A0A077Z5M0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5M0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 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
1M68.5Low63.7Low73 Ų7352.1 Ų52.136%0.3627%0.268SS..  0129.60-161.8-159.4-16900109.8I3 V9 F11 L73 V75 A111M1-I3 HydrophobicContact SD-CD1 4.28Å; M1-I3 HydrophobicContact SD-CG1 3.95Å; M1-V9 HydrophobicContact CE-CB 4.14Å; M1-V9 HydrophobicContact CE-CG1 3.39Å; M1-V9 HydrophobicContact CE-CG2 3.66Å; M1-V9 HydrophobicContact SD-CG1 3.92Å; M1-V9 HydrophobicContact SD-CG2 4.25Å; M1-F11 HydrophobicContact CE-CZ 4.23Å; M1-F11 HydrophobicContact SD-CE1 4.21Å; M1-F11 HydrophobicContact SD-CE2 4.09Å; M1-F11 HydrophobicContact SD-CZ 3.36Å; M1-F11 WeakPolarHBondContact SD-CZ 3.24Å; M1-L73 HydrophobicContact CB-CB 4.39Å; M1-L73 PolarHBondContact N-O 3.46Å; M1-L73 PolarHBondContact O-N 2.7Å; M1-V75 HydrophobicContact CB-CG2 4.1Å; M1-A111 HydrophobicContact CE-CB 4.46Å
2V69.8Low63.6Low85 Ų8551.3 Ų51.352%0.51527%0.267SS..EExtended strand (participates in β ladder)trans-103.8124.2172.8-178.90000107.8V69 V72V2-V69 HydrophobicContact CG1-CG1 3.82Å; V2-V69 HydrophobicContact CG1-CG2 4.07Å; V2-V72 HydrophobicContact CG2-CG2 4.49Å
3I66.7Low63.6Low0 Ų047.4 Ų47.40%025%0.247CC..EExtended strand (participates in β ladder)trans-104.8117.6176.8-53-172.3000108.4M1 V9 F53 I55 G70 A71 L73M1-I3 HydrophobicContact SD-CD1 4.28Å; M1-I3 HydrophobicContact SD-CG1 3.95Å; I3-V9 HydrophobicContact CB-CG2 4.45Å; I3-V9 HydrophobicContact CD1-CB 4.21Å; I3-V9 HydrophobicContact CD1-CG2 3.72Å; I3-V9 HydrophobicContact CG1-CG2 3.87Å; I3-V9 HydrophobicContact CG2-CG2 3.86Å; I3-F53 HydrophobicContact CD1-CB 3.62Å; I3-F53 HydrophobicContact CD1-CD1 4.3Å; I3-F53 HydrophobicContact CD1-CG 4.11Å; I3-I55 HydrophobicContact CB-CD1 3.59Å; I3-I55 HydrophobicContact CG2-CD1 3.34Å; I3-I55 HydrophobicContact CG2-CG1 4.24Å; I3-G70 WeakPolarHBondContact O-CA 3.36Å; I3-G70 PolarHBondContact O-N 3.29Å; I3-A71 PolarHBondContact N-O 3.02Å; I3-A71 PolarHBondContact O-N 3.03Å; I3-A71 VanDerWaalsContact O-N 3.11Å; I3-L73 HydrophobicContact CD1-CD1 3.34Å; I3-L73 HydrophobicContact CD1-CG 4.46Å; I3-L73 HydrophobicContact CG1-CD1 3.99Å
4P64Low63.9Low45 Ų4544 Ų4429%0.29223%0.23SC..EExtended strand (participates in β ladder)trans-61.7152174-21.833.8000111.9Q6 K7P4-Q6 PolarHBondContact O-N 2.95Å; P4-K7 HydrophobicContact CB-CD 4.06Å; P4-K7 HydrophobicContact CB-CG 4.18Å; P4-K7 HydrophobicContact CG-CD 4.05Å; P4-K7 PolarHBondContact O-N 3.15Å
5L62Low64.4Low41 Ų4141.1 Ų41.122%0.21522%0.215CC..THydrogen-bonded Turntrans-52.3140.8174-155.277.4000110.7K7 I55 T59 Q68L5-K7 PolarHBondContact O-N 3.24Å; L5-K7 VanDerWaalsContact O-N 3.15Å; L5-I55 HydrophobicContact CD1-CG2 4.09Å; L5-T59 HydrophobicContact CD2-CG2 3.84Å; L5-Q68 HydrophobicContact CB-CB 3.96Å; L5-Q68 WeakPolarHBondContact CB-O 3.26Å; L5-Q68 HydrophobicContact CD2-CB 4.27Å; L5-Q68 PolarHBondContact N-O 2.94Å
6Q58.6Low65.2Low130 Ų13039.9 Ų39.961%0.60721%0.207SC*.THydrogen-bonded Turntrans59.719.4177.8-56.4179.6-1200115.7P4P4-Q6 PolarHBondContact O-N 2.95Å
7K61.8Low65.8Low107 Ų10737.8 Ų37.847%0.46520%0.197SC..  trans-106.8141.9171.5-67.6-160.1-179.6-174.80111.9P4 L5P4-K7 HydrophobicContact CB-CD 4.06Å; P4-K7 HydrophobicContact CB-CG 4.18Å; P4-K7 HydrophobicContact CG-CD 4.05Å; P4-K7 PolarHBondContact O-N 3.15Å; L5-K7 PolarHBondContact O-N 3.24Å; L5-K7 VanDerWaalsContact O-N 3.15Å
8N62.3Low66.6Low73 Ų7339.8 Ų39.839%0.3920%0.201SC..  trans-95.3138.7171-64.7-32.1000109.8F53 G54 P114N8-F53 VanDerWaalsContact CA-O 3.32Å; N8-F53 WeakPolarHBondContact CA-O 3.39Å; N8-G54 VanDerWaalsContact OD1-CA 3.24Å; N8-G54 WeakPolarHBondContact OD1-CA 3.36Å; N8-P114 WeakPolarHBondContact O-CD 3.42Å
9V61.4Low67.4Low1 Ų138 Ų381%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-116.9130.9172-179.60000108.6M1 I3 F11 Q52 F53M1-V9 HydrophobicContact CE-CB 4.14Å; M1-V9 HydrophobicContact CE-CG1 3.39Å; M1-V9 HydrophobicContact CE-CG2 3.66Å; M1-V9 HydrophobicContact SD-CG1 3.92Å; M1-V9 HydrophobicContact SD-CG2 4.25Å; I3-V9 HydrophobicContact CB-CG2 4.45Å; I3-V9 HydrophobicContact CD1-CB 4.21Å; I3-V9 HydrophobicContact CD1-CG2 3.72Å; I3-V9 HydrophobicContact CG1-CG2 3.87Å; I3-V9 HydrophobicContact CG2-CG2 3.86Å; V9-F11 HydrophobicContact CB-CE2 4.05Å; V9-F11 HydrophobicContact CG1-CD2 3.78Å; V9-F11 HydrophobicContact CG1-CE1 4.39Å; V9-F11 HydrophobicContact CG1-CE2 3.31Å; V9-F11 HydrophobicContact CG1-CZ 3.7Å; V9-Q52 WeakPolarHBondContact O-CA 3.18Å; V9-F53 HydrophobicContact CB-CB 4.4Å; V9-F53 PolarHBondContact N-O 3.46Å; V9-F53 PolarHBondContact O-N 3.14Å
10V61.9Low68.2Low13 Ų1340.3 Ų40.38%0.07920%0.204CC..EExtended strand (participates in β ladder)trans-104.6131.4174.3-174.70000109L50 Q52 V112 P114V10-L50 HydrophobicContact CG1-CB 4.07Å; V10-L50 HydrophobicContact CG1-CD1 4.27Å; V10-L50 HydrophobicContact CG1-CD2 4.32Å; V10-L50 HydrophobicContact CG1-CG 4.47Å; V10-Q52 HydrophobicContact CG2-CG 4.3Å; V10-V112 PolarHBondContact N-O 3.03Å; V10-V112 PolarHBondContact O-N 3.26Å; V10-P114 HydrophobicContact CG2-CG 4.39Å
11F63.5Low68.8Low5 Ų543.4 Ų43.42%0.02222%0.221CC..EExtended strand (participates in β ladder)trans-116.8138.7173.1-67.7-89.8000111.2M1 V9 L15 A42 S51 F53 A111M1-F11 HydrophobicContact CE-CZ 4.23Å; M1-F11 HydrophobicContact SD-CE1 4.21Å; M1-F11 HydrophobicContact SD-CE2 4.09Å; M1-F11 HydrophobicContact SD-CZ 3.36Å; M1-F11 WeakPolarHBondContact SD-CZ 3.24Å; V9-F11 HydrophobicContact CB-CE2 4.05Å; V9-F11 HydrophobicContact CG1-CD2 3.78Å; V9-F11 HydrophobicContact CG1-CE1 4.39Å; V9-F11 HydrophobicContact CG1-CE2 3.31Å; V9-F11 HydrophobicContact CG1-CZ 3.7Å; F11-L15 HydrophobicContact CB-CD2 3.96Å; F11-L15 HydrophobicContact CD1-CD2 3.42Å; F11-L15 VanDerWaalsContact CD1-CD2 3.42Å; F11-L15 HydrophobicContact CD2-CD2 4.48Å; F11-L15 HydrophobicContact CE1-CD2 3.87Å; F11-L15 HydrophobicContact CG-CD2 3.73Å; F11-A42 WeakPolarHBondContact O-CB 3.22Å; F11-S51 PolarHBondContact N-O 2.7Å; F11-F53 AromaticContact CD2-CD2 3.47Å; F11-F53 HydrophobicContact CD2-CD2 3.47Å; F11-F53 VanDerWaalsContact CD2-CD2 3.47Å; F11-F53 AromaticContact CD2-CE2 3.33Å; F11-F53 HydrophobicContact CD2-CE2 3.33Å; F11-F53 HydrophobicContact CD2-CZ 4.47Å; F11-F53 AromaticContact CE2-CD2 3.34Å; F11-F53 HydrophobicContact CE2-CD2 3.34Å; F11-F53 AromaticContact CE2-CE2 3.3Å; F11-F53 HydrophobicContact CE2-CE2 3.3Å; F11-F53 HydrophobicContact CE2-CG 4.24Å; F11-F53 HydrophobicContact CE2-CZ 4.18Å; F11-F53 HydrophobicContact CG-CE2 4.43Å; F11-F53 HydrophobicContact CZ-CE2 4.38Å; F11-A111 HydrophobicContact CD1-CB 3.72Å; F11-A111 HydrophobicContact CE1-CB 3.51Å; F11-A111 HydrophobicContact CZ-CB 4.34Å
12V62.8Low69.4Low42 Ų4241.2 Ų41.226%0.25522%0.217SC..EExtended strand (participates in β ladder)trans-118.3136.3167.3-174.70000108.3L50 P109 T110V12-L50 HydrophobicContact CG2-CD2 3.68Å; V12-P109 WeakPolarHBondContact O-CA 3.46Å; V12-P109 WeakPolarHBondContact O-CB 3.48Å; V12-T110 PolarHBondContact N-O 3.26Å; V12-T110 PolarHBondContact O-N 3.35Å
13G62.9Low69.5Low1 Ų140.9 Ų40.91%0.0121%0.21CC..EExtended strand (participates in β ladder)trans110.6-170.4-176.500000112.9A42G13-A42 PolarHBondContact N-O 3.3Å; G13-A42 PolarHBondContact O-N 2.86Å
14S68Low69.7Low0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-106.5134.1174.6-51.70000111I40 H41 A78 Y95S14-I40 CarbonylContact C-O 3.6Å; S14-I40 VanDerWaalsContact CA-O 3.28Å; S14-I40 WeakPolarHBondContact CA-O 3.31Å; S14-H41 WeakPolarHBondContact CB-ND1 3.4Å; S14-H41 PolarHBondContact OG-ND1 2.79Å; S14-A78 WeakPolarHBondContact O-CB 3.39Å; S14-A78 PolarHBondContact O-N 2.88Å; S14-A78 VanDerWaalsContact O-N 3.12Å; S14-Y95 WeakPolarHBondContact CB-OH 3.29Å; S14-Y95 PolarHBondContact N-OH 2.9Å; S14-Y95 PolarHBondContact OG-OH 2.84Å
15L71.4Confident69.7Low1 Ų140.7 Ų40.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-145.5152.8176.960.685.2000110.9F11 F17 I40 V75 R76 P109F11-L15 HydrophobicContact CB-CD2 3.96Å; F11-L15 HydrophobicContact CD1-CD2 3.42Å; F11-L15 VanDerWaalsContact CD1-CD2 3.42Å; F11-L15 HydrophobicContact CD2-CD2 4.48Å; F11-L15 HydrophobicContact CE1-CD2 3.87Å; F11-L15 HydrophobicContact CG-CD2 3.73Å; L15-F17 HydrophobicContact CD1-CB 3.85Å; L15-F17 HydrophobicContact CD1-CD1 4.23Å; L15-F17 HydrophobicContact CD1-CG 4.47Å; L15-I40 HydrophobicContact CD1-CB 4.12Å; L15-I40 HydrophobicContact CD1-CD1 4.46Å; L15-I40 HydrophobicContact CD1-CG1 4.45Å; L15-I40 HydrophobicContact CG-CB 4.41Å; L15-I40 PolarHBondContact N-O 3.44Å; L15-I40 PolarHBondContact O-N 2.78Å; L15-V75 HydrophobicContact CB-CG1 4.06Å; L15-V75 HydrophobicContact CD1-CG1 4.13Å; L15-V75 HydrophobicContact CD2-CG1 3.95Å; L15-V75 HydrophobicContact CG-CG1 4.28Å; L15-R76 CarbonylContact C-O 3.47Å; L15-R76 WeakPolarHBondContact CA-O 3.32Å; L15-P109 HydrophobicContact CB-CG 4.33Å; L15-P109 HydrophobicContact CD2-CB 4.23Å; L15-P109 HydrophobicContact CD2-CG 4.08Å
16Q76.9Confident70Confident21 Ų2138.9 Ų38.910%0.09820%0.2CC..EExtended strand (participates in β ladder)trans-91.4143.1158.3-73173.4-26.800109.1E37 K38 W39 V75 R76Q16-E37 PolarHBondContact OE1-OE2 3.12Å; Q16-K38 CarbonylContact C-O 3.47Å; Q16-K38 VanDerWaalsContact CA-O 3.28Å; Q16-K38 WeakPolarHBondContact CA-O 3.09Å; Q16-W39 VanDerWaalsContact CD-CE2 3.49Å; Q16-W39 HydrophobicContact CG-CD2 3.32Å; Q16-W39 HydrophobicContact CG-CE3 3.57Å; Q16-W39 HydrophobicContact CG-CG 3.95Å; Q16-W39 HydrophobicContact CG-CH2 3.69Å; Q16-W39 HydrophobicContact CG-CZ2 3.48Å; Q16-W39 VanDerWaalsContact CG-CZ2 3.48Å; Q16-W39 HydrophobicContact CG-CZ3 3.72Å; Q16-V75 CarbonylContact O-C 3.48Å; Q16-V75 WeakPolarHBondContact O-CA 3.28Å; Q16-R76 HydrophobicContact CB-CB 4.25Å; Q16-R76 PolarHBondContact N-O 2.82Å; Q16-R76 PolarHBondContact O-N 3.16Å
17F76.7Confident70.2Confident5 Ų534.1 Ų34.12%0.02218%0.178CC..EExtended strand (participates in β ladder)trans-134.8155.2171.477.9-76.9000111.9L15 V19 I26 A31 E37 K38 I40 F53 L73 L74 V75L15-F17 HydrophobicContact CD1-CB 3.85Å; L15-F17 HydrophobicContact CD1-CD1 4.23Å; L15-F17 HydrophobicContact CD1-CG 4.47Å; F17-V19 HydrophobicContact CD2-CG2 4.5Å; F17-V19 HydrophobicContact CE2-CG2 4.31Å; F17-I26 HydrophobicContact CD2-CD1 4.11Å; F17-I26 HydrophobicContact CE1-CD1 4.08Å; F17-I26 HydrophobicContact CE2-CD1 3.25Å; F17-I26 HydrophobicContact CZ-CD1 3.23Å; F17-A31 HydrophobicContact CE2-CB 4.28Å; F17-E37 WeakPolarHBondContact O-CA 3.39Å; F17-K38 HydrophobicContact CD1-CB 3.99Å; F17-K38 WeakPolarHBondContact CD1-O 3.45Å; F17-K38 HydrophobicContact CE1-CB 3.37Å; F17-K38 HydrophobicContact CE1-CD 4.41Å; F17-K38 HydrophobicContact CE2-CB 4.44Å; F17-K38 HydrophobicContact CE2-CD 4.43Å; F17-K38 HydrophobicContact CZ-CB 3.66Å; F17-K38 HydrophobicContact CZ-CD 3.84Å; F17-K38 HydrophobicContact CZ-CG 4.36Å; F17-K38 PolarHBondContact N-O 3.3Å; F17-K38 PolarHBondContact O-N 2.69Å; F17-I40 HydrophobicContact CD1-CD1 3.45Å; F17-I40 VanDerWaalsContact CD1-CD1 3.45Å; F17-I40 HydrophobicContact CD1-CG1 3.51Å; F17-I40 HydrophobicContact CE1-CD1 3.3Å; F17-I40 HydrophobicContact CE1-CG1 3.34Å; F17-I40 HydrophobicContact CG-CD1 4.35Å; F17-I40 HydrophobicContact CZ-CD1 4.1Å; F17-I40 HydrophobicContact CZ-CG1 4.46Å; F17-F53 HydrophobicContact CD1-CZ 4.42Å; F17-F53 AromaticContact CD2-CE1 3.97Å; F17-F53 HydrophobicContact CD2-CE1 3.97Å; F17-F53 HydrophobicContact CD2-CZ 4.28Å; F17-F53 HydrophobicContact CE2-CE1 4.21Å; F17-F53 HydrophobicContact CG-CE1 4.28Å; F17-F53 HydrophobicContact CG-CZ 4.14Å; F17-L73 HydrophobicContact CD2-CD2 3.84Å; F17-L74 CarbonylContact C-O 3.48Å; F17-L74 WeakPolarHBondContact CA-O 3.48Å; F17-V75 HydrophobicContact CB-CG2 4.37Å
18R80.4Confident70Confident74 Ų7431.4 Ų31.428%0.27918%0.179SC..EExtended strand (participates in β ladder)trans-141.4130170.3169.4-178.7172.2-171.5-2.4108.8L20 S34 E37 L73 L74R18-L20 HydrophobicContact CG-CD2 4.24Å; R18-L20 PolarHBondContact O-N 2.7Å; R18-S34 WeakPolarHBondContact CD-O 3.22Å; R18-S34 VanDerWaalsContact CG-O 3.32Å; R18-S34 WeakPolarHBondContact CG-O 3.26Å; R18-S34 PolarHBondContact NE-O 3.29Å; R18-E37 HydrophobicContact CB-CG 4.08Å; R18-L73 CarbonylContact O-C 3.59Å; R18-L73 WeakPolarHBondContact O-CA 3.49Å; R18-L74 HydrophobicContact CB-CB 4.22Å; R18-L74 PolarHBondContact N-O 3.45Å; R18-L74 PolarHBondContact O-N 3.06Å
19V81.4Confident70.1Confident5 Ų529.6 Ų29.63%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-75.3123.1173.1-173.70000107.8F17 G22 A31 P33 S34 L73F17-V19 HydrophobicContact CD2-CG2 4.5Å; F17-V19 HydrophobicContact CE2-CG2 4.31Å; V19-G22 WeakPolarHBondContact CG1-O 3.46Å; V19-A31 HydrophobicContact CG2-CB 3.78Å; V19-P33 HydrophobicContact CG1-CG 4.08Å; V19-P33 VanDerWaalsContact O-CA 3.29Å; V19-P33 WeakPolarHBondContact O-CA 3.45Å; V19-S34 PolarHBondContact O-N 3.4Å; V19-L73 HydrophobicContact CB-CD2 4.36Å; V19-L73 HydrophobicContact CG2-CD2 3.71Å
20L82.3Confident70.5Confident83 Ų8335.8 Ų35.844%0.43520%0.195SC..EExtended strand (participates in β ladder)trans-97-38.1176.8-61.9-178.6000111.4R18 V72 L74R18-L20 HydrophobicContact CG-CD2 4.24Å; R18-L20 PolarHBondContact O-N 2.7Å; L20-V72 HydrophobicContact CB-CB 4.33Å; L20-V72 HydrophobicContact CB-CG1 4.24Å; L20-V72 HydrophobicContact CD1-CG1 4.18Å; L20-V72 PolarHBondContact N-O 3.02Å; L20-L74 HydrophobicContact CD1-CB 4.04Å; L20-L74 HydrophobicContact CD2-CB 4.24Å; L20-L74 HydrophobicContact CG-CB 4.08Å
21L82.1Confident71Confident107 Ų10735.4 Ų35.456%0.5619%0.193SC*.EExtended strand (participates in β ladder)trans-148.6148.8-177.7-17171.2000110A71 V72L21-A71 CarbonylContact O-C 3.51Å; L21-A71 VanDerWaalsContact O-CA 3.22Å; L21-A71 WeakPolarHBondContact O-CA 3.41Å; L21-V72 HydrophobicContact CB-CB 3.94Å; L21-V72 HydrophobicContact CB-CG2 3.95Å; L21-V72 HydrophobicContact CD2-CG2 4.19Å; L21-V72 PolarHBondContact N-O 3.32Å; L21-V72 PolarHBondContact O-N 2.97Å
22G79.9Confident71.8Confident26 Ų2638.4 Ų38.427%0.26821%0.212SC..EExtended strand (participates in β ladder)trans73.9-165.5177.600000113.3V19 P33 G70V19-G22 WeakPolarHBondContact CG1-O 3.46Å; G22-P33 VanDerWaalsContact O-CD 3.24Å; G22-P33 WeakPolarHBondContact O-CD 3.45Å; G22-P33 WeakPolarHBondContact O-CG 3.27Å; G22-G70 WeakPolarHBondContact CA-O 3.22Å
23E72.8Confident72.8Confident78 Ų7839.8 Ų39.836%0.36422%0.222SC..  trans-133.6139.2-177.2-56.4-175.8138.700109.7K30 V32E23-K30 WeakPolarHBondContact OE1-CE 3.24Å; E23-K30 IonicContact OE1-NZ 3.84Å; E23-K30 PolarHBondContact OE1-NZ 2.91Å; E23-K30 WeakPolarHBondContact OE2-CE 3.45Å; E23-K30 IonicContact OE2-NZ 2.9Å; E23-K30 PolarHBondContact OE2-NZ 3.45Å; E23-V32 HydrophobicContact CG-CG1 4.3Å
24C70.4Confident73.7Confident3 Ų341.8 Ų41.82%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-135.6140.3174.861.50000110.5A31 F53 I55 A71C24-A31 PolarHBondContact N-O 3.28Å; C24-A31 WeakPolarHBondContact O-CA 3.47Å; C24-A31 WeakPolarHBondContact O-CB 3.11Å; C24-A31 PolarHBondContact O-N 2.75Å; C24-F53 HydrophobicContact CB-CD1 4.2Å; C24-I55 HydrophobicContact CB-CG1 4.16Å; C24-A71 HydrophobicContact CB-CB 4.24Å
