55.125%0.24528%0.28CS..  trans-74.4157.8174.871.90000111.7E393 D395E393-S397 PolarHBondContact N-O 3.08Å; D395-S397 VanDerWaalsContact C-N 3.31Å; D395-S397 WeakPolarHBondContact OD1-CB 3.3Å; D395-S397 PolarHBondContact OD1-N 3.29Å; D395-S397 PolarHBondContact OD1-OG 3.04Å; D395-S397 PolarHBondContact OD2-OG 2.96Å
398I98.8Very high98.4Very high2 Ų258 Ų581%0.0129%0.289CS..  trans-130.3112.4175.9-63.8150.5000107.5D390 V392 D400 Y452 K468 K469D390-I398 HydrophobicContact CB-CG2 3.85Å; D390-I398 WeakPolarHBondContact OD1-CG2 3.22Å; V392-I398 HydrophobicContact CB-CG1 4.41Å; V392-I398 HydrophobicContact CG2-CD1 4.15Å; V392-I398 HydrophobicContact CG2-CG1 4.03Å; I398-D400 HydrophobicContact CG2-CB 4.4Å; I398-D400 PolarHBondContact O-N 3.27Å; I398-Y452 HydrophobicContact CD1-CD1 3.97Å; I398-Y452 HydrophobicContact CD1-CD2 3.44Å; I398-Y452 VanDerWaalsContact CD1-CD2 3.44Å; I398-Y452 HydrophobicContact CD1-CE2 4.17Å; I398-Y452 HydrophobicContact CD1-CG 3.3Å; I398-K468 HydrophobicContact CB-CB 4.21Å; I398-K468 HydrophobicContact CB-CG 4.02Å; I398-K468 HydrophobicContact CD1-CG 3.95Å; I398-K468 HydrophobicContact CG2-CB 4.28Å; I398-K468 HydrophobicContact CG2-CD 4Å; I398-K468 HydrophobicContact CG2-CG 3.99Å; I398-K469 WeakPolarHBondContact O-CB 3.47Å; I398-K469 PolarHBondContact O-N 3.33Å
399N98.8Very high98.5Very high75 Ų7559 Ų5940%0.40130%0.297SS..  trans-92.883.2-177.5-65.1-57.6000110.4D401N399-D401 VanDerWaalsContact C-N 3.34Å; N399-D401 PolarHBondContact O-N 3.27Å
400D98.8Very high98.5Very high0 Ų052.9 Ų52.90%027%0.273CS..  trans-95.248.4-176.862.1-20.9000113.2I398 Y402 R403 I404 K468 K469 S470I398-D400 HydrophobicContact CG2-CB 4.4Å; I398-D400 PolarHBondContact O-N 3.27Å; D400-Y402 HydrophobicContact CB-CE1 4.23Å; D400-Y402 HydrophobicContact CB-CE2 3.97Å; D400-Y402 PolarHBondContact O-N 3.21Å; D400-R403 HydrophobicContact CB-CB 4.15Å; D400-R403 VanDerWaalsContact O-CB 3.3Å; D400-R403 WeakPolarHBondContact O-CB 3.21Å; D400-R403 PolarHBondContact O-N 3.47Å; D400-R403 WeakPolarHBondContact OD2-CD 3.45Å; D400-R403 IonicContact OD2-CZ 3.44Å; D400-R403 IonicContact OD2-NE 3.44Å; D400-R403 PolarHBondContact OD2-NE 2.97Å; D400-I404 PolarHBondContact O-N 3.33Å; D400-K468 WeakPolarHBondContact OD2-CB 3.45Å; D400-K468 WeakPolarHBondContact OD2-CD 3.33Å; D400-K469 WeakPolarHBondContact OD1-CB 3.11Å; D400-K469 PolarHBondContact OD1-N 3.15Å; D400-S470 WeakPolarHBondContact OD1-CB 3.47Å; D400-S470 PolarHBondContact OD1-N 2.99Å; D400-S470 PolarHBondContact OD1-OG 2.87Å; D400-S470 WeakPolarHBondContact OD2-CB 3.43Å; D400-S470 PolarHBondContact OD2-OG 3.05Å
401D98.7Very high98.6Very high63 Ų6351.9 Ų51.934%0.33727%0.268SS..Hα-helixtrans-55.4-35179-77.6-41.6000112.6N399 R403 I404 D405 K469N399-D401 VanDerWaalsContact C-N 3.34Å; N399-D401 PolarHBondContact O-N 3.27Å; D401-R403 PolarHBondContact O-N 2.8Å; D401-I404 WeakPolarHBondContact O-CB 3.17Å; D401-I404 PolarHBondContact O-N 2.99Å; D401-D405 WeakPolarHBondContact O-CB 3.19Å; D401-D405 VanDerWaalsContact O-CG 3.31Å; D401-D405 PolarHBondContact O-N 2.66Å; D401-K469 WeakPolarHBondContact OD1-CD 3.44Å; D401-K469 WeakPolarHBondContact OD1-CE 3.35Å; D401-K469 IonicContact OD1-NZ 3.39Å; D401-K469 PolarHBondContact OD1-NZ 3.46Å; D401-K469 IonicContact OD2-NZ 3.11Å; D401-K469 PolarHBondContact OD2-NZ 3.24Å
402Y98.4Very high98.6Very high76 Ų7649.4 Ų49.430%0.29826%0.258SS..Hα-helixtrans-58.4-32.1174.650.2-97.7000113.2F386 A388 Y389 D390 D400 Y406F386-Y402 AromaticContact CD1-CD2 3.87Å; F386-Y402 HydrophobicContact CD1-CD2 3.87Å; F386-Y402 AromaticContact CE1-CD2 3.77Å; F386-Y402 HydrophobicContact CE1-CD2 3.77Å; F386-Y402 HydrophobicContact CE1-CG 4.43Å; A388-Y402 HydrophobicContact CB-CD2 3.9Å; A388-Y402 HydrophobicContact CB-CE2 3.55Å; Y389-Y402 PolarHBondContact O-OH 3.02Å; D390-Y402 PolarHBondContact OD1-OH 3.11Å; D400-Y402 HydrophobicContact CB-CE1 4.23Å; D400-Y402 HydrophobicContact CB-CE2 3.97Å; D400-Y402 PolarHBondContact O-N 3.21Å; Y402-Y406 PolarHBondContact O-N 2.58Å
403R98.8Very high98.6Very high0 Ų047.3 Ų47.30%024%0.244CC..Hα-helixtrans-80.9-41.1178.9-169.5-173.5-39.8-123.8-14.9110.8F386 D390 D400 D401 D405 Y406 L407 R447 Y448 G449F386-R403 HydrophobicContact CB-CG 4.47Å; D390-R403 IonicContact OD1-CZ 2.85Å; D390-R403 IonicContact OD1-NH2 2.68Å; D390-R403 PolarHBondContact OD1-NH2 3.31Å; D390-R403 IonicContact OD2-CZ 3.28Å; D390-R403 IonicContact OD2-NH1 3.37Å; D390-R403 IonicContact OD2-NH2 2.81Å; D390-R403 PolarHBondContact OD2-NH2 2.63Å; D400-R403 HydrophobicContact CB-CB 4.15Å; D400-R403 VanDerWaalsContact O-CB 3.3Å; D400-R403 WeakPolarHBondContact O-CB 3.21Å; D400-R403 PolarHBondContact O-N 3.47Å; D400-R403 WeakPolarHBondContact OD2-CD 3.45Å; D400-R403 IonicContact OD2-CZ 3.44Å; D400-R403 IonicContact OD2-NE 3.44Å; D400-R403 PolarHBondContact OD2-NE 2.97Å; D401-R403 PolarHBondContact O-N 2.8Å; R403-D405 VanDerWaalsContact C-N 3.32Å; R403-D405 PolarHBondContact O-N 2.95Å; R403-Y406 PolarHBondContact O-N 3.37Å; R403-L407 HydrophobicContact CG-CD1 4.13Å; R403-L407 WeakPolarHBondContact O-CB 3.43Å; R403-L407 VanDerWaalsContact O-CG 3.3Å; R403-L407 WeakPolarHBondContact O-CG 3.34Å; R403-L407 PolarHBondContact O-N 3.5Å; R403-R447 PolarHBondContact NH1-O 3.18Å; R403-Y448 PolarHBondContact NH1-O 3.36Å; R403-G449 PolarHBondContact NH1-O 2.86Å
404I98.9Very high98.6Very high6 Ų644.2 Ų44.23%0.03123%0.23CC..Hα-helixtrans-56.5-49.3172.3-67177.1000109.7D400 D401 Y406 L407 R408 K469 W473D400-I404 PolarHBondContact O-N 3.33Å; D401-I404 WeakPolarHBondContact O-CB 3.17Å; D401-I404 PolarHBondContact O-N 2.99Å; I404-Y406 PolarHBondContact O-N 3.3Å; I404-L407 PolarHBondContact O-N 3.39Å; I404-R408 VanDerWaalsContact CG2-NH2 3.31Å; I404-R408 WeakPolarHBondContact O-CB 3.14Å; I404-R408 PolarHBondContact O-N 3.44Å; I404-K469 HydrophobicContact CD1-CB 4.38Å; I404-K469 HydrophobicContact CD1-CD 4.23Å; I404-K469 HydrophobicContact CD1-CG 3.93Å; I404-W473 HydrophobicContact CB-CD2 4.34Å; I404-W473 HydrophobicContact CB-CG 4.49Å; I404-W473 HydrophobicContact CD1-CB 3.9Å; I404-W473 HydrophobicContact CD1-CG 4.08Å; I404-W473 HydrophobicContact CG1-CB 4.22Å; I404-W473 HydrophobicContact CG1-CD2 4.07Å; I404-W473 HydrophobicContact CG1-CE3 4.23Å; I404-W473 HydrophobicContact CG1-CG 4.03Å; I404-W473 HydrophobicContact CG2-CD2 3.75Å; I404-W473 HydrophobicContact CG2-CE3 4.48Å; I404-W473 HydrophobicContact CG2-CG 3.76Å; I404-W473 HydrophobicContact CG2-CZ2 4.35Å
405D98.7Very high98.7Very high87 Ų8735.7 Ų35.747%0.46519%0.19SC..Hα-helixtrans-64.5-41-177.4-72.2-15.8000112.4D401 R403 R408 A409D401-D405 WeakPolarHBondContact O-CB 3.19Å; D401-D405 VanDerWaalsContact O-CG 3.31Å; D401-D405 PolarHBondContact O-N 2.66Å; R403-D405 VanDerWaalsContact C-N 3.32Å; R403-D405 PolarHBondContact O-N 2.95Å; D405-R408 IonicContact OD1-CZ 3.43Å; D405-R408 IonicContact OD1-NE 3.86Å; D405-R408 IonicContact OD1-NH2 3.28Å; D405-R408 PolarHBondContact OD1-NH2 3.22Å; D405-A409 WeakPolarHBondContact O-CB 3.42Å; D405-A409 PolarHBondContact O-N 3.03Å; D405-A409 VanDerWaalsContact O-N 3.07Å
406Y98.8Very high98.7Very high12 Ų1233.9 Ų33.95%0.04718%0.175CC..Hα-helixtrans-58.9-53.8172.8176.3-83.5000111.3Y323 I359 N384 G385 F386 Y402 R403 I404 A409 H410Y323-Y406 WeakPolarHBondContact CA-OH 3.48Å; Y323-Y406 PolarHBondContact O-OH 3.28Å; I359-Y406 HydrophobicContact CG1-CD2 4.39Å; I359-Y406 HydrophobicContact CG1-CE2 4.5Å; I359-Y406 HydrophobicContact CG2-CD2 3.77Å; I359-Y406 HydrophobicContact CG2-CE2 4.07Å; N384-Y406 PolarHBondContact ND2-OH 2.73Å; N384-Y406 VanDerWaalsContact ND2-OH 3.09Å; G385-Y406 VanDerWaalsContact C-CE1 3.47Å; G385-Y406 WeakPolarHBondContact O-CE1 3.11Å; G385-Y406 PolarHBondContact O-OH 3.09Å; F386-Y406 HydrophobicContact CB-CD1 3.71Å; F386-Y406 HydrophobicContact CB-CD2 4Å; F386-Y406 HydrophobicContact CB-CE1 4.27Å; F386-Y406 HydrophobicContact CB-CG 3.57Å; F386-Y406 AromaticContact CD2-CD2 3.45Å; F386-Y406 HydrophobicContact CD2-CD2 3.45Å; F386-Y406 VanDerWaalsContact CD2-CD2 3.45Å; F386-Y406 AromaticContact CD2-CE2 3.97Å; F386-Y406 HydrophobicContact CD2-CE2 3.97Å; F386-Y406 AromaticContact CD2-CG 3.88Å; F386-Y406 HydrophobicContact CD2-CG 3.88Å; F386-Y406 HydrophobicContact CE2-CD2 4.26Å; F386-Y406 HydrophobicContact CG-CD2 4.02Å; F386-Y406 AromaticContact CG-CG 3.95Å; F386-Y406 HydrophobicContact CG-CG 3.95Å; Y402-Y406 PolarHBondContact O-N 2.58Å; R403-Y406 PolarHBondContact O-N 3.37Å; I404-Y406 PolarHBondContact O-N 3.3Å; Y406-A409 PolarHBondContact O-N 3.29Å; Y406-H410 AromaticContact CD1-ND1 3.83Å; Y406-H410 AromaticContact CD2-CE1 3.66Å; Y406-H410 AromaticContact CE1-CE1 3.72Å; Y406-H410 AromaticContact CE1-ND1 3.7Å; Y406-H410 AromaticContact CE2-CE1 3.26Å; Y406-H410 WeakPolarHBondContact CE2-CE1 3.39Å; Y406-H410 AromaticContact CE2-ND1 3.97Å; Y406-H410 AromaticContact CE2-NE2 3.88Å; Y406-H410 AromaticContact CZ-CE1 3.28Å; Y406-H410 AromaticContact CZ-ND1 3.77Å; Y406-H410 AromaticContact CZ-NE2 3.61Å; Y406-H410 PolarHBondContact O-N 2.74Å; Y406-H410 PolarHBondContact O-ND1 3.25Å; Y406-H410 PolarHBondContact OH-NE2 2.93Å
