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Isoform i of cAMP-dependent protein kinase catalytic subunit AlphaSync

Canonical isoform description: Essential for larval development1. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons2. Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells3. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137-9 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 359 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
1M46.5Very low63.5Low204 Ų204104.2 Ų104.2100%1.00555%0.55SS**  0-45.70-84.8178.4-116.400112.8S3 M4 V5M1-S3 PolarHBondContact O-N 3.36Å; M1-M4 PolarHBondContact O-N 2.97Å; M1-V5 PolarHBondContact O-N 3.36Å
2G47.5Very low65.3Low47 Ų4797.3 Ų97.349%0.48551%0.514SS..Hα-helixtrans-53-53.1177.200000114.5M4 V5 F6G2-M4 VanDerWaalsContact C-N 3.29Å; G2-M4 PolarHBondContact O-N 2.66Å; G2-V5 PolarHBondContact O-N 3.33Å; G2-F6 WeakPolarHBondContact O-CD2 3.23Å; G2-F6 PolarHBondContact O-N 2.67Å
3S56.1Low67Low89 Ų8995.2 Ų95.262%0.62250%0.503SS*.Hα-helixtrans-58.8-35.6-179.255.60000114.3M1 F6 I7M1-S3 PolarHBondContact O-N 3.36Å; S3-F6 PolarHBondContact O-N 3.3Å; S3-I7 WeakPolarHBondContact O-CG1 3.42Å; S3-I7 PolarHBondContact O-N 3.35Å; S3-I7 VanDerWaalsContact O-N 3.15Å
4M52.1Low68.7Low92 Ų9298.3 Ų98.345%0.45351%0.51SS..Hα-helixtrans-71.4-38.1-179-173.3176.2-72.100112.1M1 G2 F6 I7 V8 I296M1-M4 PolarHBondContact O-N 2.97Å; G2-M4 VanDerWaalsContact C-N 3.29Å; G2-M4 PolarHBondContact O-N 2.66Å; M4-F6 VanDerWaalsContact C-N 3.31Å; M4-I7 PolarHBondContact O-N 3.21Å; M4-V8 WeakPolarHBondContact O-CG2 3.49Å; M4-V8 PolarHBondContact O-N 3.12Å; M4-I296 HydrophobicContact CE-CD1 3.8Å; M4-I296 HydrophobicContact CE-CG1 4.49Å; M4-I296 HydrophobicContact CG-CD1 4.11Å; M4-I296 HydrophobicContact SD-CD1 4.37Å
5V57.4Low70.2Confident103 Ų10392.4 Ų92.462%0.62448%0.482SS*.Hα-helixtrans-65.6-37.4174.9176.50000110.7M1 G2 K9M1-V5 PolarHBondContact O-N 3.36Å; G2-V5 PolarHBondContact O-N 3.33Å; V5-K9 VanDerWaalsContact O-CB 3.29Å; V5-K9 WeakPolarHBondContact O-CB 3.44Å; V5-K9 PolarHBondContact O-N 2.99Å; V5-K9 VanDerWaalsContact O-N 3.09Å
6F56.7Low71.6Confident137 Ų13793.3 Ų93.360%0.60148%0.477SS*.Hα-helixtrans-62.9-47.2175.2-81.1-75.4000112.2G2 S3 M4 V8 K9 E10G2-F6 WeakPolarHBondContact O-CD2 3.23Å; G2-F6 PolarHBondContact O-N 2.67Å; S3-F6 PolarHBondContact O-N 3.3Å; M4-F6 VanDerWaalsContact C-N 3.31Å; F6-V8 PolarHBondContact O-N 2.96Å; F6-K9 PolarHBondContact O-N 3.2Å; F6-E10 WeakPolarHBondContact O-CG 3.48Å; F6-E10 PolarHBondContact O-N 3.09Å
7I68.9Low73Confident101 Ų10193.1 Ų93.152%0.51847%0.473SS..Hα-helixtrans-62.4-45.2-178.7-66.5164.9000111.9S3 M4 K9 F11S3-I7 WeakPolarHBondContact O-CG1 3.42Å; S3-I7 PolarHBondContact O-N 3.35Å; S3-I7 VanDerWaalsContact O-N 3.15Å; M4-I7 PolarHBondContact O-N 3.21Å; I7-K9 VanDerWaalsContact C-N 3.35Å; I7-F11 WeakPolarHBondContact O-CB 3.14Å; I7-F11 PolarHBondContact O-N 3.41Å
8V72.5Confident74.2Confident46 Ų4691.7 Ų91.728%0.27947%0.467SS..Hα-helixtrans-66.7-39.8179.6176.20000110.7M4 F6 F11 L12M4-V8 WeakPolarHBondContact O-CG2 3.49Å; M4-V8 PolarHBondContact O-N 3.12Å; F6-V8 PolarHBondContact O-N 2.96Å; V8-F11 PolarHBondContact O-N 3.29Å; V8-L12 HydrophobicContact CG1-CD1 3.98Å; V8-L12 HydrophobicContact CG1-CG 4.31Å; V8-L12 VanDerWaalsContact O-CG 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.42Å; V8-L12 PolarHBondContact O-N 3.19Å
9K74.9Confident75.3Confident127 Ų12787.1 Ų87.155%0.55244%0.444SS*.Hα-helixtrans-64.1-48178.6-174-178.4176.1-1710111.8V5 F6 I7 F11 L12 D13V5-K9 VanDerWaalsContact O-CB 3.29Å; V5-K9 WeakPolarHBondContact O-CB 3.44Å; V5-K9 PolarHBondContact O-N 2.99Å; V5-K9 VanDerWaalsContact O-N 3.09Å; F6-K9 PolarHBondContact O-N 3.2Å; I7-K9 VanDerWaalsContact C-N 3.35Å; K9-F11 VanDerWaalsContact C-N 3.3Å; K9-F11 PolarHBondContact O-N 3.46Å; K9-L12 PolarHBondContact O-N 3.3Å; K9-D13 WeakPolarHBondContact O-CB 3.43Å; K9-D13 VanDerWaalsContact O-CG 3.3Å; K9-D13 PolarHBondContact O-N 3.02Å
10E80.8Confident76.3Confident132 Ų13287 Ų8762%0.61744%0.44SS*.Hα-helixtrans-60.2-41.3176.8-74.1176.3-179.800111.9F6 D13 K14F6-E10 WeakPolarHBondContact O-CG 3.48Å; F6-E10 PolarHBondContact O-N 3.09Å; E10-D13 PolarHBondContact O-N 3.3Å; E10-K14 PolarHBondContact O-N 3.06Å
11F84.6Confident77.3Confident68 Ų6887.2 Ų87.230%0.29844%0.439SS..Hα-helixtrans-60.3-49174.5174.2-95.6000111.9I7 V8 K9 D13 K14 A15 F93 Y299I7-F11 WeakPolarHBondContact O-CB 3.14Å; I7-F11 PolarHBondContact O-N 3.41Å; V8-F11 PolarHBondContact O-N 3.29Å; K9-F11 VanDerWaalsContact C-N 3.3Å; K9-F11 PolarHBondContact O-N 3.46Å; F11-D13 VanDerWaalsContact C-N 3.33Å; F11-D13 PolarHBondContact O-N 3.27Å; F11-K14 PolarHBondContact O-N 2.94Å; F11-A15 WeakPolarHBondContact O-CB 3.41Å; F11-A15 PolarHBondContact O-N 3.33Å; F11-F93 HydrophobicContact CE1-CD2 4.32Å; F11-F93 AromaticContact CE1-CE2 3.89Å; F11-F93 HydrophobicContact CE1-CE2 3.89Å; F11-F93 HydrophobicContact CZ-CD2 4.35Å; F11-F93 HydrophobicContact CZ-CE2 4.24Å; F11-Y299 HydrophobicContact CE1-CE2 4.2Å; F11-Y299 AromaticContact CE2-CZ 3.87Å; F11-Y299 WeakPolarHBondContact CE2-OH 3.47Å; F11-Y299 AromaticContact CZ-CE2 3.96Å; F11-Y299 HydrophobicContact CZ-CE2 3.96Å; F11-Y299 AromaticContact CZ-CZ 3.73Å; F11-Y299 WeakPolarHBondContact CZ-OH 3.24Å
12L85.6Confident79.6Confident22 Ų2282 Ų8212%0.11541%0.408CS..Hα-helixtrans-65.6-35.7179.2-69.3176000112.2V8 K9 A15 R16 E148V8-L12 HydrophobicContact CG1-CD1 3.98Å; V8-L12 HydrophobicContact CG1-CG 4.31Å; V8-L12 VanDerWaalsContact O-CG 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.42Å; V8-L12 PolarHBondContact O-N 3.19Å; K9-L12 PolarHBondContact O-N 3.3Å; L12-A15 PolarHBondContact O-N 3.05Å; L12-R16 WeakPolarHBondContact O-CB 3.32Å; L12-R16 VanDerWaalsContact O-CG 3.27Å; L12-R16 WeakPolarHBondContact O-CG 3.34Å; L12-R16 PolarHBondContact O-N 2.95Å; L12-E148 HydrophobicContact CD1-CG 4.32Å
13D87.9Confident81.9Confident69 Ų6981.1 Ų81.137%0.36939%0.391SS..Hα-helixtrans-68.5-42.1177.7-72.5-22000111.4K9 E10 F11 R16 E17K9-D13 WeakPolarHBondContact O-CB 3.43Å; K9-D13 VanDerWaalsContact O-CG 3.3Å; K9-D13 PolarHBondContact O-N 3.02Å; E10-D13 PolarHBondContact O-N 3.3Å; F11-D13 VanDerWaalsContact C-N 3.33Å; F11-D13 PolarHBondContact O-N 3.27Å; D13-R16 PolarHBondContact O-N 3.26Å; D13-R16 IonicContact OD1-CZ 3.08Å; D13-R16 IonicContact OD1-NH1 2.95Å; D13-R16 PolarHBondContact OD1-NH1 3.1Å; D13-E17 PolarHBondContact O-N 3.39Å