25S64.8Low74.3Confident39 Ų3950.5 Ų50.527%0.27327%0.273SS..EExtended strand (participates in β ladder)trans-88.7129.5169.9-174.70000109.3G28 F29 Q52 F53 G54S25-G28 WeakPolarHBondContact OG-CA 3.33Å; S25-F29 CarbonylContact C-O 3.53Å; S25-F29 VanDerWaalsContact CA-O 3.26Å; S25-F29 WeakPolarHBondContact CA-O 2.85Å; S25-Q52 VanDerWaalsContact O-O 3.08Å; S25-F53 CarbonylContact O-C 3.51Å; S25-F53 VanDerWaalsContact O-CA 3.28Å; S25-F53 WeakPolarHBondContact O-CA 3.15Å; S25-G54 WeakPolarHBondContact CA-O 3.4Å; S25-G54 VanDerWaalsContact CB-O 3.27Å; S25-G54 WeakPolarHBondContact CB-O 3.28Å; S25-G54 PolarHBondContact N-O 2.78Å; S25-G54 PolarHBondContact O-N 2.92Å
26I68.3Low74.7Confident2 Ų257 Ų571%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-125.4111.6178-54.1164.3000107.3F17 G28 F29 A31 I40 Q52 F53 I200F17-I26 HydrophobicContact CD2-CD1 4.11Å; F17-I26 HydrophobicContact CE1-CD1 4.08Å; F17-I26 HydrophobicContact CE2-CD1 3.25Å; F17-I26 HydrophobicContact CZ-CD1 3.23Å; I26-G28 VanDerWaalsContact C-N 3.25Å; I26-G28 PolarHBondContact O-N 2.91Å; I26-F29 PolarHBondContact N-O 2.96Å; I26-F29 WeakPolarHBondContact O-CA 3.23Å; I26-F29 VanDerWaalsContact O-CB 3.26Å; I26-F29 WeakPolarHBondContact O-CB 3.46Å; I26-F29 VanDerWaalsContact O-CD2 3.28Å; I26-F29 WeakPolarHBondContact O-CD2 3.32Å; I26-F29 PolarHBondContact O-N 3.01Å; I26-A31 HydrophobicContact CD1-CB 3.89Å; I26-I40 HydrophobicContact CD1-CD1 4.33Å; I26-I40 HydrophobicContact CG2-CD1 3.84Å; I26-Q52 WeakPolarHBondContact CA-O 3.33Å; I26-F53 HydrophobicContact CD1-CD1 3.65Å; I26-F53 HydrophobicContact CD1-CE1 3.18Å; I26-F53 HydrophobicContact CD1-CZ 3.79Å; I26-F53 HydrophobicContact CG1-CD1 3.47Å; I26-F53 VanDerWaalsContact CG1-CD1 3.47Å; I26-F53 HydrophobicContact CG1-CE1 3.55Å; I26-F53 HydrophobicContact CG1-CG 4.04Å; I26-F53 HydrophobicContact CG1-CZ 4.15Å; I26-I200 HydrophobicContact CG2-CD1 4.47Å
27F62.4Low74.6Confident31 Ų3160.2 Ų60.214%0.13632%0.319CS..THydrogen-bonded Turntrans50.941.7-172.7-63.1-75.2000113.8F29 V49 L50 S51 I200F27-F29 HydrophobicContact CB-CD2 4.2Å; F27-F29 HydrophobicContact CB-CE2 4.43Å; F27-F29 WeakPolarHBondContact O-CD2 3.36Å; F27-F29 PolarHBondContact O-N 3.13Å; F27-V49 HydrophobicContact CE1-CG1 3.89Å; F27-V49 HydrophobicContact CE2-CG1 4.35Å; F27-V49 HydrophobicContact CZ-CB 4.47Å; F27-V49 HydrophobicContact CZ-CG1 3.55Å; F27-L50 WeakPolarHBondContact CE1-O 3.49Å; F27-L50 VanDerWaalsContact CZ-O 3.23Å; F27-L50 WeakPolarHBondContact CZ-O 3.45Å; F27-S51 VanDerWaalsContact CE2-CA 3.45Å; F27-S51 WeakPolarHBondContact CE2-OG 3.47Å; F27-S51 WeakPolarHBondContact CZ-OG 3.48Å; F27-I200 HydrophobicContact CD2-CG1 4.45Å; F27-I200 HydrophobicContact CD2-CG2 3.81Å; F27-I200 HydrophobicContact CE2-CG2 3.69Å
28G58.4Low74.5Confident49 Ų4963.6 Ų63.651%0.50533%0.334SS..THydrogen-bonded Turntrans79.9-6.6-175.900000114.6S25 I26S25-G28 WeakPolarHBondContact OG-CA 3.33Å; I26-G28 VanDerWaalsContact C-N 3.25Å; I26-G28 PolarHBondContact O-N 2.91Å
29F63.3Low74.1Confident35 Ų3564.4 Ų64.415%0.15434%0.337CS..EExtended strand (participates in β ladder)trans-89.5120176.8-60.6-73000111.9S25 I26 F27 A31 R166 Y170 P198 I200S25-F29 CarbonylContact C-O 3.53Å; S25-F29 VanDerWaalsContact CA-O 3.26Å; S25-F29 WeakPolarHBondContact CA-O 2.85Å; I26-F29 PolarHBondContact N-O 2.96Å; I26-F29 WeakPolarHBondContact O-CA 3.23Å; I26-F29 VanDerWaalsContact O-CB 3.26Å; I26-F29 WeakPolarHBondContact O-CB 3.46Å; I26-F29 VanDerWaalsContact O-CD2 3.28Å; I26-F29 WeakPolarHBondContact O-CD2 3.32Å; I26-F29 PolarHBondContact O-N 3.01Å; F27-F29 HydrophobicContact CB-CD2 4.2Å; F27-F29 HydrophobicContact CB-CE2 4.43Å; F27-F29 WeakPolarHBondContact O-CD2 3.36Å; F27-F29 PolarHBondContact O-N 3.13Å; F29-A31 PolarHBondContact O-N 3.26Å; F29-R166 WeakPolarHBondContact CZ-O 3.49Å; F29-Y170 HydrophobicContact CE1-CD2 4.11Å; F29-Y170 HydrophobicContact CE1-CE2 4.45Å; F29-Y170 AromaticContact CZ-CD2 3.93Å; F29-Y170 HydrophobicContact CZ-CD2 3.93Å; F29-Y170 AromaticContact CZ-CE2 3.82Å; F29-Y170 HydrophobicContact CZ-CE2 3.82Å; F29-P198 HydrophobicContact CB-CB 4.4Å; F29-P198 HydrophobicContact CD1-CB 3.5Å; F29-P198 HydrophobicContact CD1-CG 4.34Å; F29-P198 HydrophobicContact CD2-CB 3.41Å; F29-P198 VanDerWaalsContact CD2-CB 3.41Å; F29-P198 HydrophobicContact CD2-CG 4.39Å; F29-P198 HydrophobicContact CE1-CB 3.47Å; F29-P198 VanDerWaalsContact CE1-CB 3.47Å; F29-P198 HydrophobicContact CE2-CB 3.39Å; F29-P198 HydrophobicContact CG-CB 3.47Å; F29-P198 VanDerWaalsContact CG-CB 3.47Å; F29-P198 HydrophobicContact CG-CG 4.19Å; F29-P198 HydrophobicContact CZ-CB 3.42Å; F29-P198 VanDerWaalsContact CZ-CB 3.42Å; F29-I200 HydrophobicContact CD2-CG1 4.49Å
30K69.8Low73.6Confident131 Ų13164.2 Ų64.257%0.5734%0.336SS*.EExtended strand (participates in β ladder)trans-69.3112.6171.5-166.7175.7-179.1-179.60110.4E23 V32E23-K30 WeakPolarHBondContact OE1-CE 3.24Å; E23-K30 IonicContact OE1-NZ 3.84Å; E23-K30 PolarHBondContact OE1-NZ 2.91Å; E23-K30 WeakPolarHBondContact OE2-CE 3.45Å; E23-K30 IonicContact OE2-NZ 2.9Å; E23-K30 PolarHBondContact OE2-NZ 3.45Å; K30-V32 HydrophobicContact CG-CG1 4.35Å
31A72Confident72.9Confident5 Ų561.5 Ų61.54%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-98.3127.4169.700000109.6F17 V19 C24 I26 F29F17-A31 HydrophobicContact CE2-CB 4.28Å; V19-A31 HydrophobicContact CG2-CB 3.78Å; C24-A31 PolarHBondContact N-O 3.28Å; C24-A31 WeakPolarHBondContact O-CA 3.47Å; C24-A31 WeakPolarHBondContact O-CB 3.11Å; C24-A31 PolarHBondContact O-N 2.75Å; I26-A31 HydrophobicContact CD1-CB 3.89Å; F29-A31 PolarHBondContact O-N 3.26Å
32V80.3Confident72.1Confident69 Ų6956.4 Ų56.442%0.41829%0.294SS..  trans-115.9164.5-179.7-63.40000109.5E23 K30 S34E23-V32 HydrophobicContact CG-CG1 4.3Å; K30-V32 HydrophobicContact CG-CG1 4.35Å; V32-S34 PolarHBondContact O-N 2.9Å
33P84.8Confident71.1Confident70 Ų7055.4 Ų55.446%0.45528%0.283SS..  trans-55.4128179.3-25.236.8000111.4V19 G22V19-P33 HydrophobicContact CG1-CG 4.08Å; V19-P33 VanDerWaalsContact O-CA 3.29Å; V19-P33 WeakPolarHBondContact O-CA 3.45Å; G22-P33 VanDerWaalsContact O-CD 3.24Å; G22-P33 WeakPolarHBondContact O-CD 3.45Å; G22-P33 WeakPolarHBondContact O-CG 3.27Å
34S81.9Confident70.2Confident43 Ų4355 Ų5530%0.30129%0.288SS..  trans-142.1160.8-178.4-179.40000110.1R18 V19 V32 E36R18-S34 WeakPolarHBondContact CD-O 3.22Å; R18-S34 VanDerWaalsContact CG-O 3.32Å; R18-S34 WeakPolarHBondContact CG-O 3.26Å; R18-S34 PolarHBondContact NE-O 3.29Å; V19-S34 PolarHBondContact O-N 3.4Å; V32-S34 PolarHBondContact O-N 2.9Å; S34-E36 PolarHBondContact OG-N 2.81Å; S34-E36 VanDerWaalsContact OG-N 3.12Å
35K80.4Confident68.9Low183 Ų18363.4 Ų63.480%0.79632%0.321SS*.SBendtrans-79.5-22.6168-70.8-171.9179.5-178.80112.9
36E79Confident68Low139 Ų13967.3 Ų67.365%0.6533%0.329SS*.SBendtrans-82.1138-176.5-63.8-178.4168.500111.9S34S34-E36 PolarHBondContact OG-N 2.81Å; S34-E36 VanDerWaalsContact OG-N 3.12Å
37E75.2Confident66.6Low87 Ų8770.1 Ų70.141%0.40735%0.349SS..  trans-87142.8169.4-63.2-174.516500110.2Q16 F17 R18Q16-E37 PolarHBondContact OE1-OE2 3.12Å; F17-E37 WeakPolarHBondContact O-CA 3.39Å; R18-E37 HydrophobicContact CB-CG 4.08Å
38K74.1Confident65.5Low77 Ų7772.2 Ų72.234%0.33536%0.361SS..EExtended strand (participates in β ladder)trans-122140.2-178.4-68.5178.3-178.9177.30109.7Q16 F17Q16-K38 CarbonylContact C-O 3.47Å; Q16-K38 VanDerWaalsContact CA-O 3.28Å; Q16-K38 WeakPolarHBondContact CA-O 3.09Å; F17-K38 HydrophobicContact CD1-CB 3.99Å; F17-K38 WeakPolarHBondContact CD1-O 3.45Å; F17-K38 HydrophobicContact CE1-CB 3.37Å; F17-K38 HydrophobicContact CE1-CD 4.41Å; F17-K38 HydrophobicContact CE2-CB 4.44Å; F17-K38 HydrophobicContact CE2-CD 4.43Å; F17-K38 HydrophobicContact CZ-CB 3.66Å; F17-K38 HydrophobicContact CZ-CD 3.84Å; F17-K38 HydrophobicContact CZ-CG 4.36Å; F17-K38 PolarHBondContact N-O 3.3Å; F17-K38 PolarHBondContact O-N 2.69Å
39W72.6Confident64.9Low91 Ų9170.4 Ų70.435%0.34534%0.341SS..EExtended strand (participates in β ladder)trans-87141.9176-78.4101.4000112Q16 H41 A78 E82Q16-W39 VanDerWaalsContact CD-CE2 3.49Å; Q16-W39 HydrophobicContact CG-CD2 3.32Å; Q16-W39 HydrophobicContact CG-CE3 3.57Å; Q16-W39 HydrophobicContact CG-CG 3.95Å; Q16-W39 HydrophobicContact CG-CH2 3.69Å; Q16-W39 HydrophobicContact CG-CZ2 3.48Å; Q16-W39 VanDerWaalsContact CG-CZ2 3.48Å; Q16-W39 HydrophobicContact CG-CZ3 3.72Å; W39-H41 AromaticContact CE3-CE1 3.94Å; W39-A78 HydrophobicContact CH2-CB 4.12Å; W39-A78 HydrophobicContact CZ3-CB 3.76Å; W39-E82 HydrophobicContact CH2-CB 4.45Å
40I70.4Confident64Low1 Ų169.2 Ų69.21%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-130.1133.7169.2-63.4-170.6000108.2S14 L15 F17 I26 S51 F53 I200S14-I40 CarbonylContact C-O 3.6Å; S14-I40 VanDerWaalsContact CA-O 3.28Å; S14-I40 WeakPolarHBondContact CA-O 3.31Å; L15-I40 HydrophobicContact CD1-CB 4.12Å; L15-I40 HydrophobicContact CD1-CD1 4.46Å; L15-I40 HydrophobicContact CD1-CG1 4.45Å; L15-I40 HydrophobicContact CG-CB 4.41Å; L15-I40 PolarHBondContact N-O 3.44Å; L15-I40 PolarHBondContact O-N 2.78Å; F17-I40 HydrophobicContact CD1-CD1 3.45Å; F17-I40 VanDerWaalsContact CD1-CD1 3.45Å; F17-I40 HydrophobicContact CD1-CG1 3.51Å; F17-I40 HydrophobicContact CE1-CD1 3.3Å; F17-I40 HydrophobicContact CE1-CG1 3.34Å; F17-I40 HydrophobicContact CG-CD1 4.35Å; F17-I40 HydrophobicContact CZ-CD1 4.1Å; F17-I40 HydrophobicContact CZ-CG1 4.46Å; I26-I40 HydrophobicContact CD1-CD1 4.33Å; I26-I40 HydrophobicContact CG2-CD1 3.84Å; I40-S51 WeakPolarHBondContact CG2-OG 3.22Å; I40-F53 HydrophobicContact CD1-CE2 3.94Å; I40-F53 HydrophobicContact CD1-CZ 3.57Å; I40-I200 HydrophobicContact CB-CG2 4.21Å; I40-I200 HydrophobicContact CD1-CG2 4.39Å; I40-I200 HydrophobicContact CG1-CG2 3.86Å; I40-I200 HydrophobicContact CG2-CG2 3.95Å
41H67.9Low62.9Low26 Ų2663 Ų6312%0.1231%0.308CS..EExtended strand (participates in β ladder)trans-122.8112.4172.3-56.2-77.4000108.6S14 W39 F94 G201 P202S14-H41 WeakPolarHBondContact CB-ND1 3.4Å; S14-H41 PolarHBondContact OG-ND1 2.79Å; W39-H41 AromaticContact CE3-CE1 3.94Å; H41-F94 HydrophobicContact CB-CE1 3.96Å; H41-F94 HydrophobicContact CB-CZ 4.36Å; H41-G201 WeakPolarHBondContact O-CA 3.03Å; H41-P202 VanDerWaalsContact O-CD 3.23Å; H41-P202 WeakPolarHBondContact O-CD 3.24Å
42A65.1Low61.8Low0 Ų064.2 Ų64.20%031%0.313CS..EExtended strand (participates in β ladder)trans-115.6109.7177.700000109.5F11 G13 F94F11-A42 WeakPolarHBondContact O-CB 3.22Å; G13-A42 PolarHBondContact N-O 3.3Å; G13-A42 PolarHBondContact O-N 2.86Å; A42-F94 WeakPolarHBondContact O-CD1 3.28Å
43C60.2Low60.4Low5 Ų560.9 Ų60.93%0.03429%0.293CS..  trans-89.6144.7-178.5176.60000110.4Y45 L93 F94 P202 F204C43-Y45 PolarHBondContact SG-N 3Å; C43-Y45 VanDerWaalsContact SG-N 3.4Å; C43-L93 PolarHBondContact SG-O 2.87Å; C43-F94 HydrophobicContact CB-CD1 3.88Å; C43-F94 HydrophobicContact CB-CE1 3.5Å; C43-F94 HydrophobicContact CB-CE2 4.4Å; C43-F94 HydrophobicContact CB-CG 4.47Å; C43-F94 HydrophobicContact CB-CZ 3.79Å; C43-P202 HydrophobicContact CB-CG 4.24Å; C43-F204 HydrophobicContact CB-CE2 4.34Å; C43-F204 HydrophobicContact CB-CZ 4.12Å
44S53.9Low58.6Low68 Ų6858.3 Ų58.348%0.47628%0.28SS..SBendtrans-76.5-22.9177.565.40000113.3R46 L93S44-R46 PolarHBondContact O-N 2.72Å; S44-L93 PolarHBondContact N-O 3.19Å; S44-L93 PolarHBondContact OG-O 2.89Å
45Y43.1Very low56.7Low180 Ų18057 Ų5771%0.70627%0.269SS*.SBendtrans-82.8-6.4-168-165.1-103.4000115.5C43 L93C43-Y45 PolarHBondContact SG-N 3Å; C43-Y45 VanDerWaalsContact SG-N 3.4Å; Y45-L93 HydrophobicContact CD1-CD2 3.78Å; Y45-L93 HydrophobicContact CD2-CD2 3.35Å; Y45-L93 HydrophobicContact CE1-CD2 4.43Å; Y45-L93 HydrophobicContact CE2-CD2 4.06Å; Y45-L93 HydrophobicContact CG-CD2 3.18Å
46R44.4Very low54.8Low121 Ų12153.1 Ų53.146%0.45727%0.265SS..  trans-139.7112.8162.8-78.3-145.8-114.2-165.6-3.7109.4S44 D48 V49S44-R46 PolarHBondContact O-N 2.72Å; R46-D48 HydrophobicContact CB-CB 4.44Å; R46-D48 WeakPolarHBondContact CD-OD2 3.4Å; R46-D48 PolarHBondContact O-N 3.03Å; R46-V49 PolarHBondContact O-N 2.83Å
47C38.6Very low52.8Low61 Ų6147.7 Ų47.741%0.41225%0.246SC..G310 helixtrans-51.4-19.2173.7-70.80000113V49C47-V49 PolarHBondContact O-N 2.84Å
48D39.9Very low50.8Low75 Ų7550.4 Ų50.440%0.40127%0.269SS..G310 helixtrans-59.4-14.2179.8-47.8-12.3000114.7R46 F123R46-D48 HydrophobicContact CB-CB 4.44Å; R46-D48 WeakPolarHBondContact CD-OD2 3.4Å; R46-D48 PolarHBondContact O-N 3.03Å; D48-F123 HydrophobicContact CB-CD2 4.32Å; D48-F123 HydrophobicContact CB-CE2 4Å; D48-F123 WeakPolarHBondContact O-CD2 3.08Å; D48-F123 WeakPolarHBondContact O-CE2 3.42Å
49V45.8Very low48.9Very low12 Ų1250 Ų507%0.07327%0.273CS..G310 helixtrans-140.350.5-175.8-157.20000112.8F27 R46 C47 R166F27-V49 HydrophobicContact CE1-CG1 3.89Å; F27-V49 HydrophobicContact CE2-CG1 4.35Å; F27-V49 HydrophobicContact CZ-CB 4.47Å; F27-V49 HydrophobicContact CZ-CG1 3.55Å; R46-V49 PolarHBondContact O-N 2.83Å; C47-V49 PolarHBondContact O-N 2.84Å; V49-R166 VanDerWaalsContact CG2-NH1 3.35Å
50L43.8Very low46.9Very low9 Ų950.6 Ų50.65%0.04729%0.291CS..  trans-83.2125.8166.3-72.5174.7000110.9V10 V12 F27 Q52 L121V10-L50 HydrophobicContact CG1-CB 4.07Å; V10-L50 HydrophobicContact CG1-CD1 4.27Å; V10-L50 HydrophobicContact CG1-CD2 4.32Å; V10-L50 HydrophobicContact CG1-CG 4.47Å; V12-L50 HydrophobicContact CG2-CD2 3.68Å; F27-L50 WeakPolarHBondContact CE1-O 3.49Å; F27-L50 VanDerWaalsContact CZ-O 3.23Å; F27-L50 WeakPolarHBondContact CZ-O 3.45Å; L50-Q52 PolarHBondContact O-N 3.11Å; L50-Q52 VanDerWaalsContact O-N 3.09Å; L50-L121 HydrophobicContact CD1-CB 3.69Å; L50-L121 HydrophobicContact CD1-CD2 3.6Å; L50-L121 HydrophobicContact CD1-CG 4.18Å
51S48.3Very low45.1Very low0 Ų058.7 Ų58.70%033%0.329CS..EExtended strand (participates in β ladder)trans-76.6102.9-174.4-56.70000110.2F11 F27 I40F11-S51 PolarHBondContact N-O 2.7Å; F27-S51 VanDerWaalsContact CE2-CA 3.45Å; F27-S51 WeakPolarHBondContact CE2-OG 3.47Å; F27-S51 WeakPolarHBondContact CZ-OG 3.48Å; I40-S51 WeakPolarHBondContact CG2-OG 3.22Å
52Q48.3Very low43.3Very low31 Ų3165.1 Ų65.115%0.14536%0.364CS..EExtended strand (participates in β ladder)trans-95.4124.3175.8-66-167.5-0.100110.7V9 V10 S25 I26 L50 L122V9-Q52 WeakPolarHBondContact O-CA 3.18Å; V10-Q52 HydrophobicContact CG2-CG 4.3Å; S25-Q52 VanDerWaalsContact O-O 3.08Å; I26-Q52 WeakPolarHBondContact CA-O 3.33Å; L50-Q52 PolarHBondContact O-N 3.11Å; L50-Q52 VanDerWaalsContact O-N 3.09Å; Q52-L122 VanDerWaalsContact CD-CD2 3.41Å
53F50.2Low41.6Very low0 Ų068.1 Ų68.10%039%0.389CS..EExtended strand (participates in β ladder)trans-93.2106.3165.9-69.9-105000107.8I3 N8 V9 F11 F17 C24 S25 I26 I40 L73I3-F53 HydrophobicContact CD1-CB 3.62Å; I3-F53 HydrophobicContact CD1-CD1 4.3Å; I3-F53 HydrophobicContact CD1-CG 4.11Å; N8-F53 VanDerWaalsContact CA-O 3.32Å; N8-F53 WeakPolarHBondContact CA-O 3.39Å; V9-F53 HydrophobicContact CB-CB 4.4Å; V9-F53 PolarHBondContact N-O 3.46Å; V9-F53 PolarHBondContact O-N 3.14Å; F11-F53 AromaticContact CD2-CD2 3.47Å; F11-F53 HydrophobicContact CD2-CD2 3.47Å; F11-F53 VanDerWaalsContact CD2-CD2 3.47Å; F11-F53 AromaticContact CD2-CE2 3.33Å; F11-F53 HydrophobicContact CD2-CE2 3.33Å; F11-F53 HydrophobicContact CD2-CZ 4.47Å; F11-F53 AromaticContact CE2-CD2 3.34Å; F11-F53 HydrophobicContact CE2-CD2 3.34Å; F11-F53 AromaticContact CE2-CE2 3.3Å; F11-F53 HydrophobicContact CE2-CE2 3.3Å; F11-F53 HydrophobicContact CE2-CG 4.24Å; F11-F53 HydrophobicContact CE2-CZ 4.18Å; F11-F53 HydrophobicContact CG-CE2 4.43Å; F11-F53 HydrophobicContact CZ-CE2 4.38Å; F17-F53 HydrophobicContact CD1-CZ 4.42Å; F17-F53 AromaticContact CD2-CE1 3.97Å; F17-F53 HydrophobicContact CD2-CE1 3.97Å; F17-F53 HydrophobicContact CD2-CZ 4.28Å; F17-F53 HydrophobicContact CE2-CE1 4.21Å; F17-F53 HydrophobicContact CG-CE1 4.28Å; F17-F53 HydrophobicContact CG-CZ 4.14Å; C24-F53 HydrophobicContact CB-CD1 4.2Å; S25-F53 CarbonylContact O-C 3.51Å; S25-F53 VanDerWaalsContact O-CA 3.28Å; S25-F53 WeakPolarHBondContact O-CA 3.15Å; I26-F53 HydrophobicContact CD1-CD1 3.65Å; I26-F53 HydrophobicContact CD1-CE1 3.18Å; I26-F53 HydrophobicContact CD1-CZ 3.79Å; I26-F53 HydrophobicContact CG1-CD1 3.47Å; I26-F53 VanDerWaalsContact CG1-CD1 3.47Å; I26-F53 HydrophobicContact CG1-CE1 3.55Å; I26-F53 HydrophobicContact CG1-CG 4.04Å; I26-F53 HydrophobicContact CG1-CZ 4.15Å; I40-F53 HydrophobicContact CD1-CE2 3.94Å; I40-F53 HydrophobicContact CD1-CZ 3.57Å; F53-L73 HydrophobicContact CD1-CD1 3.48Å; F53-L73 VanDerWaalsContact CD1-CD1 3.48Å; F53-L73 HydrophobicContact CD1-CD2 4.23Å; F53-L73 HydrophobicContact CE1-CD1 3.51Å; F53-L73 HydrophobicContact CE1-CD2 3.82Å; F53-L73 HydrophobicContact CE1-CG 4.35Å; F53-L73 HydrophobicContact CG-CD1 4.19Å; F53-L73 HydrophobicContact CZ-CD1 4.26Å