407L98.9Very high98.8Very high3 Ų332.2 Ų32.22%0.01616%0.159CC..Hα-helixtrans-66.6-42.5-174.4-67.2169.6000111R403 I404 A409 H410 I411 Y428 P430 F450 W473R403-L407 HydrophobicContact CG-CD1 4.13Å; R403-L407 WeakPolarHBondContact O-CB 3.43Å; R403-L407 VanDerWaalsContact O-CG 3.3Å; R403-L407 WeakPolarHBondContact O-CG 3.34Å; R403-L407 PolarHBondContact O-N 3.5Å; I404-L407 PolarHBondContact O-N 3.39Å; L407-A409 PolarHBondContact O-N 3.41Å; L407-H410 PolarHBondContact O-N 2.8Å; L407-I411 WeakPolarHBondContact O-CB 3.48Å; L407-I411 WeakPolarHBondContact O-CG1 3.47Å; L407-I411 PolarHBondContact O-N 2.89Å; L407-Y428 WeakPolarHBondContact CD2-OH 3.43Å; L407-P430 HydrophobicContact CD2-CB 4.37Å; L407-P430 HydrophobicContact CD2-CG 4.44Å; L407-F450 HydrophobicContact CD1-CE1 3.48Å; L407-F450 VanDerWaalsContact CD1-CE1 3.48Å; L407-F450 HydrophobicContact CD1-CZ 3.77Å; L407-W473 HydrophobicContact CB-CH2 3.45Å; L407-W473 VanDerWaalsContact CB-CH2 3.45Å; L407-W473 HydrophobicContact CB-CZ2 4.49Å; L407-W473 HydrophobicContact CB-CZ3 3.77Å; L407-W473 HydrophobicContact CD1-CH2 4.36Å; L407-W473 HydrophobicContact CD1-CZ3 3.79Å; L407-W473 HydrophobicContact CG-CZ3 4.46Å
408R98.9Very high98.8Very high67 Ų6731.5 Ų31.525%0.25315%0.153SC..Hα-helixtrans-54.8-50.5173.9167.7159.440.5-153.1-2.1111.6I404 D405 H410 I411 E412 W473 L485I404-R408 VanDerWaalsContact CG2-NH2 3.31Å; I404-R408 WeakPolarHBondContact O-CB 3.14Å; I404-R408 PolarHBondContact O-N 3.44Å; D405-R408 IonicContact OD1-CZ 3.43Å; D405-R408 IonicContact OD1-NE 3.86Å; D405-R408 IonicContact OD1-NH2 3.28Å; D405-R408 PolarHBondContact OD1-NH2 3.22Å; R408-H410 VanDerWaalsContact C-N 3.29Å; R408-H410 PolarHBondContact O-N 3.14Å; R408-I411 PolarHBondContact O-N 2.79Å; R408-I411 VanDerWaalsContact O-N 3.17Å; R408-E412 WeakPolarHBondContact O-CG 3.47Å; R408-E412 PolarHBondContact O-N 3.43Å; R408-W473 HydrophobicContact CB-CZ2 3.91Å; R408-L485 HydrophobicContact CG-CB 3.96Å; R408-L485 VanDerWaalsContact NH1-C 3.26Å; R408-L485 PolarHBondContact NH1-O 2.8Å; R408-L485 PolarHBondContact NH1-OXT 3.36Å
409A98.8Very high98.8Very high27 Ų2733.5 Ų33.522%0.22317%0.165CC..Hα-helixtrans-60.1-39.1-179.100000112.4P361 D405 Y406 L407 E413P361-A409 HydrophobicContact CB-CB 3.81Å; P361-A409 WeakPolarHBondContact CB-O 3.48Å; P361-A409 HydrophobicContact CG-CB 4.01Å; D405-A409 WeakPolarHBondContact O-CB 3.42Å; D405-A409 PolarHBondContact O-N 3.03Å; D405-A409 VanDerWaalsContact O-N 3.07Å; Y406-A409 PolarHBondContact O-N 3.29Å; L407-A409 PolarHBondContact O-N 3.41Å; A409-E413 PolarHBondContact O-N 3.38Å
410H98.9Very high98.8Very high0 Ų038.7 Ų38.70%018%0.18CC..Hα-helixtrans-71.8-38.9176.6-71.674.6000112.1Y322 L364 Y406 L407 R408 E412 E413 M414Y322-H410 AromaticContact CD1-CD2 3.75Å; Y322-H410 AromaticContact CE1-CD2 3.51Å; Y322-H410 AromaticContact CE1-NE2 3.44Å; Y322-H410 WeakPolarHBondContact CE1-NE2 3.48Å; L364-H410 HydrophobicContact CD2-CB 3.84Å; L364-H410 WeakPolarHBondContact CD2-O 3.45Å; Y406-H410 AromaticContact CD1-ND1 3.83Å; Y406-H410 AromaticContact CD2-CE1 3.66Å; Y406-H410 AromaticContact CE1-CE1 3.72Å; Y406-H410 AromaticContact CE1-ND1 3.7Å; Y406-H410 AromaticContact CE2-CE1 3.26Å; Y406-H410 WeakPolarHBondContact CE2-CE1 3.39Å; Y406-H410 AromaticContact CE2-ND1 3.97Å; Y406-H410 AromaticContact CE2-NE2 3.88Å; Y406-H410 AromaticContact CZ-CE1 3.28Å; Y406-H410 AromaticContact CZ-ND1 3.77Å; Y406-H410 AromaticContact CZ-NE2 3.61Å; Y406-H410 PolarHBondContact O-N 2.74Å; Y406-H410 PolarHBondContact O-ND1 3.25Å; Y406-H410 PolarHBondContact OH-NE2 2.93Å; L407-H410 PolarHBondContact O-N 2.8Å; R408-H410 VanDerWaalsContact C-N 3.29Å; R408-H410 PolarHBondContact O-N 3.14Å; H410-E412 VanDerWaalsContact C-N 3.31Å; H410-E412 PolarHBondContact O-N 3.06Å; H410-E413 PolarHBondContact O-N 3.36Å; H410-M414 VanDerWaalsContact O-CB 3.27Å; H410-M414 WeakPolarHBondContact O-CB 3.32Å; H410-M414 PolarHBondContact O-N 3.36Å
411I98.9Very high98.8Very high0 Ų041.7 Ų41.70%020%0.196CC..Hα-helixtrans-64.2-37.4176.4-69.1165.7000111W20 L407 R408 M414 K415 Y428 W473 Y474 V477 L485W20-I411 HydrophobicContact CH2-CG2 3.94Å; W20-I411 HydrophobicContact CZ3-CD1 4.27Å; W20-I411 HydrophobicContact CZ3-CG1 4.38Å; W20-I411 HydrophobicContact CZ3-CG2 4.48Å; L407-I411 WeakPolarHBondContact O-CB 3.48Å; L407-I411 WeakPolarHBondContact O-CG1 3.47Å; L407-I411 PolarHBondContact O-N 2.89Å; R408-I411 PolarHBondContact O-N 2.79Å; R408-I411 VanDerWaalsContact O-N 3.17Å; I411-M414 HydrophobicContact CG2-CE 4.13Å; I411-M414 PolarHBondContact O-N 3.09Å; I411-K415 HydrophobicContact CG2-CD 4.14Å; I411-K415 HydrophobicContact CG2-CG 4.4Å; I411-K415 WeakPolarHBondContact O-CB 3.43Å; I411-K415 VanDerWaalsContact O-CG 3.25Å; I411-K415 WeakPolarHBondContact O-CG 3.33Å; I411-K415 PolarHBondContact O-N 3.04Å; I411-Y428 HydrophobicContact CD1-CE1 3.94Å; I411-Y428 HydrophobicContact CG1-CD1 4.37Å; I411-Y428 HydrophobicContact CG1-CE1 3.81Å; I411-W473 HydrophobicContact CD1-CH2 3.77Å; I411-W473 HydrophobicContact CD1-CZ2 4.33Å; I411-Y474 HydrophobicContact CD1-CE2 4.3Å; I411-V477 HydrophobicContact CD1-CG1 4.09Å; I411-L485 HydrophobicContact CB-CD1 4.39Å; I411-L485 HydrophobicContact CB-CD2 4.44Å; I411-L485 HydrophobicContact CG2-CD1 3.84Å; I411-L485 HydrophobicContact CG2-CD2 3.62Å; I411-L485 HydrophobicContact CG2-CG 4.41Å
412E98.9Very high98.8Very high89 Ų8940.9 Ų40.942%0.41620%0.203SC..Hα-helixtrans-60.3-47174.6-73.1176.9162.500112.2R408 H410 K415 K416 L485R408-E412 WeakPolarHBondContact O-CG 3.47Å; R408-E412 PolarHBondContact O-N 3.43Å; H410-E412 VanDerWaalsContact C-N 3.31Å; H410-E412 PolarHBondContact O-N 3.06Å; E412-K415 PolarHBondContact O-N 2.9Å; E412-K416 WeakPolarHBondContact O-CG 3.4Å; E412-K416 PolarHBondContact O-N 2.72Å; E412-K416 VanDerWaalsContact O-N 3.11Å; E412-L485 HydrophobicContact CG-CD1 3.54Å
413E98.9Very high98.8Very high18 Ų1837.6 Ų37.68%0.08419%0.191CC..Hα-helixtrans-71.3-36.5178.9-69.5-57.3136.800112.5P361 V362 R365 A409 H410 K415 K416 A417P361-E413 HydrophobicContact CB-CG 4.1Å; P361-E413 VanDerWaalsContact O-CB 3.27Å; P361-E413 WeakPolarHBondContact O-CB 3.34Å; P361-E413 WeakPolarHBondContact O-CG 3.47Å; V362-E413 HydrophobicContact CG2-CG 4.29Å; R365-E413 HydrophobicContact CB-CB 4.05Å; R365-E413 VanDerWaalsContact CD-OE2 3.3Å; R365-E413 WeakPolarHBondContact CD-OE2 3.34Å; A409-E413 PolarHBondContact O-N 3.38Å; H410-E413 PolarHBondContact O-N 3.36Å; E413-K415 PolarHBondContact O-N 2.91Å; E413-K416 WeakPolarHBondContact O-CB 3.38Å; E413-K416 PolarHBondContact O-N 3.38Å; E413-K416 IonicContact OE1-NZ 3.6Å; E413-K416 PolarHBondContact OE1-NZ 2.63Å; E413-A417 PolarHBondContact O-N 3.4Å
414M98.9Very high98.8Very high0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-58.7-46170.6179.2-166.97700111.5L14 F18 W20 L364 L368 I381 H410 I411 K416 A417 V418 L425 Y428L14-M414 HydrophobicContact CD1-CE 3.94Å; F18-M414 HydrophobicContact CE1-CE 4Å; F18-M414 HydrophobicContact CE1-SD 4.45Å; F18-M414 HydrophobicContact CZ-CE 3.72Å; F18-M414 HydrophobicContact CZ-SD 3.81Å; W20-M414 HydrophobicContact CH2-CE 3.7Å; W20-M414 HydrophobicContact CZ3-CE 4.04Å; L364-M414 HydrophobicContact CD2-CB 4.11Å; L368-M414 HydrophobicContact CD1-CB 4.42Å; L368-M414 HydrophobicContact CD1-CG 4.32Å; I381-M414 HydrophobicContact CD1-CB 4.43Å; I381-M414 HydrophobicContact CD1-CG 3.72Å; I381-M414 HydrophobicContact CD1-SD 3.75Å; H410-M414 VanDerWaalsContact O-CB 3.27Å; H410-M414 WeakPolarHBondContact O-CB 3.32Å; H410-M414 PolarHBondContact O-N 3.36Å; I411-M414 HydrophobicContact CG2-CE 4.13Å; I411-M414 PolarHBondContact O-N 3.09Å; M414-K416 VanDerWaalsContact C-N 3.3Å; M414-K416 PolarHBondContact O-N 3.17Å; M414-A417 WeakPolarHBondContact O-CB 3.46Å; M414-A417 PolarHBondContact O-N 3.31Å; M414-V418 PolarHBondContact O-N 3.2Å; M414-V418 VanDerWaalsContact O-N 3.15Å; M414-L425 HydrophobicContact CG-CD2 3.32Å; M414-L425 HydrophobicContact SD-CD2 3.73Å; M414-Y428 HydrophobicContact SD-CD2 3.78Å; M414-Y428 HydrophobicContact SD-CG 3.8Å
415K98.8Very high98.8Very high30 Ų3041.1 Ų41.113%0.1321%0.21CC..Hα-helixtrans-62.9-37.6177-75.6174.868.3-172.80111.9L14 I411 E412 E413 V418 T419 G482 E483 L485L14-K415 HydrophobicContact CD1-CG 3.97Å; L14-K415 HydrophobicContact CD2-CG 4.28Å; L14-K415 HydrophobicContact CG-CG 4.05Å; I411-K415 HydrophobicContact CG2-CD 4.14Å; I411-K415 HydrophobicContact CG2-CG 4.4Å; I411-K415 WeakPolarHBondContact O-CB 3.43Å; I411-K415 VanDerWaalsContact O-CG 3.25Å; I411-K415 WeakPolarHBondContact O-CG 3.33Å; I411-K415 PolarHBondContact O-N 3.04Å; E412-K415 PolarHBondContact O-N 2.9Å; E413-K415 PolarHBondContact O-N 2.91Å; K415-V418 PolarHBondContact O-N 3.17Å; K415-T419 WeakPolarHBondContact O-CB 3.09Å; K415-T419 PolarHBondContact O-N 3.34Å; K415-T419 PolarHBondContact O-OG1 3.01Å; K415-G482 WeakPolarHBondContact CD-O 3.49Å; K415-G482 WeakPolarHBondContact CE-O 3.41Å; K415-G482 PolarHBondContact NZ-O 3.34Å; K415-E483 VanDerWaalsContact CE-OE1 3.24Å; K415-E483 WeakPolarHBondContact CE-OE1 3.3Å; K415-E483 IonicContact NZ-OE1 3.98Å; K415-E483 PolarHBondContact NZ-OE1 3.35Å; K415-L485 HydrophobicContact CD-CD1 4.46Å