14K90.9Very high83.8Confident139 Ų13981.9 Ų81.960%0.60438%0.384SS*.Hα-helixtrans-61.4-46.7171-177.7178.1177.5-178.20111.5E10 F11 R16 E17 D18E10-K14 PolarHBondContact O-N 3.06Å; F11-K14 PolarHBondContact O-N 2.94Å; K14-R16 VanDerWaalsContact C-N 3.26Å; K14-R16 PolarHBondContact O-N 3.12Å; K14-E17 PolarHBondContact O-N 3.15Å; K14-E17 VanDerWaalsContact O-N 3.1Å; K14-D18 PolarHBondContact O-N 3.23Å
15A91.1Very high85.8Confident10 Ų1082.7 Ų82.78%0.08339%0.39CS..Hα-helixtrans-65.8-29.5-177.600000112.7F11 L12 F19 Y149F11-A15 WeakPolarHBondContact O-CB 3.41Å; F11-A15 PolarHBondContact O-N 3.33Å; L12-A15 PolarHBondContact O-N 3.05Å; A15-F19 WeakPolarHBondContact O-CB 3.36Å; A15-F19 PolarHBondContact O-N 2.85Å; A15-Y149 HydrophobicContact CB-CD2 4.39Å; A15-Y149 HydrophobicContact CB-CE2 3.84Å
16R92.6Very high87.5Confident107 Ų10779.9 Ų79.940%0.40438%0.375SS..Hα-helixtrans-65-43.2170.1-80.2168177.9158.80.1112.8L12 D13 K14 K20 S152 L153L12-R16 WeakPolarHBondContact O-CB 3.32Å; L12-R16 VanDerWaalsContact O-CG 3.27Å; L12-R16 WeakPolarHBondContact O-CG 3.34Å; L12-R16 PolarHBondContact O-N 2.95Å; D13-R16 PolarHBondContact O-N 3.26Å; D13-R16 IonicContact OD1-CZ 3.08Å; D13-R16 IonicContact OD1-NH1 2.95Å; D13-R16 PolarHBondContact OD1-NH1 3.1Å; K14-R16 VanDerWaalsContact C-N 3.26Å; K14-R16 PolarHBondContact O-N 3.12Å; R16-K20 VanDerWaalsContact O-CB 3.31Å; R16-K20 WeakPolarHBondContact O-CB 3.37Å; R16-K20 PolarHBondContact O-N 3.36Å; R16-S152 PolarHBondContact NE-O 3.23Å; R16-L153 HydrophobicContact CB-CD2 4.24Å; R16-L153 HydrophobicContact CG-CD2 3.72Å
17E94.2Very high89.3Confident89 Ų8975.9 Ų75.942%0.41637%0.367SS..Hα-helixtrans-67.1-47.4178.5-174.355.7-148.100110.5D13 K14 F19 K20 Q21D13-E17 PolarHBondContact O-N 3.39Å; K14-E17 PolarHBondContact O-N 3.15Å; K14-E17 VanDerWaalsContact O-N 3.1Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 2.77Å; E17-K20 WeakPolarHBondContact O-CB 3.32Å; E17-K20 PolarHBondContact O-N 3.07Å; E17-K20 VanDerWaalsContact O-N 3.08Å; E17-Q21 WeakPolarHBondContact O-CG 3.41Å; E17-Q21 PolarHBondContact O-N 2.9Å; E17-Q21 PolarHBondContact OE1-NE2 2.77Å
18D94.8Very high90.4Very high69 Ų6975.4 Ų75.437%0.36936%0.362SS..Hα-helixtrans-58.1-45176-68.5-21000111.2K14 K20 Q21 R22K14-D18 PolarHBondContact O-N 3.23Å; D18-K20 PolarHBondContact O-N 3.48Å; D18-Q21 PolarHBondContact O-N 3.39Å; D18-R22 WeakPolarHBondContact O-CG 3.45Å; D18-R22 PolarHBondContact O-N 3.39Å; D18-R22 VanDerWaalsContact O-N 3.14Å
19F96.2Very high91.5Very high3 Ų377.2 Ų77.21%0.01337%0.371CS..Hα-helixtrans-60.1-45.1174171.4-97000112A15 E17 Q21 R22 W23 A90 I91 L153 L155A15-F19 WeakPolarHBondContact O-CB 3.36Å; A15-F19 PolarHBondContact O-N 2.85Å; E17-F19 VanDerWaalsContact C-N 3.32Å; E17-F19 PolarHBondContact O-N 2.77Å; F19-Q21 PolarHBondContact O-N 3.49Å; F19-R22 PolarHBondContact O-N 2.81Å; F19-W23 HydrophobicContact CE1-CB 4.22Å; F19-W23 HydrophobicContact CE1-CD2 4.39Å; F19-W23 HydrophobicContact CE1-CE3 4.38Å; F19-W23 HydrophobicContact CE1-CG 4.33Å; F19-W23 AromaticContact CE2-CE3 3.97Å; F19-W23 HydrophobicContact CE2-CE3 3.97Å; F19-W23 HydrophobicContact CZ-CB 4.31Å; F19-W23 AromaticContact CZ-CD2 3.97Å; F19-W23 HydrophobicContact CZ-CD2 3.97Å; F19-W23 AromaticContact CZ-CE3 3.54Å; F19-W23 HydrophobicContact CZ-CE3 3.54Å; F19-W23 HydrophobicContact CZ-CG 4.31Å; F19-W23 HydrophobicContact CZ-CZ3 4.21Å; F19-W23 WeakPolarHBondContact O-CB 3.35Å; F19-W23 PolarHBondContact O-N 3.11Å; F19-A90 HydrophobicContact CD2-CB 3.6Å; F19-A90 WeakPolarHBondContact CD2-O 3.49Å; F19-A90 HydrophobicContact CE2-CB 3.55Å; F19-A90 HydrophobicContact CZ-CB 4.5Å; F19-I91 HydrophobicContact CD2-CG2 4.18Å; F19-I91 HydrophobicContact CE2-CG2 4.09Å; F19-L153 HydrophobicContact CB-CD1 4.06Å; F19-L153 HydrophobicContact CB-CD2 3.67Å; F19-L153 HydrophobicContact CB-CG 4.45Å; F19-L153 HydrophobicContact CD1-CB 4.13Å; F19-L153 HydrophobicContact CD1-CD1 4.34Å; F19-L153 HydrophobicContact CD1-CD2 3.87Å; F19-L153 HydrophobicContact CD1-CG 4.33Å; F19-L153 HydrophobicContact CD2-CD1 3.61Å; F19-L153 HydrophobicContact CD2-CD2 4.49Å; F19-L153 HydrophobicContact CD2-CG 4.44Å; F19-L153 HydrophobicContact CE1-CB 4.12Å; F19-L153 HydrophobicContact CE2-CD1 4.13Å; F19-L153 HydrophobicContact CG-CB 4.36Å; F19-L153 HydrophobicContact CG-CD1 3.74Å; F19-L153 HydrophobicContact CG-CD2 3.76Å; F19-L153 HydrophobicContact CG-CG 4.16Å; F19-L153 HydrophobicContact CZ-CB 4.36Å; F19-L155 HydrophobicContact CE2-CD1 3.83Å; F19-L155 HydrophobicContact CZ-CD1 4.06Å; F19-L155 HydrophobicContact CZ-CD2 4.36Å; F19-L155 HydrophobicContact CZ-CG 4.33Å
20K95.2Very high92.5Very high86 Ų8674.2 Ų74.237%0.37436%0.363SS..Hα-helixtrans-61-45.8-179.4-176-173.8172.2-163.60110.9R16 E17 D18 R22 W23 E24R16-K20 VanDerWaalsContact O-CB 3.31Å; R16-K20 WeakPolarHBondContact O-CB 3.37Å; R16-K20 PolarHBondContact O-N 3.36Å; E17-K20 WeakPolarHBondContact O-CB 3.32Å; E17-K20 PolarHBondContact O-N 3.07Å; E17-K20 VanDerWaalsContact O-N 3.08Å; D18-K20 PolarHBondContact O-N 3.48Å; K20-R22 PolarHBondContact O-N 3.38Å; K20-W23 PolarHBondContact O-N 3.41Å; K20-E24 WeakPolarHBondContact CE-OE1 3.44Å; K20-E24 HydrophobicContact CG-CG 4.4Å; K20-E24 WeakPolarHBondContact CG-OE1 3.19Å; K20-E24 WeakPolarHBondContact O-CB 2.9Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.33Å
21Q96Very high93.3Very high91 Ų9168.8 Ų68.843%0.42534%0.341SS..Hα-helixtrans-58.9-47.7177.9-68-62-26.300111.7E17 D18 F19 N25E17-Q21 WeakPolarHBondContact O-CG 3.41Å; E17-Q21 PolarHBondContact O-N 2.9Å; E17-Q21 PolarHBondContact OE1-NE2 2.77Å; D18-Q21 PolarHBondContact O-N 3.39Å; F19-Q21 PolarHBondContact O-N 3.49Å; Q21-N25 WeakPolarHBondContact O-CB 3.49Å; Q21-N25 PolarHBondContact O-N 3.26Å; Q21-N25 PolarHBondContact O-ND2 3.01Å