54G47.4Very low40.1Very low16 Ų1673.4 Ų73.417%0.16542%0.423CS..EExtended strand (participates in β ladder)trans-108.9132.1175.800000111.8N8 S25N8-G54 VanDerWaalsContact OD1-CA 3.24Å; N8-G54 WeakPolarHBondContact OD1-CA 3.36Å; S25-G54 WeakPolarHBondContact CA-O 3.4Å; S25-G54 VanDerWaalsContact CB-O 3.27Å; S25-G54 WeakPolarHBondContact CB-O 3.28Å; S25-G54 PolarHBondContact N-O 2.78Å; S25-G54 PolarHBondContact O-N 2.92Å
55I42.4Very low38.9Very low15 Ų1579 Ų798%0.07745%0.447CS..  trans-109.4115.3-176.7-60175.8000109.3I3 L5 C24 A71I3-I55 HydrophobicContact CB-CD1 3.59Å; I3-I55 HydrophobicContact CG2-CD1 3.34Å; I3-I55 HydrophobicContact CG2-CG1 4.24Å; L5-I55 HydrophobicContact CD1-CG2 4.09Å; C24-I55 HydrophobicContact CB-CG1 4.16Å; I55-A71 HydrophobicContact CD1-CB 3.64Å; I55-A71 HydrophobicContact CG1-CB 4.35Å
56S40.1Very low38.2Very low102 Ų10274.1 Ų74.171%0.71344%0.439SS*.  trans-92.198.1169.557.50000109.3
57G37Very low37.8Very low25 Ų2578 Ų7826%0.25846%0.46SS..  trans-108.4128.8169.700000110.4T59G57-T59 PolarHBondContact O-N 3.47Å
58T34.1Very low38.2Very low144 Ų14479.3 Ų79.388%0.88346%0.46SS*.  trans-72.1107.2165.247.10000108.4S60T58-S60 PolarHBondContact O-N 2.74Å
59T34Very low38.7Very low67 Ų6779 Ų7941%0.41146%0.461SS..  trans-70.4110.517035.70000109L5 G57 Q61L5-T59 HydrophobicContact CD2-CG2 3.84Å; G57-T59 PolarHBondContact O-N 3.47Å; T59-Q61 PolarHBondContact O-N 3.19Å; T59-Q61 VanDerWaalsContact O-N 3.15Å
60S30.7Very low39.5Very low105 Ų10578.9 Ų78.973%0.73446%0.461SS*.  trans-68.5105.815168.60000106.2T58 N62T58-S60 PolarHBondContact O-N 2.74Å; S60-N62 PolarHBondContact O-N 3.4Å
61Q32.9Very low40.7Very low171 Ų17178.4 Ų78.480%0.79946%0.459SS*.SBendtrans-58.8102.2169.1-63.6-178.60.800107.3T59T59-Q61 PolarHBondContact O-N 3.19Å; T59-Q61 VanDerWaalsContact O-N 3.15Å
62N28.9Very low41.9Very low161 Ų16180 Ų8086%0.86147%0.469SS*.  trans16069.8157.1-79.9-18.4000110.6S60S60-N62 PolarHBondContact O-N 3.4Å
63A28.7Very low43.3Very low63 Ų6378.6 Ų78.652%0.52146%0.462SS..  trans-155.4127.7158.400000110.5
64P28.6Very low44.6Very low116 Ų11682.2 Ų82.275%0.75348%0.481SS*.  trans-76.4139.2-177.832-31.9000110.7S66P64-S66 PolarHBondContact O-N 3.02Å
65L28.8Very low46Very low186 Ų18683.3 Ų83.397%0.97448%0.484SS*.SBendtrans35.358.2156-69.8157.2000116.3
66S29.5Very low47.5Very low77 Ų7786.9 Ų86.954%0.53850%0.497SS..  trans-115.9136.2158.155.20000107.4P64 Q68P64-S66 PolarHBondContact O-N 3.02Å; S66-Q68 PolarHBondContact O-N 3.4Å
67F36Very low48.8Very low203 Ų20383.9 Ų83.989%0.8948%0.475SS*.  trans-56.1101.9172.2-87.4-94.1000108.1V69F67-V69 VanDerWaalsContact C-N 3.34Å; F67-V69 PolarHBondContact O-N 3.15Å
68Q46.7Very low50.3Low87 Ų8782.7 Ų82.741%0.40746%0.462SS..  trans-71.895.1177.6-70.2-174-7.900107.7L5 S66 G70L5-Q68 HydrophobicContact CB-CB 3.96Å; L5-Q68 WeakPolarHBondContact CB-O 3.26Å; L5-Q68 HydrophobicContact CD2-CB 4.27Å; L5-Q68 PolarHBondContact N-O 2.94Å; S66-Q68 PolarHBondContact O-N 3.4Å; Q68-G70 PolarHBondContact O-N 3.49Å
69V50.3Low51.7Low70 Ų7078.4 Ų78.442%0.42443%0.433SS..EExtended strand (participates in β ladder)trans-70.5115.9174.2175.90000107.7V2 F67 V72V2-V69 HydrophobicContact CG1-CG1 3.82Å; V2-V69 HydrophobicContact CG1-CG2 4.07Å; F67-V69 VanDerWaalsContact C-N 3.34Å; F67-V69 PolarHBondContact O-N 3.15Å; V69-V72 HydrophobicContact CG1-CG2 3.66Å
70G62.2Low52.9Low8 Ų876 Ų768%0.08242%0.42CS..EExtended strand (participates in β ladder)trans-81.2-48.917900000112I3 G22 Q68I3-G70 WeakPolarHBondContact O-CA 3.36Å; I3-G70 PolarHBondContact O-N 3.29Å; G22-G70 WeakPolarHBondContact CA-O 3.22Å; Q68-G70 PolarHBondContact O-N 3.49Å
71A68.7Low54.3Low0 Ų076.7 Ų76.70%042%0.421CS..EExtended strand (participates in β ladder)trans-151148176.400000111.6I3 L21 C24 I55I3-A71 PolarHBondContact N-O 3.02Å; I3-A71 PolarHBondContact O-N 3.03Å; I3-A71 VanDerWaalsContact O-N 3.11Å; L21-A71 CarbonylContact O-C 3.51Å; L21-A71 VanDerWaalsContact O-CA 3.22Å; L21-A71 WeakPolarHBondContact O-CA 3.41Å; C24-A71 HydrophobicContact CB-CB 4.24Å; I55-A71 HydrophobicContact CD1-CB 3.64Å; I55-A71 HydrophobicContact CG1-CB 4.35Å
72V74.5Confident55.6Low34 Ų3472 Ų7221%0.20640%0.398CS..EExtended strand (participates in β ladder)trans-114.1122.1171.9-1760000108.1V2 L20 L21 V69V2-V72 HydrophobicContact CG2-CG2 4.49Å; L20-V72 HydrophobicContact CB-CB 4.33Å; L20-V72 HydrophobicContact CB-CG1 4.24Å; L20-V72 HydrophobicContact CD1-CG1 4.18Å; L20-V72 PolarHBondContact N-O 3.02Å; L21-V72 HydrophobicContact CB-CB 3.94Å; L21-V72 HydrophobicContact CB-CG2 3.95Å; L21-V72 HydrophobicContact CD2-CG2 4.19Å; L21-V72 PolarHBondContact N-O 3.32Å; L21-V72 PolarHBondContact O-N 2.97Å; V69-V72 HydrophobicContact CG1-CG2 3.66Å
73L76.7Confident57.1Low1 Ų165 Ų651%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-112.2127.7179.2-64.8161.2000109.6M1 I3 F17 R18 V19 F53 V75M1-L73 HydrophobicContact CB-CB 4.39Å; M1-L73 PolarHBondContact N-O 3.46Å; M1-L73 PolarHBondContact O-N 2.7Å; I3-L73 HydrophobicContact CD1-CD1 3.34Å; I3-L73 HydrophobicContact CD1-CG 4.46Å; I3-L73 HydrophobicContact CG1-CD1 3.99Å; F17-L73 HydrophobicContact CD2-CD2 3.84Å; R18-L73 CarbonylContact O-C 3.59Å; R18-L73 WeakPolarHBondContact O-CA 3.49Å; V19-L73 HydrophobicContact CB-CD2 4.36Å; V19-L73 HydrophobicContact CG2-CD2 3.71Å; F53-L73 HydrophobicContact CD1-CD1 3.48Å; F53-L73 VanDerWaalsContact CD1-CD1 3.48Å; F53-L73 HydrophobicContact CD1-CD2 4.23Å; F53-L73 HydrophobicContact CE1-CD1 3.51Å; F53-L73 HydrophobicContact CE1-CD2 3.82Å; F53-L73 HydrophobicContact CE1-CG 4.35Å; F53-L73 HydrophobicContact CG-CD1 4.19Å; F53-L73 HydrophobicContact CZ-CD1 4.26Å; L73-V75 HydrophobicContact CB-CG2 3.91Å
74L77.9Confident58.3Low75 Ų7563.8 Ų63.839%0.39335%0.348SS..EExtended strand (participates in β ladder)trans-74127.4155.2-175.364.7000107.1F17 R18 L20F17-L74 CarbonylContact C-O 3.48Å; F17-L74 WeakPolarHBondContact CA-O 3.48Å; R18-L74 HydrophobicContact CB-CB 4.22Å; R18-L74 PolarHBondContact N-O 3.45Å; R18-L74 PolarHBondContact O-N 3.06Å; L20-L74 HydrophobicContact CD1-CB 4.04Å; L20-L74 HydrophobicContact CD2-CB 4.24Å; L20-L74 HydrophobicContact CG-CB 4.08Å
75V76.2Confident59.7Low39 Ų3959.1 Ų59.124%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-129124.1179.5177.10000107.8M1 L15 Q16 F17 L73M1-V75 HydrophobicContact CB-CG2 4.1Å; L15-V75 HydrophobicContact CB-CG1 4.06Å; L15-V75 HydrophobicContact CD1-CG1 4.13Å; L15-V75 HydrophobicContact CD2-CG1 3.95Å; L15-V75 HydrophobicContact CG-CG1 4.28Å; Q16-V75 CarbonylContact O-C 3.48Å; Q16-V75 WeakPolarHBondContact O-CA 3.28Å; F17-V75 HydrophobicContact CB-CG2 4.37Å; L73-V75 HydrophobicContact CB-CG2 3.91Å
76R74.2Confident60.8Low91 Ų9159.5 Ų59.534%0.34331%0.313SS..EExtended strand (participates in β ladder)trans-113.4120.2175.3-168.4174.878.5115.911.6108.6L15 Q16 E82L15-R76 CarbonylContact C-O 3.47Å; L15-R76 WeakPolarHBondContact CA-O 3.32Å; Q16-R76 HydrophobicContact CB-CB 4.25Å; Q16-R76 PolarHBondContact N-O 2.82Å; Q16-R76 PolarHBondContact O-N 3.16Å; R76-E82 IonicContact CZ-OE1 3.6Å; R76-E82 IonicContact CZ-OE2 2.7Å; R76-E82 IonicContact NH1-OE1 3.82Å; R76-E82 PolarHBondContact NH1-OE1 2.82Å; R76-E82 IonicContact NH1-OE2 2.89Å; R76-E82 IonicContact NH2-OE1 2.87Å; R76-E82 PolarHBondContact NH2-OE1 2.85Å; R76-E82 IonicContact NH2-OE2 3.35Å; R76-E82 PolarHBondContact NH2-OE2 2.7Å
77P69.1Low61.9Low38 Ų3864.4 Ų64.425%0.24732%0.319CS..EExtended strand (participates in β ladder)trans-60.5145.117325.5-32.6000110P106 I107P77-P106 HydrophobicContact CG-CB 4.04Å; P77-I107 WeakPolarHBondContact CB-O 3.32Å
78A66.7Low62.7Low0 Ų057.3 Ų57.30%030%0.295CS..PPolyproline II helixtrans-65.4138.9169.200000110.2S14 W39 L83 I107S14-A78 WeakPolarHBondContact O-CB 3.39Å; S14-A78 PolarHBondContact O-N 2.88Å; S14-A78 VanDerWaalsContact O-N 3.12Å; W39-A78 HydrophobicContact CH2-CB 4.12Å; W39-A78 HydrophobicContact CZ3-CB 3.76Å; A78-L83 HydrophobicContact CB-CD2 3.53Å; A78-L83 HydrophobicContact CB-CG 4.12Å; A78-I107 PolarHBondContact O-N 3.13Å
79I64Low63.1Low54 Ų5459.5 Ų59.528%0.27731%0.305SS..BIsolated β-bridgetrans-90.6142.8167.7-56.6170.7000107.5T81 E82 L83I79-T81 WeakPolarHBondContact CG2-OG1 3.24Å; I79-T81 PolarHBondContact O-N 3.28Å; I79-E82 HydrophobicContact CB-CG 4.17Å; I79-E82 WeakPolarHBondContact O-CA 3.18Å; I79-E82 WeakPolarHBondContact O-CB 3.02Å; I79-E82 PolarHBondContact O-N 3.43Å; I79-L83 PolarHBondContact O-N 2.78Å
80A59.6Low63.4Low16 Ų1657.8 Ų57.813%0.13229%0.293CS..G310 helixtrans-49-37.1-177.800000113.9E82 L83 L101 I107A80-E82 VanDerWaalsContact C-N 3.31Å; A80-E82 PolarHBondContact O-N 3.24Å; A80-L83 WeakPolarHBondContact O-CB 3.34Å; A80-L83 PolarHBondContact O-N 3.3Å; A80-L101 HydrophobicContact CB-CB 4.39Å; A80-L101 HydrophobicContact CB-CD2 3.61Å; A80-I107 HydrophobicContact CB-CD1 4.42Å
81T60.4Low63Low121 Ų12157.4 Ų57.474%0.74229%0.29SS*.G310 helixtrans-72.5-20.9178.251.70000114.2I79 L83I79-T81 WeakPolarHBondContact CG2-OG1 3.24Å; I79-T81 PolarHBondContact O-N 3.28Å; T81-L83 VanDerWaalsContact C-N 3.34Å
82E59.8Low62.5Low71 Ų7162.4 Ų62.433%0.33231%0.313SS..G310 helixtrans-88.4-8.7175.3-59.8179.6161.400111.7W39 R76 I79 A80W39-E82 HydrophobicContact CH2-CB 4.45Å; R76-E82 IonicContact CZ-OE1 3.6Å; R76-E82 IonicContact CZ-OE2 2.7Å; R76-E82 IonicContact NH1-OE1 3.82Å; R76-E82 PolarHBondContact NH1-OE1 2.82Å; R76-E82 IonicContact NH1-OE2 2.89Å; R76-E82 IonicContact NH2-OE1 2.87Å; R76-E82 PolarHBondContact NH2-OE1 2.85Å; R76-E82 IonicContact NH2-OE2 3.35Å; R76-E82 PolarHBondContact NH2-OE2 2.7Å; I79-E82 HydrophobicContact CB-CG 4.17Å; I79-E82 WeakPolarHBondContact O-CA 3.18Å; I79-E82 WeakPolarHBondContact O-CB 3.02Å; I79-E82 PolarHBondContact O-N 3.43Å; A80-E82 VanDerWaalsContact C-N 3.31Å; A80-E82 PolarHBondContact O-N 3.24Å
83L60.4Low61.6Low14 Ų1462.9 Ų62.97%0.07331%0.314CS..SBendtrans-81.5134.6179.5-66.8175.9000110.6A78 I79 A80 T81 F85 Y95 I107A78-L83 HydrophobicContact CB-CD2 3.53Å; A78-L83 HydrophobicContact CB-CG 4.12Å; I79-L83 PolarHBondContact O-N 2.78Å; A80-L83 WeakPolarHBondContact O-CB 3.34Å; A80-L83 PolarHBondContact O-N 3.3Å; T81-L83 VanDerWaalsContact C-N 3.34Å; L83-F85 HydrophobicContact CB-CD2 3.8Å; L83-F85 HydrophobicContact CB-CE2 4.36Å; L83-F85 HydrophobicContact CD1-CD2 4.3Å; L83-F85 HydrophobicContact CD2-CD2 4.3Å; L83-F85 HydrophobicContact CD2-CE2 4.07Å; L83-F85 HydrophobicContact CG-CD2 4.38Å; L83-F85 PolarHBondContact O-N 2.88Å; L83-Y95 HydrophobicContact CD1-CD2 4.42Å; L83-Y95 HydrophobicContact CD1-CE2 3.41Å; L83-Y95 VanDerWaalsContact CD1-CE2 3.41Å; L83-Y95 VanDerWaalsContact CD1-OH 3.28Å; L83-Y95 WeakPolarHBondContact CD1-OH 3.42Å; L83-Y95 WeakPolarHBondContact CD2-OH 3.43Å; L83-I107 HydrophobicContact CD1-CD1 3.85Å
84P53.2Low60.5Low39 Ų3963.1 Ų63.125%0.25332%0.315SS..  trans-74.215.9-179.829.6-34.1000114.1F208P84-F208 HydrophobicContact CB-CB 3.29Å; P84-F208 HydrophobicContact CB-CD1 4.49Å; P84-F208 HydrophobicContact CB-CD2 4.11Å; P84-F208 HydrophobicContact CB-CG 3.74Å; P84-F208 HydrophobicContact CG-CB 4.16Å
85F59.3Low59.6Low17 Ų1761.1 Ų61.18%0.07530%0.303CS..  trans-105.3107.1-168.1-50.5-55.2000110.8L83 I90 V91 F94L83-F85 HydrophobicContact CB-CD2 3.8Å; L83-F85 HydrophobicContact CB-CE2 4.36Å; L83-F85 HydrophobicContact CD1-CD2 4.3Å; L83-F85 HydrophobicContact CD2-CD2 4.3Å; L83-F85 HydrophobicContact CD2-CE2 4.07Å; L83-F85 HydrophobicContact CG-CD2 4.38Å; L83-F85 PolarHBondContact O-N 2.88Å; F85-I90 HydrophobicContact CB-CB 4.34Å; F85-I90 HydrophobicContact CB-CG2 4.22Å; F85-I90 HydrophobicContact CD1-CB 4.21Å; F85-I90 HydrophobicContact CD1-CD1 4.22Å; F85-I90 HydrophobicContact CD1-CG2 3.36Å; F85-I90 HydrophobicContact CD2-CG2 4.15Å; F85-I90 HydrophobicContact CE1-CG2 3.63Å; F85-I90 HydrophobicContact CE2-CG2 4.4Å; F85-I90 HydrophobicContact CG-CB 4.31Å; F85-I90 HydrophobicContact CG-CG2 3.65Å; F85-I90 HydrophobicContact CZ-CG2 4.16Å; F85-V91 HydrophobicContact CB-CG2 4.23Å; F85-F94 HydrophobicContact CE1-CE2 4.06Å; F85-F94 AromaticContact CE2-CD2 3.93Å; F85-F94 HydrophobicContact CE2-CD2 3.93Å; F85-F94 AromaticContact CE2-CE2 3.87Å; F85-F94 HydrophobicContact CE2-CE2 3.87Å; F85-F94 HydrophobicContact CE2-CZ 4.48Å; F85-F94 HydrophobicContact CZ-CD2 4.04Å; F85-F94 AromaticContact CZ-CE2 3.48Å; F85-F94 HydrophobicContact CZ-CE2 3.48Å; F85-F94 VanDerWaalsContact CZ-CE2 3.48Å; F85-F94 AromaticContact CZ-CZ 3.93Å; F85-F94 HydrophobicContact CZ-CZ 3.93Å
86E51Low58.4Low194 Ų19462.2 Ų62.291%0.90732%0.322SS*.  trans-82.6-15.6173.7-68.9-176.2166.600113.3
87R53.9Low57.5Low180 Ų18060 Ų6068%0.67932%0.32SS*.SBendtrans-108.3132.4-172.4-65.6-171.3179.8-177.10112.7E89 I90R87-E89 VanDerWaalsContact C-N 3.28Å; R87-E89 PolarHBondContact O-N 3.28Å; R87-I90 PolarHBondContact O-N 2.79Å
88S52.6Low56.7Low55 Ų5561.6 Ų61.639%0.38533%0.325SS..Hα-helixtrans-55.7-37.2-179.3530000113.6I90 V91 E92S88-I90 VanDerWaalsContact C-N 3.3Å; S88-I90 PolarHBondContact O-N 3.05Å; S88-V91 WeakPolarHBondContact O-CB 3.05Å; S88-V91 PolarHBondContact O-N 2.82Å; S88-V91 VanDerWaalsContact O-N 3.09Å; S88-E92 PolarHBondContact O-N 3.04Å; S88-E92 VanDerWaalsContact O-N 3.14Å
89E54.3Low56.1Low132 Ų13270 Ų7062%0.61736%0.361SS*.Hα-helixtrans-58.5-41.2-179.9-63.9165174.500111.8R87 V91 E92 L93R87-E89 VanDerWaalsContact C-N 3.28Å; R87-E89 PolarHBondContact O-N 3.28Å; E89-V91 VanDerWaalsContact C-N 3.3Å; E89-V91 PolarHBondContact O-N 3.36Å; E89-E92 PolarHBondContact O-N 3.2Å; E89-L93 VanDerWaalsContact O-CG 3.24Å; E89-L93 WeakPolarHBondContact O-CG 2.9Å; E89-L93 PolarHBondContact O-N 2.82Å
90I56Low55.6Low34 Ų3469.4 Ų69.417%0.17436%0.36CS..Hα-helixtrans-70-32.9180-58.3175000111F85 R87 S88 L93 F94F85-I90 HydrophobicContact CB-CB 4.34Å; F85-I90 HydrophobicContact CB-CG2 4.22Å; F85-I90 HydrophobicContact CD1-CB 4.21Å; F85-I90 HydrophobicContact CD1-CD1 4.22Å; F85-I90 HydrophobicContact CD1-CG2 3.36Å; F85-I90 HydrophobicContact CD2-CG2 4.15Å; F85-I90 HydrophobicContact CE1-CG2 3.63Å; F85-I90 HydrophobicContact CE2-CG2 4.4Å; F85-I90 HydrophobicContact CG-CB 4.31Å; F85-I90 HydrophobicContact CG-CG2 3.65Å; F85-I90 HydrophobicContact CZ-CG2 4.16Å; R87-I90 PolarHBondContact O-N 2.79Å; S88-I90 VanDerWaalsContact C-N 3.3Å; S88-I90 PolarHBondContact O-N 3.05Å; I90-L93 WeakPolarHBondContact O-CB 3.39Å; I90-L93 PolarHBondContact O-N 2.9Å; I90-F94 HydrophobicContact CG2-CD2 3.82Å; I90-F94 HydrophobicContact CG2-CE2 3.67Å; I90-F94 VanDerWaalsContact O-CD2 3.25Å; I90-F94 WeakPolarHBondContact O-CD2 3.38Å; I90-F94 PolarHBondContact O-N 2.84Å