416K98.9Very high98.8Very high87 Ų8738.3 Ų38.338%0.37819%0.194SC..Hα-helixtrans-61.5-48.5173.7-70.9171.9-171169.50110.5E412 E413 M414 V418 T419 Y420 D421E412-K416 WeakPolarHBondContact O-CG 3.4Å; E412-K416 PolarHBondContact O-N 2.72Å; E412-K416 VanDerWaalsContact O-N 3.11Å; E413-K416 WeakPolarHBondContact O-CB 3.38Å; E413-K416 PolarHBondContact O-N 3.38Å; E413-K416 IonicContact OE1-NZ 3.6Å; E413-K416 PolarHBondContact OE1-NZ 2.63Å; M414-K416 VanDerWaalsContact C-N 3.3Å; M414-K416 PolarHBondContact O-N 3.17Å; K416-V418 PolarHBondContact O-N 2.96Å; K416-T419 PolarHBondContact O-N 2.93Å; K416-Y420 WeakPolarHBondContact O-CA 3.21Å; K416-Y420 WeakPolarHBondContact O-CB 3.37Å; K416-Y420 PolarHBondContact O-N 2.61Å; K416-D421 PolarHBondContact O-N 3.3Å
417A98.9Very high98.8Very high0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-52.5-43176.500000112.8R365 L368 E413 M414 D421 G422 V423R365-A417 HydrophobicContact CG-CB 4.18Å; L368-A417 HydrophobicContact CB-CB 3.83Å; L368-A417 HydrophobicContact CD1-CB 3.48Å; L368-A417 VanDerWaalsContact CD1-CB 3.48Å; L368-A417 HydrophobicContact CG-CB 4.28Å; E413-A417 PolarHBondContact O-N 3.4Å; M414-A417 WeakPolarHBondContact O-CB 3.46Å; M414-A417 PolarHBondContact O-N 3.31Å; A417-D421 VanDerWaalsContact CA-OD2 3.27Å; A417-D421 WeakPolarHBondContact CA-OD2 3.42Å; A417-D421 CarbonylContact O-C 3.49Å; A417-D421 WeakPolarHBondContact O-CB 3.47Å; A417-D421 PolarHBondContact O-N 3.41Å; A417-G422 PolarHBondContact O-N 2.87Å; A417-V423 HydrophobicContact CB-CB 4.43Å; A417-V423 HydrophobicContact CB-CG2 4.23Å; A417-V423 WeakPolarHBondContact O-CB 3.12Å; A417-V423 PolarHBondContact O-N 3.12Å
418V98.8Very high98.8Very high20 Ų2037.6 Ų37.612%0.12119%0.191CC..Hα-helixtrans-75.6-54.2-179.8178.30000112.2L14 M414 K415 K416 G422 L425L14-V418 HydrophobicContact CD2-CB 3.78Å; L14-V418 HydrophobicContact CD2-CG1 3.81Å; L14-V418 HydrophobicContact CD2-CG2 3.85Å; M414-V418 PolarHBondContact O-N 3.2Å; M414-V418 VanDerWaalsContact O-N 3.15Å; K415-V418 PolarHBondContact O-N 3.17Å; K416-V418 PolarHBondContact O-N 2.96Å; V418-G422 WeakPolarHBondContact O-CA 3.16Å; V418-G422 PolarHBondContact O-N 3.31Å; V418-L425 HydrophobicContact CG2-CB 3.59Å; V418-L425 HydrophobicContact CG2-CD2 3.85Å; V418-L425 HydrophobicContact CG2-CG 4.36Å
419T98.5Very high98.8Very high43 Ų4334.4 Ų34.426%0.26418%0.179SC..Hα-helixtrans-86.4-19.7-167.660.40000114.2L12 K415 K416L12-T419 HydrophobicContact CB-CG2 4.34Å; L12-T419 WeakPolarHBondContact CD1-O 3.45Å; K415-T419 WeakPolarHBondContact O-CB 3.09Å; K415-T419 PolarHBondContact O-N 3.34Å; K415-T419 PolarHBondContact O-OG1 3.01Å; K416-T419 PolarHBondContact O-N 2.93Å
420Y98.4Very high98.8Very high184 Ų18433.2 Ų33.272%0.72217%0.169SC*.THydrogen-bonded Turntrans-109.5-52.4179.5-178-88.1000111.4R365 K416R365-Y420 VanDerWaalsContact NH2-CD1 3.33Å; K416-Y420 WeakPolarHBondContact O-CA 3.21Å; K416-Y420 WeakPolarHBondContact O-CB 3.37Å; K416-Y420 PolarHBondContact O-N 2.61Å
421D98.7Very high98.8Very high63 Ų6334 Ų3434%0.33717%0.172SC..SBendtrans-82.9-15.6-177.1-50-76.7000113.1R365 K416 A417R365-D421 IonicContact CZ-OD1 3.74Å; R365-D421 IonicContact CZ-OD2 2.7Å; R365-D421 VanDerWaalsContact CZ-OD2 3.26Å; R365-D421 IonicContact NE-OD1 2.72Å; R365-D421 IonicContact NE-OD2 3.51Å; R365-D421 PolarHBondContact NE-OD2 3.23Å; R365-D421 VanDerWaalsContact NH2-CG 3.31Å; R365-D421 IonicContact NH2-OD1 2.7Å; R365-D421 PolarHBondContact NH2-OD1 3.39Å; R365-D421 IonicContact NH2-OD2 3.46Å; R365-D421 PolarHBondContact NH2-OD2 3.1Å; K416-D421 PolarHBondContact O-N 3.3Å; A417-D421 VanDerWaalsContact CA-OD2 3.27Å; A417-D421 WeakPolarHBondContact CA-OD2 3.42Å; A417-D421 CarbonylContact O-C 3.49Å; A417-D421 WeakPolarHBondContact O-CB 3.47Å; A417-D421 PolarHBondContact O-N 3.41Å
422G98.5Very high98.8Very high47 Ų4734 Ų3449%0.48517%0.172SC..  trans82.221.8174.800000114.7Y372 A417 V418Y372-G422 WeakPolarHBondContact CE1-O 3.43Å; A417-G422 PolarHBondContact O-N 2.87Å; V418-G422 WeakPolarHBondContact O-CA 3.16Å; V418-G422 PolarHBondContact O-N 3.31Å
423V98.8Very high98.8Very high7 Ų729.9 Ų29.94%0.04215%0.153CC..  trans-66.5131.6176.9175.20000111L368 Y372 L379 A417 L425L368-V423 HydrophobicContact CB-CG1 4.34Å; L368-V423 HydrophobicContact CB-CG2 4.37Å; L368-V423 HydrophobicContact CD2-CG1 4.3Å; Y372-V423 HydrophobicContact CD1-CB 4.36Å; Y372-V423 HydrophobicContact CD1-CG2 4.15Å; Y372-V423 HydrophobicContact CD2-CG1 4.27Å; Y372-V423 HydrophobicContact CG-CB 4.32Å; Y372-V423 HydrophobicContact CG-CG1 4Å; Y372-V423 HydrophobicContact CG-CG2 4.22Å; L379-V423 HydrophobicContact CD1-CG1 3.79Å; L379-V423 HydrophobicContact CG-CG1 4.32Å; A417-V423 HydrophobicContact CB-CB 4.43Å; A417-V423 HydrophobicContact CB-CG2 4.23Å; A417-V423 WeakPolarHBondContact O-CB 3.12Å; A417-V423 PolarHBondContact O-N 3.12Å; V423-L425 PolarHBondContact O-N 3.29Å
424D98.8Very high98.8Very high74 Ų7429.1 Ų29.140%0.39615%0.15SC..  trans-79.298.3171-176.410.3000110.2Y372 P378 L379Y372-D424 HydrophobicContact CD2-CB 4.38Å; Y372-D424 HydrophobicContact CE2-CB 3.48Å; Y372-D424 VanDerWaalsContact CE2-CB 3.48Å; P378-D424 WeakPolarHBondContact CG-OD2 3.16Å; L379-D424 PolarHBondContact N-O 3.07Å
425L98.9Very high98.8Very high5 Ų529.2 Ų29.23%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-115.4118.9-179-176.865.3000110.7F18 L368 L379 I381 M414 V418 V423F18-L425 HydrophobicContact CE2-CB 4.28Å; F18-L425 HydrophobicContact CE2-CD2 3.8Å; F18-L425 HydrophobicContact CE2-CG 3.81Å; F18-L425 HydrophobicContact CZ-CD2 3.89Å; F18-L425 HydrophobicContact CZ-CG 4.21Å; L368-L425 HydrophobicContact CD2-CD1 3.91Å; L368-L425 HydrophobicContact CD2-CD2 4.4Å; L379-L425 HydrophobicContact CB-CD1 3.98Å; I381-L425 HydrophobicContact CD1-CD1 4.16Å; I381-L425 HydrophobicContact CD1-CD2 3.86Å; I381-L425 HydrophobicContact CG1-CD1 4Å; M414-L425 HydrophobicContact CG-CD2 3.32Å; M414-L425 HydrophobicContact SD-CD2 3.73Å; V418-L425 HydrophobicContact CG2-CB 3.59Å; V418-L425 HydrophobicContact CG2-CD2 3.85Å; V418-L425 HydrophobicContact CG2-CG 4.36Å; V423-L425 PolarHBondContact O-N 3.29Å
426M98.9Very high98.8Very high29 Ų2927.9 Ų27.914%0.14315%0.145CC..EExtended strand (participates in β ladder)trans-70.3-37.7-177.1-64.617259.100113.1L19 Y180 K243 Y317 P378 L379 F380L19-M426 WeakPolarHBondContact CB-O 3.47Å; L19-M426 PolarHBondContact N-O 3.08Å; Y180-M426 HydrophobicContact CD1-CE 3.69Å; Y180-M426 HydrophobicContact CE1-CE 3.7Å; K243-M426 HydrophobicContact CD-CE 4.4Å; Y317-M426 HydrophobicContact CD1-CE 4.29Å; Y317-M426 HydrophobicContact CD1-SD 4.19Å; Y317-M426 HydrophobicContact CD2-SD 3.86Å; Y317-M426 HydrophobicContact CE1-CE 4.46Å; Y317-M426 HydrophobicContact CG-CE 4.3Å; Y317-M426 HydrophobicContact CG-SD 3.65Å; P378-M426 HydrophobicContact CB-CG 3.89Å; P378-M426 HydrophobicContact CB-SD 3.85Å; L379-M426 WeakPolarHBondContact O-CB 3.36Å; L379-M426 WeakPolarHBondContact O-CG 3.44Å; L379-M426 PolarHBondContact O-N 3.11Å; F380-M426 HydrophobicContact CB-CB 4.29Å; F380-M426 HydrophobicContact CB-SD 4.38Å; F380-M426 HydrophobicContact CD2-CB 4.07Å; F380-M426 HydrophobicContact CD2-CE 3.92Å; F380-M426 HydrophobicContact CD2-SD 4.26Å; F380-M426 HydrophobicContact CE2-CE 4.34Å; F380-M426 HydrophobicContact CG-CB 4.08Å
427G98.9Very high98.8Very high0 Ų023.8 Ų23.80%013%0.127CC..EExtended strand (participates in β ladder)trans178.5-176.9-171.800000114.4L19 F380 I381L19-G427 VanDerWaalsContact O-CA 3.31Å; L19-G427 WeakPolarHBondContact O-CA 3.47Å; F380-G427 WeakPolarHBondContact CD1-O 3.46Å; F380-G427 VanDerWaalsContact CE1-C 3.44Å; I381-G427 PolarHBondContact N-O 3.39Å
428Y99Very high98.7Very high0 Ų024.1 Ų24.10%013%0.129CC..EExtended strand (participates in β ladder)trans-148.9118.7-177174.8-104000110.7L19 W20 G21 I381 N384 L407 I411 M414 P430 Y474L19-Y428 PolarHBondContact O-N 2.71Å; W20-Y428 AromaticContact CE3-CD1 3.9Å; W20-Y428 HydrophobicContact CE3-CD1 3.9Å; W20-Y428 AromaticContact CZ3-CD1 3.65Å; W20-Y428 HydrophobicContact CZ3-CD1 3.65Å; W20-Y428 HydrophobicContact CZ3-CE1 4.41Å; W20-Y428 HydrophobicContact CZ3-CG 4.35Å; G21-Y428 PolarHBondContact N-O 2.85Å; G21-Y428 VanDerWaalsContact N-O 3.13Å; I381-Y428 HydrophobicContact CB-CD2 3.86Å; I381-Y428 HydrophobicContact CD1-CD2 4Å; I381-Y428 HydrophobicContact CG2-CD2 3.56Å; I381-Y428 HydrophobicContact CG2-CE2 3.9Å; I381-Y428 WeakPolarHBondContact O-CA 3.44Å; N384-Y428 HydrophobicContact CB-CE2 3.61Å; N384-Y428 PolarHBondContact OD1-OH 3.33Å; L407-Y428 WeakPolarHBondContact CD2-OH 3.43Å; I411-Y428 HydrophobicContact CD1-CE1 3.94Å; I411-Y428 HydrophobicContact CG1-CD1 4.37Å; I411-Y428 HydrophobicContact CG1-CE1 3.81Å; M414-Y428 HydrophobicContact SD-CD2 3.78Å; M414-Y428 HydrophobicContact SD-CG 3.8Å; Y428-P430 HydrophobicContact CD1-CG 4Å; Y428-P430 HydrophobicContact CE1-CG 3.34Å; Y428-Y474 HydrophobicContact CD1-CE2 4.43Å; Y428-Y474 HydrophobicContact CE1-CE2 4.18Å; Y428-Y474 PolarHBondContact O-OH 3.22Å