22R96.3Very high93.9Very high94 Ų9468.2 Ų68.236%0.35534%0.344SS..Hα-helixtrans-69.2-32177.6-62.9178.3-167-176.58.4113D18 F19 K20 N25 A90 D92D18-R22 WeakPolarHBondContact O-CG 3.45Å; D18-R22 PolarHBondContact O-N 3.39Å; D18-R22 VanDerWaalsContact O-N 3.14Å; F19-R22 PolarHBondContact O-N 2.81Å; K20-R22 PolarHBondContact O-N 3.38Å; R22-N25 CarbonylContact O-C 3.44Å; R22-A90 HydrophobicContact CB-CB 4.02Å; R22-D92 IonicContact CZ-OD2 3.65Å; R22-D92 IonicContact NH1-OD2 3.33Å; R22-D92 PolarHBondContact NH1-OD2 2.91Å; R22-D92 IonicContact NH2-OD2 2.99Å; R22-D92 PolarHBondContact NH2-OD2 3.12Å
23W95.7Very high94.4Very high30 Ų3068 Ų6811%0.11434%0.343CS..Hα-helixtrans-72.5-38.5178.9179.8-86.9000113F19 K20 R86 I87 A90 R183F19-W23 HydrophobicContact CE1-CB 4.22Å; F19-W23 HydrophobicContact CE1-CD2 4.39Å; F19-W23 HydrophobicContact CE1-CE3 4.38Å; F19-W23 HydrophobicContact CE1-CG 4.33Å; F19-W23 AromaticContact CE2-CE3 3.97Å; F19-W23 HydrophobicContact CE2-CE3 3.97Å; F19-W23 HydrophobicContact CZ-CB 4.31Å; F19-W23 AromaticContact CZ-CD2 3.97Å; F19-W23 HydrophobicContact CZ-CD2 3.97Å; F19-W23 AromaticContact CZ-CE3 3.54Å; F19-W23 HydrophobicContact CZ-CE3 3.54Å; F19-W23 HydrophobicContact CZ-CG 4.31Å; F19-W23 HydrophobicContact CZ-CZ3 4.21Å; F19-W23 WeakPolarHBondContact O-CB 3.35Å; F19-W23 PolarHBondContact O-N 3.11Å; K20-W23 PolarHBondContact O-N 3.41Å; W23-R86 HydrophobicContact CD2-CG 4.32Å; W23-R86 HydrophobicContact CE3-CG 3.88Å; W23-R86 HydrophobicContact CH2-CG 3.97Å; W23-R86 HydrophobicContact CZ2-CG 4.4Å; W23-R86 HydrophobicContact CZ3-CB 4.24Å; W23-R86 HydrophobicContact CZ3-CG 3.69Å; W23-R86 PolarHBondContact O-NE 2.86Å; W23-R86 PolarHBondContact O-NH2 3.04Å; W23-I87 HydrophobicContact CH2-CG1 4.22Å; W23-I87 HydrophobicContact CZ3-CG1 3.69Å; W23-A90 HydrophobicContact CB-CB 4.3Å; W23-A90 HydrophobicContact CE3-CB 4.23Å; W23-R183 HydrophobicContact CH2-CB 4.23Å; W23-R183 HydrophobicContact CZ2-CB 4.36Å; W23-R183 VanDerWaalsContact NE1-NH1 3.17Å
24E95.2Very high94.8Very high104 Ų10470.4 Ų70.449%0.48636%0.356SS..Hα-helixtrans-79.8-28.9178.5-70.7174.9-179.800111.7K20 P26K20-E24 WeakPolarHBondContact CE-OE1 3.44Å; K20-E24 HydrophobicContact CG-CG 4.4Å; K20-E24 WeakPolarHBondContact CG-OE1 3.19Å; K20-E24 WeakPolarHBondContact O-CB 2.9Å; K20-E24 WeakPolarHBondContact O-CG 3.47Å; K20-E24 PolarHBondContact O-N 3.33Å; E24-P26 VanDerWaalsContact C-CD 3.47Å; E24-P26 VanDerWaalsContact O-CD 3.29Å; E24-P26 WeakPolarHBondContact O-CD 3.4Å
25N94.9Very high95.2Very high109 Ų10966.7 Ų66.758%0.58334%0.343SS*.SBendtrans-121.171.3179.7-54-77.5000111.1Q21 R22 A27Q21-N25 WeakPolarHBondContact O-CB 3.49Å; Q21-N25 PolarHBondContact O-N 3.26Å; Q21-N25 PolarHBondContact O-ND2 3.01Å; R22-N25 CarbonylContact O-C 3.44Å; N25-A27 PolarHBondContact O-N 3.4Å
26P93Very high95.5Very high45 Ų4566.3 Ų66.329%0.29234%0.339SS..  trans-64.7124.8-177.329.4-37.3000111.3E24E24-P26 VanDerWaalsContact C-CD 3.47Å; E24-P26 VanDerWaalsContact O-CD 3.29Å; E24-P26 WeakPolarHBondContact O-CD 3.4Å
27A93.8Very high95.7Very high53 Ų5364.8 Ų64.844%0.43834%0.339SS..  trans-67.5138.4173.200000110.3N25 T30 K85 Q89N25-A27 PolarHBondContact O-N 3.4Å; A27-T30 HydrophobicContact CB-CG2 3.83Å; A27-K85 PolarHBondContact O-NZ 3.19Å; A27-Q89 PolarHBondContact O-OE1 3.21Å
28Q92.3Very high95.8Very high91 Ų9163.5 Ų63.543%0.42533%0.331SS..  trans-128.1146.4-179.2-69.2-179.4-19.200110.1T30 E358Q28-T30 PolarHBondContact O-N 3.35Å; Q28-E358 PolarHBondContact NE2-O 3.34Å
29N94.9Very high95.7Very high84 Ų8463.7 Ų63.745%0.44933%0.331SS..  trans46.255.9175.4-60.6-47.3000113.5A31 S102N29-A31 PolarHBondContact O-N 2.81Å; N29-S102 WeakPolarHBondContact CA-O 3.29Å; N29-S102 PolarHBondContact N-O 2.84Å
30T97.3Very high95.5Very high64 Ų6465.6 Ų65.639%0.39334%0.339SS..  trans-82.8-0-175.654.50000114.1A27 Q28 F101 S102A27-T30 HydrophobicContact CB-CG2 3.83Å; Q28-T30 PolarHBondContact O-N 3.35Å; T30-F101 VanDerWaalsContact OG1-CA 3.32Å; T30-F101 WeakPolarHBondContact OG1-CA 3.3Å; T30-S102 PolarHBondContact N-O 3.28Å; T30-S102 PolarHBondContact OG1-N 3.02Å; T30-S102 PolarHBondContact OG1-O 3.49Å
31A97.8Very high95.3Very high18 Ų1862 Ų6215%0.14932%0.324CS..  trans-160.6-177.6173.200000109.2N29 F36 F101 F103N29-A31 PolarHBondContact O-N 2.81Å; A31-F36 HydrophobicContact CB-CE2 3.78Å; A31-F36 HydrophobicContact CB-CZ 4.07Å; A31-F101 HydrophobicContact CB-CB 3.93Å; A31-F101 HydrophobicContact CB-CD1 3.92Å; A31-F101 HydrophobicContact CB-CG 4.04Å; A31-F103 HydrophobicContact CB-CD1 3.88Å; A31-F103 HydrophobicContact CB-CE1 4.08Å; A31-F103 WeakPolarHBondContact O-CB 3.23Å; A31-F103 VanDerWaalsContact O-CG 3.31Å; A31-F103 WeakPolarHBondContact O-CG 3.19Å
32C97.1Very high95Very high56 Ų5658.6 Ų58.638%0.37831%0.309SS..  trans-132.9169.4167.871.70000110.9D34 D35 F36C32-D34 PolarHBondContact O-N 3.33Å; C32-D35 PolarHBondContact N-OD2 3.47Å; C32-D35 WeakPolarHBondContact O-CB 3.21Å; C32-D35 PolarHBondContact O-N 3.37Å; C32-D35 PolarHBondContact SG-OD2 3.01Å; C32-F36 VanDerWaalsContact O-CD2 3.3Å; C32-F36 WeakPolarHBondContact O-CD2 3.27Å; C32-F36 WeakPolarHBondContact O-CE2 3.33Å
33L96.4Very high94.6Very high18 Ų1855.3 Ų55.39%0.09431%0.305CS..G310 helixtrans-62.4-33.6-176.8-171.463.3000112.5D35 F36 M64 F103 Y110 F344 I346L33-D35 PolarHBondContact O-N 3.43Å; L33-F36 PolarHBondContact O-N 2.94Å; L33-M64 HydrophobicContact CD1-CE 4.22Å; L33-M64 HydrophobicContact CD1-SD 3.87Å; L33-F103 HydrophobicContact CB-CE2 4.01Å; L33-F103 HydrophobicContact CD1-CE2 4.42Å; L33-F103 HydrophobicContact CD1-CZ 4.46Å; L33-F103 VanDerWaalsContact N-CE2 3.32Å; L33-Y110 HydrophobicContact CD1-CD1 4.28Å; L33-Y110 HydrophobicContact CD1-CE1 3.73Å; L33-F344 HydrophobicContact CD1-CZ 4.38Å; L33-F344 HydrophobicContact CD2-CE2 4.31Å; L33-F344 HydrophobicContact CD2-CZ 3.86Å; L33-I346 HydrophobicContact CD2-CD1 3.74Å
34D96.4Very high94.2Very high119 Ų11957.5 Ų57.564%0.63632%0.321SS*.G310 helixtrans-71.8-12.2-178.1-71.2-20.5000113.5C32 F36 K56C32-D34 PolarHBondContact O-N 3.33Å; D34-F36 PolarHBondContact O-N 3.23Å; D34-K56 WeakPolarHBondContact O-CD 3.38Å; D34-K56 WeakPolarHBondContact O-CE 3.3Å; D34-K56 PolarHBondContact O-NZ 3.11Å
35D97.9Very high93.5Very high60 Ų6055.2 Ų55.232%0.32133%0.326SS..G310 helixtrans-73.1-7.7174-61.9-38.9000112.7C32 L33 H55 K56C32-D35 PolarHBondContact N-OD2 3.47Å; C32-D35 WeakPolarHBondContact O-CB 3.21Å; C32-D35 PolarHBondContact O-N 3.37Å; C32-D35 PolarHBondContact SG-OD2 3.01Å; L33-D35 PolarHBondContact O-N 3.43Å; D35-H55 PolarHBondContact O-CD2 2.67Å; D35-K56 WeakPolarHBondContact O-CB 3.17Å; D35-K56 WeakPolarHBondContact O-CG 3.35Å; D35-K56 PolarHBondContact O-N 3.38Å