91V54.3Low55.2Low1 Ų170.9 Ų70.91%0.00637%0.365CS..Hα-helixtrans-70.1-39.9-178.6170.90000110.2F85 S88 E89 L93 F94 Y95 L101F85-V91 HydrophobicContact CB-CG2 4.23Å; S88-V91 WeakPolarHBondContact O-CB 3.05Å; S88-V91 PolarHBondContact O-N 2.82Å; S88-V91 VanDerWaalsContact O-N 3.09Å; E89-V91 VanDerWaalsContact C-N 3.3Å; E89-V91 PolarHBondContact O-N 3.36Å; V91-L93 PolarHBondContact O-N 2.8Å; V91-F94 PolarHBondContact O-N 3.42Å; V91-Y95 HydrophobicContact CB-CD2 4.44Å; V91-Y95 HydrophobicContact CG1-CD2 3.84Å; V91-Y95 WeakPolarHBondContact O-CA 3.01Å; V91-Y95 WeakPolarHBondContact O-CB 3.11Å; V91-Y95 WeakPolarHBondContact O-CD2 3.41Å; V91-Y95 PolarHBondContact O-N 2.85Å; V91-L101 HydrophobicContact CB-CD1 3.81Å; V91-L101 HydrophobicContact CB-CD2 4.43Å; V91-L101 HydrophobicContact CB-CG 4.28Å; V91-L101 HydrophobicContact CG1-CD1 3.56Å; V91-L101 HydrophobicContact CG1-CD2 3.74Å; V91-L101 HydrophobicContact CG1-CG 3.51Å; V91-L101 HydrophobicContact CG2-CD1 3.41Å; V91-L101 VanDerWaalsContact CG2-CD1 3.41Å; V91-L101 HydrophobicContact CG2-CD2 3.87Å; V91-L101 HydrophobicContact CG2-CG 4.05Å
92E59.2Low54.8Low104 Ų10472.3 Ų72.349%0.48636%0.361SS..Hα-helixtrans-60.6-37.4172.9-69.3-170.5160.400111.8S88 E89 F94 G96S88-E92 PolarHBondContact O-N 3.04Å; S88-E92 VanDerWaalsContact O-N 3.14Å; E89-E92 PolarHBondContact O-N 3.2Å; E92-F94 VanDerWaalsContact C-N 3.25Å; E92-F94 PolarHBondContact O-N 2.91Å; E92-G96 WeakPolarHBondContact O-CA 3.08Å; E92-G96 PolarHBondContact O-N 3.27Å
93L55.5Low54.7Low45 Ų4575 Ų7524%0.23638%0.377CS..Hα-helixtrans-64.8-23.5177.4-63.8171.7000114C43 S44 Y45 E89 I90 V91C43-L93 PolarHBondContact SG-O 2.87Å; S44-L93 PolarHBondContact N-O 3.19Å; S44-L93 PolarHBondContact OG-O 2.89Å; Y45-L93 HydrophobicContact CD1-CD2 3.78Å; Y45-L93 HydrophobicContact CD2-CD2 3.35Å; Y45-L93 HydrophobicContact CE1-CD2 4.43Å; Y45-L93 HydrophobicContact CE2-CD2 4.06Å; Y45-L93 HydrophobicContact CG-CD2 3.18Å; E89-L93 VanDerWaalsContact O-CG 3.24Å; E89-L93 WeakPolarHBondContact O-CG 2.9Å; E89-L93 PolarHBondContact O-N 2.82Å; I90-L93 WeakPolarHBondContact O-CB 3.39Å; I90-L93 PolarHBondContact O-N 2.9Å; V91-L93 PolarHBondContact O-N 2.8Å
94F54.1Low54.2Low6 Ų676.4 Ų76.43%0.02640%0.396CS..Hα-helixtrans-105.5-28.7178-76.1-81.9000113.3H41 A42 C43 F85 I90 V91 E92 P202 F204H41-F94 HydrophobicContact CB-CE1 3.96Å; H41-F94 HydrophobicContact CB-CZ 4.36Å; A42-F94 WeakPolarHBondContact O-CD1 3.28Å; C43-F94 HydrophobicContact CB-CD1 3.88Å; C43-F94 HydrophobicContact CB-CE1 3.5Å; C43-F94 HydrophobicContact CB-CE2 4.4Å; C43-F94 HydrophobicContact CB-CG 4.47Å; C43-F94 HydrophobicContact CB-CZ 3.79Å; F85-F94 HydrophobicContact CE1-CE2 4.06Å; F85-F94 AromaticContact CE2-CD2 3.93Å; F85-F94 HydrophobicContact CE2-CD2 3.93Å; F85-F94 AromaticContact CE2-CE2 3.87Å; F85-F94 HydrophobicContact CE2-CE2 3.87Å; F85-F94 HydrophobicContact CE2-CZ 4.48Å; F85-F94 HydrophobicContact CZ-CD2 4.04Å; F85-F94 AromaticContact CZ-CE2 3.48Å; F85-F94 HydrophobicContact CZ-CE2 3.48Å; F85-F94 VanDerWaalsContact CZ-CE2 3.48Å; F85-F94 AromaticContact CZ-CZ 3.93Å; F85-F94 HydrophobicContact CZ-CZ 3.93Å; I90-F94 HydrophobicContact CG2-CD2 3.82Å; I90-F94 HydrophobicContact CG2-CE2 3.67Å; I90-F94 VanDerWaalsContact O-CD2 3.25Å; I90-F94 WeakPolarHBondContact O-CD2 3.38Å; I90-F94 PolarHBondContact O-N 2.84Å; V91-F94 PolarHBondContact O-N 3.42Å; E92-F94 VanDerWaalsContact C-N 3.25Å; E92-F94 PolarHBondContact O-N 2.91Å; F94-P202 HydrophobicContact CE1-CG 4.39Å; F94-P202 HydrophobicContact CZ-CG 3.91Å; F94-F204 HydrophobicContact CE2-CD2 4.21Å; F94-F204 AromaticContact CE2-CE2 3.65Å; F94-F204 HydrophobicContact CE2-CE2 3.65Å; F94-F204 HydrophobicContact CZ-CD2 4.27Å; F94-F204 AromaticContact CZ-CE2 3.6Å; F94-F204 HydrophobicContact CZ-CE2 3.6Å
95Y57.8Low54Low33 Ų3377 Ų7713%0.12940%0.401CS..Hα-helixtrans-135-0.8-163-49.6-64.9000114.2S14 L83 V91 S97 I107S14-Y95 WeakPolarHBondContact CB-OH 3.29Å; S14-Y95 PolarHBondContact N-OH 2.9Å; S14-Y95 PolarHBondContact OG-OH 2.84Å; L83-Y95 HydrophobicContact CD1-CD2 4.42Å; L83-Y95 HydrophobicContact CD1-CE2 3.41Å; L83-Y95 VanDerWaalsContact CD1-CE2 3.41Å; L83-Y95 VanDerWaalsContact CD1-OH 3.28Å; L83-Y95 WeakPolarHBondContact CD1-OH 3.42Å; L83-Y95 WeakPolarHBondContact CD2-OH 3.43Å; V91-Y95 HydrophobicContact CB-CD2 4.44Å; V91-Y95 HydrophobicContact CG1-CD2 3.84Å; V91-Y95 WeakPolarHBondContact O-CA 3.01Å; V91-Y95 WeakPolarHBondContact O-CB 3.11Å; V91-Y95 WeakPolarHBondContact O-CD2 3.41Å; V91-Y95 PolarHBondContact O-N 2.85Å; Y95-S97 PolarHBondContact O-N 2.82Å; Y95-I107 HydrophobicContact CD1-CB 4.18Å; Y95-I107 HydrophobicContact CD1-CD1 4.22Å; Y95-I107 HydrophobicContact CD1-CG2 3.17Å; Y95-I107 HydrophobicContact CD2-CD1 4.01Å; Y95-I107 HydrophobicContact CE1-CB 4.15Å; Y95-I107 HydrophobicContact CE1-CD1 4.21Å; Y95-I107 HydrophobicContact CE1-CG2 3.6Å; Y95-I107 HydrophobicContact CE2-CD1 4.05Å; Y95-I107 HydrophobicContact CG-CD1 4.07Å; Y95-I107 HydrophobicContact CG-CG2 3.75Å
96G51.5Low53.5Low62 Ų6280 Ų8064%0.63942%0.422SS*.SBendtrans69.7-10.1171.700000116.6E92E92-G96 WeakPolarHBondContact O-CA 3.08Å; E92-G96 PolarHBondContact O-N 3.27Å
97S55.7Low53.6Low45 Ų4571.2 Ų71.232%0.31538%0.381SS..  trans-158.9142.2170.875.10000114.2Y95 K99Y95-S97 PolarHBondContact O-N 2.82Å; S97-K99 PolarHBondContact O-N 2.86Å
98E52.4Low53.6Low71 Ų7168.1 Ų68.133%0.33238%0.382SS..G310 helixtrans-65.4-24.7176.1-162-165.4131.500113V100 L101 K102E98-V100 PolarHBondContact O-N 3.49Å; E98-L101 HydrophobicContact CG-CD1 4.42Å; E98-L101 PolarHBondContact O-N 2.86Å; E98-K102 WeakPolarHBondContact OE1-CE 3.46Å; E98-K102 IonicContact OE1-NZ 2.79Å; E98-K102 PolarHBondContact OE1-NZ 3.32Å
99K53Low53.7Low176 Ų17666.3 Ų66.377%0.76537%0.369SS*.G310 helixtrans-57.7-26-177.1-73.4-173.5179.21790113.1S97 L101S97-K99 PolarHBondContact O-N 2.86Å; K99-L101 VanDerWaalsContact C-N 3.34Å
100V53.1Low53.6Low41 Ų4164.4 Ų64.425%0.24837%0.367CS..G310 helixtrans-70.9-28.9-179.2-166.80000112E98 I107E98-V100 PolarHBondContact O-N 3.49Å; V100-I107 HydrophobicContact CG1-CB 4.13Å; V100-I107 HydrophobicContact CG1-CD1 4.02Å; V100-I107 HydrophobicContact CG1-CG1 3.64Å; V100-I107 HydrophobicContact CG1-CG2 3.92Å
101L52.2Low53.4Low47 Ų4765.1 Ų65.125%0.24638%0.378CS..THydrogen-bonded Turntrans-72.9-34.2-178.9-62.4175.5000113.5A80 V91 E98 K99 N103 I107A80-L101 HydrophobicContact CB-CB 4.39Å; A80-L101 HydrophobicContact CB-CD2 3.61Å; V91-L101 HydrophobicContact CB-CD1 3.81Å; V91-L101 HydrophobicContact CB-CD2 4.43Å; V91-L101 HydrophobicContact CB-CG 4.28Å; V91-L101 HydrophobicContact CG1-CD1 3.56Å; V91-L101 HydrophobicContact CG1-CD2 3.74Å; V91-L101 HydrophobicContact CG1-CG 3.51Å; V91-L101 HydrophobicContact CG2-CD1 3.41Å; V91-L101 VanDerWaalsContact CG2-CD1 3.41Å; V91-L101 HydrophobicContact CG2-CD2 3.87Å; V91-L101 HydrophobicContact CG2-CG 4.05Å; E98-L101 HydrophobicContact CG-CD1 4.42Å; E98-L101 PolarHBondContact O-N 2.86Å; K99-L101 VanDerWaalsContact C-N 3.34Å; L101-N103 PolarHBondContact O-N 3.45Å; L101-I107 HydrophobicContact CD2-CD1 4.26Å
102K52.6Low53.3Low151 Ų15168.8 Ų68.866%0.65740%0.4SS*.THydrogen-bonded Turntrans-71.4-17.6-167.8-68.7-175.7-179.81670113.7E98E98-K102 WeakPolarHBondContact OE1-CE 3.46Å; E98-K102 IonicContact OE1-NZ 2.79Å; E98-K102 PolarHBondContact OE1-NZ 3.32Å
103N55.8Low52.9Low127 Ų12767.9 Ų67.968%0.67940%0.397SS*.THydrogen-bonded Turntrans-107.23.4-170.8-68.8-2.7000114.2L101 S105L101-N103 PolarHBondContact O-N 3.45Å; N103-S105 PolarHBondContact O-N 2.66Å
104G51.1Low52.5Low44 Ų4467.3 Ų67.345%0.45440%0.396SS..  trans60.39.6-175.200000113.9
105S48.8Very low51.7Low53 Ų5377.5 Ų77.537%0.37144%0.441SS..  trans-69.1140.9-177.8-59.20000110N103 I107N103-S105 PolarHBondContact O-N 2.66Å; S105-I107 PolarHBondContact O-N 3.43Å
106P49Very low50.7Low78 Ų7880 Ų8051%0.50646%0.463SS..BIsolated β-bridgetrans-58127.1173.422.6-31.1000109.5P77 V108P77-P106 HydrophobicContact CG-CB 4.04Å; P106-V108 PolarHBondContact O-N 3.05Å; P106-V108 VanDerWaalsContact O-N 3.13Å
107I53Low50Low10 Ų1082.5 Ų82.55%0.05146%0.461CS..  trans-81.598.6177.9-43.6-168.6000107.2P77 A78 A80 L83 Y95 V100 L101 S105 P109P77-I107 WeakPolarHBondContact CB-O 3.32Å; A78-I107 PolarHBondContact O-N 3.13Å; A80-I107 HydrophobicContact CB-CD1 4.42Å; L83-I107 HydrophobicContact CD1-CD1 3.85Å; Y95-I107 HydrophobicContact CD1-CB 4.18Å; Y95-I107 HydrophobicContact CD1-CD1 4.22Å; Y95-I107 HydrophobicContact CD1-CG2 3.17Å; Y95-I107 HydrophobicContact CD2-CD1 4.01Å; Y95-I107 HydrophobicContact CE1-CB 4.15Å; Y95-I107 HydrophobicContact CE1-CD1 4.21Å; Y95-I107 HydrophobicContact CE1-CG2 3.6Å; Y95-I107 HydrophobicContact CE2-CD1 4.05Å; Y95-I107 HydrophobicContact CG-CD1 4.07Å; Y95-I107 HydrophobicContact CG-CG2 3.75Å; V100-I107 HydrophobicContact CG1-CB 4.13Å; V100-I107 HydrophobicContact CG1-CD1 4.02Å; V100-I107 HydrophobicContact CG1-CG1 3.64Å; V100-I107 HydrophobicContact CG1-CG2 3.92Å; L101-I107 HydrophobicContact CD2-CD1 4.26Å; S105-I107 PolarHBondContact O-N 3.43Å; I107-P109 WeakPolarHBondContact O-CD 3.12Å; I107-P109 VanDerWaalsContact O-N 3.16Å
108V53.3Low49.1Very low115 Ų11582 Ų8270%0.69746%0.458SS*.  trans-68.3112.9-177.3-175.40000108.4P106 T110P106-V108 PolarHBondContact O-N 3.05Å; P106-V108 VanDerWaalsContact O-N 3.13Å; V108-T110 PolarHBondContact O-N 3.06Å
109P54.5Low48.1Very low17 Ų1784.9 Ų84.911%0.1147%0.471CS..  trans-63.5135.5175.726.5-33.4000108.9V12 L15 I107 A111V12-P109 WeakPolarHBondContact O-CA 3.46Å; V12-P109 WeakPolarHBondContact O-CB 3.48Å; L15-P109 HydrophobicContact CB-CG 4.33Å; L15-P109 HydrophobicContact CD2-CB 4.23Å; L15-P109 HydrophobicContact CD2-CG 4.08Å; I107-P109 WeakPolarHBondContact O-CD 3.12Å; I107-P109 VanDerWaalsContact O-N 3.16Å; P109-A111 PolarHBondContact O-N 3.15Å
110T53.2Low47.2Very low93 Ų9383.5 Ų83.557%0.57147%0.472SS*.EExtended strand (participates in β ladder)trans-73.999.8174-49.10000107.8V12 V108 V112V12-T110 PolarHBondContact N-O 3.26Å; V12-T110 PolarHBondContact O-N 3.35Å; V108-T110 PolarHBondContact O-N 3.06Å; T110-V112 HydrophobicContact CG2-CG2 3.75Å
111A52.5Low46.4Very low49 Ų4984.8 Ų84.841%0.40548%0.477SS..EExtended strand (participates in β ladder)trans-85110.7169.600000108.2M1 F11 P109M1-A111 HydrophobicContact CE-CB 4.46Å; F11-A111 HydrophobicContact CD1-CB 3.72Å; F11-A111 HydrophobicContact CE1-CB 3.51Å; F11-A111 HydrophobicContact CZ-CB 4.34Å; P109-A111 PolarHBondContact O-N 3.15Å
112V50.6Low45.7Very low77 Ų7784.4 Ų84.447%0.46748%0.475SS..EExtended strand (participates in β ladder)trans-106.4122.3174.8-173.60000107.8V10 T110 P114V10-V112 PolarHBondContact N-O 3.03Å; V10-V112 PolarHBondContact O-N 3.26Å; T110-V112 HydrophobicContact CG2-CG2 3.75Å; V112-P114 VanDerWaalsContact O-CD 3.25Å; V112-P114 WeakPolarHBondContact O-CD 2.9Å
113I50.3Low45.1Very low86 Ų8679.6 Ų79.644%0.44146%0.455SS..  trans-80.3108.6159.8-59175.5000104.9K115I113-K115 PolarHBondContact O-N 3.34Å
114P47.7Very low44.3Very low33 Ų3379.6 Ų79.621%0.21445%0.445CS..  trans-60.4124.3-177.225.8-33.2000109.2N8 V10 V112 S116 C118N8-P114 WeakPolarHBondContact O-CD 3.42Å; V10-P114 HydrophobicContact CG2-CG 4.39Å; V112-P114 VanDerWaalsContact O-CD 3.25Å; V112-P114 WeakPolarHBondContact O-CD 2.9Å; P114-S116 WeakPolarHBondContact CB-O 3.43Å; P114-S116 PolarHBondContact O-N 2.91Å; P114-C118 HydrophobicContact CB-CB 4.27Å; P114-C118 VanDerWaalsContact CB-SG 3.51Å
115K37.1Very low43.9Very low220 Ų22079 Ų7996%0.95743%0.434SS*.SBendtrans-73.2-13.8-179.5-73.4-175.3177.4179.70112.7I113I113-K115 PolarHBondContact O-N 3.34Å
116S37.3Very low43.5Very low85 Ų8579.1 Ų79.159%0.59443%0.434SS*.SBendtrans-143.7164.8179.550.50000108.7P114 C118P114-S116 WeakPolarHBondContact CB-O 3.43Å; P114-S116 PolarHBondContact O-N 2.91Å; S116-C118 VanDerWaalsContact C-N 3.35Å; S116-C118 PolarHBondContact O-N 3.04Å
117N36.9Very low43.2Very low114 Ų11484 Ų8461%0.6145%0.452SS*.  trans-55101168.4-80-21.4000108E119N117-E119 HydrophobicContact CB-CG 3.94Å; N117-E119 PolarHBondContact O-N 3.31Å
118C36.2Very low42.8Very low36 Ų3688.9 Ų88.924%0.24348%0.478CS..  trans-71.372.1171.4-77.70000108.6P114 S116 D120 L121 L122P114-C118 HydrophobicContact CB-CB 4.27Å; P114-C118 VanDerWaalsContact CB-SG 3.51Å; S116-C118 VanDerWaalsContact C-N 3.35Å; S116-C118 PolarHBondContact O-N 3.04Å; C118-D120 PolarHBondContact O-N 3.49Å; C118-D120 VanDerWaalsContact O-N 3.12Å; C118-L121 HydrophobicContact CB-CB 4.04Å; C118-L121 HydrophobicContact CB-CD1 4.08Å; C118-L121 HydrophobicContact CB-CG 4.43Å; C118-L121 PolarHBondContact O-N 2.97Å; C118-L121 VanDerWaalsContact O-N 3.15Å; C118-L122 WeakPolarHBondContact O-CB 3.33Å; C118-L122 WeakPolarHBondContact O-CD1 3.29Å; C118-L122 WeakPolarHBondContact O-CG 3.39Å
119E33Very low42.6Very low130 Ų13085 Ų8561%0.60745%0.453SS*.G310 helixtrans-56.2-28-178.2-61-153.3140.300111.9N117 R124N117-E119 HydrophobicContact CB-CG 3.94Å; N117-E119 PolarHBondContact O-N 3.31Å; E119-R124 IonicContact OE1-NH1 2.91Å
120D33.2Very low42.4Very low148 Ų14888.1 Ų88.179%0.79147%0.469SS*.G310 helixtrans-90.4-6.3-176.6-57-37.8000115.1C118C118-D120 PolarHBondContact O-N 3.49Å; C118-D120 VanDerWaalsContact O-N 3.12Å
121L36.5Very low42.1Very low68 Ų6887 Ų8736%0.35646%0.463SS..G310 helixtrans-114.710.9-178-65.3168000112.4L50 C118L50-L121 HydrophobicContact CD1-CB 3.69Å; L50-L121 HydrophobicContact CD1-CD2 3.6Å; L50-L121 HydrophobicContact CD1-CG 4.18Å; C118-L121 HydrophobicContact CB-CB 4.04Å; C118-L121 HydrophobicContact CB-CD1 4.08Å; C118-L121 HydrophobicContact CB-CG 4.43Å; C118-L121 PolarHBondContact O-N 2.97Å; C118-L121 VanDerWaalsContact O-N 3.15Å
122L36.9Very low42Very low38 Ų3886.9 Ų86.920%0.19946%0.463CS..  trans-108107.2-164.1-99.7152.6000109.9Q52 C118 R124Q52-L122 VanDerWaalsContact CD-CD2 3.41Å; C118-L122 WeakPolarHBondContact O-CB 3.33Å; C118-L122 WeakPolarHBondContact O-CD1 3.29Å; C118-L122 WeakPolarHBondContact O-CG 3.39Å; L122-R124 HydrophobicContact CB-CG 4.16Å; L122-R124 HydrophobicContact CD2-CG 3.78Å; L122-R124 HydrophobicContact CG-CG 4.46Å; L122-R124 PolarHBondContact O-N 3.09Å
123F40.2Very low42Very low51 Ų5183.8 Ų83.822%0.22444%0.444CS..  trans-65.974.9150.3-136.3-72000108.6D48 P125 T163 F167D48-F123 HydrophobicContact CB-CD2 4.32Å; D48-F123 HydrophobicContact CB-CE2 4Å; D48-F123 WeakPolarHBondContact O-CD2 3.08Å; D48-F123 WeakPolarHBondContact O-CE2 3.42Å; F123-P125 WeakPolarHBondContact O-CD 3.05Å; F123-T163 HydrophobicContact CD1-CG2 4.08Å; F123-T163 HydrophobicContact CE1-CG2 2.96Å; F123-T163 HydrophobicContact CE2-CG2 4.08Å; F123-T163 WeakPolarHBondContact CE2-OG1 3.43Å; F123-T163 HydrophobicContact CZ-CG2 2.97Å; F123-T163 WeakPolarHBondContact CZ-OG1 3.34Å; F123-F167 AromaticContact CD1-CE2 3.76Å; F123-F167 HydrophobicContact CD1-CE2 3.76Å; F123-F167 HydrophobicContact CD1-CZ 4.14Å; F123-F167 AromaticContact CE1-CE2 3.9Å; F123-F167 HydrophobicContact CE1-CE2 3.9Å