429T99Very high98.6Very high0 Ų025.1 Ų25.10%013%0.132CC..  trans-125.197-179.158.70000111.3C93 F380 I381 V382 W431C93-T429 WeakPolarHBondContact SG-CG2 3.2Å; F380-T429 HydrophobicContact CE1-CG2 4.12Å; F380-T429 HydrophobicContact CZ-CG2 4.38Å; I381-T429 PolarHBondContact O-N 2.95Å; V382-T429 CarbonylContact C-O 3.54Å; V382-T429 VanDerWaalsContact C-OG1 3.24Å; V382-T429 VanDerWaalsContact CA-OG1 3.24Å; V382-T429 WeakPolarHBondContact CA-OG1 3.23Å; V382-T429 PolarHBondContact O-OG1 3.11Å; T429-W431 PolarHBondContact O-N 3.37Å
430P98.9Very high98.2Very high2 Ų226.9 Ų26.91%0.01314%0.143CC..  trans-51135.2174.2-3237.7000113.1G21 G22 A23 N384 L407 Y428 F450 Y474G21-P430 VanDerWaalsContact O-CD 3.28Å; G21-P430 WeakPolarHBondContact O-CD 3.43Å; G22-P430 WeakPolarHBondContact CA-O 3.47Å; A23-P430 PolarHBondContact N-O 3.05Å; N384-P430 CarbonylContact O-C 2.82Å; N384-P430 WeakPolarHBondContact O-CA 3.22Å; L407-P430 HydrophobicContact CD2-CB 4.37Å; L407-P430 HydrophobicContact CD2-CG 4.44Å; Y428-P430 HydrophobicContact CD1-CG 4Å; Y428-P430 HydrophobicContact CE1-CG 3.34Å; P430-F450 HydrophobicContact CB-CE2 3.78Å; P430-F450 HydrophobicContact CB-CZ 3.73Å; P430-F450 HydrophobicContact CG-CE2 4.05Å; P430-F450 HydrophobicContact CG-CZ 3.81Å; P430-Y474 WeakPolarHBondContact CD-OH 3.5Å; P430-Y474 HydrophobicContact CG-CE1 4.38Å; P430-Y474 HydrophobicContact CG-CE2 4.05Å
431W98.8Very high98.1Very high17 Ų1718.7 Ų18.76%0.06411%0.112CC..BIsolated β-bridgetrans-70.6145.8-179.3174.8-107.9000112A23 A25 Q28 H140 Y323 E383 N384 T429 C433 Y448A23-W431 HydrophobicContact CB-CE3 4.15Å; A23-W431 CarbonylContact O-C 3.48Å; A25-W431 HydrophobicContact CB-CH2 4.04Å; Q28-W431 VanDerWaalsContact OE1-CH2 3.27Å; H140-W431 AromaticContact CE1-CZ3 3.92Å; Y323-W431 HydrophobicContact CE1-CB 4.15Å; Y323-W431 HydrophobicContact CE1-CG 4.48Å; Y323-W431 WeakPolarHBondContact OH-CB 3.26Å; E383-W431 HydrophobicContact CB-CB 4.17Å; E383-W431 HydrophobicContact CG-CE3 3.8Å; E383-W431 HydrophobicContact CG-CZ3 4.45Å; N384-W431 PolarHBondContact O-N 3.5Å; T429-W431 PolarHBondContact O-N 3.37Å; W431-C433 VanDerWaalsContact C-N 3.26Å; W431-C433 PolarHBondContact O-N 3.01Å; W431-Y448 AromaticContact CD1-CD1 3.7Å; W431-Y448 AromaticContact CD1-CE1 3.95Å; W431-Y448 AromaticContact CD1-CG 3.78Å; W431-Y448 WeakPolarHBondContact O-CB 3.45Å
432G98.6Very high98Very high0 Ų015.8 Ų15.80%010%0.097CC..THydrogen-bonded Turntrans55.143.4177.300000111.2A23 I434 Y448 G449A23-G432 WeakPolarHBondContact O-CA 3.37Å; A23-G432 PolarHBondContact O-N 2.94Å; G432-I434 CarbonylContact C-O 3.59Å; G432-I434 CarbonylContact O-C 3.52Å; G432-I434 PolarHBondContact O-N 2.95Å; G432-Y448 CarbonylContact O-C 3.57Å; G432-Y448 VanDerWaalsContact O-C 3.26Å; G432-G449 WeakPolarHBondContact O-CA 3.47Å; G432-G449 PolarHBondContact O-N 2.65Å
433C98.9Very high97.9Very high2 Ų214.5 Ų14.51%0.0148%0.078CC..SBendtrans-56.8-24.4-172.662.60000113.7F91 W431 G449 F450 I451F91-C433 HydrophobicContact CE2-CB 4.35Å; F91-C433 HydrophobicContact CZ-CB 4.08Å; W431-C433 VanDerWaalsContact C-N 3.26Å; W431-C433 PolarHBondContact O-N 3.01Å; C433-G449 CarbonylContact O-C 3.54Å; C433-G449 WeakPolarHBondContact O-CA 3.24Å; C433-F450 HydrophobicContact CB-CD2 3.94Å; C433-F450 HydrophobicContact CB-CE2 4.17Å; C433-F450 PolarHBondContact O-N 2.83Å; C433-I451 PolarHBondContact O-N 3.43Å
434I98.9Very high97.9Very high1 Ų114.3 Ų14.31%0.0058%0.077CC..BIsolated β-bridgetrans-109.7141.1156.4-178.7165.7000107.7V24 D82 F86 G432 C436 I451 V453 R465V24-I434 HydrophobicContact CG1-CG2 4.13Å; D82-I434 HydrophobicContact CB-CD1 4.36Å; F86-I434 HydrophobicContact CE1-CB 4.42Å; F86-I434 HydrophobicContact CE1-CG2 4.46Å; F86-I434 HydrophobicContact CZ-CG2 4.28Å; G432-I434 CarbonylContact C-O 3.59Å; G432-I434 CarbonylContact O-C 3.52Å; G432-I434 PolarHBondContact O-N 2.95Å; I434-C436 PolarHBondContact O-N 3.11Å; I434-I451 HydrophobicContact CB-CB 4.15Å; I434-I451 HydrophobicContact CB-CD1 4.37Å; I434-I451 HydrophobicContact CD1-CB 4.45Å; I434-I451 HydrophobicContact CD1-CG2 4Å; I434-I451 HydrophobicContact CG1-CB 3.98Å; I434-I451 HydrophobicContact CG1-CG2 3.95Å; I434-V453 HydrophobicContact CD1-CG2 3.8Å; I434-V453 HydrophobicContact CG1-CG2 3.53Å; I434-R465 HydrophobicContact CD1-CG 3.9Å
435D98.9Very high97.9Very high2 Ų211.8 Ų11.81%0.0117%0.065CC..  trans-50135.2177.4-75.9-11.2000110.9V73 R447 G449 I451 Y452 V453 K468V73-D435 WeakPolarHBondContact CG1-O 3.48Å; V73-D435 WeakPolarHBondContact CG2-O 3.5Å; D435-R447 WeakPolarHBondContact OD1-CB 3.42Å; D435-R447 WeakPolarHBondContact OD2-CD 3.3Å; D435-R447 IonicContact OD2-CZ 3.63Å; D435-R447 IonicContact OD2-NE 2.67Å; D435-R447 IonicContact OD2-NH1 3.72Å; D435-R447 PolarHBondContact OD2-NH1 3.09Å; D435-G449 WeakPolarHBondContact OD1-CA 3.49Å; D435-G449 PolarHBondContact OD1-N 3.48Å; D435-I451 PolarHBondContact N-O 2.78Å; D435-Y452 WeakPolarHBondContact OD2-CA 3.4Å; D435-V453 HydrophobicContact CB-CB 4.12Å; D435-V453 HydrophobicContact CB-CG2 4.09Å; D435-V453 PolarHBondContact OD2-N 3.48Å; D435-K468 VanDerWaalsContact CG-NZ 3.35Å; D435-K468 IonicContact OD1-NZ 3.87Å; D435-K468 PolarHBondContact OD1-NZ 3.29Å; D435-K468 IonicContact OD2-NZ 3.01Å; D435-K468 PolarHBondContact OD2-NZ 2.85Å
436C98.7Very high97.8Very high3 Ų312 Ų122%0.027%0.065CC..  trans-141.2165-172.7680000110.3Q28 V29 I434 S438Q28-C436 HydrophobicContact CB-CB 4.3Å; Q28-C436 WeakPolarHBondContact O-CB 3.31Å; V29-C436 HydrophobicContact CG1-CB 3.49Å; V29-C436 VanDerWaalsContact CG1-CB 3.49Å; I434-C436 PolarHBondContact O-N 3.11Å; C436-S438 PolarHBondContact O-N 3.07Å
437V98.6Very high97.8Very high0 Ų011 Ų110%06%0.06CC..  trans-63.2129.2172.4172.30000109.5Q28 P68 A72 Y444Q28-V437 PolarHBondContact NE2-O 3.14Å; Q28-V437 PolarHBondContact O-N 2.86Å; Q28-V437 VanDerWaalsContact O-N 3.1Å; P68-V437 HydrophobicContact CB-CG1 3.71Å; P68-V437 HydrophobicContact CB-CG2 4.13Å; A72-V437 HydrophobicContact CB-CG2 4.17Å; V437-Y444 HydrophobicContact CG2-CD1 4.28Å; V437-Y444 HydrophobicContact CG2-CE1 3.53Å
438S97.5Very high97.8Very high7 Ų711.8 Ų11.85%0.0496%0.063CC..  trans-69.4151.3178.780.80000112.8C436 T441 G442 Q443C436-S438 PolarHBondContact O-N 3.07Å; S438-T441 PolarHBondContact OG-OG1 2.86Å; S438-G442 WeakPolarHBondContact O-CA 3.47Å; S438-G442 PolarHBondContact O-N 3.37Å; S438-G442 PolarHBondContact OG-N 2.76Å; S438-G442 VanDerWaalsContact OG-N 3.17Å; S438-Q443 WeakPolarHBondContact CB-O 3.4Å; S438-Q443 PolarHBondContact N-O 3Å; S438-Q443 PolarHBondContact OG-N 2.97Å; S438-Q443 VanDerWaalsContact OG-N 3.09Å
439F96.2Very high97.8Very high42 Ų4211.8 Ų11.818%0.1846%0.063CC..THydrogen-bonded Turntrans-64.9-61.6177.5173.7-96.4000112.1R55 F141 L197 F198 C201 T441R55-F439 PolarHBondContact NH1-O 3.29Å; F141-F439 AromaticContact CD2-CD2 3.81Å; F141-F439 HydrophobicContact CD2-CD2 3.81Å; F141-F439 AromaticContact CD2-CE2 3.62Å; F141-F439 HydrophobicContact CD2-CE2 3.62Å; F141-F439 AromaticContact CE2-CD2 3.97Å; F141-F439 HydrophobicContact CE2-CD2 3.97Å; F141-F439 AromaticContact CE2-CE2 3.74Å; F141-F439 HydrophobicContact CE2-CE2 3.74Å; F141-F439 HydrophobicContact CG-CE2 4.3Å; L197-F439 HydrophobicContact CB-CZ 4.32Å; F198-F439 HydrophobicContact CD1-CE1 4.01Å; F198-F439 HydrophobicContact CD1-CZ 4.03Å; F198-F439 AromaticContact CE1-CE1 3.79Å; F198-F439 HydrophobicContact CE1-CE1 3.79Å; F198-F439 HydrophobicContact CE1-CZ 4.26Å; C201-F439 HydrophobicContact CB-CE2 3.66Å; C201-F439 HydrophobicContact CB-CZ 3.97Å; C201-F439 VanDerWaalsContact SG-CE2 3.56Å; F439-T441 PolarHBondContact O-N 3.33Å
440T91.4Very high97.8Very high80 Ų8011.9 Ų11.949%0.4916%0.064SC..THydrogen-bonded Turntrans-64.2-39.5-167.8-47.60000113R55R55-T440 WeakPolarHBondContact CD-O 3.38Å; R55-T440 WeakPolarHBondContact CG-O 3.4Å
441T94.4Very high97.8Very high11 Ų1111.8 Ų11.87%0.0676%0.063CC..THydrogen-bonded Turntrans-118.2-14.2-171.855.90000113.5G49 S438 F439 Q443G49-T441 CarbonylContact C-O 3.54Å; G49-T441 WeakPolarHBondContact CA-O 3.48Å; G49-T441 PolarHBondContact N-O 3.49Å; S438-T441 PolarHBondContact OG-OG1 2.86Å; F439-T441 PolarHBondContact O-N 3.33Å; T441-Q443 VanDerWaalsContact C-N 3.28Å; T441-Q443 WeakPolarHBondContact OG1-CG 3.26Å; T441-Q443 PolarHBondContact OG1-OE1 2.72Å
442G97.1Very high97.8Very high2 Ų211.4 Ų11.42%0.0216%0.062CC..  trans68.829.3-175.700000112.7P68 S438P68-G442 WeakPolarHBondContact CB-O 3.34Å; P68-G442 WeakPolarHBondContact CG-O 3.42Å; S438-G442 WeakPolarHBondContact O-CA 3.47Å; S438-G442 PolarHBondContact O-N 3.37Å; S438-G442 PolarHBondContact OG-N 2.76Å; S438-G442 VanDerWaalsContact OG-N 3.17Å