36F98.1Very high92.8Very high2 Ų253.7 Ų53.71%0.00932%0.324CS..EExtended strand (participates in β ladder)trans-126135.4-172-57.7-87.2000113A31 C32 L33 D34 V53 K54 H55 Y62 M64 F101 F103 V112A31-F36 HydrophobicContact CB-CE2 3.78Å; A31-F36 HydrophobicContact CB-CZ 4.07Å; C32-F36 VanDerWaalsContact O-CD2 3.3Å; C32-F36 WeakPolarHBondContact O-CD2 3.27Å; C32-F36 WeakPolarHBondContact O-CE2 3.33Å; L33-F36 PolarHBondContact O-N 2.94Å; D34-F36 PolarHBondContact O-N 3.23Å; F36-V53 HydrophobicContact CB-CB 4.14Å; F36-V53 HydrophobicContact CB-CG2 4.37Å; F36-V53 HydrophobicContact CD1-CB 4.38Å; F36-V53 HydrophobicContact CD1-CG2 3.73Å; F36-V53 HydrophobicContact CE1-CG2 4.45Å; F36-V53 HydrophobicContact CG-CG2 4.28Å; F36-K54 CarbonylContact C-O 3.45Å; F36-K54 WeakPolarHBondContact CA-O 3.4Å; F36-H55 HydrophobicContact CD1-CB 3.98Å; F36-H55 HydrophobicContact CE1-CB 3.83Å; F36-H55 AromaticContact CE1-CD2 3.65Å; F36-H55 AromaticContact CZ-CD2 3.91Å; F36-Y62 HydrophobicContact CE1-CD2 4.31Å; F36-M64 HydrophobicContact CB-CE 3.95Å; F36-M64 HydrophobicContact CD1-CE 4.23Å; F36-M64 HydrophobicContact CD2-CE 3.52Å; F36-M64 HydrophobicContact CE2-CE 4.07Å; F36-M64 HydrophobicContact CG-CE 3.63Å; F36-F101 HydrophobicContact CE1-CD2 4.08Å; F36-F101 HydrophobicContact CE1-CE2 4.2Å; F36-F101 HydrophobicContact CZ-CB 4.45Å; F36-F101 AromaticContact CZ-CD2 3.68Å; F36-F101 HydrophobicContact CZ-CD2 3.68Å; F36-F101 HydrophobicContact CZ-CE2 4.08Å; F36-F101 HydrophobicContact CZ-CG 4.12Å; F36-F103 HydrophobicContact CD2-CE1 4.37Å; F36-F103 HydrophobicContact CD2-CZ 4.29Å; F36-F103 AromaticContact CE2-CE1 3.73Å; F36-F103 HydrophobicContact CE2-CE1 3.73Å; F36-F103 HydrophobicContact CE2-CZ 4.1Å; F36-V112 HydrophobicContact CE1-CG1 3.95Å; F36-V112 HydrophobicContact CE1-CG2 4.49Å; F36-V112 HydrophobicContact CE2-CG2 4.34Å; F36-V112 HydrophobicContact CZ-CG1 4.2Å; F36-V112 HydrophobicContact CZ-CG2 4.04Å
37D97.2Very high92.3Very high76 Ų7653.9 Ų53.941%0.40632%0.32SS..EExtended strand (participates in β ladder)trans-82.4119.4162.4-63.6-42.5000108.6V53 K54 K56D37-V53 CarbonylContact O-C 3.55Å; D37-V53 WeakPolarHBondContact O-CA 3.25Å; D37-V53 WeakPolarHBondContact O-CB 3.41Å; D37-K54 HydrophobicContact CB-CB 4.41Å; D37-K54 PolarHBondContact N-O 2.77Å; D37-K54 PolarHBondContact O-N 3.02Å; D37-K56 WeakPolarHBondContact OD1-CE 3.43Å; D37-K56 IonicContact OD1-NZ 3.96Å
38R95.2Very high91.9Very high62 Ų6252.3 Ų52.323%0.23431%0.309CS..EExtended strand (participates in β ladder)trans-85.5119.8178.4-62.7179.4-61.8-76.6-4.1109.8M51 V53 T342R38-M51 HydrophobicContact CB-CE 3.86Å; R38-V53 HydrophobicContact CG-CG1 4.23Å; R38-T342 WeakPolarHBondContact CD-O 3.32Å; R38-T342 PolarHBondContact NE-O 3.48Å
39I93.6Very high91.9Very high72 Ų7249.1 Ų49.137%0.36929%0.293SS..EExtended strand (participates in β ladder)trans-101.6-62-168.3-58.5177.2000111.6L52 K54 Y61 T342I39-L52 HydrophobicContact CB-CB 4.47Å; I39-L52 HydrophobicContact CB-CD2 4.39Å; I39-L52 HydrophobicContact CB-CG 4.34Å; I39-L52 WeakPolarHBondContact CB-O 3.49Å; I39-L52 HydrophobicContact CD1-CD2 4.41Å; I39-L52 HydrophobicContact CD1-CG 4.33Å; I39-L52 HydrophobicContact CG2-CD2 4.23Å; I39-L52 PolarHBondContact N-O 3.05Å; I39-K54 HydrophobicContact CD1-CB 3.94Å; I39-Y61 HydrophobicContact CD1-CD1 3.79Å; I39-Y61 HydrophobicContact CD1-CE1 3.42Å; I39-Y61 VanDerWaalsContact CD1-CE1 3.42Å; I39-T342 WeakPolarHBondContact O-CG2 3.31Å
40K91.1Very high91.8Very high44 Ų4447.2 Ų47.219%0.19128%0.284CS..EExtended strand (participates in β ladder)trans-154.7154.9-177.961.9177.2-80.2169.60112.2M51 L52 T331 E337K40-M51 CarbonylContact O-C 3.57Å; K40-M51 VanDerWaalsContact O-CA 3.25Å; K40-M51 WeakPolarHBondContact O-CA 3.43Å; K40-L52 HydrophobicContact CG-CB 3.94Å; K40-L52 HydrophobicContact CG-CD2 4.21Å; K40-L52 PolarHBondContact N-O 3.46Å; K40-L52 PolarHBondContact O-N 2.65Å; K40-T331 HydrophobicContact CD-CG2 3.87Å; K40-T331 WeakPolarHBondContact CD-OG1 3.22Å; K40-T331 VanDerWaalsContact CE-OG1 3.29Å; K40-T331 WeakPolarHBondContact CE-OG1 3.5Å; K40-T331 HydrophobicContact CG-CG2 4.48Å; K40-T331 PolarHBondContact NZ-OG1 3.14Å; K40-E337 IonicContact NZ-OE1 2.78Å; K40-E337 PolarHBondContact NZ-OE1 3.27Å
41T91.9Very high91.7Very high9 Ų944.1 Ų44.16%0.05527%0.265CS..EExtended strand (participates in β ladder)trans-73.9127.9169.3-59.60000109.5T44 R49 V338T41-T44 HydrophobicContact CG2-CG2 4.12Å; T41-R49 HydrophobicContact CG2-CB 4.33Å; T41-V338 HydrophobicContact CG2-CB 4.16Å
42L89.8Confident91.6Very high20 Ų2043.3 Ų43.311%0.10526%0.259CS..EExtended strand (participates in β ladder)trans-90.5-29175.1-65.1175.8000111.8V50 L52 A63 F115 T331 F334L42-V50 HydrophobicContact CB-CG1 4.39Å; L42-V50 HydrophobicContact CD1-CG1 4.22Å; L42-V50 PolarHBondContact N-O 3.27Å; L42-L52 HydrophobicContact CD1-CB 4.13Å; L42-L52 HydrophobicContact CD2-CB 4Å; L42-L52 HydrophobicContact CG-CB 4.02Å; L42-A63 HydrophobicContact CD1-CB 4.12Å; L42-F115 HydrophobicContact CD1-CD2 3.86Å; L42-F115 HydrophobicContact CD1-CE2 3.7Å; L42-F115 HydrophobicContact CD2-CE2 4.02Å; L42-T331 HydrophobicContact CD2-CG2 3.39Å; L42-F334 HydrophobicContact CB-CD1 4.08Å; L42-F334 HydrophobicContact CB-CE1 4.3Å; L42-F334 HydrophobicContact CD1-CE1 4.39Å; L42-F334 HydrophobicContact CD2-CD1 4.18Å; L42-F334 HydrophobicContact CD2-CD2 4.26Å; L42-F334 HydrophobicContact CD2-CE1 4.36Å; L42-F334 HydrophobicContact CD2-CE2 4.44Å; L42-F334 HydrophobicContact CD2-CG 4.12Å; L42-F334 HydrophobicContact CD2-CZ 4.48Å
43G87.2Confident91.6Very high26 Ų2640.7 Ų40.727%0.26824%0.241SC..EExtended strand (participates in β ladder)trans-179.2163.3178.700000111.8R49 V50G43-R49 WeakPolarHBondContact O-CA 3.44Å; G43-V50 PolarHBondContact N-O 3.01Å; G43-V50 PolarHBondContact O-N 3.14Å
44T86.9Confident91.7Very high76 Ų7643.2 Ų43.247%0.46625%0.251SS..EExtended strand (participates in β ladder)trans-121.5140.2178.653.10000110.2T41 R49 V338T41-T44 HydrophobicContact CG2-CG2 4.12Å; T44-R49 HydrophobicContact CG2-CB 4.04Å; T44-V338 HydrophobicContact CG2-CB 4.36Å; T44-V338 HydrophobicContact CG2-CG1 3.91Å; T44-V338 HydrophobicContact CG2-CG2 4.21Å