124R39.9Very low42.3Very low126 Ų12684.2 Ų84.248%0.47545%0.447SS..  trans-79108.6161-81.8177.5-179.4164.20.5105E119 L122 S126E119-R124 IonicContact OE1-NH1 2.91Å; L122-R124 HydrophobicContact CB-CG 4.16Å; L122-R124 HydrophobicContact CD2-CG 3.78Å; L122-R124 HydrophobicContact CG-CG 4.46Å; L122-R124 PolarHBondContact O-N 3.09Å; R124-S126 PolarHBondContact O-N 3.29Å; R124-S126 VanDerWaalsContact O-N 3.09Å
125P41.1Very low42.8Very low33 Ų3385.1 Ų85.121%0.21445%0.454CS..  trans-49127.6153.322.5-29.2000104.7F123 M129 F167F123-P125 WeakPolarHBondContact O-CD 3.05Å; P125-M129 HydrophobicContact CB-CB 3.56Å; P125-M129 HydrophobicContact CB-CG 4.45Å; P125-M129 HydrophobicContact CB-SD 4.22Å; P125-F167 HydrophobicContact CB-CE1 4.09Å; P125-F167 HydrophobicContact CB-CZ 3.99Å; P125-F167 HydrophobicContact CG-CE1 3.84Å; P125-F167 HydrophobicContact CG-CZ 3.85Å
126S41.7Very low43.8Very low55 Ų5577.6 Ų77.639%0.38543%0.426SS..  trans-49.5154.6175.266.20000107.7R124 D128 M129R124-S126 PolarHBondContact O-N 3.29Å; R124-S126 VanDerWaalsContact O-N 3.09Å; S126-D128 WeakPolarHBondContact CB-OD2 3.16Å; S126-D128 PolarHBondContact O-N 3.22Å; S126-D128 WeakPolarHBondContact OG-CB 3.39Å; S126-D128 PolarHBondContact OG-N 3.41Å; S126-D128 PolarHBondContact OG-OD2 3.18Å; S126-D128 VanDerWaalsContact OG-OD2 3.05Å; S126-M129 PolarHBondContact O-N 3.09Å; S126-M129 PolarHBondContact OG-N 2.79Å
127M43.1Very low44.8Very low180 Ų18076.9 Ų76.989%0.88742%0.416SS*.THydrogen-bonded Turntrans-52.1-18.2174.5-66-161.6-14600111.7P131M127-P131 WeakPolarHBondContact O-CD 3.47Å; M127-P131 WeakPolarHBondContact O-CG 3.49Å
128D43.6Very low45.8Very low112 Ų11277.2 Ų77.260%0.59941%0.413SS*.THydrogen-bonded Turntrans-81.6-25176.3-32.8-58.6000114.6S126 P131 A132S126-D128 WeakPolarHBondContact CB-OD2 3.16Å; S126-D128 PolarHBondContact O-N 3.22Å; S126-D128 WeakPolarHBondContact OG-CB 3.39Å; S126-D128 PolarHBondContact OG-N 3.41Å; S126-D128 PolarHBondContact OG-OD2 3.18Å; S126-D128 VanDerWaalsContact OG-OD2 3.05Å; D128-P131 WeakPolarHBondContact O-CD 3.5Å; D128-P131 WeakPolarHBondContact O-CG 3.25Å; D128-A132 WeakPolarHBondContact O-CB 2.93Å; D128-A132 PolarHBondContact O-N 2.88Å
129M48.2Very low47Very low33 Ų3381.7 Ų81.716%0.16343%0.431CS..Hα-helixtrans-74.3-38.7-173.7-109-158.972.400113.7P125 S126 S133 T163 L164 F167P125-M129 HydrophobicContact CB-CB 3.56Å; P125-M129 HydrophobicContact CB-CG 4.45Å; P125-M129 HydrophobicContact CB-SD 4.22Å; S126-M129 PolarHBondContact O-N 3.09Å; S126-M129 PolarHBondContact OG-N 2.79Å; M129-S133 WeakPolarHBondContact O-CB 3.34Å; M129-S133 PolarHBondContact O-N 3.07Å; M129-S133 PolarHBondContact O-OG 3.05Å; M129-T163 HydrophobicContact SD-CG2 4.44Å; M129-L164 HydrophobicContact CE-CD1 3.63Å; M129-F167 HydrophobicContact CE-CB 3.66Å; M129-F167 HydrophobicContact CE-CD1 4.34Å; M129-F167 HydrophobicContact CE-CD2 3.48Å; M129-F167 VanDerWaalsContact CE-CD2 3.48Å; M129-F167 HydrophobicContact CE-CE2 4.21Å; M129-F167 HydrophobicContact CE-CG 3.56Å
130N50.4Low47.9Very low84 Ų8476.7 Ų76.745%0.44941%0.41SS..Hα-helixtrans-63-53.3173.5-86.4-12.8000111.4A132 S133 L134N130-A132 VanDerWaalsContact C-N 3.34Å; N130-A132 PolarHBondContact O-N 2.8Å; N130-S133 PolarHBondContact O-N 3.05Å; N130-S133 PolarHBondContact O-OG 3.32Å; N130-S133 VanDerWaalsContact O-OG 3.05Å; N130-L134 VanDerWaalsContact O-CB 3.24Å; N130-L134 WeakPolarHBondContact O-CB 3.38Å; N130-L134 WeakPolarHBondContact O-CD1 3.47Å; N130-L134 PolarHBondContact O-N 3.12Å
131P47.7Very low49Very low68 Ų6875.8 Ų75.844%0.44240%0.404SS..Hα-helixtrans-66-32.6176.323.9-30.6000112.4M127 D128 S135M127-P131 WeakPolarHBondContact O-CD 3.47Å; M127-P131 WeakPolarHBondContact O-CG 3.49Å; D128-P131 WeakPolarHBondContact O-CD 3.5Å; D128-P131 WeakPolarHBondContact O-CG 3.25Å; P131-S135 WeakPolarHBondContact O-CA 3.36Å; P131-S135 WeakPolarHBondContact O-CB 3.21Å; P131-S135 PolarHBondContact O-N 3.37Å; P131-S135 PolarHBondContact O-OG 2.99Å
132A49.8Very low50.1Low48 Ų4880.9 Ų80.940%0.39743%0.426SS..Hα-helixtrans-69-42.5176.200000112.9D128 N130 S135 V136D128-A132 WeakPolarHBondContact O-CB 2.93Å; D128-A132 PolarHBondContact O-N 2.88Å; N130-A132 VanDerWaalsContact C-N 3.34Å; N130-A132 PolarHBondContact O-N 2.8Å; A132-S135 WeakPolarHBondContact CA-OG 3.25Å; A132-S135 PolarHBondContact O-OG 3.4Å; A132-V136 WeakPolarHBondContact O-CB 3.28Å; A132-V136 WeakPolarHBondContact O-CG2 3.05Å; A132-V136 PolarHBondContact O-N 2.82Å
133S52Low51Low12 Ų1284.6 Ų84.68%0.08445%0.445CS..Hα-helixtrans-68.3-40.2175.657.50000111.5M129 N130 L137M129-S133 WeakPolarHBondContact O-CB 3.34Å; M129-S133 PolarHBondContact O-N 3.07Å; M129-S133 PolarHBondContact O-OG 3.05Å; N130-S133 PolarHBondContact O-N 3.05Å; N130-S133 PolarHBondContact O-OG 3.32Å; N130-S133 VanDerWaalsContact O-OG 3.05Å; S133-L137 VanDerWaalsContact O-CB 3.31Å; S133-L137 WeakPolarHBondContact O-CB 3.34Å; S133-L137 WeakPolarHBondContact O-CD1 3.14Å; S133-L137 PolarHBondContact O-N 2.95Å
134L55.4Low51.2Low95 Ų9585.1 Ų85.150%0.49747%0.466SS..Hα-helixtrans-68.1-38.6174.6-85.3151.2000112.6N130 L137 Q138N130-L134 VanDerWaalsContact O-CB 3.24Å; N130-L134 WeakPolarHBondContact O-CB 3.38Å; N130-L134 WeakPolarHBondContact O-CD1 3.47Å; N130-L134 PolarHBondContact O-N 3.12Å; L134-L137 PolarHBondContact O-N 2.86Å; L134-Q138 VanDerWaalsContact O-CB 3.22Å; L134-Q138 WeakPolarHBondContact O-CB 3.4Å; L134-Q138 VanDerWaalsContact O-CG 3.23Å; L134-Q138 WeakPolarHBondContact O-CG 3.49Å; L134-Q138 PolarHBondContact O-N 2.83Å
135S57.7Low51.3Low52 Ų5283.5 Ų83.536%0.36447%0.466SS..Hα-helixtrans-68.4-45.7178.866.10000110.4P131 A132 L137 Q138 E139P131-S135 WeakPolarHBondContact O-CA 3.36Å; P131-S135 WeakPolarHBondContact O-CB 3.21Å; P131-S135 PolarHBondContact O-N 3.37Å; P131-S135 PolarHBondContact O-OG 2.99Å; A132-S135 WeakPolarHBondContact CA-OG 3.25Å; A132-S135 PolarHBondContact O-OG 3.4Å; S135-L137 VanDerWaalsContact C-N 3.31Å; S135-L137 PolarHBondContact O-N 3.41Å; S135-Q138 PolarHBondContact O-N 2.91Å; S135-E139 VanDerWaalsContact O-CB 3.22Å; S135-E139 WeakPolarHBondContact O-CB 3.47Å; S135-E139 PolarHBondContact O-N 2.83Å
136V59.9Low51.5Low61 Ų6191.7 Ų91.737%0.3750%0.501SS..Hα-helixtrans-58.8-45.3173.6171.80000110.3A132 E139 C140A132-V136 WeakPolarHBondContact O-CB 3.28Å; A132-V136 WeakPolarHBondContact O-CG2 3.05Å; A132-V136 PolarHBondContact O-N 2.82Å; V136-E139 PolarHBondContact O-N 3.44Å; V136-C140 WeakPolarHBondContact O-CB 3.18Å; V136-C140 PolarHBondContact O-N 3.41Å; V136-C140 PolarHBondContact O-SG 3.34Å
137L57.6Low51.8Low71 Ų7196.7 Ų96.737%0.37252%0.516SS..Hα-helixtrans-62.8-43.8175.4-94.5153000112.7S133 L134 S135 C140 L141S133-L137 VanDerWaalsContact O-CB 3.31Å; S133-L137 WeakPolarHBondContact O-CB 3.34Å; S133-L137 WeakPolarHBondContact O-CD1 3.14Å; S133-L137 PolarHBondContact O-N 2.95Å; L134-L137 PolarHBondContact O-N 2.86Å; S135-L137 VanDerWaalsContact C-N 3.31Å; S135-L137 PolarHBondContact O-N 3.41Å; L137-C140 PolarHBondContact O-N 3.01Å; L137-L141 WeakPolarHBondContact O-CB 3.23Å; L137-L141 VanDerWaalsContact O-CG 3.24Å; L137-L141 WeakPolarHBondContact O-CG 3.39Å; L137-L141 PolarHBondContact O-N 3.3Å
138Q58.3Low52.1Low120 Ų12094.1 Ų94.156%0.56151%0.505SS*.Hα-helixtrans-66.6-38.4179.5-82.2179.1-20.900111.6L134 S135 L141 H142L134-Q138 VanDerWaalsContact O-CB 3.22Å; L134-Q138 WeakPolarHBondContact O-CB 3.4Å; L134-Q138 VanDerWaalsContact O-CG 3.23Å; L134-Q138 WeakPolarHBondContact O-CG 3.49Å; L134-Q138 PolarHBondContact O-N 2.83Å; S135-Q138 PolarHBondContact O-N 2.91Å; Q138-L141 CarbonylContact O-C 3.25Å; Q138-L141 PolarHBondContact O-N 3.31Å; Q138-H142 WeakPolarHBondContact O-CB 3.44Å; Q138-H142 PolarHBondContact O-N 3.05Å
139E59.8Low52.5Low130 Ų13093 Ų9361%0.60750%0.495SS*.Hα-helixtrans-70.5-41177.4-163.3150.9-161.600110.5S135 V136 L141 H142 L143S135-E139 VanDerWaalsContact O-CB 3.22Å; S135-E139 WeakPolarHBondContact O-CB 3.47Å; S135-E139 PolarHBondContact O-N 2.83Å; V136-E139 PolarHBondContact O-N 3.44Å; E139-L141 VanDerWaalsContact C-N 3.32Å; E139-L141 PolarHBondContact O-N 3.04Å; E139-H142 PolarHBondContact O-N 3.09Å; E139-L143 VanDerWaalsContact O-CG 3.22Å; E139-L143 WeakPolarHBondContact O-CG 3.13Å; E139-L143 PolarHBondContact O-N 2.87Å
140C53.6Low52.8Low26 Ų2698.5 Ų98.518%0.17652%0.523CS..Hα-helixtrans-57.2-44.1168-70.20000112.1V136 L137 F149V136-C140 WeakPolarHBondContact O-CB 3.18Å; V136-C140 PolarHBondContact O-N 3.41Å; V136-C140 PolarHBondContact O-SG 3.34Å; L137-C140 PolarHBondContact O-N 3.01Å; C140-F149 HydrophobicContact CB-CD1 3.9Å; C140-F149 HydrophobicContact CB-CE1 3.56Å; C140-F149 HydrophobicContact CB-CE2 4.25Å; C140-F149 HydrophobicContact CB-CG 4.39Å; C140-F149 HydrophobicContact CB-CZ 3.77Å; C140-F149 WeakPolarHBondContact O-CZ 2.9Å
141L56.4Low53Low129 Ų12998.3 Ų98.368%0.67553%0.525SS*.Hα-helixtrans-67.4-40.6177-73166000112.2L137 Q138 E139 L143 G144L137-L141 WeakPolarHBondContact O-CB 3.23Å; L137-L141 VanDerWaalsContact O-CG 3.24Å; L137-L141 WeakPolarHBondContact O-CG 3.39Å; L137-L141 PolarHBondContact O-N 3.3Å; Q138-L141 CarbonylContact O-C 3.25Å; Q138-L141 PolarHBondContact O-N 3.31Å; E139-L141 VanDerWaalsContact C-N 3.32Å; E139-L141 PolarHBondContact O-N 3.04Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-L143 PolarHBondContact O-N 3.15Å; L141-G144 PolarHBondContact O-N 3.12Å; L141-G144 VanDerWaalsContact O-N 3.13Å
142H58.7Low53.4Low175 Ų175102 Ų10281%0.8154%0.541SS*.Hα-helixtrans-66.4-31.9179.6-118.584.1000112.6Q138 E139 G144Q138-H142 WeakPolarHBondContact O-CB 3.44Å; Q138-H142 PolarHBondContact O-N 3.05Å; E139-H142 PolarHBondContact O-N 3.09Å; H142-G144 PolarHBondContact O-N 2.78Å
143L56.2Low53.9Low115 Ų115101.8 Ų101.860%0.60253%0.534SS*.THydrogen-bonded Turntrans-64.7-2.8174.2-71.9167.2000112.9E139 L141 L145E139-L143 VanDerWaalsContact O-CG 3.22Å; E139-L143 WeakPolarHBondContact O-CG 3.13Å; E139-L143 PolarHBondContact O-N 2.87Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-L143 PolarHBondContact O-N 3.15Å; L143-L145 HydrophobicContact CB-CD1 4.05Å; L143-L145 HydrophobicContact CB-CG 4.41Å; L143-L145 WeakPolarHBondContact O-CG 3.43Å; L143-L145 PolarHBondContact O-N 3.43Å
144G44.1Very low54.5Low63 Ų63106.1 Ų106.165%0.64956%0.564SS**THydrogen-bonded Turntrans66.915.1166.800000114.1L141 H142 Q146L141-G144 PolarHBondContact O-N 3.12Å; L141-G144 VanDerWaalsContact O-N 3.13Å; H142-G144 PolarHBondContact O-N 2.78Å; G144-Q146 PolarHBondContact O-N 2.63Å
145L41.4Very low54.8Low91 Ų91103.8 Ų103.848%0.47656%0.562SS.*  trans-85.6106.3-172.3-70.6162000109.7L143 K147 F149L143-L145 HydrophobicContact CB-CD1 4.05Å; L143-L145 HydrophobicContact CB-CG 4.41Å; L143-L145 WeakPolarHBondContact O-CG 3.43Å; L143-L145 PolarHBondContact O-N 3.43Å; L145-K147 PolarHBondContact O-N 3.23Å; L145-F149 HydrophobicContact CB-CE1 4.35Å; L145-F149 HydrophobicContact CB-CZ 3.85Å; L145-F149 HydrophobicContact CD1-CE1 4.17Å; L145-F149 HydrophobicContact CD1-CZ 4.48Å
146Q46.9Very low55Low205 Ų205105.3 Ų105.396%0.95857%0.573SS**  trans-64.419.8163.2-65.5-165.5-16.700113.4G144G144-Q146 PolarHBondContact O-N 2.63Å
147K47.7Very low55.1Low160 Ų160107 Ų10770%0.69659%0.593SS**SBendtrans-116.8146.1-170.7-69.8-177178.1177.80110.9L145 F149L145-K147 PolarHBondContact O-N 3.23Å; K147-F149 WeakPolarHBondContact O-CD2 3.34Å; K147-F149 PolarHBondContact O-N 2.94Å
148L48.1Very low55.3Low126 Ų126107.7 Ų107.766%0.6662%0.618SS**  trans-47.3122.1177.4-171.380.7000111.3
149F52.5Low55.7Low90 Ų90106 Ų10640%0.39562%0.616SS.*  trans-86.4128.1172.5-66.6-86000110C140 L145 K147C140-F149 HydrophobicContact CB-CD1 3.9Å; C140-F149 HydrophobicContact CB-CE1 3.56Å; C140-F149 HydrophobicContact CB-CE2 4.25Å; C140-F149 HydrophobicContact CB-CG 4.39Å; C140-F149 HydrophobicContact CB-CZ 3.77Å; C140-F149 WeakPolarHBondContact O-CZ 2.9Å; L145-F149 HydrophobicContact CB-CE1 4.35Å; L145-F149 HydrophobicContact CB-CZ 3.85Å; L145-F149 HydrophobicContact CD1-CE1 4.17Å; L145-F149 HydrophobicContact CD1-CZ 4.48Å; K147-F149 WeakPolarHBondContact O-CD2 3.34Å; K147-F149 PolarHBondContact O-N 2.94Å
150I54Low55.9Low147 Ų147101.4 Ų101.475%0.75460%0.602SS**  trans-104.5109.4168.4-58.1175.6000106.3
151V55.6Low56.5Low81 Ų81102.3 Ų102.349%0.49160%0.603SS.*  trans-99.3115.6175.8-179.10000107.9V153 F168V151-V153 HydrophobicContact CG1-CG2 4.26Å; V151-F168 HydrophobicContact CG1-CE2 4.38Å; V151-F168 HydrophobicContact CG1-CZ 4.44Å
152L55.7Low56.9Low146 Ų14697.7 Ų97.776%0.76458%0.582SS**  trans-90.8121.3172.7-178.365000109.2
153V60.1Low57.2Low43 Ų4390.2 Ų90.226%0.26155%0.549SS..  trans-105.1108174.4-177.20000108.8V151 K161 L164 V165 F168V151-V153 HydrophobicContact CG1-CG2 4.26Å; V153-K161 HydrophobicContact CG1-CB 3.93Å; V153-K161 HydrophobicContact CG1-CG 4.17Å; V153-L164 HydrophobicContact CG1-CD2 4.07Å; V153-V165 HydrophobicContact CB-CG2 4.19Å; V153-V165 HydrophobicContact CG1-CG2 4.42Å; V153-V165 HydrophobicContact CG2-CG2 3.96Å; V153-F168 HydrophobicContact CG2-CE2 4.27Å
154C65.1Low57.7Low103 Ų10387.1 Ų87.170%0.69653%0.533SS*.  trans-125.7157.5178.759.60000111.5
155G62.5Low58.7Low46 Ų4685.2 Ų85.247%0.47451%0.508SS..  trans158.2167.5-175.700000112.3K161G155-K161 WeakPolarHBondContact O-CD 3.05Å; G155-K161 WeakPolarHBondContact O-CE 3.48Å; G155-K161 PolarHBondContact O-NZ 3.34Å
156S60.6Low59.9Low83 Ų8382.3 Ų82.358%0.5849%0.491SS*.  trans-64.7166.2-178.850.40000112.8V159 K161S156-V159 VanDerWaalsContact O-CG2 3.26Å; S156-V159 WeakPolarHBondContact O-CG2 3.23Å; S156-V159 WeakPolarHBondContact OG-CG1 3.38Å; S156-K161 PolarHBondContact O-NZ 3.48Å
157A63.6Low60.6Low97 Ų9774 Ų7480%0.80245%0.452SS*.THydrogen-bonded Turntrans-60.8140.5174.100000110.2V159A157-V159 PolarHBondContact O-N 2.93Å
158G61.5Low61.3Low86 Ų8667.7 Ų67.789%0.88742%0.424SS*.THydrogen-bonded Turntrans83.6-5.5177.200000116.8G160G158-G160 PolarHBondContact O-N 3.26Å
159V67Low61.6Low85 Ų8566.7 Ų66.752%0.51542%0.42SS..SBendtrans-77.11.5-178.4-54.60000115.4S156 A157 K161S156-V159 VanDerWaalsContact O-CG2 3.26Å; S156-V159 WeakPolarHBondContact O-CG2 3.23Å; S156-V159 WeakPolarHBondContact OG-CG1 3.38Å; A157-V159 PolarHBondContact O-N 2.93Å; V159-K161 HydrophobicContact CG2-CD 4.42Å; V159-K161 HydrophobicContact CG2-CG 3.64Å
160G64.1Low61.8Low32 Ų3262.8 Ų62.833%0.3340%0.402SS..SBendtrans84.826.4179.600000115.8G158 T163 L164G158-G160 PolarHBondContact O-N 3.26Å; G160-T163 VanDerWaalsContact O-CB 3.27Å; G160-T163 WeakPolarHBondContact O-CB 3.27Å; G160-T163 PolarHBondContact O-N 2.83Å; G160-L164 PolarHBondContact O-N 2.95Å
161K65.5Low61.5Low45 Ų4564.8 Ų64.820%0.19641%0.405CS..Hα-helixtrans-56.6-52.7176.6-60-174-64.4-800113.2V153 G155 S156 V159 T163 L164 V165V153-K161 HydrophobicContact CG1-CB 3.93Å; V153-K161 HydrophobicContact CG1-CG 4.17Å; G155-K161 WeakPolarHBondContact O-CD 3.05Å; G155-K161 WeakPolarHBondContact O-CE 3.48Å; G155-K161 PolarHBondContact O-NZ 3.34Å; S156-K161 PolarHBondContact O-NZ 3.48Å; V159-K161 HydrophobicContact CG2-CD 4.42Å; V159-K161 HydrophobicContact CG2-CG 3.64Å; K161-T163 PolarHBondContact O-N 3.05Å; K161-L164 WeakPolarHBondContact O-CB 3.3Å; K161-L164 PolarHBondContact O-N 3Å; K161-L164 VanDerWaalsContact O-N 3.09Å; K161-V165 WeakPolarHBondContact O-CG2 3.17Å; K161-V165 PolarHBondContact O-N 3.24Å
162S65.4Low61.2Low33 Ų3364.9 Ų64.923%0.23141%0.41CS..Hα-helixtrans-60.6-38.4179.9-50.60000111.1V165 R166 E183S162-V165 PolarHBondContact O-N 3.16Å; S162-R166 WeakPolarHBondContact O-CG 3.49Å; S162-R166 PolarHBondContact O-N 3.06Å; S162-E183 WeakPolarHBondContact CB-OE1 3.49Å