443Q97.8Very high97.8Very high21 Ų2111.5 Ų11.510%0.0986%0.062CC..  trans-100.9151.5-176.3-70.1178.4-75.700111.7S438 T441 S445 D457S438-Q443 WeakPolarHBondContact CB-O 3.4Å; S438-Q443 PolarHBondContact N-O 3Å; S438-Q443 PolarHBondContact OG-N 2.97Å; S438-Q443 VanDerWaalsContact OG-N 3.09Å; T441-Q443 VanDerWaalsContact C-N 3.28Å; T441-Q443 WeakPolarHBondContact OG1-CG 3.26Å; T441-Q443 PolarHBondContact OG1-OE1 2.72Å; Q443-S445 PolarHBondContact NE2-OG 3.47Å; Q443-D457 WeakPolarHBondContact CA-OD1 3.36Å; Q443-D457 WeakPolarHBondContact CB-OD1 3.4Å; Q443-D457 WeakPolarHBondContact CG-OD2 3.17Å; Q443-D457 PolarHBondContact NE2-OD2 2.72Å
444Y98.5Very high97.8Very high3 Ų313.4 Ų13.41%0.0127%0.072CC..SBendtrans-89.1-21.3166.8-58.8-82.3000112.1Y66 P68 A72 V73 V437 K446 R447 K455 D457Y66-Y444 WeakPolarHBondContact OH-CE2 3.47Å; P68-Y444 PolarHBondContact O-OH 3.4Å; A72-Y444 VanDerWaalsContact O-CE1 3.31Å; A72-Y444 WeakPolarHBondContact O-CE1 3.07Å; A72-Y444 PolarHBondContact O-OH 3.18Å; V73-Y444 HydrophobicContact CG1-CD1 4.2Å; V73-Y444 HydrophobicContact CG1-CE1 3.87Å; V437-Y444 HydrophobicContact CG2-CD1 4.28Å; V437-Y444 HydrophobicContact CG2-CE1 3.53Å; Y444-K446 VanDerWaalsContact C-N 3.29Å; Y444-K446 PolarHBondContact O-N 2.82Å; Y444-R447 WeakPolarHBondContact O-CG 3.3Å; Y444-R447 PolarHBondContact O-NE 3.08Å; Y444-K455 WeakPolarHBondContact CB-O 3.35Å; Y444-K455 HydrophobicContact CD1-CB 4.11Å; Y444-K455 HydrophobicContact CD1-CG 3.95Å; Y444-K455 HydrophobicContact CD2-CG 3.95Å; Y444-K455 HydrophobicContact CE1-CB 4.23Å; Y444-K455 HydrophobicContact CE1-CG 3.72Å; Y444-K455 HydrophobicContact CE2-CG 3.7Å; Y444-K455 HydrophobicContact CG-CB 4.37Å; Y444-K455 HydrophobicContact CG-CG 4.07Å; Y444-D457 WeakPolarHBondContact CA-OD1 3.45Å; Y444-D457 PolarHBondContact N-OD1 3.17Å
445S97.7Very high97.8Very high20 Ų2014 Ų1414%0.148%0.075CC..SBendtrans-66.8-26-177.358.10000114.2Y389 Q443 R447 D457Y389-S445 WeakPolarHBondContact CD1-O 3.26Å; Q443-S445 PolarHBondContact NE2-OG 3.47Å; S445-R447 PolarHBondContact O-N 3.34Å; S445-D457 VanDerWaalsContact CB-OD2 3.24Å; S445-D457 WeakPolarHBondContact CB-OD2 3.39Å; S445-D457 PolarHBondContact N-OD1 3.14Å; S445-D457 PolarHBondContact OG-OD2 2.89Å
446K97.6Very high97.8Very high10 Ų1016.7 Ų16.74%0.0439%0.087CC..SBendtrans-87.792.1170.9-168.3-174.7-171.8-1720110W355 Y444 Y448W355-K446 HydrophobicContact CD2-CD 3.87Å; W355-K446 HydrophobicContact CD2-CG 4Å; W355-K446 HydrophobicContact CE3-CD 4.42Å; W355-K446 HydrophobicContact CE3-CG 4.13Å; W355-K446 HydrophobicContact CG-CD 4.09Å; W355-K446 HydrophobicContact CH2-CB 3.87Å; W355-K446 HydrophobicContact CH2-CG 3.91Å; W355-K446 HydrophobicContact CZ2-CB 3.58Å; W355-K446 HydrophobicContact CZ2-CD 4.2Å; W355-K446 HydrophobicContact CZ2-CG 3.77Å; W355-K446 HydrophobicContact CZ3-CG 4.1Å; Y444-K446 VanDerWaalsContact C-N 3.29Å; Y444-K446 PolarHBondContact O-N 2.82Å; K446-Y448 HydrophobicContact CD-CE2 4.13Å; K446-Y448 VanDerWaalsContact CE-OH 3.22Å; K446-Y448 WeakPolarHBondContact CE-OH 3.16Å; K446-Y448 HydrophobicContact CG-CE2 4.04Å; K446-Y448 PolarHBondContact NZ-OH 3.49Å
447R98.6Very high97.7Very high7 Ų719.1 Ų19.13%0.02610%0.1CC..BIsolated β-bridgetrans-99.7143.1-168.7-65.3174-173.9-80.5-6.1112.2G387 A388 D390 R403 D435 Y444 S445 Y452 V453 K455G387-R447 WeakPolarHBondContact CA-O 3.43Å; A388-R447 PolarHBondContact N-O 3.46Å; A388-R447 VanDerWaalsContact N-O 3.12Å; A388-R447 PolarHBondContact O-N 2.9Å; D390-R447 WeakPolarHBondContact OD2-CB 3.38Å; D390-R447 WeakPolarHBondContact OD2-CD 3.49Å; R403-R447 PolarHBondContact NH1-O 3.18Å; D435-R447 WeakPolarHBondContact OD1-CB 3.42Å; D435-R447 WeakPolarHBondContact OD2-CD 3.3Å; D435-R447 IonicContact OD2-CZ 3.63Å; D435-R447 IonicContact OD2-NE 2.67Å; D435-R447 IonicContact OD2-NH1 3.72Å; D435-R447 PolarHBondContact OD2-NH1 3.09Å; Y444-R447 WeakPolarHBondContact O-CG 3.3Å; Y444-R447 PolarHBondContact O-NE 3.08Å; S445-R447 PolarHBondContact O-N 3.34Å; R447-Y452 VanDerWaalsContact NH1-CE2 3.34Å; R447-V453 PolarHBondContact NH1-O 3.41Å; R447-K455 PolarHBondContact NH2-O 3.23Å
448Y98.7Very high97.5Very high18 Ų1825 Ų257%0.07113%0.131CC..  trans-122.8-18.4-180-72.8-98000113.5Y323 G387 R403 W431 G432 K446Y323-Y448 HydrophobicContact CE1-CE1 4.22Å; G387-Y448 VanDerWaalsContact CA-CZ 3.47Å; R403-Y448 PolarHBondContact NH1-O 3.36Å; W431-Y448 AromaticContact CD1-CD1 3.7Å; W431-Y448 AromaticContact CD1-CE1 3.95Å; W431-Y448 AromaticContact CD1-CG 3.78Å; W431-Y448 WeakPolarHBondContact O-CB 3.45Å; G432-Y448 CarbonylContact O-C 3.57Å; G432-Y448 VanDerWaalsContact O-C 3.26Å; K446-Y448 HydrophobicContact CD-CE2 4.13Å; K446-Y448 VanDerWaalsContact CE-OH 3.22Å; K446-Y448 WeakPolarHBondContact CE-OH 3.16Å; K446-Y448 HydrophobicContact CG-CE2 4.04Å; K446-Y448 PolarHBondContact NZ-OH 3.49Å
449G98.7Very high97.3Very high0 Ų026.2 Ų26.20%015%0.145CC..  trans-74.2158.1-167.800000116.7R403 G432 C433 D435 I451 K468R403-G449 PolarHBondContact NH1-O 2.86Å; G432-G449 WeakPolarHBondContact O-CA 3.47Å; G432-G449 PolarHBondContact O-N 2.65Å; C433-G449 CarbonylContact O-C 3.54Å; C433-G449 WeakPolarHBondContact O-CA 3.24Å; D435-G449 WeakPolarHBondContact OD1-CA 3.49Å; D435-G449 PolarHBondContact OD1-N 3.48Å; G449-I451 VanDerWaalsContact C-N 3.3Å; G449-K468 WeakPolarHBondContact O-CD 3.27Å; G449-K468 WeakPolarHBondContact O-CE 3.49Å; G449-K468 PolarHBondContact O-NZ 3.25Å
450F98.9Very high97.4Very high1 Ų127.7 Ų27.70%0.00416%0.158CC..SBendtrans-77.2-26.1158.9-54-62.4000111M89 L407 P430 C433 K468 S470 F471 W473 Y474M89-F450 HydrophobicContact CE-CB 3.58Å; M89-F450 HydrophobicContact CE-CD1 4.11Å; M89-F450 HydrophobicContact CE-CD2 3.47Å; M89-F450 VanDerWaalsContact CE-CD2 3.47Å; M89-F450 HydrophobicContact CE-CE2 4.14Å; M89-F450 HydrophobicContact CE-CG 3.45Å; M89-F450 VanDerWaalsContact CE-CG 3.45Å; M89-F450 HydrophobicContact SD-CB 3.95Å; M89-F450 HydrophobicContact SD-CD2 4.2Å; M89-F450 HydrophobicContact SD-CG 4.31Å; L407-F450 HydrophobicContact CD1-CE1 3.48Å; L407-F450 VanDerWaalsContact CD1-CE1 3.48Å; L407-F450 HydrophobicContact CD1-CZ 3.77Å; P430-F450 HydrophobicContact CB-CE2 3.78Å; P430-F450 HydrophobicContact CB-CZ 3.73Å; P430-F450 HydrophobicContact CG-CE2 4.05Å; P430-F450 HydrophobicContact CG-CZ 3.81Å; C433-F450 HydrophobicContact CB-CD2 3.94Å; C433-F450 HydrophobicContact CB-CE2 4.17Å; C433-F450 PolarHBondContact O-N 2.83Å; F450-K468 WeakPolarHBondContact O-CB 3.47Å; F450-K468 WeakPolarHBondContact O-CG 3.42Å; F450-K468 PolarHBondContact O-N 2.92Å; F450-S470 WeakPolarHBondContact CD1-OG 3.31Å; F450-F471 HydrophobicContact CB-CB 4.44Å; F450-F471 HydrophobicContact CB-CD2 4.38Å; F450-W473 HydrophobicContact CE1-CE3 4.46Å; F450-W473 HydrophobicContact CE1-CZ3 4.23Å; F450-Y474 HydrophobicContact CD2-CD1 4.33Å; F450-Y474 HydrophobicContact CE1-CD1 4.46Å; F450-Y474 HydrophobicContact CE1-CD2 4.44Å; F450-Y474 HydrophobicContact CE1-CG 4.02Å; F450-Y474 AromaticContact CE2-CD1 3.74Å; F450-Y474 HydrophobicContact CE2-CD1 3.74Å; F450-Y474 HydrophobicContact CE2-CE1 4.01Å; F450-Y474 HydrophobicContact CE2-CG 4.11Å; F450-Y474 AromaticContact CZ-CD1 3.83Å; F450-Y474 HydrophobicContact CZ-CD1 3.83Å; F450-Y474 HydrophobicContact CZ-CD2 4.03Å; F450-Y474 HydrophobicContact CZ-CE1 4.22Å; F450-Y474 HydrophobicContact CZ-CE2 4.43Å; F450-Y474 AromaticContact CZ-CG 3.7Å; F450-Y474 HydrophobicContact CZ-CG 3.7Å
451I98.9Very high97.7Very high0 Ų025.7 Ų25.70%015%0.153CC..EExtended strand (participates in β ladder)trans-106117.3176.7-57.7160.1000107.3L85 F86 C433 I434 D435 G449 R465 S466 F471L85-I451 HydrophobicContact CB-CD1 3.59Å; L85-I451 HydrophobicContact CB-CG1 4.38Å; L85-I451 HydrophobicContact CD1-CD1 3.92Å; L85-I451 HydrophobicContact CD1-CG1 4.25Å; L85-I451 HydrophobicContact CD1-CG2 3.88Å; L85-I451 HydrophobicContact CG-CD1 4.4Å; F86-I451 HydrophobicContact CD1-CD1 3.93Å; F86-I451 HydrophobicContact CE1-CD1 3.74Å; C433-I451 PolarHBondContact O-N 3.43Å; I434-I451 HydrophobicContact CB-CB 4.15Å; I434-I451 HydrophobicContact CB-CD1 4.37Å; I434-I451 HydrophobicContact CD1-CB 4.45Å; I434-I451 HydrophobicContact CD1-CG2 4Å; I434-I451 HydrophobicContact CG1-CB 3.98Å; I434-I451 HydrophobicContact CG1-CG2 3.95Å; D435-I451 PolarHBondContact N-O 2.78Å; G449-I451 VanDerWaalsContact C-N 3.3Å; I451-R465 HydrophobicContact CG2-CB 3.74Å; I451-R465 HydrophobicContact CG2-CG 3.72Å; I451-S466 CarbonylContact C-O 3.52Å; I451-S466 WeakPolarHBondContact CA-O 3.15Å; I451-F471 HydrophobicContact CD1-CE2 4.3Å; I451-F471 HydrophobicContact CG1-CD2 3.84Å; I451-F471 HydrophobicContact CG1-CE2 3.87Å
452Y98.9Very high97.9Very high10 Ų1030.4 Ų30.44%0.03918%0.178CC..EExtended strand (participates in β ladder)trans-75.1138.2172.1179.9-95.8000109.9D390 V392 I398 D435 R447 N454 H456 R465 S466 K468D390-Y452 HydrophobicContact CB-CD2 4.33Å; D390-Y452 HydrophobicContact CB-CE2 4.31Å; V392-Y452 HydrophobicContact CG2-CE1 4.02Å; V392-Y452 HydrophobicContact CG2-CE2 4.06Å; I398-Y452 HydrophobicContact CD1-CD1 3.97Å; I398-Y452 HydrophobicContact CD1-CD2 3.44Å; I398-Y452 VanDerWaalsContact CD1-CD2 3.44Å; I398-Y452 HydrophobicContact CD1-CE2 4.17Å; I398-Y452 HydrophobicContact CD1-CG 3.3Å; D435-Y452 WeakPolarHBondContact OD2-CA 3.4Å; R447-Y452 VanDerWaalsContact NH1-CE2 3.34Å; Y452-N454 HydrophobicContact CE1-CB 3.91Å; Y452-H456 PolarHBondContact OH-CE1 3.29Å; Y452-R465 VanDerWaalsContact O-CA 3.28Å; Y452-R465 WeakPolarHBondContact O-CA 3.42Å; Y452-S466 PolarHBondContact N-O 3.46Å; Y452-S466 PolarHBondContact O-N 3.31Å; Y452-K468 VanDerWaalsContact CA-CE 3.47Å