45G80.6Confident91.7Very high56 Ų5638.3 Ų38.358%0.57722%0.224SC*.  trans-119.5-176.3174.300000111.8F47 G48G45-F47 VanDerWaalsContact C-N 3.26Å; G45-F47 PolarHBondContact O-N 2.98Å; G45-G48 PolarHBondContact N-O 3.44Å; G45-G48 VanDerWaalsContact O-O 3.12Å
46S79.9Confident91.7Very high77 Ų7740.7 Ų40.754%0.53823%0.232SC..SBendtrans-62.1-29.3-179.245.70000114.4
47F82.8Confident91.7Very high49 Ų4949.1 Ų49.122%0.21527%0.271CS..SBendtrans-108.3-7.4-173.7-41.3-65.3000113.7G45 L67 D68 V72 L75 Q77G45-F47 VanDerWaalsContact C-N 3.26Å; G45-F47 PolarHBondContact O-N 2.98Å; F47-L67 HydrophobicContact CB-CD2 3.95Å; F47-D68 PolarHBondContact O-N 2.86Å; F47-V72 HydrophobicContact CB-CG2 4.13Å; F47-L75 HydrophobicContact CD1-CB 4.06Å; F47-L75 HydrophobicContact CD1-CD1 3.49Å; F47-L75 VanDerWaalsContact CD1-CD1 3.49Å; F47-L75 HydrophobicContact CD1-CG 4.35Å; F47-L75 HydrophobicContact CE1-CB 3.55Å; F47-L75 HydrophobicContact CE1-CD1 3.35Å; F47-L75 HydrophobicContact CE1-CG 4.05Å; F47-Q77 HydrophobicContact CD1-CG 4.27Å; F47-Q77 HydrophobicContact CE1-CB 4.3Å; F47-Q77 HydrophobicContact CE1-CG 3.46Å; F47-Q77 VanDerWaalsContact CE1-CG 3.46Å; F47-Q77 HydrophobicContact CE2-CG 4.11Å; F47-Q77 HydrophobicContact CZ-CB 4.36Å; F47-Q77 HydrophobicContact CZ-CG 3.4Å
48G85.2Confident91.7Very high20 Ų2048.2 Ų48.221%0.20627%0.271CS..EExtended strand (participates in β ladder)trans165.4-147.3-171.100000112.5G45 I66G45-G48 PolarHBondContact N-O 3.44Å; G45-G48 VanDerWaalsContact O-O 3.12Å; G48-I66 CarbonylContact C-O 3.56Å; G48-I66 VanDerWaalsContact CA-O 3.28Å; G48-I66 WeakPolarHBondContact CA-O 3.49Å
49R92.3Very high91.8Very high23 Ų2346.6 Ų46.69%0.08727%0.273CS..EExtended strand (participates in β ladder)trans-147.3160.1-171.968.2-171.8-174.4179.18.8112.2T41 G43 T44 M51 I66 E340 P341 T342T41-R49 HydrophobicContact CG2-CB 4.33Å; G43-R49 WeakPolarHBondContact O-CA 3.44Å; T44-R49 HydrophobicContact CG2-CB 4.04Å; R49-M51 HydrophobicContact CG-CG 4.21Å; R49-M51 PolarHBondContact NE-SD 3.37Å; R49-M51 PolarHBondContact NH2-SD 3.41Å; R49-M51 VanDerWaalsContact NH2-SD 3.4Å; R49-I66 HydrophobicContact CG-CB 4.44Å; R49-I66 HydrophobicContact CG-CD1 4.45Å; R49-I66 PolarHBondContact N-O 3.39Å; R49-I66 PolarHBondContact O-N 3.15Å; R49-E340 WeakPolarHBondContact CD-OE2 3.44Å; R49-E340 IonicContact CZ-OE2 2.82Å; R49-E340 IonicContact NE-OE2 2.7Å; R49-E340 IonicContact NH1-OE2 3.21Å; R49-E340 PolarHBondContact NH1-OE2 2.77Å; R49-P341 VanDerWaalsContact CZ-O 3.27Å; R49-P341 PolarHBondContact NH1-O 2.99Å; R49-P341 PolarHBondContact NH2-O 3.33Å; R49-T342 PolarHBondContact NH2-O 3.03Å
50V93.4Very high91.9Very high44 Ų4447.2 Ų47.227%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-109.8127.6173.1-175.50000107.9L42 G43 A63 M64 K65L42-V50 HydrophobicContact CB-CG1 4.39Å; L42-V50 HydrophobicContact CD1-CG1 4.22Å; L42-V50 PolarHBondContact N-O 3.27Å; G43-V50 PolarHBondContact N-O 3.01Å; G43-V50 PolarHBondContact O-N 3.14Å; V50-A63 HydrophobicContact CG1-CB 3.93Å; V50-M64 CarbonylContact C-O 3.53Å; V50-M64 WeakPolarHBondContact CA-O 3.23Å; V50-K65 HydrophobicContact CG2-CB 4.27Å; V50-K65 HydrophobicContact CG2-CG 4.25Å
51M94.3Very high92.2Very high0 Ų048.1 Ų48.10%028%0.28CS..EExtended strand (participates in β ladder)trans-117141.1179.4-64-174.373.300111.2R38 K40 R49 V53 A63 M64 I66 T342R38-M51 HydrophobicContact CB-CE 3.86Å; K40-M51 CarbonylContact O-C 3.57Å; K40-M51 VanDerWaalsContact O-CA 3.25Å; K40-M51 WeakPolarHBondContact O-CA 3.43Å; R49-M51 HydrophobicContact CG-CG 4.21Å; R49-M51 PolarHBondContact NE-SD 3.37Å; R49-M51 PolarHBondContact NH2-SD 3.41Å; R49-M51 VanDerWaalsContact NH2-SD 3.4Å; M51-V53 HydrophobicContact CB-CG1 4.22Å; M51-V53 PolarHBondContact O-N 3.47Å; M51-A63 CarbonylContact O-C 3.56Å; M51-A63 WeakPolarHBondContact O-CA 3.49Å; M51-M64 PolarHBondContact N-O 3.39Å; M51-M64 PolarHBondContact O-N 3.46Å; M51-I66 HydrophobicContact CB-CD1 4.5Å; M51-I66 HydrophobicContact CG-CD1 3.89Å; M51-I66 HydrophobicContact SD-CD1 3.43Å; M51-I66 WeakPolarHBondContact SD-CD1 3.28Å; M51-T342 HydrophobicContact CE-CG2 3.87Å
52L95.5Very high92.5Very high1 Ų148.9 Ų48.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-70.3126.3161.2-179.165.3000108I39 K40 L42 Y61 Y62 F115 A329 T331I39-L52 HydrophobicContact CB-CB 4.47Å; I39-L52 HydrophobicContact CB-CD2 4.39Å; I39-L52 HydrophobicContact CB-CG 4.34Å; I39-L52 WeakPolarHBondContact CB-O 3.49Å; I39-L52 HydrophobicContact CD1-CD2 4.41Å; I39-L52 HydrophobicContact CD1-CG 4.33Å; I39-L52 HydrophobicContact CG2-CD2 4.23Å; I39-L52 PolarHBondContact N-O 3.05Å; K40-L52 HydrophobicContact CG-CB 3.94Å; K40-L52 HydrophobicContact CG-CD2 4.21Å; K40-L52 PolarHBondContact N-O 3.46Å; K40-L52 PolarHBondContact O-N 2.65Å; L42-L52 HydrophobicContact CD1-CB 4.13Å; L42-L52 HydrophobicContact CD2-CB 4Å; L42-L52 HydrophobicContact CG-CB 4.02Å; L52-Y61 HydrophobicContact CD1-CD1 4.13Å; L52-Y61 HydrophobicContact CD2-CD1 4.49Å; L52-Y61 HydrophobicContact CG-CD1 4.35Å; L52-Y62 WeakPolarHBondContact CA-O 3.3Å; L52-F115 HydrophobicContact CD1-CB 4.4Å; L52-F115 HydrophobicContact CD1-CD1 3.79Å; L52-F115 HydrophobicContact CD1-CD2 3.84Å; L52-F115 HydrophobicContact CD1-CE1 3.95Å; L52-F115 HydrophobicContact CD1-CE2 4.01Å; L52-F115 HydrophobicContact CD1-CG 3.73Å; L52-F115 HydrophobicContact CD1-CZ 4.07Å; L52-A329 HydrophobicContact CD2-CB 4.18Å; L52-T331 HydrophobicContact CD2-CG2 3.86Å
53V97.4Very high92.8Very high0 Ų048.5 Ų48.50%028%0.281CS..EExtended strand (participates in β ladder)trans-130.5156.3176.6-55.30000110.2F36 D37 R38 M51 Y61 Y62 M64F36-V53 HydrophobicContact CB-CB 4.14Å; F36-V53 HydrophobicContact CB-CG2 4.37Å; F36-V53 HydrophobicContact CD1-CB 4.38Å; F36-V53 HydrophobicContact CD1-CG2 3.73Å; F36-V53 HydrophobicContact CE1-CG2 4.45Å; F36-V53 HydrophobicContact CG-CG2 4.28Å; D37-V53 CarbonylContact O-C 3.55Å; D37-V53 WeakPolarHBondContact O-CA 3.25Å; D37-V53 WeakPolarHBondContact O-CB 3.41Å; R38-V53 HydrophobicContact CG-CG1 4.23Å; M51-V53 HydrophobicContact CB-CG1 4.22Å; M51-V53 PolarHBondContact O-N 3.47Å; V53-Y61 CarbonylContact O-C 3.58Å; V53-Y61 VanDerWaalsContact O-CA 3.29Å; V53-Y61 WeakPolarHBondContact O-CA 3.2Å; V53-Y62 PolarHBondContact N-O 2.91Å; V53-Y62 PolarHBondContact O-N 2.83Å; V53-M64 HydrophobicContact CG1-CB 3.68Å; V53-M64 HydrophobicContact CG1-CE 4.08Å; V53-M64 HydrophobicContact CG1-SD 4.12Å; V53-M64 HydrophobicContact CG2-CB 3.99Å; V53-M64 HydrophobicContact CG2-CE 4.18Å