163T64.3Low61Low17 Ų1760 Ų6010%0.10439%0.386CS..Hα-helixtrans-58.9-52.8170.8-69.70000111.9F123 M129 G160 K161 V165 R166 F167F123-T163 HydrophobicContact CD1-CG2 4.08Å; F123-T163 HydrophobicContact CE1-CG2 2.96Å; F123-T163 HydrophobicContact CE2-CG2 4.08Å; F123-T163 WeakPolarHBondContact CE2-OG1 3.43Å; F123-T163 HydrophobicContact CZ-CG2 2.97Å; F123-T163 WeakPolarHBondContact CZ-OG1 3.34Å; M129-T163 HydrophobicContact SD-CG2 4.44Å; G160-T163 VanDerWaalsContact O-CB 3.27Å; G160-T163 WeakPolarHBondContact O-CB 3.27Å; G160-T163 PolarHBondContact O-N 2.83Å; K161-T163 PolarHBondContact O-N 3.05Å; T163-V165 PolarHBondContact O-N 3.46Å; T163-R166 WeakPolarHBondContact O-CA 3.28Å; T163-R166 VanDerWaalsContact O-CB 3.29Å; T163-R166 WeakPolarHBondContact O-CB 3.45Å; T163-R166 PolarHBondContact O-N 3.41Å; T163-F167 HydrophobicContact CG2-CD2 3.91Å; T163-F167 HydrophobicContact CG2-CE2 3.92Å; T163-F167 WeakPolarHBondContact O-CD2 3.5Å; T163-F167 PolarHBondContact O-N 3.15Å; T163-F167 VanDerWaalsContact O-N 3.15Å
164L65.8Low60.7Low51 Ų5162.9 Ų62.927%0.26740%0.395SS..Hα-helixtrans-57.8-42.7-177.9179.263.8000110.7M129 V153 G160 K161 R166 F167 F168M129-L164 HydrophobicContact CE-CD1 3.63Å; V153-L164 HydrophobicContact CG1-CD2 4.07Å; G160-L164 PolarHBondContact O-N 2.95Å; K161-L164 WeakPolarHBondContact O-CB 3.3Å; K161-L164 PolarHBondContact O-N 3Å; K161-L164 VanDerWaalsContact O-N 3.09Å; L164-R166 VanDerWaalsContact C-N 3.26Å; L164-R166 PolarHBondContact O-N 3.47Å; L164-F167 PolarHBondContact O-N 3.11Å; L164-F168 HydrophobicContact CD1-CE2 4.15Å; L164-F168 HydrophobicContact CD1-CZ 4.38Å; L164-F168 HydrophobicContact CD2-CE2 4.2Å; L164-F168 HydrophobicContact CG-CD2 4.36Å; L164-F168 HydrophobicContact CG-CE2 3.76Å; L164-F168 HydrophobicContact CG-CZ 4.39Å; L164-F168 WeakPolarHBondContact O-CD2 3.35Å; L164-F168 PolarHBondContact O-N 3.13Å
165V65.1Low60.3Low22 Ų2258.4 Ų58.413%0.13337%0.365CS..Hα-helixtrans-58.4-38173.5173.60000111.6V153 K161 S162 T163 F167 F168 Y170 S175V153-V165 HydrophobicContact CB-CG2 4.19Å; V153-V165 HydrophobicContact CG1-CG2 4.42Å; V153-V165 HydrophobicContact CG2-CG2 3.96Å; K161-V165 WeakPolarHBondContact O-CG2 3.17Å; K161-V165 PolarHBondContact O-N 3.24Å; S162-V165 PolarHBondContact O-N 3.16Å; T163-V165 PolarHBondContact O-N 3.46Å; V165-F167 VanDerWaalsContact C-N 3.29Å; V165-F167 PolarHBondContact O-N 3.23Å; V165-F168 PolarHBondContact O-N 2.96Å; V165-Y170 VanDerWaalsContact C-OH 3.3Å; V165-Y170 WeakPolarHBondContact O-CE1 3.25Å; V165-Y170 PolarHBondContact O-OH 3.14Å; V165-S175 WeakPolarHBondContact CG1-OG 3.25Å
166R66.3Low59.9Low31 Ų3162.3 Ų62.312%0.11737%0.369CS..Hα-helixtrans-63.1-28.7174.2-72.4179.1-158.7163.311.7114.8F29 V49 S162 T163 L164 Y170 E183 L199F29-R166 WeakPolarHBondContact CZ-O 3.49Å; V49-R166 VanDerWaalsContact CG2-NH1 3.35Å; S162-R166 WeakPolarHBondContact O-CG 3.49Å; S162-R166 PolarHBondContact O-N 3.06Å; T163-R166 WeakPolarHBondContact O-CA 3.28Å; T163-R166 VanDerWaalsContact O-CB 3.29Å; T163-R166 WeakPolarHBondContact O-CB 3.45Å; T163-R166 PolarHBondContact O-N 3.41Å; L164-R166 VanDerWaalsContact C-N 3.26Å; L164-R166 PolarHBondContact O-N 3.47Å; R166-Y170 WeakPolarHBondContact CA-OH 2.97Å; R166-Y170 PolarHBondContact N-OH 3.47Å; R166-Y170 WeakPolarHBondContact O-CE2 3.4Å; R166-E183 IonicContact CZ-OE1 3.31Å; R166-E183 VanDerWaalsContact CZ-OE1 3.31Å; R166-E183 IonicContact NE-OE1 2.91Å; R166-E183 PolarHBondContact NE-OE1 3.17Å; R166-E183 IonicContact NH2-OE1 2.83Å; R166-E183 PolarHBondContact NH2-OE1 2.95Å; R166-L199 HydrophobicContact CG-CB 4.1Å; R166-L199 HydrophobicContact CG-CD1 4.29Å
167F62.7Low59.8Low31 Ų3158.6 Ų58.614%0.13634%0.343CS..Hα-helixtrans-85.8-23.3179.3-87.1-85.6000113.9F123 P125 M129 T163 L164 V165 N169F123-F167 AromaticContact CD1-CE2 3.76Å; F123-F167 HydrophobicContact CD1-CE2 3.76Å; F123-F167 HydrophobicContact CD1-CZ 4.14Å; F123-F167 AromaticContact CE1-CE2 3.9Å; F123-F167 HydrophobicContact CE1-CE2 3.9Å; P125-F167 HydrophobicContact CB-CE1 4.09Å; P125-F167 HydrophobicContact CB-CZ 3.99Å; P125-F167 HydrophobicContact CG-CE1 3.84Å; P125-F167 HydrophobicContact CG-CZ 3.85Å; M129-F167 HydrophobicContact CE-CB 3.66Å; M129-F167 HydrophobicContact CE-CD1 4.34Å; M129-F167 HydrophobicContact CE-CD2 3.48Å; M129-F167 VanDerWaalsContact CE-CD2 3.48Å; M129-F167 HydrophobicContact CE-CE2 4.21Å; M129-F167 HydrophobicContact CE-CG 3.56Å; T163-F167 HydrophobicContact CG2-CD2 3.91Å; T163-F167 HydrophobicContact CG2-CE2 3.92Å; T163-F167 WeakPolarHBondContact O-CD2 3.5Å; T163-F167 PolarHBondContact O-N 3.15Å; T163-F167 VanDerWaalsContact O-N 3.15Å; L164-F167 PolarHBondContact O-N 3.11Å; V165-F167 VanDerWaalsContact C-N 3.29Å; V165-F167 PolarHBondContact O-N 3.23Å; F167-N169 PolarHBondContact O-N 3.15Å
168F62.4Low59.6Low27 Ų2758 Ų5812%0.11833%0.327CS..SBendtrans-63.2126.9178-81.5-59.9000111.4V151 V153 L164 V165 Y170V151-F168 HydrophobicContact CG1-CE2 4.38Å; V151-F168 HydrophobicContact CG1-CZ 4.44Å; V153-F168 HydrophobicContact CG2-CE2 4.27Å; L164-F168 HydrophobicContact CD1-CE2 4.15Å; L164-F168 HydrophobicContact CD1-CZ 4.38Å; L164-F168 HydrophobicContact CD2-CE2 4.2Å; L164-F168 HydrophobicContact CG-CD2 4.36Å; L164-F168 HydrophobicContact CG-CE2 3.76Å; L164-F168 HydrophobicContact CG-CZ 4.39Å; L164-F168 WeakPolarHBondContact O-CD2 3.35Å; L164-F168 PolarHBondContact O-N 3.13Å; V165-F168 PolarHBondContact O-N 2.96Å; F168-Y170 WeakPolarHBondContact O-CD1 3.21Å; F168-Y170 WeakPolarHBondContact O-CD2 3.42Å; F168-Y170 PolarHBondContact O-N 2.92Å; F168-Y170 VanDerWaalsContact O-N 3.13Å
169N54.2Low59.2Low105 Ų10556.4 Ų56.456%0.56130%0.3SS*.  trans-66.5112.5-175.6-166-10.2000111.1F167 K171F167-N169 PolarHBondContact O-N 3.15Å; N169-K171 VanDerWaalsContact C-N 3.28Å; N169-K171 PolarHBondContact O-N 3.22Å
170Y56.3Low58.6Low8 Ų855.4 Ų55.43%0.03131%0.306CS..  trans-77.421-160.5-70.6-63000117.9F29 V165 R166 F168 S172 V173 I195 L199F29-Y170 HydrophobicContact CE1-CD2 4.11Å; F29-Y170 HydrophobicContact CE1-CE2 4.45Å; F29-Y170 AromaticContact CZ-CD2 3.93Å; F29-Y170 HydrophobicContact CZ-CD2 3.93Å; F29-Y170 AromaticContact CZ-CE2 3.82Å; F29-Y170 HydrophobicContact CZ-CE2 3.82Å; V165-Y170 VanDerWaalsContact C-OH 3.3Å; V165-Y170 WeakPolarHBondContact O-CE1 3.25Å; V165-Y170 PolarHBondContact O-OH 3.14Å; R166-Y170 WeakPolarHBondContact CA-OH 2.97Å; R166-Y170 PolarHBondContact N-OH 3.47Å; R166-Y170 WeakPolarHBondContact O-CE2 3.4Å; F168-Y170 WeakPolarHBondContact O-CD1 3.21Å; F168-Y170 WeakPolarHBondContact O-CD2 3.42Å; F168-Y170 PolarHBondContact O-N 2.92Å; F168-Y170 VanDerWaalsContact O-N 3.13Å; Y170-S172 PolarHBondContact O-N 3.21Å; Y170-V173 HydrophobicContact CD1-CB 4Å; Y170-V173 HydrophobicContact CD1-CG2 4.22Å; Y170-V173 HydrophobicContact CE1-CB 4.46Å; Y170-I195 HydrophobicContact CD1-CB 3.68Å; Y170-I195 HydrophobicContact CD1-CD1 3.55Å; Y170-I195 HydrophobicContact CD1-CG1 4.22Å; Y170-I195 HydrophobicContact CD1-CG2 3.54Å; Y170-I195 HydrophobicContact CD2-CG2 3.9Å; Y170-I195 HydrophobicContact CE1-CB 4.27Å; Y170-I195 HydrophobicContact CE1-CD1 3.26Å; Y170-I195 HydrophobicContact CE1-CG1 4.35Å; Y170-I195 HydrophobicContact CE1-CG2 4.09Å; Y170-I195 HydrophobicContact CE2-CG2 4.33Å; Y170-I195 HydrophobicContact CG-CB 4.01Å; Y170-I195 HydrophobicContact CG-CG2 3.43Å; Y170-I195 VanDerWaalsContact CG-CG2 3.43Å; Y170-L199 HydrophobicContact CE1-CD1 4.48Å; Y170-L199 HydrophobicContact CE2-CB 4.06Å; Y170-L199 HydrophobicContact CE2-CD1 4.46Å; Y170-L199 HydrophobicContact CE2-CG 3.86Å; Y170-L199 WeakPolarHBondContact OH-CD1 2.99Å; Y170-L199 WeakPolarHBondContact OH-CG 2.86Å
171K48.2Very low58.5Low188 Ų18857.2 Ų57.282%0.81731%0.306SS*.THydrogen-bonded Turntrans-60.5-15.3-175.9-75-170.3174.6-178.60113.7N169N169-K171 VanDerWaalsContact C-N 3.28Å; N169-K171 PolarHBondContact O-N 3.22Å
172S48.2Very low58.3Low83 Ų8355.6 Ų55.658%0.5830%0.3SS*.THydrogen-bonded Turntrans-168.850.6173.936.40000113.9Y170Y170-S172 PolarHBondContact O-N 3.21Å
173V52.6Low58.2Low45 Ų4554.5 Ų54.527%0.27329%0.292SS..  trans-100.6127177.5-174.90000110.4Y170 I195Y170-V173 HydrophobicContact CD1-CB 4Å; Y170-V173 HydrophobicContact CD1-CG2 4.22Å; Y170-V173 HydrophobicContact CE1-CB 4.46Å; V173-I195 PolarHBondContact O-N 3.44Å
174F52.6Low58.2Low102 Ų10254.9 Ų54.945%0.44729%0.292SS..EExtended strand (participates in β ladder)trans-90.8114.8161.3-71-78.3000107.2V192 K194F174-V192 HydrophobicContact CB-CG1 4.02Å; F174-V192 HydrophobicContact CD1-CG1 3.43Å; F174-V192 VanDerWaalsContact CD1-CG1 3.43Å; F174-V192 HydrophobicContact CE1-CG1 4.22Å; F174-V192 HydrophobicContact CG-CG1 4.07Å; F174-K194 HydrophobicContact CD1-CB 4.35Å; F174-K194 HydrophobicContact CE1-CB 3.91Å; F174-K194 HydrophobicContact CZ-CB 4.49Å
175S56.6Low57.8Low9 Ų953 Ų536%0.06328%0.283CS..EExtended strand (participates in β ladder)trans-100.3130.8176.1-178.80000109.7V165 F184V165-S175 WeakPolarHBondContact CG1-OG 3.25Å; S175-F184 VanDerWaalsContact CB-CE2 3.5Å
176F54.7Low57.5Low128 Ų12856.2 Ų56.256%0.56130%0.299SS*.EExtended strand (participates in β ladder)trans-90.1128.4170.7-69.7-92.5000108.2V192F176-V192 HydrophobicContact CD1-CG2 3.66Å; F176-V192 HydrophobicContact CE1-CG2 3.31Å; F176-V192 HydrophobicContact CG-CG2 4.47Å; F176-V192 HydrophobicContact CZ-CG2 3.86Å
177S57.9Low57.1Low6 Ų659.2 Ų59.24%0.04232%0.323CS..PPolyproline II helixtrans-73.3143.6175-73.60000111.2E183 F184 L190S177-E183 PolarHBondContact OG-N 3.32Å; S177-E183 VanDerWaalsContact OG-N 3.17Å; S177-F184 PolarHBondContact OG-N 2.81Å; S177-L190 WeakPolarHBondContact O-CD2 3.32Å
178D60.3Low56.6Low84 Ų8458.3 Ų58.345%0.44932%0.321SS..PPolyproline II helixtrans-71.8135.5162.9-172.9-26.4000107.8G180 Q181 S182D178-G180 PolarHBondContact O-N 3.24Å; D178-G180 PolarHBondContact OD1-N 2.76Å; D178-Q181 CarbonylContact O-C 3.51Å; D178-Q181 VanDerWaalsContact O-C 3.25Å; D178-Q181 PolarHBondContact O-N 3.42Å; D178-S182 VanDerWaalsContact O-CA 3.31Å; D178-S182 WeakPolarHBondContact O-CA 3.31Å; D178-S182 PolarHBondContact O-N 3.07Å; D178-S182 VanDerWaalsContact O-N 3.08Å
179T52.9Low56.1Low53 Ų5359.5 Ų59.533%0.32533%0.333SS..SBendtrans-64.7-28.418053.10000111.9G188 L190T179-G188 PolarHBondContact O-N 2.81Å; T179-L190 HydrophobicContact CG2-CD2 3.61Å; T179-L190 HydrophobicContact CG2-CG 4.14Å
180G53.9Low56.2Low63 Ų6357.5 Ų57.565%0.64932%0.322SS*.SBendtrans-81.8-28.2177.100000113.8D178D178-G180 PolarHBondContact O-N 3.24Å; D178-G180 PolarHBondContact OD1-N 2.76Å
181Q62.5Low56.2Low71 Ų7158.3 Ų58.333%0.33233%0.33SS..SBendtrans-144.175-178.5-166.6179.1-11.200110.4D178D178-Q181 CarbonylContact O-C 3.51Å; D178-Q181 VanDerWaalsContact O-C 3.25Å; D178-Q181 PolarHBondContact O-N 3.42Å
182S61.5Low56.7Low10 Ų1053.1 Ų53.17%0.0731%0.314CS..  trans-69.8140.6-176.654.10000112.4D178 C185 L186 P203D178-S182 VanDerWaalsContact O-CA 3.31Å; D178-S182 WeakPolarHBondContact O-CA 3.31Å; D178-S182 PolarHBondContact O-N 3.07Å; D178-S182 VanDerWaalsContact O-N 3.08Å; S182-C185 WeakPolarHBondContact CB-O 3.26Å; S182-C185 VanDerWaalsContact CB-SG 3.56Å; S182-C185 PolarHBondContact OG-O 3.48Å; S182-L186 PolarHBondContact OG-O 2.92Å; S182-P203 VanDerWaalsContact O-CB 3.25Å; S182-P203 WeakPolarHBondContact O-CB 3.47Å
183E64Low57.4Low10 Ų1053.2 Ų53.25%0.04730%0.304CS..SBendtrans-95.7-24.9179.1-68.2-148.313200113.4S162 R166 S177S162-E183 WeakPolarHBondContact CB-OE1 3.49Å; R166-E183 IonicContact CZ-OE1 3.31Å; R166-E183 VanDerWaalsContact CZ-OE1 3.31Å; R166-E183 IonicContact NE-OE1 2.91Å; R166-E183 PolarHBondContact NE-OE1 3.17Å; R166-E183 IonicContact NH2-OE1 2.83Å; R166-E183 PolarHBondContact NH2-OE1 2.95Å; S177-E183 PolarHBondContact OG-N 3.32Å; S177-E183 VanDerWaalsContact OG-N 3.17Å
184F63Low57.9Low26 Ų2656.5 Ų56.511%0.11432%0.315CS..SBendtrans-131.5-3.7-171-48.5-64.5000115S175 S177 A191 K193 I195 L199S175-F184 VanDerWaalsContact CB-CE2 3.5Å; S177-F184 PolarHBondContact OG-N 2.81Å; F184-A191 HydrophobicContact CB-CB 4.42Å; F184-K193 HydrophobicContact CB-CB 4.23Å; F184-K193 HydrophobicContact CB-CD 3.99Å; F184-K193 HydrophobicContact CD1-CB 4.33Å; F184-K193 HydrophobicContact CD1-CD 3.68Å; F184-K193 HydrophobicContact CD2-CB 4.12Å; F184-K193 HydrophobicContact CE1-CD 4.5Å; F184-K193 HydrophobicContact CG-CB 3.92Å; F184-K193 HydrophobicContact CG-CD 3.9Å; F184-I195 HydrophobicContact CE1-CD1 4.29Å; F184-I195 HydrophobicContact CE1-CG1 4.45Å; F184-I195 HydrophobicContact CE2-CD1 4.49Å; F184-I195 HydrophobicContact CZ-CD1 3.78Å; F184-I195 HydrophobicContact CZ-CG1 4.33Å; F184-L199 HydrophobicContact CE1-CD1 3.47Å; F184-L199 VanDerWaalsContact CE1-CD1 3.47Å; F184-L199 HydrophobicContact CE1-CD2 3.64Å; F184-L199 HydrophobicContact CE1-CG 4.21Å; F184-L199 HydrophobicContact CZ-CD1 3.38Å; F184-L199 HydrophobicContact CZ-CD2 4.35Å; F184-L199 HydrophobicContact CZ-CG 4.48Å
185C58.6Low58.4Low11 Ų1152 Ų527%0.07430%0.295CS..SBendtrans-140.5176.4-178.5560000109.7S182 C189 A191S182-C185 WeakPolarHBondContact CB-O 3.26Å; S182-C185 VanDerWaalsContact CB-SG 3.56Å; S182-C185 PolarHBondContact OG-O 3.48Å; C185-C189 HydrophobicContact CB-CB 3.75Å; C185-C189 PolarHBondContact SG-O 3.4Å; C185-A191 HydrophobicContact CB-CB 3.72Å
186L58Low58.6Low90 Ų9061.6 Ų61.647%0.47133%0.33SS..  trans-65.9153.2172.9-65.6169.2000110.2S182 C189 L207S182-L186 PolarHBondContact OG-O 2.92Å; L186-C189 VanDerWaalsContact O-CB 3.32Å; L186-C189 WeakPolarHBondContact O-CB 3.38Å; L186-C189 PolarHBondContact O-N 2.81Å; L186-C189 VanDerWaalsContact O-N 3.07Å; L186-L207 HydrophobicContact CD2-CD1 4.15Å; L186-L207 HydrophobicContact CD2-CD2 3.93Å; L186-L207 HydrophobicContact CG-CD2 4.23Å
187P58Low59.1Low94 Ų9460.3 Ų60.361%0.6133%0.332SS*.THydrogen-bonded Turntrans-51.2144.7169.1-25.234.6000110.8C189P187-C189 PolarHBondContact O-N 3.2Å
188G51.4Low59.3Low11 Ų1162 Ų6211%0.11334%0.343CS..THydrogen-bonded Turntrans84.7-27-17200000114T179 D258T179-G188 PolarHBondContact O-N 2.81Å; G188-D258 WeakPolarHBondContact O-CA 3.02Å; G188-D258 WeakPolarHBondContact O-CB 3.48Å; G188-D258 PolarHBondContact O-N 2.9Å
189C51.6Low59.5Low52 Ų5258.6 Ų58.635%0.35133%0.325SS..  trans-81.9148.9178.7-57.50000112.3C185 L186 P187C185-C189 HydrophobicContact CB-CB 3.75Å; C185-C189 PolarHBondContact SG-O 3.4Å; L186-C189 VanDerWaalsContact O-CB 3.32Å; L186-C189 WeakPolarHBondContact O-CB 3.38Å; L186-C189 PolarHBondContact O-N 2.81Å; L186-C189 VanDerWaalsContact O-N 3.07Å; P187-C189 PolarHBondContact O-N 3.2Å
190L56.4Low60Low63 Ų6356.9 Ų56.933%0.3331%0.313SS..  trans-99.9135.5158.1-74.5-155.6000109.9S177 T179 L256S177-L190 WeakPolarHBondContact O-CD2 3.32Å; T179-L190 HydrophobicContact CG2-CD2 3.61Å; T179-L190 HydrophobicContact CG2-CG 4.14Å; L190-L256 WeakPolarHBondContact CB-O 3.5Å; L190-L256 HydrophobicContact CD1-CB 3.95Å; L190-L256 WeakPolarHBondContact CD1-O 3.48Å; L190-L256 WeakPolarHBondContact CG-O 3.46Å
191A56.1Low60.5Low26 Ų2654 Ų5422%0.21528%0.283CS..  trans-134142.8172.600000110.4F184 C185F184-A191 HydrophobicContact CB-CB 4.42Å; C185-A191 HydrophobicContact CB-CB 3.72Å
192V59.9Low60.5Low78 Ų7850.9 Ų50.947%0.47327%0.27SS..EExtended strand (participates in β ladder)trans-109.8109.2170.5174.90000107.2F174 F176F174-V192 HydrophobicContact CB-CG1 4.02Å; F174-V192 HydrophobicContact CD1-CG1 3.43Å; F174-V192 VanDerWaalsContact CD1-CG1 3.43Å; F174-V192 HydrophobicContact CE1-CG1 4.22Å; F174-V192 HydrophobicContact CG-CG1 4.07Å; F176-V192 HydrophobicContact CD1-CG2 3.66Å; F176-V192 HydrophobicContact CE1-CG2 3.31Å; F176-V192 HydrophobicContact CG-CG2 4.47Å; F176-V192 HydrophobicContact CZ-CG2 3.86Å