453V98.9Very high97.9Very high1 Ų131 Ų311%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-112.8124.6168.7-178.40000108.6V73 I434 D435 R447 K455 M463 S464 R465V73-V453 HydrophobicContact CB-CG1 4.02Å; V73-V453 HydrophobicContact CB-CG2 4.22Å; V73-V453 HydrophobicContact CG1-CB 4.09Å; V73-V453 HydrophobicContact CG1-CG1 3.83Å; V73-V453 HydrophobicContact CG1-CG2 4.15Å; I434-V453 HydrophobicContact CD1-CG2 3.8Å; I434-V453 HydrophobicContact CG1-CG2 3.53Å; D435-V453 HydrophobicContact CB-CB 4.12Å; D435-V453 HydrophobicContact CB-CG2 4.09Å; D435-V453 PolarHBondContact OD2-N 3.48Å; R447-V453 PolarHBondContact NH1-O 3.41Å; V453-K455 HydrophobicContact CG1-CB 4.27Å; V453-K455 PolarHBondContact O-N 3.25Å; V453-M463 HydrophobicContact CG1-CG 4.17Å; V453-M463 HydrophobicContact CG1-SD 3.52Å; V453-M463 VanDerWaalsContact CG1-SD 3.52Å; V453-S464 WeakPolarHBondContact CA-O 3.41Å; V453-R465 HydrophobicContact CG2-CG 4.31Å
454N98.8Very high98Very high42 Ų4232.4 Ų32.423%0.22519%0.193CC..  trans-74.973.4177.1-171.328.4000110.7Y452 H456 G461 D462 M463 S464Y452-N454 HydrophobicContact CE1-CB 3.91Å; N454-H456 PolarHBondContact OD1-NE2 2.99Å; N454-G461 CarbonylContact O-C 3.59Å; N454-G461 VanDerWaalsContact O-C 3.22Å; N454-G461 WeakPolarHBondContact O-CA 3.27Å; N454-D462 WeakPolarHBondContact CB-OD1 3.37Å; N454-D462 PolarHBondContact ND2-OD1 2.88Å; N454-D462 PolarHBondContact O-N 3.07Å; N454-M463 PolarHBondContact O-N 2.79Å; N454-S464 PolarHBondContact N-O 2.7Å
455K98.7Very high98Very high14 Ų1434.2 Ų34.26%0.06120%0.2CC..  trans-142.5140.9171.8-173.364.6170.2-165.60108.5E71 Y444 R447 V453 G459 T460 M463E71-K455 IonicContact OE1-NZ 3.13Å; E71-K455 PolarHBondContact OE1-NZ 2.86Å; E71-K455 WeakPolarHBondContact OE2-CE 3.5Å; E71-K455 IonicContact OE2-NZ 3.97Å; E71-K455 PolarHBondContact OE2-NZ 2.94Å; Y444-K455 WeakPolarHBondContact CB-O 3.35Å; Y444-K455 HydrophobicContact CD1-CB 4.11Å; Y444-K455 HydrophobicContact CD1-CG 3.95Å; Y444-K455 HydrophobicContact CD2-CG 3.95Å; Y444-K455 HydrophobicContact CE1-CB 4.23Å; Y444-K455 HydrophobicContact CE1-CG 3.72Å; Y444-K455 HydrophobicContact CE2-CG 3.7Å; Y444-K455 HydrophobicContact CG-CB 4.37Å; Y444-K455 HydrophobicContact CG-CG 4.07Å; R447-K455 PolarHBondContact NH2-O 3.23Å; V453-K455 HydrophobicContact CG1-CB 4.27Å; V453-K455 PolarHBondContact O-N 3.25Å; K455-G459 PolarHBondContact NZ-O 3.17Å; K455-T460 WeakPolarHBondContact CA-O 3.38Å; K455-M463 HydrophobicContact CB-CE 4.21Å; K455-M463 HydrophobicContact CB-SD 3.83Å; K455-M463 HydrophobicContact CD-CE 3.78Å; K455-M463 HydrophobicContact CG-CE 3.92Å; K455-M463 HydrophobicContact CG-SD 4.19Å
456H98.3Very high98.1Very high58 Ų5835 Ų3527%0.26921%0.205SC..  trans-129.2162.6-173.5-56.6-80.2000112.1Y452 N454 D458 G459 T460Y452-H456 PolarHBondContact OH-CE1 3.29Å; N454-H456 PolarHBondContact OD1-NE2 2.99Å; H456-D458 WeakPolarHBondContact CB-OD1 3.36Å; H456-D458 PolarHBondContact O-N 3.11Å; H456-G459 PolarHBondContact O-N 3.2Å; H456-T460 PolarHBondContact CD2-O 2.99Å; H456-T460 PolarHBondContact CD2-OG1 3.47Å; H456-T460 VanDerWaalsContact CD2-OG1 3.31Å; H456-T460 PolarHBondContact N-O 2.89Å
457D97.1Very high98.1Very high55 Ų5539.6 Ų39.629%0.29422%0.222SC..THydrogen-bonded Turntrans-61.4-26.9-177.1-64.6-5.2000112.9Q443 Y444 S445 G459Q443-D457 WeakPolarHBondContact CA-OD1 3.36Å; Q443-D457 WeakPolarHBondContact CB-OD1 3.4Å; Q443-D457 WeakPolarHBondContact CG-OD2 3.17Å; Q443-D457 PolarHBondContact NE2-OD2 2.72Å; Y444-D457 WeakPolarHBondContact CA-OD1 3.45Å; Y444-D457 PolarHBondContact N-OD1 3.17Å; S445-D457 VanDerWaalsContact CB-OD2 3.24Å; S445-D457 WeakPolarHBondContact CB-OD2 3.39Å; S445-D457 PolarHBondContact N-OD1 3.14Å; S445-D457 PolarHBondContact OG-OD2 2.89Å; D457-G459 VanDerWaalsContact C-N 3.25Å; D457-G459 PolarHBondContact O-N 3.47Å
458D95.3Very high98.1Very high122 Ų12239.4 Ų39.465%0.65222%0.222SC*.THydrogen-bonded Turntrans-84.23.717767.5-1.1000113.6H456 T460H456-D458 WeakPolarHBondContact CB-OD1 3.36Å; H456-D458 PolarHBondContact O-N 3.11Å; D458-T460 VanDerWaalsContact C-N 3.31Å; D458-T460 PolarHBondContact O-N 2.73Å; D458-T460 WeakPolarHBondContact OD1-CB 3.49Å; D458-T460 WeakPolarHBondContact OD1-CG2 3.48Å; D458-T460 PolarHBondContact OD1-N 2.85Å; D458-T460 PolarHBondContact OD1-OG1 2.73Å
459G93.3Very high98.1Very high34 Ų3442.9 Ų42.935%0.35124%0.237SC..SBendtrans86.6-8.918000000114.8K455 H456 D457K455-G459 PolarHBondContact NZ-O 3.17Å; H456-G459 PolarHBondContact O-N 3.2Å; D457-G459 VanDerWaalsContact C-N 3.25Å; D457-G459 PolarHBondContact O-N 3.47Å
460T97.6Very high98.2Very high73 Ų7342.9 Ų42.945%0.44824%0.237SC..  trans-68.1162.2176.464.50000111.9K455 H456 D458K455-T460 WeakPolarHBondContact CA-O 3.38Å; H456-T460 PolarHBondContact CD2-O 2.99Å; H456-T460 PolarHBondContact CD2-OG1 3.47Å; H456-T460 VanDerWaalsContact CD2-OG1 3.31Å; H456-T460 PolarHBondContact N-O 2.89Å; D458-T460 VanDerWaalsContact C-N 3.31Å; D458-T460 PolarHBondContact O-N 2.73Å; D458-T460 WeakPolarHBondContact OD1-CB 3.49Å; D458-T460 WeakPolarHBondContact OD1-CG2 3.48Å; D458-T460 PolarHBondContact OD1-N 2.85Å; D458-T460 PolarHBondContact OD1-OG1 2.73Å
461G97.6Very high98.2Very high38 Ų3842.9 Ų42.939%0.39224%0.237SC..SBendtrans110.8156.8-177.300000112.8N454N454-G461 CarbonylContact O-C 3.59Å; N454-G461 VanDerWaalsContact O-C 3.22Å; N454-G461 WeakPolarHBondContact O-CA 3.27Å
462D98.4Very high98.2Very high110 Ų11047.4 Ų47.459%0.58826%0.261SS*.  trans-106.910.1-176.366.9-5.1000113.4N454 S464N454-D462 WeakPolarHBondContact CB-OD1 3.37Å; N454-D462 PolarHBondContact ND2-OD1 2.88Å; N454-D462 PolarHBondContact O-N 3.07Å; D462-S464 PolarHBondContact O-N 2.79Å; D462-S464 VanDerWaalsContact O-N 3.12Å; D462-S464 WeakPolarHBondContact OD1-CB 3.5Å; D462-S464 PolarHBondContact OD1-N 3.23Å; D462-S464 PolarHBondContact OD1-OG 2.83Å
463M98.6Very high98.2Very high13 Ų1348.2 Ų48.26%0.06426%0.264CS..  trans6212.8-177.1-148.1647700114.1E71 V73 D74 V453 N454 K455 R465E71-M463 HydrophobicContact CG-CE 3.95Å; E71-M463 WeakPolarHBondContact OE1-CE 3.4Å; V73-M463 VanDerWaalsContact CA-SD 3.54Å; V73-M463 HydrophobicContact CB-SD 4.06Å; V73-M463 HydrophobicContact CG1-SD 4.3Å; D74-M463 HydrophobicContact CB-CG 4.39Å; V453-M463 HydrophobicContact CG1-CG 4.17Å; V453-M463 HydrophobicContact CG1-SD 3.52Å; V453-M463 VanDerWaalsContact CG1-SD 3.52Å; N454-M463 PolarHBondContact O-N 2.79Å; K455-M463 HydrophobicContact CB-CE 4.21Å; K455-M463 HydrophobicContact CB-SD 3.83Å; K455-M463 HydrophobicContact CD-CE 3.78Å; K455-M463 HydrophobicContact CG-CE 3.92Å; K455-M463 HydrophobicContact CG-SD 4.19Å; M463-R465 WeakPolarHBondContact O-CD 3.39Å; M463-R465 PolarHBondContact O-NH1 2.82Å
464S98.8Very high98.2Very high52 Ų5248.2 Ų48.236%0.36426%0.264SS..  trans-66.9151.4176.862.50000111.9V453 N454 D462V453-S464 WeakPolarHBondContact CA-O 3.41Å; N454-S464 PolarHBondContact N-O 2.7Å; D462-S464 PolarHBondContact O-N 2.79Å; D462-S464 VanDerWaalsContact O-N 3.12Å; D462-S464 WeakPolarHBondContact OD1-CB 3.5Å; D462-S464 PolarHBondContact OD1-N 3.23Å; D462-S464 PolarHBondContact OD1-OG 2.83Å
465R98.8Very high98.2Very high41 Ų4150.1 Ų50.116%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-103.2134.2177.7-7671163.3161.27.1110.7V73 H78 D82 L85 I434 I451 Y452 V453 M463V73-R465 PolarHBondContact O-NH1 3.11Å; V73-R465 PolarHBondContact O-NH2 2.94Å; H78-R465 PolarHBondContact CD2-NH1 2.79Å; H78-R465 VanDerWaalsContact CD2-NH1 3.28Å; H78-R465 VanDerWaalsContact CG-NH1 3.27Å; D82-R465 WeakPolarHBondContact OD1-CD 3.24Å; D82-R465 WeakPolarHBondContact OD1-CG 3.35Å; D82-R465 IonicContact OD1-CZ 3.64Å; D82-R465 IonicContact OD1-NE 2.77Å; D82-R465 PolarHBondContact OD1-NE 2.76Å; D82-R465 IonicContact OD1-NH2 3.03Å; D82-R465 IonicContact OD2-CZ 3.72Å; D82-R465 IonicContact OD2-NE 3.66Å; D82-R465 PolarHBondContact OD2-NE 2.77Å; D82-R465 IonicContact OD2-NH2 3.99Å; D82-R465 PolarHBondContact OD2-NH2 3.13Å; L85-R465 HydrophobicContact CD1-CB 3.96Å; L85-R465 HydrophobicContact CD1-CG 4.36Å; I434-R465 HydrophobicContact CD1-CG 3.9Å; I451-R465 HydrophobicContact CG2-CB 3.74Å; I451-R465 HydrophobicContact CG2-CG 3.72Å; Y452-R465 VanDerWaalsContact O-CA 3.28Å; Y452-R465 WeakPolarHBondContact O-CA 3.42Å; V453-R465 HydrophobicContact CG2-CG 4.31Å; M463-R465 WeakPolarHBondContact O-CD 3.39Å; M463-R465 PolarHBondContact O-NH1 2.82Å
466S98.8Very high98.2Very high37 Ų3753.5 Ų53.526%0.25929%0.286SS..EExtended strand (participates in β ladder)trans-132.9156.2170.466.40000111.6I451 Y452I451-S466 CarbonylContact C-O 3.52Å; I451-S466 WeakPolarHBondContact CA-O 3.15Å; Y452-S466 PolarHBondContact N-O 3.46Å; Y452-S466 PolarHBondContact O-N 3.31Å