54K98.1Very high93.3Very high71 Ų7147.2 Ų47.231%0.30927%0.269SS..EExtended strand (participates in β ladder)trans-115.4124.6170.6-178-176.9-179.6-174.30109.1F36 D37 I39 K56 G59 N60 Y61F36-K54 CarbonylContact C-O 3.45Å; F36-K54 WeakPolarHBondContact CA-O 3.4Å; D37-K54 HydrophobicContact CB-CB 4.41Å; D37-K54 PolarHBondContact N-O 2.77Å; D37-K54 PolarHBondContact O-N 3.02Å; I39-K54 HydrophobicContact CD1-CB 3.94Å; K54-K56 PolarHBondContact O-N 3.19Å; K54-G59 WeakPolarHBondContact CE-O 3.45Å; K54-N60 CarbonylContact C-O 3.59Å; K54-N60 WeakPolarHBondContact CA-O 3.34Å; K54-Y61 HydrophobicContact CB-CD1 4.08Å; K54-Y61 HydrophobicContact CB-CE1 3.99Å; K54-Y61 HydrophobicContact CD-CE1 4.18Å; K54-Y61 HydrophobicContact CG-CD1 4.5Å; K54-Y61 HydrophobicContact CG-CE1 4.24Å
55H98.2Very high93.7Very high16 Ų1645 Ų457%0.07425%0.253CS..EExtended strand (participates in β ladder)trans-71.1121.6174.1-178.3-123.8000109.3D35 F36 Q57 S58 G59 N60 Y62D35-H55 PolarHBondContact O-CD2 2.67Å; F36-H55 HydrophobicContact CD1-CB 3.98Å; F36-H55 HydrophobicContact CE1-CB 3.83Å; F36-H55 AromaticContact CE1-CD2 3.65Å; F36-H55 AromaticContact CZ-CD2 3.91Å; H55-Q57 VanDerWaalsContact C-N 3.34Å; H55-Q57 PolarHBondContact O-N 2.65Å; H55-S58 PolarHBondContact ND1-N 3.48Å; H55-S58 PolarHBondContact ND1-OG 2.87Å; H55-G59 VanDerWaalsContact O-CA 3.31Å; H55-G59 WeakPolarHBondContact O-CA 3.24Å; H55-G59 PolarHBondContact O-N 3.22Å; H55-N60 PolarHBondContact N-O 2.82Å; H55-Y62 HydrophobicContact CB-CD2 4Å; H55-Y62 HydrophobicContact CB-CE2 3.64Å
56K98Very high94.5Very high111 Ų11142.7 Ų42.748%0.48323%0.226SC..THydrogen-bonded Turntrans-61.9-41.1-170.3-71.2175.9178.5169.70112.4D34 D35 D37 K54D34-K56 WeakPolarHBondContact O-CD 3.38Å; D34-K56 WeakPolarHBondContact O-CE 3.3Å; D34-K56 PolarHBondContact O-NZ 3.11Å; D35-K56 WeakPolarHBondContact O-CB 3.17Å; D35-K56 WeakPolarHBondContact O-CG 3.35Å; D35-K56 PolarHBondContact O-N 3.38Å; D37-K56 WeakPolarHBondContact OD1-CE 3.43Å; D37-K56 IonicContact OD1-NZ 3.96Å; K54-K56 PolarHBondContact O-N 3.19Å
57Q97.1Very high95.3Very high178 Ų17839.3 Ų39.383%0.83220%0.202SC*.THydrogen-bonded Turntrans-74-45.2-175.5-170.9-17522.800112.9H55H55-Q57 VanDerWaalsContact C-N 3.34Å; H55-Q57 PolarHBondContact O-N 2.65Å
58S96.8Very high95.9Very high58 Ų5839 Ų3941%0.40620%0.203SC..THydrogen-bonded Turntrans-91.8-18.2-176.3660000113.9H55 N60H55-S58 PolarHBondContact ND1-N 3.48Å; H55-S58 PolarHBondContact ND1-OG 2.87Å; S58-N60 PolarHBondContact O-N 3Å; S58-N60 PolarHBondContact OG-N 2.8Å
59G96.8Very high96.4Very high27 Ų2738 Ų3828%0.27819%0.193SC..  trans74.30.9-173.800000114.8K54 H55K54-G59 WeakPolarHBondContact CE-O 3.45Å; H55-G59 VanDerWaalsContact O-CA 3.31Å; H55-G59 WeakPolarHBondContact O-CA 3.24Å; H55-G59 PolarHBondContact O-N 3.22Å
60N97Very high96.5Very high86 Ų8641.9 Ų41.946%0.4621%0.212SC..  trans-76.1148.9-179.1-68.6-20.8000112K54 H55 S58 Y62K54-N60 CarbonylContact C-O 3.59Å; K54-N60 WeakPolarHBondContact CA-O 3.34Å; H55-N60 PolarHBondContact N-O 2.82Å; S58-N60 PolarHBondContact O-N 3Å; S58-N60 PolarHBondContact OG-N 2.8Å; N60-Y62 HydrophobicContact CB-CD2 4.48Å; N60-Y62 HydrophobicContact CB-CE2 3.64Å
61Y97.2Very high96.6Very high63 Ų6344.5 Ų44.525%0.24722%0.22CC..EExtended strand (participates in β ladder)trans-94.5142.9176.1-65.4-92.6000111.5I39 L52 V53 K54 P328 A329I39-Y61 HydrophobicContact CD1-CD1 3.79Å; I39-Y61 HydrophobicContact CD1-CE1 3.42Å; I39-Y61 VanDerWaalsContact CD1-CE1 3.42Å; L52-Y61 HydrophobicContact CD1-CD1 4.13Å; L52-Y61 HydrophobicContact CD2-CD1 4.49Å; L52-Y61 HydrophobicContact CG-CD1 4.35Å; V53-Y61 CarbonylContact O-C 3.58Å; V53-Y61 VanDerWaalsContact O-CA 3.29Å; V53-Y61 WeakPolarHBondContact O-CA 3.2Å; K54-Y61 HydrophobicContact CB-CD1 4.08Å; K54-Y61 HydrophobicContact CB-CE1 3.99Å; K54-Y61 HydrophobicContact CD-CE1 4.18Å; K54-Y61 HydrophobicContact CG-CD1 4.5Å; K54-Y61 HydrophobicContact CG-CE1 4.24Å; Y61-P328 HydrophobicContact CD2-CB 3.78Å; Y61-P328 HydrophobicContact CD2-CG 4.03Å; Y61-P328 HydrophobicContact CE2-CB 4.05Å; Y61-P328 HydrophobicContact CE2-CG 3.75Å; Y61-A329 HydrophobicContact CD1-CB 3.78Å; Y61-A329 HydrophobicContact CE1-CB 3.42Å; Y61-A329 VanDerWaalsContact CE1-CB 3.42Å; Y61-A329 HydrophobicContact CE2-CB 4.21Å; Y61-A329 HydrophobicContact CG-CB 4.31Å
62Y97.9Very high96.7Very high25 Ų2544.5 Ų44.510%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-139.4159.8-178.5-64-83.8000111.3F36 L52 V53 H55 N60 T100 F101 V112 L113F36-Y62 HydrophobicContact CE1-CD2 4.31Å; L52-Y62 WeakPolarHBondContact CA-O 3.3Å; V53-Y62 PolarHBondContact N-O 2.91Å; V53-Y62 PolarHBondContact O-N 2.83Å; H55-Y62 HydrophobicContact CB-CD2 4Å; H55-Y62 HydrophobicContact CB-CE2 3.64Å; N60-Y62 HydrophobicContact CB-CD2 4.48Å; N60-Y62 HydrophobicContact CB-CE2 3.64Å; Y62-T100 HydrophobicContact CE1-CG2 4.03Å; Y62-T100 WeakPolarHBondContact CE1-OG1 3.42Å; Y62-F101 HydrophobicContact CE1-CE2 4.35Å; Y62-F101 HydrophobicContact CE2-CE2 4.08Å; Y62-F101 AromaticContact CZ-CE2 3.91Å; Y62-V112 HydrophobicContact CD1-CG1 3.98Å; Y62-V112 HydrophobicContact CD2-CG1 4.29Å; Y62-V112 HydrophobicContact CG-CG1 3.64Å; Y62-L113 WeakPolarHBondContact CA-O 3.28Å; Y62-L113 WeakPolarHBondContact CB-O 3.25Å; Y62-L113 WeakPolarHBondContact CD1-O 3.5Å
63A96.6Very high96.7Very high11 Ų1146.7 Ų46.79%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-99.4106.6167.800000109.2L42 V50 M51 L113 F115L42-A63 HydrophobicContact CD1-CB 4.12Å; V50-A63 HydrophobicContact CG1-CB 3.93Å; M51-A63 CarbonylContact O-C 3.56Å; M51-A63 WeakPolarHBondContact O-CA 3.49Å; A63-L113 HydrophobicContact CB-CB 4.48Å; A63-L113 PolarHBondContact N-O 3.26Å; A63-L113 WeakPolarHBondContact O-CB 3.29Å; A63-L113 PolarHBondContact O-N 2.89Å; A63-F115 HydrophobicContact CB-CD2 4.44Å