193K62.2Low60.5Low86 Ų8651.4 Ų51.437%0.37427%0.273SS..EExtended strand (participates in β ladder)trans-113.4127.7-179.8-167.9165.4-174.1166.60110.8F184 I195F184-K193 HydrophobicContact CB-CB 4.23Å; F184-K193 HydrophobicContact CB-CD 3.99Å; F184-K193 HydrophobicContact CD1-CB 4.33Å; F184-K193 HydrophobicContact CD1-CD 3.68Å; F184-K193 HydrophobicContact CD2-CB 4.12Å; F184-K193 HydrophobicContact CE1-CD 4.5Å; F184-K193 HydrophobicContact CG-CB 3.92Å; F184-K193 HydrophobicContact CG-CD 3.9Å; K193-I195 PolarHBondContact O-N 2.96Å
194K63.5Low60.4Low114 Ų11454 Ų5450%0.49628%0.284SS..EExtended strand (participates in β ladder)trans-74.5107.7165.7-176.4173.5-176.9172.90108.4F174F174-K194 HydrophobicContact CD1-CB 4.35Å; F174-K194 HydrophobicContact CE1-CB 3.91Å; F174-K194 HydrophobicContact CZ-CB 4.49Å
195I63.2Low59.8Low6 Ų652.9 Ų52.93%0.03128%0.28CS..  trans-81.5123.2179.5-57.2164.8000107.8Y170 V173 F184 K193 V197 L199Y170-I195 HydrophobicContact CD1-CB 3.68Å; Y170-I195 HydrophobicContact CD1-CD1 3.55Å; Y170-I195 HydrophobicContact CD1-CG1 4.22Å; Y170-I195 HydrophobicContact CD1-CG2 3.54Å; Y170-I195 HydrophobicContact CD2-CG2 3.9Å; Y170-I195 HydrophobicContact CE1-CB 4.27Å; Y170-I195 HydrophobicContact CE1-CD1 3.26Å; Y170-I195 HydrophobicContact CE1-CG1 4.35Å; Y170-I195 HydrophobicContact CE1-CG2 4.09Å; Y170-I195 HydrophobicContact CE2-CG2 4.33Å; Y170-I195 HydrophobicContact CG-CB 4.01Å; Y170-I195 HydrophobicContact CG-CG2 3.43Å; Y170-I195 VanDerWaalsContact CG-CG2 3.43Å; V173-I195 PolarHBondContact O-N 3.44Å; F184-I195 HydrophobicContact CE1-CD1 4.29Å; F184-I195 HydrophobicContact CE1-CG1 4.45Å; F184-I195 HydrophobicContact CE2-CD1 4.49Å; F184-I195 HydrophobicContact CZ-CD1 3.78Å; F184-I195 HydrophobicContact CZ-CG1 4.33Å; K193-I195 PolarHBondContact O-N 2.96Å; I195-V197 WeakPolarHBondContact CG2-O 3.31Å; I195-L199 HydrophobicContact CD1-CD1 3.87Å; I195-L199 HydrophobicContact CD1-CD2 4.41Å; I195-L199 HydrophobicContact CD1-CG 4.2Å; I195-L199 HydrophobicContact CG1-CD2 4.4Å; I195-L199 HydrophobicContact CG2-CD2 3.96Å; I195-L199 HydrophobicContact CG2-CG 4.17Å
196R61.5Low59.7Low211 Ų21154.6 Ų54.680%0.79629%0.285SS*.  trans-110.2-17.6176.5-61.7-175.3-174.1-175.50.8112.9
197V64.4Low59.2Low102 Ų10252.4 Ų52.462%0.61827%0.274SS*.SBendtrans-131147.4-175.5-65.70000108.9I195 L199I195-V197 WeakPolarHBondContact CG2-O 3.31Å; V197-L199 PolarHBondContact O-N 2.74Å
198P63.2Low58.5Low41 Ų4152 Ų5227%0.26626%0.262SS..  trans-56.8139.7-179.124-35.4000112F29 I200F29-P198 HydrophobicContact CB-CB 4.4Å; F29-P198 HydrophobicContact CD1-CB 3.5Å; F29-P198 HydrophobicContact CD1-CG 4.34Å; F29-P198 HydrophobicContact CD2-CB 3.41Å; F29-P198 VanDerWaalsContact CD2-CB 3.41Å; F29-P198 HydrophobicContact CD2-CG 4.39Å; F29-P198 HydrophobicContact CE1-CB 3.47Å; F29-P198 VanDerWaalsContact CE1-CB 3.47Å; F29-P198 HydrophobicContact CE2-CB 3.39Å; F29-P198 HydrophobicContact CG-CB 3.47Å; F29-P198 VanDerWaalsContact CG-CB 3.47Å; F29-P198 HydrophobicContact CG-CG 4.19Å; F29-P198 HydrophobicContact CZ-CB 3.42Å; F29-P198 VanDerWaalsContact CZ-CB 3.42Å; P198-I200 HydrophobicContact CB-CD1 4.34Å; P198-I200 HydrophobicContact CB-CG1 4.13Å; P198-I200 HydrophobicContact CG-CD1 3.98Å; P198-I200 HydrophobicContact CG-CG1 4.26Å; P198-I200 PolarHBondContact O-N 3.24Å
199L64.2Low57.6Low13 Ų1355.9 Ų55.97%0.06828%0.284CS..  trans-76.973.8179.6-67.7-169.4000111.9R166 Y170 F184 I195 V197 R206R166-L199 HydrophobicContact CG-CB 4.1Å; R166-L199 HydrophobicContact CG-CD1 4.29Å; Y170-L199 HydrophobicContact CE1-CD1 4.48Å; Y170-L199 HydrophobicContact CE2-CB 4.06Å; Y170-L199 HydrophobicContact CE2-CD1 4.46Å; Y170-L199 HydrophobicContact CE2-CG 3.86Å; Y170-L199 WeakPolarHBondContact OH-CD1 2.99Å; Y170-L199 WeakPolarHBondContact OH-CG 2.86Å; F184-L199 HydrophobicContact CE1-CD1 3.47Å; F184-L199 VanDerWaalsContact CE1-CD1 3.47Å; F184-L199 HydrophobicContact CE1-CD2 3.64Å; F184-L199 HydrophobicContact CE1-CG 4.21Å; F184-L199 HydrophobicContact CZ-CD1 3.38Å; F184-L199 HydrophobicContact CZ-CD2 4.35Å; F184-L199 HydrophobicContact CZ-CG 4.48Å; I195-L199 HydrophobicContact CD1-CD1 3.87Å; I195-L199 HydrophobicContact CD1-CD2 4.41Å; I195-L199 HydrophobicContact CD1-CG 4.2Å; I195-L199 HydrophobicContact CG1-CD2 4.4Å; I195-L199 HydrophobicContact CG2-CD2 3.96Å; I195-L199 HydrophobicContact CG2-CG 4.17Å; V197-L199 PolarHBondContact O-N 2.74Å; L199-R206 PolarHBondContact O-NH2 3.19Å
200I63.9Low56.3Low16 Ų1661.4 Ų61.48%0.08230%0.303CS..  trans-87120.8176.9-55.2170.8000110.2I26 F27 F29 I40 P198 R206I26-I200 HydrophobicContact CG2-CD1 4.47Å; F27-I200 HydrophobicContact CD2-CG1 4.45Å; F27-I200 HydrophobicContact CD2-CG2 3.81Å; F27-I200 HydrophobicContact CE2-CG2 3.69Å; F29-I200 HydrophobicContact CD2-CG1 4.49Å; I40-I200 HydrophobicContact CB-CG2 4.21Å; I40-I200 HydrophobicContact CD1-CG2 4.39Å; I40-I200 HydrophobicContact CG1-CG2 3.86Å; I40-I200 HydrophobicContact CG2-CG2 3.95Å; P198-I200 HydrophobicContact CB-CD1 4.34Å; P198-I200 HydrophobicContact CB-CG1 4.13Å; P198-I200 HydrophobicContact CG-CD1 3.98Å; P198-I200 HydrophobicContact CG-CG1 4.26Å; P198-I200 PolarHBondContact O-N 3.24Å; I200-R206 PolarHBondContact O-NH1 2.84Å; I200-R206 PolarHBondContact O-NH2 3.45Å
201G63Low54.9Low2 Ų266.3 Ų66.32%0.02132%0.324CS..SBendtrans104.9170.5177.300000115.8H41 R206H41-G201 WeakPolarHBondContact O-CA 3.03Å; G201-R206 PolarHBondContact O-NH2 3.07Å
202P62.6Low53.3Low7 Ų773.8 Ų73.85%0.04535%0.352CS..  trans-71.5158.8-177.229.5-35000112.4H41 C43 F94 F204 G205H41-P202 VanDerWaalsContact O-CD 3.23Å; H41-P202 WeakPolarHBondContact O-CD 3.24Å; C43-P202 HydrophobicContact CB-CG 4.24Å; F94-P202 HydrophobicContact CE1-CG 4.39Å; F94-P202 HydrophobicContact CZ-CG 3.91Å; P202-F204 VanDerWaalsContact C-N 3.3Å; P202-F204 HydrophobicContact CB-CD1 3.96Å; P202-F204 HydrophobicContact CB-CD2 4.22Å; P202-F204 HydrophobicContact CB-CE1 3.45Å; P202-F204 VanDerWaalsContact CB-CE1 3.45Å; P202-F204 HydrophobicContact CB-CE2 3.75Å; P202-F204 HydrophobicContact CB-CG 4.32Å; P202-F204 HydrophobicContact CB-CZ 3.33Å; P202-F204 HydrophobicContact CG-CD2 3.89Å; P202-F204 HydrophobicContact CG-CE1 4.05Å; P202-F204 HydrophobicContact CG-CE2 3.33Å; P202-F204 HydrophobicContact CG-CG 4.46Å; P202-F204 HydrophobicContact CG-CZ 3.42Å; P202-F204 VanDerWaalsContact CG-CZ 3.42Å; P202-F204 PolarHBondContact O-N 2.89Å; P202-G205 PolarHBondContact O-N 2.5Å
203P61.8Low51.6Low21 Ų2176.1 Ų76.114%0.13636%0.356CS..G310 helixtrans-52-43.3-179.5-30.637.5000114.8S182 G205 R206S182-P203 VanDerWaalsContact O-CB 3.25Å; S182-P203 WeakPolarHBondContact O-CB 3.47Å; P203-G205 VanDerWaalsContact C-N 3.26Å; P203-G205 PolarHBondContact O-N 3.05Å; P203-R206 PolarHBondContact O-N 3.05Å
204F61.3Low49.8Very low63 Ų6380.2 Ų80.228%0.27637%0.37SS..G310 helixtrans-68.5-23.5-178.147.3-96.4000113.6C43 F94 P202 R206 L207C43-F204 HydrophobicContact CB-CE2 4.34Å; C43-F204 HydrophobicContact CB-CZ 4.12Å; F94-F204 HydrophobicContact CE2-CD2 4.21Å; F94-F204 AromaticContact CE2-CE2 3.65Å; F94-F204 HydrophobicContact CE2-CE2 3.65Å; F94-F204 HydrophobicContact CZ-CD2 4.27Å; F94-F204 AromaticContact CZ-CE2 3.6Å; F94-F204 HydrophobicContact CZ-CE2 3.6Å; P202-F204 VanDerWaalsContact C-N 3.3Å; P202-F204 HydrophobicContact CB-CD1 3.96Å; P202-F204 HydrophobicContact CB-CD2 4.22Å; P202-F204 HydrophobicContact CB-CE1 3.45Å; P202-F204 VanDerWaalsContact CB-CE1 3.45Å; P202-F204 HydrophobicContact CB-CE2 3.75Å; P202-F204 HydrophobicContact CB-CG 4.32Å; P202-F204 HydrophobicContact CB-CZ 3.33Å; P202-F204 HydrophobicContact CG-CD2 3.89Å; P202-F204 HydrophobicContact CG-CE1 4.05Å; P202-F204 HydrophobicContact CG-CE2 3.33Å; P202-F204 HydrophobicContact CG-CG 4.46Å; P202-F204 HydrophobicContact CG-CZ 3.42Å; P202-F204 VanDerWaalsContact CG-CZ 3.42Å; P202-F204 PolarHBondContact O-N 2.89Å; F204-R206 PolarHBondContact O-N 3.44Å; F204-L207 HydrophobicContact CB-CD1 4.44Å
205G52Low47.9Very low4 Ų481.6 Ų81.64%0.04138%0.378CS..G310 helixtrans-66.9-16.5175.900000113.5P202 P203P202-G205 PolarHBondContact O-N 2.5Å; P203-G205 VanDerWaalsContact C-N 3.26Å; P203-G205 PolarHBondContact O-N 3.05Å
206R54.9Low46Very low46 Ų4687.5 Ų87.517%0.17441%0.407CS..G310 helixtrans-107-4.5-176.1-75.8-174.6-108.8-97.5-3.7115.4L199 I200 G201 P203 F204 F208L199-R206 PolarHBondContact O-NH2 3.19Å; I200-R206 PolarHBondContact O-NH1 2.84Å; I200-R206 PolarHBondContact O-NH2 3.45Å; G201-R206 PolarHBondContact O-NH2 3.07Å; P203-R206 PolarHBondContact O-N 3.05Å; F204-R206 PolarHBondContact O-N 3.44Å; R206-F208 PolarHBondContact O-N 3.34Å; R206-F208 VanDerWaalsContact O-N 3.11Å
207L49.1Very low44.2Very low45 Ų4582.8 Ų82.824%0.23640%0.397CS..THydrogen-bonded Turntrans-62.7-17177.6-78.8163.1000112.7L186 F204L186-L207 HydrophobicContact CD2-CD1 4.15Å; L186-L207 HydrophobicContact CD2-CD2 3.93Å; L186-L207 HydrophobicContact CG-CD2 4.23Å; F204-L207 HydrophobicContact CB-CD1 4.44Å
208F42.1Very low42.5Very low84 Ų8486.7 Ų86.737%0.36841%0.406SS..THydrogen-bonded Turntrans-112.1-6.9-167.7-63.3-80.8000115.3P84 R206 F210P84-F208 HydrophobicContact CB-CB 3.29Å; P84-F208 HydrophobicContact CB-CD1 4.49Å; P84-F208 HydrophobicContact CB-CD2 4.11Å; P84-F208 HydrophobicContact CB-CG 3.74Å; P84-F208 HydrophobicContact CG-CB 4.16Å; R206-F208 PolarHBondContact O-N 3.34Å; R206-F208 VanDerWaalsContact O-N 3.11Å; F208-F210 VanDerWaalsContact C-N 3.34Å; F208-F210 PolarHBondContact O-N 2.84Å
209T33.6Very low40.7Very low94 Ų9492.4 Ų92.458%0.57743%0.434SS*.SBendtrans-83.485.2170.8-350000109H211T209-H211 PolarHBondContact O-N 3.27Å; T209-H211 VanDerWaalsContact O-N 3.07Å
210F24.4Very low38.9Very low168 Ų168103.2 Ų103.274%0.73747%0.474SS*.  trans-45.5111172.7-81-94.9000111.4F208F208-F210 VanDerWaalsContact C-N 3.34Å; F208-F210 PolarHBondContact O-N 2.84Å
211H25.8Very low37.3Very low166 Ų166114.2 Ų114.277%0.76951%0.514SS*.SBendtrans-140.490.1152.3-8271.6000105.1T209T209-H211 PolarHBondContact O-N 3.27Å; T209-H211 VanDerWaalsContact O-N 3.07Å
212F22.4Very low36.2Very low182 Ų182118.4 Ų118.480%0.79854%0.543SS*.  trans43.991.8-178.3-82.2-92.7000114.3Y214F212-Y214 PolarHBondContact O-N 2.57Å
213F24.5Very low35.5Very low127 Ų127123 Ų12356%0.55757%0.566SS**  trans-56.1100145-109.2-94.8000106.2Q215F213-Q215 PolarHBondContact O-N 3.44Å
214Y23.9Very low35Very low173 Ų173124 Ų12468%0.67857%0.572SS**  trans-6786.1141.3-80.6-86.9000104.7F212 M216F212-Y214 PolarHBondContact O-N 2.57Å; Y214-M216 VanDerWaalsContact C-N 3.35Å; Y214-M216 PolarHBondContact O-N 3.09Å
215Q23.4Very low34.2Very low143 Ų143122.5 Ų122.567%0.66857%0.569SS**  -45.7121.3127.2-161.1166.547.700103F213 L217F213-Q215 PolarHBondContact O-N 3.44Å; Q215-L217 HydrophobicContact CG-CD1 4.49Å; Q215-L217 PolarHBondContact O-N 3.3Å
216M24.7Very low34.2Very low129 Ų129124.3 Ų124.364%0.63558%0.58SS**SBendtrans-68.757.9175.6-118.3-171.392.500108.8Y214 F218 I223Y214-M216 VanDerWaalsContact C-N 3.35Å; Y214-M216 PolarHBondContact O-N 3.09Å; M216-F218 PolarHBondContact O-N 3.22Å; M216-I223 HydrophobicContact CE-CD1 3.63Å; M216-I223 HydrophobicContact CE-CG1 3.35Å; M216-I223 HydrophobicContact SD-CD1 4.45Å
217L22.9Very low34.2Very low112 Ų112123.9 Ų123.959%0.58658%0.582SS**  trans-63.5113.9141.2-116.181000105.3Q215Q215-L217 HydrophobicContact CG-CD1 4.49Å; Q215-L217 PolarHBondContact O-N 3.3Å
218F29.6Very low34.6Very low184 Ų184130.7 Ų130.781%0.80761%0.605SS**  46.598.8119.4-95.4-107.7000115M216M216-F218 PolarHBondContact O-N 3.22Å
219L25.5Very low35Very low162 Ų162129.1 Ų129.185%0.84860%0.604SS**SBend-172.8109129.5-96.3149.1000110.3
220R26.7Very low36.2Very low240 Ų240128.9 Ų128.991%0.90660%0.602SS**SBendtrans77.595.9177-67.4-171.8170.2-174.4-2117.4
221R29.4Very low37.8Very low246 Ų246123.2 Ų123.293%0.92858%0.579SS**SBendtrans79.375.1164.1-61.3-175.2170.7168.5-2.6115.8
222S40.8Very low39.3Very low91 Ų91123 Ų12364%0.63658%0.581SS**  trans31.6119.4146.7-49.40000119.7T224S222-T224 VanDerWaalsContact O-CG2 3.3Å; S222-T224 WeakPolarHBondContact O-CG2 3.32Å; S222-T224 PolarHBondContact O-N 2.81Å; S222-T224 VanDerWaalsContact O-N 3.15Å
223I46.6Very low41.2Very low103 Ų103122 Ų12253%0.52858%0.584SS.*  trans-56.6117.6153.5-66.7171000106.9M216M216-I223 HydrophobicContact CE-CD1 3.63Å; M216-I223 HydrophobicContact CE-CG1 3.35Å; M216-I223 HydrophobicContact SD-CD1 4.45Å
224T51.2Low43.3Very low42 Ų42117.8 Ų117.826%0.25858%0.577SS.*  trans-90.6-30.1-168.548.60000112.5S222 S241 L243S222-T224 VanDerWaalsContact O-CG2 3.3Å; S222-T224 WeakPolarHBondContact O-CG2 3.32Å; S222-T224 PolarHBondContact O-N 2.81Å; S222-T224 VanDerWaalsContact O-N 3.15Å; T224-S241 VanDerWaalsContact O-CB 3.32Å; T224-S241 WeakPolarHBondContact O-CB 3.47Å; T224-S241 PolarHBondContact O-OG 2.75Å; T224-L243 VanDerWaalsContact CB-CD1 3.43Å; T224-L243 HydrophobicContact CG2-CD1 3.28Å
225S45Very low45.2Very low31 Ų31117.2 Ų117.222%0.21758%0.577CS.*  trans-170.7146.6-176.852.60000112V240S225-V240 CarbonylContact C-O 3.54Å; S225-V240 VanDerWaalsContact CA-O 3.31Å; S225-V240 WeakPolarHBondContact CA-O 3.21Å
226V51.1Low47Very low43 Ų43110.9 Ų110.926%0.26155%0.549SS..EExtended strand (participates in β ladder)trans-100.4131.8171.1-178.50000109.1R228 L239 V240 I261V226-R228 PolarHBondContact O-N 3.18Å; V226-L239 CarbonylContact O-C 3.5Å; V226-L239 WeakPolarHBondContact O-CA 3.48Å; V226-V240 HydrophobicContact CB-CB 4.28Å; V226-V240 HydrophobicContact CB-CG1 4.46Å; V226-V240 PolarHBondContact N-O 3.42Å; V226-V240 PolarHBondContact O-N 2.9Å; V226-I261 HydrophobicContact CG1-CD1 4.13Å
227V56.6Low48.5Very low37 Ų37107.9 Ų107.922%0.22453%0.532CS..EExtended strand (participates in β ladder)trans-73.7113.2172.2-178.80000108.7V230 F237 Y238 L239 I254V227-V230 HydrophobicContact CG1-CG2 4.19Å; V227-F237 HydrophobicContact CG1-CB 4.44Å; V227-F237 HydrophobicContact CG1-CD1 3.96Å; V227-Y238 CarbonylContact C-O 3.6Å; V227-Y238 WeakPolarHBondContact CA-O 3.48Å; V227-L239 HydrophobicContact CB-CD2 4.31Å; V227-L239 HydrophobicContact CG2-CD2 3.61Å; V227-I254 HydrophobicContact CG2-CG2 3.93Å
228R57.3Low50.2Low188 Ų188106.7 Ų106.771%0.70952%0.521SS*.EExtended strand (participates in β ladder)trans-80.5-41.2177.1-177.5-174.5177.5-169.90.1112.4V226 Y238 V240V226-R228 PolarHBondContact O-N 3.18Å; R228-Y238 PolarHBondContact N-O 3.4Å; R228-V240 HydrophobicContact CB-CG2 3.83Å; R228-V240 HydrophobicContact CG-CG2 4.3Å
229S50.1Low51.6Low51 Ų5199.3 Ų99.336%0.35749%0.49SS..EExtended strand (participates in β ladder)trans-157.7158.1-179.850.20000111.1Y238S229-Y238 PolarHBondContact O-N 3.11Å; S229-Y238 VanDerWaalsContact OG-CB 3.23Å; S229-Y238 WeakPolarHBondContact OG-CB 3.37Å; S229-Y238 WeakPolarHBondContact OG-CD2 3.35Å; S229-Y238 VanDerWaalsContact OG-CG 3.23Å
230V58Low53.1Low88 Ų8892.6 Ų92.653%0.53346%0.455SS..EExtended strand (participates in β ladder)trans-116.3123.7175.1-172.80000107.5V227 M232 F237V227-V230 HydrophobicContact CG1-CG2 4.19Å; V230-M232 HydrophobicContact CG1-CG 4.45Å; V230-F237 HydrophobicContact CB-CD1 4.45Å; V230-F237 HydrophobicContact CG1-CD1 4.16Å; V230-F237 HydrophobicContact CG1-CE1 3.96Å; V230-F237 HydrophobicContact CG2-CD1 3.82Å; V230-F237 HydrophobicContact CG2-CE1 3.89Å