467R98.9Very high98.2Very high105 Ų10550.7 Ų50.740%0.39627%0.273SS..EExtended strand (participates in β ladder)trans-86.2126.6-178.7-65.1167.5-173.767.7-0.2108.7L85 E88 F471L85-R467 VanDerWaalsContact CD2-NH2 3.32Å; E88-R467 IonicContact OE1-CZ 2.73Å; E88-R467 IonicContact OE1-NE 3.55Å; E88-R467 PolarHBondContact OE1-NE 2.99Å; E88-R467 IonicContact OE1-NH2 2.7Å; E88-R467 PolarHBondContact OE1-NH2 3.49Å; E88-R467 IonicContact OE2-CZ 3.82Å; E88-R467 IonicContact OE2-NE 2.88Å; E88-R467 IonicContact OE2-NH2 3.69Å; E88-R467 PolarHBondContact OE2-NH2 2.71Å; R467-F471 HydrophobicContact CB-CB 3.92Å; R467-F471 HydrophobicContact CB-CD1 4.15Å; R467-F471 HydrophobicContact CB-CD2 4.26Å; R467-F471 HydrophobicContact CB-CG 3.86Å; R467-F471 HydrophobicContact CG-CB 4.37Å; R467-F471 HydrophobicContact CG-CD1 3.81Å; R467-F471 HydrophobicContact CG-CD2 3.86Å; R467-F471 HydrophobicContact CG-CE1 3.98Å; R467-F471 HydrophobicContact CG-CE2 4.01Å; R467-F471 HydrophobicContact CG-CG 3.75Å; R467-F471 HydrophobicContact CG-CZ 4.06Å
468K98.9Very high98.3Very high4 Ų448.5 Ų48.52%0.01726%0.262CS..  trans-79170.7168.2-52.4-173.6-162.8173.20110.2D390 I398 D400 D435 G449 F450 Y452 S470 F471D390-K468 IonicContact OD1-NZ 2.8Å; D390-K468 WeakPolarHBondContact OD2-CE 3.47Å; D390-K468 IonicContact OD2-NZ 2.65Å; D390-K468 PolarHBondContact OD2-NZ 3.4Å; I398-K468 HydrophobicContact CB-CB 4.21Å; I398-K468 HydrophobicContact CB-CG 4.02Å; I398-K468 HydrophobicContact CD1-CG 3.95Å; I398-K468 HydrophobicContact CG2-CB 4.28Å; I398-K468 HydrophobicContact CG2-CD 4Å; I398-K468 HydrophobicContact CG2-CG 3.99Å; D400-K468 WeakPolarHBondContact OD2-CB 3.45Å; D400-K468 WeakPolarHBondContact OD2-CD 3.33Å; D435-K468 VanDerWaalsContact CG-NZ 3.35Å; D435-K468 IonicContact OD1-NZ 3.87Å; D435-K468 PolarHBondContact OD1-NZ 3.29Å; D435-K468 IonicContact OD2-NZ 3.01Å; D435-K468 PolarHBondContact OD2-NZ 2.85Å; G449-K468 WeakPolarHBondContact O-CD 3.27Å; G449-K468 WeakPolarHBondContact O-CE 3.49Å; G449-K468 PolarHBondContact O-NZ 3.25Å; F450-K468 WeakPolarHBondContact O-CB 3.47Å; F450-K468 WeakPolarHBondContact O-CG 3.42Å; F450-K468 PolarHBondContact O-N 2.92Å; Y452-K468 VanDerWaalsContact CA-CE 3.47Å; K468-S470 PolarHBondContact O-N 3.38Å; K468-F471 WeakPolarHBondContact O-CB 3.46Å; K468-F471 PolarHBondContact O-N 3.16Å
469K98.9Very high98.4Very high91 Ų9146.3 Ų46.340%0.39626%0.26SS..Hα-helixtrans-57.3-40.3173.9-173.6178.5-179.6179.80111.3I398 D400 D401 I404 F471 N472 W473I398-K469 WeakPolarHBondContact O-CB 3.47Å; I398-K469 PolarHBondContact O-N 3.33Å; D400-K469 WeakPolarHBondContact OD1-CB 3.11Å; D400-K469 PolarHBondContact OD1-N 3.15Å; D401-K469 WeakPolarHBondContact OD1-CD 3.44Å; D401-K469 WeakPolarHBondContact OD1-CE 3.35Å; D401-K469 IonicContact OD1-NZ 3.39Å; D401-K469 PolarHBondContact OD1-NZ 3.46Å; D401-K469 IonicContact OD2-NZ 3.11Å; D401-K469 PolarHBondContact OD2-NZ 3.24Å; I404-K469 HydrophobicContact CD1-CB 4.38Å; I404-K469 HydrophobicContact CD1-CD 4.23Å; I404-K469 HydrophobicContact CD1-CG 3.93Å; K469-F471 PolarHBondContact O-N 3.27Å; K469-F471 VanDerWaalsContact O-N 3.14Å; K469-N472 PolarHBondContact O-N 2.93Å; K469-W473 PolarHBondContact O-N 2.93Å
470S98.9Very high98.7Very high0 Ų046 Ų460%025%0.253CS..Hα-helixtrans-60.1-19.9176.563.70000114.5D400 F450 K468 Y474D400-S470 WeakPolarHBondContact OD1-CB 3.47Å; D400-S470 PolarHBondContact OD1-N 2.99Å; D400-S470 PolarHBondContact OD1-OG 2.87Å; D400-S470 WeakPolarHBondContact OD2-CB 3.43Å; D400-S470 PolarHBondContact OD2-OG 3.05Å; F450-S470 WeakPolarHBondContact CD1-OG 3.31Å; K468-S470 PolarHBondContact O-N 3.38Å; S470-Y474 WeakPolarHBondContact O-CB 3.39Å; S470-Y474 PolarHBondContact O-N 3.21Å
471F98.9Very high98.8Very high0 Ų043.6 Ų43.60%024%0.237CC..Hα-helixtrans-60-56.3176.5-175.2-85000112.4L85 E88 M89 F450 I451 R467 K468 K469 W473 Y474 K475L85-F471 HydrophobicContact CB-CE2 4.22Å; L85-F471 HydrophobicContact CD2-CZ 4.47Å; E88-F471 HydrophobicContact CB-CE1 4.48Å; E88-F471 HydrophobicContact CB-CZ 4.05Å; E88-F471 HydrophobicContact CG-CE1 3.96Å; E88-F471 HydrophobicContact CG-CZ 4Å; E88-F471 WeakPolarHBondContact OE1-CE1 3.35Å; M89-F471 HydrophobicContact CE-CD2 4.32Å; M89-F471 HydrophobicContact CG-CD1 4.14Å; M89-F471 HydrophobicContact CG-CD2 3.68Å; M89-F471 HydrophobicContact CG-CE1 3.8Å; M89-F471 HydrophobicContact CG-CE2 3.3Å; M89-F471 HydrophobicContact CG-CG 4.08Å; M89-F471 HydrophobicContact CG-CZ 3.38Å; M89-F471 HydrophobicContact SD-CD2 3.51Å; M89-F471 VanDerWaalsContact SD-CD2 3.51Å; M89-F471 HydrophobicContact SD-CE2 3.52Å; M89-F471 VanDerWaalsContact SD-CE2 3.52Å; M89-F471 HydrophobicContact SD-CG 4.24Å; M89-F471 HydrophobicContact SD-CZ 4.24Å; F450-F471 HydrophobicContact CB-CB 4.44Å; F450-F471 HydrophobicContact CB-CD2 4.38Å; I451-F471 HydrophobicContact CD1-CE2 4.3Å; I451-F471 HydrophobicContact CG1-CD2 3.84Å; I451-F471 HydrophobicContact CG1-CE2 3.87Å; R467-F471 HydrophobicContact CB-CB 3.92Å; R467-F471 HydrophobicContact CB-CD1 4.15Å; R467-F471 HydrophobicContact CB-CD2 4.26Å; R467-F471 HydrophobicContact CB-CG 3.86Å; R467-F471 HydrophobicContact CG-CB 4.37Å; R467-F471 HydrophobicContact CG-CD1 3.81Å; R467-F471 HydrophobicContact CG-CD2 3.86Å; R467-F471 HydrophobicContact CG-CE1 3.98Å; R467-F471 HydrophobicContact CG-CE2 4.01Å; R467-F471 HydrophobicContact CG-CG 3.75Å; R467-F471 HydrophobicContact CG-CZ 4.06Å; K468-F471 WeakPolarHBondContact O-CB 3.46Å; K468-F471 PolarHBondContact O-N 3.16Å; K469-F471 PolarHBondContact O-N 3.27Å; K469-F471 VanDerWaalsContact O-N 3.14Å; F471-W473 VanDerWaalsContact C-N 3.33Å; F471-Y474 PolarHBondContact O-N 3.23Å; F471-K475 WeakPolarHBondContact O-CB 3.38Å; F471-K475 PolarHBondContact O-N 2.78Å
472N98.9Very high98.8Very high95 Ų9541.8 Ų41.851%0.50822%0.219SC..Hα-helixtrans-73.8-29.2-178.5-76.4-41.9000111.7K469 K475 E476K469-N472 PolarHBondContact O-N 2.93Å; N472-K475 WeakPolarHBondContact O-CB 3.38Å; N472-E476 PolarHBondContact O-N 2.89Å; N472-E476 VanDerWaalsContact O-N 3.17Å
473W98.9Very high98.8Very high28 Ų2839.4 Ų39.411%0.10620%0.204CC..Hα-helixtrans-59.3-54.5170.5168.677.2000111.3I404 L407 R408 I411 F450 K469 F471 K475 E476 V477 L485I404-W473 HydrophobicContact CB-CD2 4.34Å; I404-W473 HydrophobicContact CB-CG 4.49Å; I404-W473 HydrophobicContact CD1-CB 3.9Å; I404-W473 HydrophobicContact CD1-CG 4.08Å; I404-W473 HydrophobicContact CG1-CB 4.22Å; I404-W473 HydrophobicContact CG1-CD2 4.07Å; I404-W473 HydrophobicContact CG1-CE3 4.23Å; I404-W473 HydrophobicContact CG1-CG 4.03Å; I404-W473 HydrophobicContact CG2-CD2 3.75Å; I404-W473 HydrophobicContact CG2-CE3 4.48Å; I404-W473 HydrophobicContact CG2-CG 3.76Å; I404-W473 HydrophobicContact CG2-CZ2 4.35Å; L407-W473 HydrophobicContact CB-CH2 3.45Å; L407-W473 VanDerWaalsContact CB-CH2 3.45Å; L407-W473 HydrophobicContact CB-CZ2 4.49Å; L407-W473 HydrophobicContact CB-CZ3 3.77Å; L407-W473 HydrophobicContact CD1-CH2 4.36Å; L407-W473 HydrophobicContact CD1-CZ3 3.79Å; L407-W473 HydrophobicContact CG-CZ3 4.46Å; R408-W473 HydrophobicContact CB-CZ2 3.91Å; I411-W473 HydrophobicContact CD1-CH2 3.77Å; I411-W473 HydrophobicContact CD1-CZ2 4.33Å; F450-W473 HydrophobicContact CE1-CE3 4.46Å; F450-W473 HydrophobicContact CE1-CZ3 4.23Å; K469-W473 PolarHBondContact O-N 2.93Å; F471-W473 VanDerWaalsContact C-N 3.33Å; W473-K475 VanDerWaalsContact C-N 3.28Å; W473-K475 PolarHBondContact O-N 2.92Å; W473-E476 WeakPolarHBondContact O-CA 3.25Å; W473-E476 WeakPolarHBondContact O-CB 3.43Å; W473-E476 PolarHBondContact O-N 2.77Å; W473-V477 HydrophobicContact CD2-CG2 4.11Å; W473-V477 HydrophobicContact CE3-CG2 4.49Å; W473-V477 HydrophobicContact CH2-CG2 4.01Å; W473-V477 HydrophobicContact CZ2-CG2 3.58Å; W473-V477 HydrophobicContact CZ3-CG2 4.44Å; W473-V477 WeakPolarHBondContact O-CG2 3.28Å; W473-V477 PolarHBondContact O-N 3.3Å; W473-L485 PolarHBondContact NE1-OXT 2.69Å
474Y98.9Very high98.8Very high0 Ų042.8 Ų42.80%022%0.222CC..Hα-helixtrans-69-29.1-177.8-166.7-115000112.2W20 G21 M89 F91 I411 Y428 P430 F450 S470 F471 E476 V477 I478W20-Y474 HydrophobicContact CE3-CE2 4.23Å; W20-Y474 HydrophobicContact CZ3-CE2 4.39Å; G21-Y474 WeakPolarHBondContact O-CE1 3.11Å; G21-Y474 PolarHBondContact O-OH 2.84Å; M89-Y474 HydrophobicContact CE-CD1 3.5Å; M89-Y474 HydrophobicContact CE-CG 4.03Å; F91-Y474 HydrophobicContact CD1-CE1 4.49Å; F91-Y474 HydrophobicContact CE1-CD1 4.01Å; F91-Y474 AromaticContact CE1-CE1 3.85Å; F91-Y474 HydrophobicContact CE1-CE1 3.85Å; I411-Y474 HydrophobicContact CD1-CE2 4.3Å; Y428-Y474 HydrophobicContact CD1-CE2 4.43Å; Y428-Y474 HydrophobicContact CE1-CE2 4.18Å; Y428-Y474 PolarHBondContact O-OH 3.22Å; P430-Y474 WeakPolarHBondContact CD-OH 3.5Å; P430-Y474 HydrophobicContact CG-CE1 4.38Å; P430-Y474 HydrophobicContact CG-CE2 4.05Å; F450-Y474 HydrophobicContact CD2-CD1 4.33Å; F450-Y474 HydrophobicContact CE1-CD1 4.46Å; F450-Y474 HydrophobicContact CE1-CD2 4.44Å; F450-Y474 HydrophobicContact CE1-CG 4.02Å; F450-Y474 AromaticContact CE2-CD1 3.74Å; F450-Y474 HydrophobicContact CE2-CD1 3.74Å; F450-Y474 HydrophobicContact CE2-CE1 4.01Å; F450-Y474 HydrophobicContact CE2-CG 4.11Å; F450-Y474 AromaticContact CZ-CD1 3.83Å; F450-Y474 HydrophobicContact CZ-CD1 3.83Å; F450-Y474 HydrophobicContact CZ-CD2 4.03Å; F450-Y474 HydrophobicContact CZ-CE1 4.22Å; F450-Y474 HydrophobicContact CZ-CE2 4.43Å; F450-Y474 AromaticContact CZ-CG 3.7Å; F450-Y474 HydrophobicContact CZ-CG 3.7Å; S470-Y474 WeakPolarHBondContact O-CB 3.39Å; S470-Y474 PolarHBondContact O-N 3.21Å; F471-Y474 PolarHBondContact O-N 3.23Å; Y474-E476 VanDerWaalsContact C-N 3.27Å; Y474-E476 PolarHBondContact O-N 3.06Å; Y474-V477 HydrophobicContact CD2-CB 4.07Å; Y474-V477 HydrophobicContact CD2-CG1 4.2Å; Y474-V477 HydrophobicContact CD2-CG2 4.35Å; Y474-V477 HydrophobicContact CE2-CG1 4.21Å; Y474-V477 WeakPolarHBondContact O-CB 3.28Å; Y474-V477 PolarHBondContact O-N 3.11Å; Y474-I478 HydrophobicContact CD1-CD1 3.74Å; Y474-I478 HydrophobicContact CD1-CG1 4.24Å; Y474-I478 HydrophobicContact CE1-CD1 3.56Å; Y474-I478 HydrophobicContact CE1-CG1 4.05Å; Y474-I478 WeakPolarHBondContact O-CG1 3.34Å; Y474-I478 PolarHBondContact O-N 2.98Å