64M97.5Very high96.6Very high0 Ų054.9 Ų54.90%027%0.269CS..EExtended strand (participates in β ladder)trans-90.3107.8178-177.7-177.6-74.200110L33 F36 V50 M51 V53 I66 F103 Y110 V112L33-M64 HydrophobicContact CD1-CE 4.22Å; L33-M64 HydrophobicContact CD1-SD 3.87Å; F36-M64 HydrophobicContact CB-CE 3.95Å; F36-M64 HydrophobicContact CD1-CE 4.23Å; F36-M64 HydrophobicContact CD2-CE 3.52Å; F36-M64 HydrophobicContact CE2-CE 4.07Å; F36-M64 HydrophobicContact CG-CE 3.63Å; V50-M64 CarbonylContact C-O 3.53Å; V50-M64 WeakPolarHBondContact CA-O 3.23Å; M51-M64 PolarHBondContact N-O 3.39Å; M51-M64 PolarHBondContact O-N 3.46Å; V53-M64 HydrophobicContact CG1-CB 3.68Å; V53-M64 HydrophobicContact CG1-CE 4.08Å; V53-M64 HydrophobicContact CG1-SD 4.12Å; V53-M64 HydrophobicContact CG2-CB 3.99Å; V53-M64 HydrophobicContact CG2-CE 4.18Å; M64-I66 HydrophobicContact CG-CD1 4.47Å; M64-I66 HydrophobicContact CG-CG1 3.87Å; M64-I66 HydrophobicContact SD-CD1 4.23Å; M64-I66 HydrophobicContact SD-CG1 4.11Å; M64-F103 HydrophobicContact CE-CE1 4.31Å; M64-F103 HydrophobicContact CE-CZ 3.81Å; M64-F103 HydrophobicContact SD-CZ 4.5Å; M64-Y110 HydrophobicContact CG-CD1 4.12Å; M64-Y110 HydrophobicContact SD-CD1 3.71Å; M64-Y110 HydrophobicContact SD-CE1 4.22Å; M64-V112 HydrophobicContact CE-CG2 3.89Å; M64-V112 HydrophobicContact CG-CG2 4.2Å
65K96Very high96.3Very high30 Ų3055.4 Ų55.413%0.1327%0.274CS..EExtended strand (participates in β ladder)trans-79.8114.9169.7-174171.8179.7-178.80108.3V50 L67 E84 Y110 M111 D177V50-K65 HydrophobicContact CG2-CB 4.27Å; V50-K65 HydrophobicContact CG2-CG 4.25Å; K65-L67 HydrophobicContact CG-CD2 4.17Å; K65-L67 HydrophobicContact CG-CG 4.32Å; K65-E84 VanDerWaalsContact NZ-CD 3.25Å; K65-E84 IonicContact NZ-OE1 2.89Å; K65-E84 PolarHBondContact NZ-OE1 2.89Å; K65-E84 IonicContact NZ-OE2 3.98Å; K65-E84 PolarHBondContact NZ-OE2 2.89Å; K65-Y110 WeakPolarHBondContact O-CA 3.33Å; K65-M111 HydrophobicContact CB-CB 4.37Å; K65-M111 HydrophobicContact CD-CE 3.81Å; K65-M111 HydrophobicContact CG-CE 4.31Å; K65-M111 PolarHBondContact N-O 3.33Å; K65-M111 PolarHBondContact O-N 3.05Å; K65-D177 IonicContact NZ-OD1 2.86Å
66I96.4Very high96.1Very high6 Ų663.3 Ų63.33%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-107.7121.8-178.2-51174.5000107.7G48 R49 M51 M64 N108 Y110 F344G48-I66 CarbonylContact C-O 3.56Å; G48-I66 VanDerWaalsContact CA-O 3.28Å; G48-I66 WeakPolarHBondContact CA-O 3.49Å; R49-I66 HydrophobicContact CG-CB 4.44Å; R49-I66 HydrophobicContact CG-CD1 4.45Å; R49-I66 PolarHBondContact N-O 3.39Å; R49-I66 PolarHBondContact O-N 3.15Å; M51-I66 HydrophobicContact CB-CD1 4.5Å; M51-I66 HydrophobicContact CG-CD1 3.89Å; M51-I66 HydrophobicContact SD-CD1 3.43Å; M51-I66 WeakPolarHBondContact SD-CD1 3.28Å; M64-I66 HydrophobicContact CG-CD1 4.47Å; M64-I66 HydrophobicContact CG-CG1 3.87Å; M64-I66 HydrophobicContact SD-CD1 4.23Å; M64-I66 HydrophobicContact SD-CG1 4.11Å; I66-N108 HydrophobicContact CG2-CB 4.06Å; I66-Y110 HydrophobicContact CB-CD1 4.4Å; I66-Y110 HydrophobicContact CB-CE1 4.34Å; I66-Y110 HydrophobicContact CD1-CE1 4.35Å; I66-Y110 HydrophobicContact CG1-CD1 3.93Å; I66-Y110 HydrophobicContact CG1-CE1 3.98Å; I66-Y110 HydrophobicContact CG2-CD1 4.15Å; I66-Y110 HydrophobicContact CG2-CE1 3.69Å; I66-F344 HydrophobicContact CD1-CE1 3.82Å; I66-F344 HydrophobicContact CD1-CZ 4.11Å; I66-F344 HydrophobicContact CG2-CZ 4.3Å
67L95.8Very high95.8Very high6 Ų660 Ų603%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-121.2124.5-177.2-57.7172000110.4F47 K65 K69 V72 T81 N108 L109 M111F47-L67 HydrophobicContact CB-CD2 3.95Å; K65-L67 HydrophobicContact CG-CD2 4.17Å; K65-L67 HydrophobicContact CG-CG 4.32Å; L67-K69 PolarHBondContact O-N 2.89Å; L67-V72 HydrophobicContact CB-CG2 4.1Å; L67-T81 HydrophobicContact CD1-CG2 3.63Å; L67-N108 CarbonylContact O-C 3.52Å; L67-N108 VanDerWaalsContact O-CA 3.24Å; L67-N108 WeakPolarHBondContact O-CA 3.42Å; L67-L109 HydrophobicContact CB-CB 4.27Å; L67-L109 PolarHBondContact N-O 3.1Å; L67-L109 PolarHBondContact O-N 2.83Å; L67-M111 HydrophobicContact CD1-CE 3.56Å
68D95.4Very high95.7Very high42 Ų4253 Ų5323%0.22527%0.265CS..EExtended strand (participates in β ladder)trans-74.4119.3177.4174.8-40.1000109.7F47 Q70 K71 V72F47-D68 PolarHBondContact O-N 2.86Å; D68-Q70 VanDerWaalsContact C-N 3.26Å; D68-Q70 PolarHBondContact O-N 3.18Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.41Å; D68-Q70 VanDerWaalsContact OD1-CB 3.3Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.07Å; D68-Q70 PolarHBondContact OD1-N 3.34Å; D68-K71 HydrophobicContact CB-CB 4.01Å; D68-K71 HydrophobicContact CB-CD 3.93Å; D68-K71 HydrophobicContact CB-CG 3.94Å; D68-K71 PolarHBondContact O-N 3.21Å; D68-K71 VanDerWaalsContact O-N 3.14Å; D68-K71 PolarHBondContact OD1-N 2.95Å; D68-V72 WeakPolarHBondContact O-CG2 3.45Å; D68-V72 PolarHBondContact O-N 3.22Å
69K96.5Very high95.5Very high0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-55.7-41.1-177.6-73178172.21800111.7L67 V72 V73 D105 S107 L109 Q351 L352 E353 F356L67-K69 PolarHBondContact O-N 2.89Å; K69-V72 PolarHBondContact O-N 3.29Å; K69-V73 WeakPolarHBondContact O-CG2 3.23Å; K69-V73 PolarHBondContact O-N 3.33Å; K69-V73 VanDerWaalsContact O-N 3.09Å; K69-D105 VanDerWaalsContact CE-O 3.28Å; K69-D105 WeakPolarHBondContact CE-O 3.44Å; K69-D105 PolarHBondContact NZ-O 3.43Å; K69-S107 VanDerWaalsContact CB-O 3.28Å; K69-S107 WeakPolarHBondContact CB-O 3.13Å; K69-S107 VanDerWaalsContact CG-O 3.31Å; K69-S107 WeakPolarHBondContact CG-O 3.4Å; K69-S107 PolarHBondContact N-O 3.42Å; K69-L109 HydrophobicContact CD-CD2 4.36Å; K69-L109 HydrophobicContact CG-CD2 3.94Å; K69-L109 HydrophobicContact CG-CG 3.92Å; K69-Q351 VanDerWaalsContact CD-O 3.26Å; K69-Q351 WeakPolarHBondContact CD-O 3.42Å; K69-Q351 PolarHBondContact NZ-O 3.45Å; K69-L352 HydrophobicContact CB-CD1 3.96Å; K69-E353 IonicContact NZ-OE2 3.79Å; K69-E353 PolarHBondContact NZ-OE2 2.98Å; K69-F356 HydrophobicContact CB-CD2 4.27Å; K69-F356 HydrophobicContact CB-CE2 3.78Å; K69-F356 HydrophobicContact CD-CD2 4.01Å; K69-F356 HydrophobicContact CD-CE2 4.38Å; K69-F356 HydrophobicContact CG-CD2 3.86Å; K69-F356 HydrophobicContact CG-CE2 3.83Å