231D57.6Low54.6Low49 Ų4982.1 Ų82.126%0.26242%0.419SS..EExtended strand (participates in β ladder)trans-103.2104.6170.1172.69.8000108.9N233 G234 K235 C236 Y238D231-N233 VanDerWaalsContact C-N 3.32Å; D231-N233 WeakPolarHBondContact OD1-CA 3.46Å; D231-N233 WeakPolarHBondContact OD1-CB 3.37Å; D231-N233 PolarHBondContact OD1-N 3.37Å; D231-G234 VanDerWaalsContact CG-N 3.27Å; D231-G234 PolarHBondContact OD1-N 3.29Å; D231-G234 PolarHBondContact OD2-N 3.33Å; D231-K235 WeakPolarHBondContact O-CA 3.33Å; D231-K235 PolarHBondContact O-N 3Å; D231-C236 PolarHBondContact N-O 2.93Å; D231-C236 PolarHBondContact O-N 3.08Å; D231-Y238 HydrophobicContact CB-CE2 3.71Å
232M57.5Low55.8Low162 Ų16275.3 Ų75.380%0.79841%0.406SS*.THydrogen-bonded Turntrans-70.4-28.6179.8-64.3-170.6-69.400112.4V230V230-M232 HydrophobicContact CG1-CG 4.45Å
233N63.8Low56.9Low160 Ų16073 Ų7386%0.85639%0.387SS*.THydrogen-bonded Turntrans-76-43.2178.8-67.2-22.6000110.4D231 K235D231-N233 VanDerWaalsContact C-N 3.32Å; D231-N233 WeakPolarHBondContact OD1-CA 3.46Å; D231-N233 WeakPolarHBondContact OD1-CB 3.37Å; D231-N233 PolarHBondContact OD1-N 3.37Å; N233-K235 VanDerWaalsContact C-N 3.29Å; N233-K235 PolarHBondContact O-N 2.96Å
234G67.9Low57.8Low40 Ų4070.9 Ų70.941%0.41238%0.381SS..THydrogen-bonded Turntrans-80-4.3176.400000114.9D231 C236D231-G234 VanDerWaalsContact CG-N 3.27Å; D231-G234 PolarHBondContact OD1-N 3.29Å; D231-G234 PolarHBondContact OD2-N 3.33Å; G234-C236 PolarHBondContact O-N 3.27Å
235K64Low58.4Low160 Ų16072.2 Ų72.270%0.69639%0.386SS*.THydrogen-bonded Turntrans48.145.8-174.5-60.4-176.8179.5-178.50112.1D231 N233D231-K235 WeakPolarHBondContact O-CA 3.33Å; D231-K235 PolarHBondContact O-N 3Å; N233-K235 VanDerWaalsContact C-N 3.29Å; N233-K235 PolarHBondContact O-N 2.96Å
236C60.2Low59.6Low10 Ų1075.9 Ų75.97%0.06840%0.403CS..EExtended strand (participates in β ladder)trans-137.1156.1-175.969.90000113.2D231 G234D231-C236 PolarHBondContact N-O 2.93Å; D231-C236 PolarHBondContact O-N 3.08Å; G234-C236 PolarHBondContact O-N 3.27Å
237F57.7Low60Low66 Ų6678.1 Ų78.129%0.28941%0.41SS..EExtended strand (participates in β ladder)trans-107.2132.6172.4-63.9-82.6000108.6V227 V230 L239 I254 L276V227-F237 HydrophobicContact CG1-CB 4.44Å; V227-F237 HydrophobicContact CG1-CD1 3.96Å; V230-F237 HydrophobicContact CB-CD1 4.45Å; V230-F237 HydrophobicContact CG1-CD1 4.16Å; V230-F237 HydrophobicContact CG1-CE1 3.96Å; V230-F237 HydrophobicContact CG2-CD1 3.82Å; V230-F237 HydrophobicContact CG2-CE1 3.89Å; F237-L239 HydrophobicContact CB-CD2 4.26Å; F237-I254 HydrophobicContact CD2-CD1 4.04Å; F237-I254 HydrophobicContact CE2-CD1 3.9Å; F237-I254 HydrophobicContact CZ-CD1 4.32Å; F237-L276 HydrophobicContact CD2-CD1 4.3Å
238Y56.7Low60.2Low87 Ų8777.1 Ų77.134%0.34140%0.404SS..EExtended strand (participates in β ladder)trans-86.6118.2168.4-67.7-93.8000108.2V227 R228 S229 D231 L273V227-Y238 CarbonylContact C-O 3.6Å; V227-Y238 WeakPolarHBondContact CA-O 3.48Å; R228-Y238 PolarHBondContact N-O 3.4Å; S229-Y238 PolarHBondContact O-N 3.11Å; S229-Y238 VanDerWaalsContact OG-CB 3.23Å; S229-Y238 WeakPolarHBondContact OG-CB 3.37Å; S229-Y238 WeakPolarHBondContact OG-CD2 3.35Å; S229-Y238 VanDerWaalsContact OG-CG 3.23Å; D231-Y238 HydrophobicContact CB-CE2 3.71Å; Y238-L273 HydrophobicContact CD1-CD2 4.49Å; Y238-L273 HydrophobicContact CE1-CD2 3.89Å; Y238-L273 HydrophobicContact CE1-CG 4.42Å
239L59.5Low60.4Low30 Ų3074.1 Ų74.116%0.15740%0.398CS..EExtended strand (participates in β ladder)trans-106.2136.8-178.3-61.5-179.3000110.3V226 V227 F237 M248 V274V226-L239 CarbonylContact O-C 3.5Å; V226-L239 WeakPolarHBondContact O-CA 3.48Å; V227-L239 HydrophobicContact CB-CD2 4.31Å; V227-L239 HydrophobicContact CG2-CD2 3.61Å; F237-L239 HydrophobicContact CB-CD2 4.26Å; L239-M248 HydrophobicContact CB-SD 4.16Å; L239-M248 HydrophobicContact CD1-SD 3.89Å; L239-V274 HydrophobicContact CD1-CB 4.45Å; L239-V274 HydrophobicContact CD1-CG2 4.14Å
240V58.4Low60.8Low20 Ų2080.8 Ų80.812%0.12142%0.415CS..EExtended strand (participates in β ladder)trans-103.7105.3168.8157.30000106.2S225 V226 R228S225-V240 CarbonylContact C-O 3.54Å; S225-V240 VanDerWaalsContact CA-O 3.31Å; S225-V240 WeakPolarHBondContact CA-O 3.21Å; V226-V240 HydrophobicContact CB-CB 4.28Å; V226-V240 HydrophobicContact CB-CG1 4.46Å; V226-V240 PolarHBondContact N-O 3.42Å; V226-V240 PolarHBondContact O-N 2.9Å; R228-V240 HydrophobicContact CB-CG2 3.83Å; R228-V240 HydrophobicContact CG-CG2 4.3Å
241S58Low60.5Low21 Ų2178.6 Ų78.615%0.14741%0.406CS..  trans-135.4138.2-169.6-179.80000111.1T224 L243 M248T224-S241 VanDerWaalsContact O-CB 3.32Å; T224-S241 WeakPolarHBondContact O-CB 3.47Å; T224-S241 PolarHBondContact O-OG 2.75Å; S241-L243 WeakPolarHBondContact OG-CA 3.08Å; S241-L243 WeakPolarHBondContact OG-CB 3.38Å; S241-L243 PolarHBondContact OG-N 3.21Å; S241-L243 PolarHBondContact OG-O 3.28Å; S241-M248 WeakPolarHBondContact CB-SD 3.44Å
242P54.6Low60Low102 Ų10284.1 Ų84.166%0.66244%0.436SS*.SBendtrans-79.4-1.8164.134.2-34.5000113
243L62.1Low59.3Low44 Ų4480 Ų8023%0.2342%0.422CS..SBendtrans-98.9156.1-177.7-57.8-173.6000112.2T224 S241 E247 M248T224-L243 VanDerWaalsContact CB-CD1 3.43Å; T224-L243 HydrophobicContact CG2-CD1 3.28Å; S241-L243 WeakPolarHBondContact OG-CA 3.08Å; S241-L243 WeakPolarHBondContact OG-CB 3.38Å; S241-L243 PolarHBondContact OG-N 3.21Å; S241-L243 PolarHBondContact OG-O 3.28Å; L243-E247 HydrophobicContact CB-CB 4.04Å; L243-E247 HydrophobicContact CD1-CB 4.24Å; L243-M248 HydrophobicContact CB-CG 4.34Å
244S67.3Low58.6Low57 Ų5776.3 Ų76.340%0.39940%0.401SS..  trans-68156.4173.165.40000111.8L246 E247 M248S244-L246 PolarHBondContact O-N 3.34Å; S244-E247 WeakPolarHBondContact CB-OE2 3.24Å; S244-E247 PolarHBondContact N-OE2 3.14Å; S244-E247 PolarHBondContact O-N 2.73Å; S244-E247 WeakPolarHBondContact OG-CG 3.38Å; S244-E247 PolarHBondContact OG-N 3.26Å; S244-E247 PolarHBondContact OG-OE2 2.72Å; S244-M248 PolarHBondContact O-N 2.82Å
245L64Low57.3Low70 Ų7080.3 Ų80.337%0.36641%0.412SS..Hα-helixtrans-50.8-41.1174178.164.1000112.5E247 M248 Q249 V274L245-E247 VanDerWaalsContact C-N 3.3Å; L245-E247 PolarHBondContact O-N 3.33Å; L245-M248 HydrophobicContact CB-CE 4.5Å; L245-M248 HydrophobicContact CD1-CE 4.26Å; L245-M248 PolarHBondContact O-N 2.93Å; L245-Q249 HydrophobicContact CD1-CG 4.43Å; L245-Q249 WeakPolarHBondContact O-CG 3.23Å; L245-Q249 PolarHBondContact O-N 3.05Å; L245-V274 HydrophobicContact CD1-CB 4.28Å; L245-V274 HydrophobicContact CD1-CG1 4.27Å; L245-V274 HydrophobicContact CD1-CG2 3.42Å; L245-V274 VanDerWaalsContact CD1-CG2 3.42Å
246L68.8Low56.1Low108 Ų10878 Ų7857%0.56541%0.407SS*.Hα-helixtrans-65.7-33.6-178.2-155.3105.4000112.4S244S244-L246 PolarHBondContact O-N 3.34Å
247E59.7Low55.3Low91 Ų9179.3 Ų79.343%0.42542%0.423SS..Hα-helixtrans-75.9-39.2174.6-70.5169.4116.300111.3L243 S244 L245 Q249 R250L243-E247 HydrophobicContact CB-CB 4.04Å; L243-E247 HydrophobicContact CD1-CB 4.24Å; S244-E247 WeakPolarHBondContact CB-OE2 3.24Å; S244-E247 PolarHBondContact N-OE2 3.14Å; S244-E247 PolarHBondContact O-N 2.73Å; S244-E247 WeakPolarHBondContact OG-CG 3.38Å; S244-E247 PolarHBondContact OG-N 3.26Å; S244-E247 PolarHBondContact OG-OE2 2.72Å; L245-E247 VanDerWaalsContact C-N 3.3Å; L245-E247 PolarHBondContact O-N 3.33Å; E247-Q249 VanDerWaalsContact C-N 3.33Å; E247-Q249 PolarHBondContact O-N 3.32Å; E247-R250 WeakPolarHBondContact O-CB 3.48Å; E247-R250 PolarHBondContact O-N 3.48Å; E247-R250 VanDerWaalsContact O-N 3.16Å
248M60.7Low54.5Low16 Ų1681.4 Ų81.48%0.07944%0.437CS..Hα-helixtrans-63.1-37.7175.3-70-166.6-69.600112.3L239 S241 L243 S244 L245 R250 A251 V274L239-M248 HydrophobicContact CB-SD 4.16Å; L239-M248 HydrophobicContact CD1-SD 3.89Å; S241-M248 WeakPolarHBondContact CB-SD 3.44Å; L243-M248 HydrophobicContact CB-CG 4.34Å; S244-M248 PolarHBondContact O-N 2.82Å; L245-M248 HydrophobicContact CB-CE 4.5Å; L245-M248 HydrophobicContact CD1-CE 4.26Å; L245-M248 PolarHBondContact O-N 2.93Å; M248-R250 PolarHBondContact O-N 3.28Å; M248-R250 VanDerWaalsContact O-N 3.15Å; M248-A251 WeakPolarHBondContact O-CB 3.43Å; M248-A251 PolarHBondContact O-N 2.99Å; M248-V274 HydrophobicContact CE-CG2 3.73Å; M248-V274 HydrophobicContact SD-CG2 4.4Å
249Q62.7Low54Low125 Ų12581.5 Ų81.558%0.58445%0.446SS*.THydrogen-bonded Turntrans-63.9-15.9176.3-77176.8-26.100113.9L245 E247L245-Q249 HydrophobicContact CD1-CG 4.43Å; L245-Q249 WeakPolarHBondContact O-CG 3.23Å; L245-Q249 PolarHBondContact O-N 3.05Å; E247-Q249 VanDerWaalsContact C-N 3.33Å; E247-Q249 PolarHBondContact O-N 3.32Å
250R57.3Low53.1Low190 Ų19088.8 Ų88.872%0.71748%0.479SS*.THydrogen-bonded Turntrans-87.3-10.5173.3-64175.9177.7171.1-0.3112.9E247 M248 N252E247-R250 WeakPolarHBondContact O-CB 3.48Å; E247-R250 PolarHBondContact O-N 3.48Å; E247-R250 VanDerWaalsContact O-N 3.16Å; M248-R250 PolarHBondContact O-N 3.28Å; M248-R250 VanDerWaalsContact O-N 3.15Å; R250-N252 PolarHBondContact O-N 3.49Å
251A52.7Low52.5Low43 Ų4389.6 Ų89.636%0.35548%0.483SS..  trans-70.1123.4177.400000109.6M248M248-A251 WeakPolarHBondContact O-CB 3.43Å; M248-A251 PolarHBondContact O-N 2.99Å
252N47Very low51.6Low164 Ų16492.4 Ų92.488%0.87750%0.5SS*.  trans-102.49.5178.960.8-6.1000112.5R250R250-N252 PolarHBondContact O-N 3.49Å
253C42.3Very low51.1Low75 Ų7596 Ų9651%0.50751%0.506SS..  trans-146.1131.8-176.7-172.60000110.5
254I48.4Very low50.2Low83 Ų83100.3 Ų100.343%0.42653%0.529SS..  trans-104.3117.8166.6-58.1176.5000106.5V227 F237 L276V227-I254 HydrophobicContact CG2-CG2 3.93Å; F237-I254 HydrophobicContact CD2-CD1 4.04Å; F237-I254 HydrophobicContact CE2-CD1 3.9Å; F237-I254 HydrophobicContact CZ-CD1 4.32Å; I254-L276 HydrophobicContact CD1-CD1 3.78Å
255L41.4Very low48.9Very low124 Ų124102.7 Ų102.765%0.64953%0.532SS*.  trans-99.6115.2173.2-69168.4000108.2
256L39.1Very low47.6Very low112 Ų112106.5 Ų106.559%0.58654%0.543SS*.  trans-79.1149.6174.2-167.377.5000108.9L190L190-L256 WeakPolarHBondContact CB-O 3.5Å; L190-L256 HydrophobicContact CD1-CB 3.95Å; L190-L256 WeakPolarHBondContact CD1-O 3.48Å; L190-L256 WeakPolarHBondContact CG-O 3.46Å
257G42.7Very low46.1Very low38 Ų38107.6 Ų107.639%0.39255%0.554SS.*  trans172.8147.6175.600000111.2V259G257-V259 PolarHBondContact O-N 3.4Å
258D42Very low45Very low109 Ų109107.3 Ų107.358%0.58357%0.567SS**  trans-78.4114.1172-170.113.4000109G188G188-D258 WeakPolarHBondContact O-CA 3.02Å; G188-D258 WeakPolarHBondContact O-CB 3.48Å; G188-D258 PolarHBondContact O-N 2.9Å
259V45.6Very low43.6Very low90 Ų90110.4 Ų110.455%0.54558%0.581SS.*  trans-120.8116.5173.1176.20000106.3G257 I261G257-V259 PolarHBondContact O-N 3.4Å; V259-I261 PolarHBondContact O-N 2.91Å
260Q40.9Very low42.3Very low182 Ų182111.4 Ų111.485%0.8560%0.595SS**  trans-67.2102.3166.2-69.8-160.75.300108.7P262Q260-P262 WeakPolarHBondContact O-CD 3.06Å
261I44.5Very low41.2Very low38 Ų38105.7 Ų105.720%0.19560%0.595CS.*  trans-72123.7176-56.6177000108V226 V259 F265 Y266V226-I261 HydrophobicContact CG1-CD1 4.13Å; V259-I261 PolarHBondContact O-N 2.91Å; I261-F265 HydrophobicContact CG2-CB 3.35Å; I261-F265 HydrophobicContact CG2-CG 4.06Å; I261-Y266 HydrophobicContact CB-CE2 3.95Å; I261-Y266 HydrophobicContact CG2-CD2 4.4Å; I261-Y266 HydrophobicContact CG2-CE2 3.93Å; I261-Y266 WeakPolarHBondContact O-CE2 3.47Å
262P40Very low40.4Very low79 Ų79106.9 Ų106.951%0.51360%0.602SS.*  trans-54.1142.3174.5-24.933.9000111.4Q260 D264 F265Q260-P262 WeakPolarHBondContact O-CD 3.06Å; P262-D264 PolarHBondContact O-N 3Å; P262-F265 WeakPolarHBondContact O-CB 3.44Å; P262-F265 PolarHBondContact O-N 2.98Å
263K43.4Very low39.5Very low178 Ų178104.6 Ų104.677%0.77459%0.588SS**G310 helixtrans-52.9-30.8-177-75.8-175178.9178.90113.1F265 Y266K263-F265 VanDerWaalsContact C-N 3.26Å; K263-F265 PolarHBondContact O-N 2.79Å; K263-Y266 PolarHBondContact O-N 3.47Å
264D44.3Very low39Very low134 Ų134101.7 Ų101.772%0.71757%0.568SS**G310 helixtrans-67.2-24.4-178.2-49.6-33.4000113.2P262 Y266P262-D264 PolarHBondContact O-N 3Å; D264-Y266 VanDerWaalsContact C-N 3.31Å; D264-Y266 PolarHBondContact O-N 2.97Å
265F40.2Very low38.1Very low107 Ų107101.1 Ų101.147%0.46957%0.572SS.*G310 helixtrans-72.5-23176.8-107.9-97.5000113.1I261 P262 K263 V267I261-F265 HydrophobicContact CG2-CB 3.35Å; I261-F265 HydrophobicContact CG2-CG 4.06Å; P262-F265 WeakPolarHBondContact O-CB 3.44Å; P262-F265 PolarHBondContact O-N 2.98Å; K263-F265 VanDerWaalsContact C-N 3.26Å; K263-F265 PolarHBondContact O-N 2.79Å; F265-V267 VanDerWaalsContact C-N 3.3Å; F265-V267 PolarHBondContact O-N 3.31Å
266Y35.7Very low37.6Very low151 Ų15199.9 Ų99.959%0.59257%0.565SS**G310 helixtrans-75.3-19.6-179.4-68.3-87.8000113.2I261 K263 D264I261-Y266 HydrophobicContact CB-CE2 3.95Å; I261-Y266 HydrophobicContact CG2-CD2 4.4Å; I261-Y266 HydrophobicContact CG2-CE2 3.93Å; I261-Y266 WeakPolarHBondContact O-CE2 3.47Å; K263-Y266 PolarHBondContact O-N 3.47Å; D264-Y266 VanDerWaalsContact C-N 3.31Å; D264-Y266 PolarHBondContact O-N 2.97Å
267V37.4Very low36.9Very low130 Ų130102.7 Ų102.779%0.78858%0.578SS**G310 helixtrans-90.6-8-169.6-169.50000112.3F265F265-V267 VanDerWaalsContact C-N 3.3Å; F265-V267 PolarHBondContact O-N 3.31Å
268A37Very low36.3Very low85 Ų85108 Ų10870%0.70263%0.632SS**SBendtrans-121.49.9-165.800000116.9
269Q31.7Very low36Very low82 Ų82108 Ų10838%0.38364%0.635SS.*  trans-117.2121.9-170.1-77-169.5-18.500116.6
270V35.2Very low35.5Very low145 Ų145108.9 Ų108.988%0.87964%0.639SS**  trans-87.4109161.8-176.30000107.5
271G33.4Very low35.2Very low70 Ų70104.8 Ų104.872%0.72263%0.628SS**  trans-71.3132.2-173.200000113.6
272S35.4Very low34.6Very low69 Ų69108.8 Ų108.848%0.48365%0.653SS.*  trans-104.8129.9169.6-62.40000110
273L28.4Very low34.3Very low115 Ų115110.6 Ų110.660%0.60266%0.662SS**EExtended strand (participates in β ladder)trans-82.7132.3179.9-91.9139.9000111.4Y238Y238-L273 HydrophobicContact CD1-CD2 4.49Å; Y238-L273 HydrophobicContact CE1-CD2 3.89Å; Y238-L273 HydrophobicContact CE1-CG 4.42Å
274V33.2Very low33.7Very low14 Ų14106.1 Ų106.19%0.08565%0.654CS.*EExtended strand (participates in β ladder)trans-120.9115.1170.4-165.40000109.2L239 L245 M248L239-V274 HydrophobicContact CD1-CB 4.45Å; L239-V274 HydrophobicContact CD1-CG2 4.14Å; L245-V274 HydrophobicContact CD1-CB 4.28Å; L245-V274 HydrophobicContact CD1-CG1 4.27Å; L245-V274 HydrophobicContact CD1-CG2 3.42Å; L245-V274 VanDerWaalsContact CD1-CG2 3.42Å; M248-V274 HydrophobicContact CE-CG2 3.73Å; M248-V274 HydrophobicContact SD-CG2 4.4Å
275S28.4Very low32.9Very low71 Ų71104.1 Ų104.150%0.49765%0.65SS.*  trans-92.7115.6167.2-175.90000108.4M277S275-M277 PolarHBondContact O-N 3.46Å
276L32Very low32.4Very low99 Ų99103.9 Ų103.952%0.51866%0.664SS.*  trans-89.887.5169.2-76.3164.4000107.2F237 I254 G278F237-L276 HydrophobicContact CD2-CD1 4.3Å; I254-L276 HydrophobicContact CD1-CD1 3.78Å; L276-G278 PolarHBondContact O-N 3.21Å
277M24.1Very low32.1Very low171 Ų171100 Ų10084%0.84267%0.67SS**  trans-85.5102.7164-79.3-170.2157.500108.4S275S275-M277 PolarHBondContact O-N 3.46Å
278G28.7Very low31.6Very low149 Ų14997.3 Ų97.3100%1.53666%0.659SS**  trans-139.80163.900000108.3L276L276-G278 PolarHBondContact O-N 3.21Å

Retrieved 278 of 278 residues in 104.6 ms (Link to these results)

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