475K98.9Very high98.7Very high83 Ų8342.2 Ų42.236%0.36122%0.215SC..Hα-helixtrans-55.3-43.4167.7-178.8-178.6179.1-64.80112.2E88 M89 F471 N472 W473 I478 A479E88-K475 VanDerWaalsContact O-CD 3.29Å; E88-K475 WeakPolarHBondContact O-CD 3.34Å; E88-K475 WeakPolarHBondContact O-CE 3.31Å; M89-K475 WeakPolarHBondContact O-CA 3.24Å; F471-K475 WeakPolarHBondContact O-CB 3.38Å; F471-K475 PolarHBondContact O-N 2.78Å; N472-K475 WeakPolarHBondContact O-CB 3.38Å; W473-K475 VanDerWaalsContact C-N 3.28Å; W473-K475 PolarHBondContact O-N 2.92Å; K475-I478 PolarHBondContact O-N 2.73Å; K475-A479 WeakPolarHBondContact O-CB 3.5Å; K475-A479 PolarHBondContact O-N 3.13Å
476E98.9Very high98.7Very high84 Ų8442.3 Ų42.339%0.39322%0.218SC..Hα-helixtrans-72.4-36.6178.1-175.960.1-161.300112.2N472 W473 Y474 I478 A479 S480 N484N472-E476 PolarHBondContact O-N 2.89Å; N472-E476 VanDerWaalsContact O-N 3.17Å; W473-E476 WeakPolarHBondContact O-CA 3.25Å; W473-E476 WeakPolarHBondContact O-CB 3.43Å; W473-E476 PolarHBondContact O-N 2.77Å; Y474-E476 VanDerWaalsContact C-N 3.27Å; Y474-E476 PolarHBondContact O-N 3.06Å; E476-I478 VanDerWaalsContact C-N 3.32Å; E476-I478 PolarHBondContact O-N 2.89Å; E476-A479 PolarHBondContact O-N 3.46Å; E476-S480 VanDerWaalsContact O-CB 3.31Å; E476-S480 WeakPolarHBondContact O-CB 3.41Å; E476-S480 PolarHBondContact O-N 3.22Å; E476-S480 PolarHBondContact O-OG 3.22Å; E476-N484 HydrophobicContact CG-CB 4.16Å; E476-N484 VanDerWaalsContact CG-ND2 3.27Å; E476-N484 WeakPolarHBondContact CG-ND2 3.31Å; E476-N484 PolarHBondContact OE1-ND2 3.39Å
477V98.9Very high98.7Very high0 Ų042.5 Ų42.50%022%0.216CC..Hα-helixtrans-54.6-50.8170.3174.30000109.9W20 I411 W473 Y474 S480 N481 G482 L485W20-V477 HydrophobicContact CE3-CG1 4.41Å; W20-V477 HydrophobicContact CH2-CG1 3.85Å; W20-V477 HydrophobicContact CZ2-CG1 4.3Å; W20-V477 HydrophobicContact CZ3-CG1 3.92Å; I411-V477 HydrophobicContact CD1-CG1 4.09Å; W473-V477 HydrophobicContact CD2-CG2 4.11Å; W473-V477 HydrophobicContact CE3-CG2 4.49Å; W473-V477 HydrophobicContact CH2-CG2 4.01Å; W473-V477 HydrophobicContact CZ2-CG2 3.58Å; W473-V477 HydrophobicContact CZ3-CG2 4.44Å; W473-V477 WeakPolarHBondContact O-CG2 3.28Å; W473-V477 PolarHBondContact O-N 3.3Å; Y474-V477 HydrophobicContact CD2-CB 4.07Å; Y474-V477 HydrophobicContact CD2-CG1 4.2Å; Y474-V477 HydrophobicContact CD2-CG2 4.35Å; Y474-V477 HydrophobicContact CE2-CG1 4.21Å; Y474-V477 WeakPolarHBondContact O-CB 3.28Å; Y474-V477 PolarHBondContact O-N 3.11Å; V477-S480 PolarHBondContact O-N 3.24Å; V477-S480 PolarHBondContact O-OG 3.33Å; V477-S480 VanDerWaalsContact O-OG 3.13Å; V477-N481 PolarHBondContact O-N 3.03Å; V477-N481 VanDerWaalsContact O-N 3.11Å; V477-G482 PolarHBondContact O-N 3.38Å; V477-L485 HydrophobicContact CB-CD2 4.41Å; V477-L485 HydrophobicContact CG1-CD2 3.91Å; V477-L485 HydrophobicContact CG2-CD2 3.86Å
478I98.9Very high98.7Very high9 Ų939.1 Ų39.15%0.04621%0.206CC..Hα-helixtrans-66.7-45.1-179-60.4171.7000111.3W20 M89 G90 F91 Y474 K475 E476 S480 N481W20-I478 HydrophobicContact CB-CB 4.46Å; W20-I478 HydrophobicContact CB-CD1 4.1Å; W20-I478 HydrophobicContact CB-CG1 3.72Å; W20-I478 HydrophobicContact CB-CG2 4.08Å; W20-I478 HydrophobicContact CD2-CG1 4.43Å; W20-I478 HydrophobicContact CG-CB 4.49Å; W20-I478 HydrophobicContact CG-CG1 3.99Å; W20-I478 HydrophobicContact CG-CG2 4.23Å; M89-I478 WeakPolarHBondContact O-CD1 3.47Å; G90-I478 VanDerWaalsContact O-CG2 3.29Å; G90-I478 WeakPolarHBondContact O-CG2 3.47Å; F91-I478 HydrophobicContact CD1-CD1 3.73Å; F91-I478 HydrophobicContact CE1-CD1 4.19Å; Y474-I478 HydrophobicContact CD1-CD1 3.74Å; Y474-I478 HydrophobicContact CD1-CG1 4.24Å; Y474-I478 HydrophobicContact CE1-CD1 3.56Å; Y474-I478 HydrophobicContact CE1-CG1 4.05Å; Y474-I478 WeakPolarHBondContact O-CG1 3.34Å; Y474-I478 PolarHBondContact O-N 2.98Å; K475-I478 PolarHBondContact O-N 2.73Å; E476-I478 VanDerWaalsContact C-N 3.32Å; E476-I478 PolarHBondContact O-N 2.89Å; I478-S480 VanDerWaalsContact C-N 3.25Å; I478-S480 PolarHBondContact O-N 2.66Å; I478-N481 PolarHBondContact O-N 3.05Å
479A98.7Very high98.7Very high75 Ų7541.1 Ų41.162%0.6222%0.217SC*.Hα-helixtrans-59.9-37.1-179.400000112.5K475 E476 N481K475-A479 WeakPolarHBondContact O-CB 3.5Å; K475-A479 PolarHBondContact O-N 3.13Å; E476-A479 PolarHBondContact O-N 3.46Å; A479-N481 VanDerWaalsContact C-N 3.33Å
480S98.8Very high98.7Very high29 Ų2938 Ų3820%0.20321%0.205CC..THydrogen-bonded Turntrans-86.90.3177.368.20000113.9E476 V477 I478 G482 E483 N484E476-S480 VanDerWaalsContact O-CB 3.31Å; E476-S480 WeakPolarHBondContact O-CB 3.41Å; E476-S480 PolarHBondContact O-N 3.22Å; E476-S480 PolarHBondContact O-OG 3.22Å; V477-S480 PolarHBondContact O-N 3.24Å; V477-S480 PolarHBondContact O-OG 3.33Å; V477-S480 VanDerWaalsContact O-OG 3.13Å; I478-S480 VanDerWaalsContact C-N 3.25Å; I478-S480 PolarHBondContact O-N 2.66Å; S480-G482 PolarHBondContact O-N 3.05Å; S480-E483 WeakPolarHBondContact O-CB 3.39Å; S480-E483 WeakPolarHBondContact O-CG 3.38Å; S480-E483 PolarHBondContact O-N 2.95Å; S480-E483 PolarHBondContact OG-N 2.95Å; S480-N484 PolarHBondContact OG-N 2.69Å; S480-N484 PolarHBondContact OG-O 3.18Å
481N98.7Very high98.6Very high22 Ų2240.5 Ų40.512%0.11822%0.219CC..THydrogen-bonded Turntrans52.241.2-170.9-160.636.5000113.1L14 P15 W20 V477 I478 A479L14-N481 PolarHBondContact O-ND2 3.13Å; P15-N481 PolarHBondContact O-ND2 3.3Å; W20-N481 PolarHBondContact NE1-OD1 2.89Å; V477-N481 PolarHBondContact O-N 3.03Å; V477-N481 VanDerWaalsContact O-N 3.11Å; I478-N481 PolarHBondContact O-N 3.05Å; A479-N481 VanDerWaalsContact C-N 3.33Å
482G98.5Very high98.6Very high0 Ų043.4 Ų43.40%024%0.235CC..THydrogen-bonded Turntrans80.76.8-18000000114.8K415 V477 S480 L485K415-G482 WeakPolarHBondContact CD-O 3.49Å; K415-G482 WeakPolarHBondContact CE-O 3.41Å; K415-G482 PolarHBondContact NZ-O 3.34Å; V477-G482 PolarHBondContact O-N 3.38Å; S480-G482 PolarHBondContact O-N 3.05Å; G482-L485 WeakPolarHBondContact O-CD2 3.45Å; G482-L485 WeakPolarHBondContact O-CG 3.48Å
483E98.3Very high98.6Very high60 Ų6039.5 Ų39.528%0.2821%0.214SC..SBendtrans-81.2-24.4-179.1-68.3-61.710100114K11 T13 K415 S480K11-E483 VanDerWaalsContact CE-OE2 3.26Å; K11-E483 WeakPolarHBondContact CE-OE2 3.45Å; K11-E483 IonicContact NZ-OE2 3.57Å; K11-E483 PolarHBondContact NZ-OE2 3.16Å; T13-E483 HydrophobicContact CG2-CG 3.96Å; K415-E483 VanDerWaalsContact CE-OE1 3.24Å; K415-E483 WeakPolarHBondContact CE-OE1 3.3Å; K415-E483 IonicContact NZ-OE1 3.98Å; K415-E483 PolarHBondContact NZ-OE1 3.35Å; S480-E483 WeakPolarHBondContact O-CB 3.39Å; S480-E483 WeakPolarHBondContact O-CG 3.38Å; S480-E483 PolarHBondContact O-N 2.95Å; S480-E483 PolarHBondContact OG-N 2.95Å
484N98.2Very high98.6Very high84 Ų8440.4 Ų40.445%0.44922%0.223SC..  trans-112.5110.4172-169.510.7000108.7E476 S480E476-N484 HydrophobicContact CG-CB 4.16Å; E476-N484 VanDerWaalsContact CG-ND2 3.27Å; E476-N484 WeakPolarHBondContact CG-ND2 3.31Å; E476-N484 PolarHBondContact OE1-ND2 3.39Å; S480-N484 PolarHBondContact OG-N 2.69Å; S480-N484 PolarHBondContact OG-O 3.18Å
485L97.3Very high98.5Very high39 Ų3944.1 Ų44.120%0.20424%0.243CC..  trans-119.40-177-55.3-179.6000110.7R408 I411 E412 K415 W473 V477 G482R408-L485 HydrophobicContact CG-CB 3.96Å; R408-L485 VanDerWaalsContact NH1-C 3.26Å; R408-L485 PolarHBondContact NH1-O 2.8Å; R408-L485 PolarHBondContact NH1-OXT 3.36Å; I411-L485 HydrophobicContact CB-CD1 4.39Å; I411-L485 HydrophobicContact CB-CD2 4.44Å; I411-L485 HydrophobicContact CG2-CD1 3.84Å; I411-L485 HydrophobicContact CG2-CD2 3.62Å; I411-L485 HydrophobicContact CG2-CG 4.41Å; E412-L485 HydrophobicContact CG-CD1 3.54Å; K415-L485 HydrophobicContact CD-CD1 4.46Å; W473-L485 PolarHBondContact NE1-OXT 2.69Å; V477-L485 HydrophobicContact CB-CD2 4.41Å; V477-L485 HydrophobicContact CG1-CD2 3.91Å; V477-L485 HydrophobicContact CG2-CD2 3.86Å; G482-L485 WeakPolarHBondContact O-CD2 3.45Å; G482-L485 WeakPolarHBondContact O-CG 3.48Å

Retrieved 485 of 485 residues in 106.4 ms (Link to these results)

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