70Q95.1Very high95.2Very high104 Ų10456.4 Ų56.449%0.48627%0.266SS..Hα-helixtrans-67.7-42-180-58.6-172.5-11.500111.4D68 V73 K74 L352D68-Q70 VanDerWaalsContact C-N 3.26Å; D68-Q70 PolarHBondContact O-N 3.18Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.41Å; D68-Q70 VanDerWaalsContact OD1-CB 3.3Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.07Å; D68-Q70 PolarHBondContact OD1-N 3.34Å; Q70-V73 PolarHBondContact O-N 2.9Å; Q70-K74 VanDerWaalsContact O-CB 3.27Å; Q70-K74 WeakPolarHBondContact O-CB 3.48Å; Q70-K74 PolarHBondContact O-N 3.46Å; Q70-L352 HydrophobicContact CB-CD1 4.45Å; Q70-L352 HydrophobicContact CG-CD1 4.07Å
71K95.1Very high95.1Very high99 Ų9952.6 Ų52.643%0.4325%0.246SC..Hα-helixtrans-65.1-42176.4-67.6-177-171.3173.50111.9D68 V73 K74 L75D68-K71 HydrophobicContact CB-CB 4.01Å; D68-K71 HydrophobicContact CB-CD 3.93Å; D68-K71 HydrophobicContact CB-CG 3.94Å; D68-K71 PolarHBondContact O-N 3.21Å; D68-K71 VanDerWaalsContact O-N 3.14Å; D68-K71 PolarHBondContact OD1-N 2.95Å; K71-V73 VanDerWaalsContact C-N 3.33Å; K71-V73 PolarHBondContact O-N 2.92Å; K71-K74 PolarHBondContact O-N 3.33Å; K71-L75 WeakPolarHBondContact O-CB 3.16Å; K71-L75 PolarHBondContact O-N 3.05Å
72V95.5Very high95Very high0 Ų051.4 Ų51.40%024%0.244CC..Hα-helixtrans-58-46.1176.2171.20000110.7F47 L67 D68 K69 K76 Q77 V78 T81 F356F47-V72 HydrophobicContact CB-CG2 4.13Å; L67-V72 HydrophobicContact CB-CG2 4.1Å; D68-V72 WeakPolarHBondContact O-CG2 3.45Å; D68-V72 PolarHBondContact O-N 3.22Å; K69-V72 PolarHBondContact O-N 3.29Å; V72-K76 PolarHBondContact O-N 3.06Å; V72-Q77 HydrophobicContact CG1-CB 4.19Å; V72-Q77 PolarHBondContact O-N 3.27Å; V72-V78 HydrophobicContact CG1-CG2 4.26Å; V72-T81 WeakPolarHBondContact CG1-OG1 3.3Å; V72-F356 HydrophobicContact CB-CZ 4.17Å; V72-F356 HydrophobicContact CG1-CE1 3.96Å; V72-F356 HydrophobicContact CG1-CZ 3.76Å
73V95.8Very high94.9Very high47 Ų4751.5 Ų51.529%0.28525%0.246SC..Hα-helixtrans-66.8-48.2177.3173.50000111.6K69 Q70 K71 L75 K76 V78 L352 L355 F356K69-V73 WeakPolarHBondContact O-CG2 3.23Å; K69-V73 PolarHBondContact O-N 3.33Å; K69-V73 VanDerWaalsContact O-N 3.09Å; Q70-V73 PolarHBondContact O-N 2.9Å; K71-V73 VanDerWaalsContact C-N 3.33Å; K71-V73 PolarHBondContact O-N 2.92Å; V73-L75 PolarHBondContact O-N 2.98Å; V73-K76 PolarHBondContact O-N 3.22Å; V73-V78 HydrophobicContact CB-CG2 4.49Å; V73-V78 HydrophobicContact CG2-CG2 3.75Å; V73-L352 HydrophobicContact CB-CD1 4.31Å; V73-L352 HydrophobicContact CG2-CD1 3.79Å; V73-L352 HydrophobicContact CG2-CD2 4.36Å; V73-L355 HydrophobicContact CG1-CD1 4.33Å; V73-L355 HydrophobicContact CG2-CD1 3.56Å; V73-F356 HydrophobicContact CG2-CE2 4.02Å; V73-F356 HydrophobicContact CG2-CZ 4.02Å
74K95Very high94.8Very high173 Ų17351.3 Ų51.375%0.75224%0.244SC*.Hα-helixtrans-55.7-38.4180-178.1179.4179-179.40112.3Q70 K71 K76Q70-K74 VanDerWaalsContact O-CB 3.27Å; Q70-K74 WeakPolarHBondContact O-CB 3.48Å; Q70-K74 PolarHBondContact O-N 3.46Å; K71-K74 PolarHBondContact O-N 3.33Å; K74-K76 VanDerWaalsContact C-N 3.33Å
75L92.7Very high94.8Very high81 Ų8151.5 Ų51.542%0.42424%0.244SC..THydrogen-bonded Turntrans-93.310.8-179.8-63.2172.8000113.4F47 K71 V73 Q77F47-L75 HydrophobicContact CD1-CB 4.06Å; F47-L75 HydrophobicContact CD1-CD1 3.49Å; F47-L75 VanDerWaalsContact CD1-CD1 3.49Å; F47-L75 HydrophobicContact CD1-CG 4.35Å; F47-L75 HydrophobicContact CE1-CB 3.55Å; F47-L75 HydrophobicContact CE1-CD1 3.35Å; F47-L75 HydrophobicContact CE1-CG 4.05Å; K71-L75 WeakPolarHBondContact O-CB 3.16Å; K71-L75 PolarHBondContact O-N 3.05Å; V73-L75 PolarHBondContact O-N 2.98Å; L75-Q77 VanDerWaalsContact C-N 3.32Å; L75-Q77 HydrophobicContact CB-CG 4.36Å; L75-Q77 WeakPolarHBondContact O-CG 3.38Å; L75-Q77 PolarHBondContact O-N 2.81Å; L75-Q77 PolarHBondContact O-NE2 3.28Å; L75-Q77 VanDerWaalsContact O-NE2 3.12Å
76K93.5Very high94.8Very high182 Ų18253.9 Ų53.979%0.79125%0.252SS*.THydrogen-bonded Turntrans56.839.1175.4-55.9-179178.8-179.60113.6V72 V73 K74V72-K76 PolarHBondContact O-N 3.06Å; V73-K76 PolarHBondContact O-N 3.22Å; K74-K76 VanDerWaalsContact C-N 3.33Å
77Q92.6Very high94.9Very high42 Ų4253.6 Ų53.620%0.19625%0.251CS..  trans-106.617.5-177.5-62.6-56.3-56.900114.3F47 V72 L75 H80 T81F47-Q77 HydrophobicContact CD1-CG 4.27Å; F47-Q77 HydrophobicContact CE1-CB 4.3Å; F47-Q77 HydrophobicContact CE1-CG 3.46Å; F47-Q77 VanDerWaalsContact CE1-CG 3.46Å; F47-Q77 HydrophobicContact CE2-CG 4.11Å; F47-Q77 HydrophobicContact CZ-CB 4.36Å; F47-Q77 HydrophobicContact CZ-CG 3.4Å; V72-Q77 HydrophobicContact CG1-CB 4.19Å; V72-Q77 PolarHBondContact O-N 3.27Å; L75-Q77 VanDerWaalsContact C-N 3.32Å; L75-Q77 HydrophobicContact CB-CG 4.36Å; L75-Q77 WeakPolarHBondContact O-CG 3.38Å; L75-Q77 PolarHBondContact O-N 2.81Å; L75-Q77 PolarHBondContact O-NE2 3.28Å; L75-Q77 VanDerWaalsContact O-NE2 3.12Å; Q77-H80 PolarHBondContact O-N 3.28Å; Q77-H80 PolarHBondContact OE1-ND1 3.01Å; Q77-T81 WeakPolarHBondContact O-CB 3.44Å; Q77-T81 PolarHBondContact O-N 2.97Å; Q77-T81 PolarHBondContact O-OG1 2.88Å
78V94.5Very high94.9Very high32 Ų3253.5 Ų53.519%0.19425%0.25CS..Hα-helixtrans-58.3-53-178.8179.50000111.2V72 V73 H80 T81 L82 L355 F356V72-V78 HydrophobicContact CG1-CG2 4.26Å; V73-V78 HydrophobicContact CB-CG2 4.49Å; V73-V78 HydrophobicContact CG2-CG2 3.75Å; V78-H80 PolarHBondContact O-N 3.06Å; V78-T81 PolarHBondContact O-N 3.47Å; V78-L82 HydrophobicContact CG1-CD1 4.02Å; V78-L82 WeakPolarHBondContact O-CG 2.89Å; V78-L82 PolarHBondContact O-N 3.48Å; V78-L355 HydrophobicContact CG1-CB 4.44Å; V78-F356 HydrophobicContact CB-CE1 4.48Å; V78-F356 HydrophobicContact CG1-CE1 3.99Å; V78-F356 HydrophobicContact CG1-CZ 4.46Å; V78-F356 HydrophobicContact CG2-CE1 4.31Å; V78-F356 HydrophobicContact CG2-CZ 4.07Å
79E92.8Very high95Very high121 Ų12152.7 Ų52.757%0.56525%0.245SC*.Hα-helixtrans-59-46.4179.2-175-170.3153.600111.3T81 L82 N83 K182E79-T81 PolarHBondContact O-N 3.18Å; E79-L82 PolarHBondContact O-N 2.69Å; E79-N83 WeakPolarHBondContact O-CB 3.35Å; E79-N83 PolarHBondContact O-N 3.03Å; E79-K182 IonicContact OE1-NZ 3.79Å; E79-K182 PolarHBondContact OE1-NZ 3.42Å
80H90.9Very high95Very high34 Ų3452.7 Ų52.716%0.15725%0.246CC..Hα-helixtrans-63-40.6-179.9-70.8175.9000112.2Q77 V78 N83 E84Q77-H80 PolarHBondContact O-N 3.28Å; Q77-H80 PolarHBondContact OE1-ND1 3.01Å; V78-H80 PolarHBondContact O-N 3.06Å; H80-N83 PolarHBondContact O-N 3.43Å; H80-E84 VanDerWaalsContact O-CB 3.26Å; H80-E84 WeakPolarHBondContact O-CB 3.38Å; H80-E84 PolarHBondContact O-N 2.79Å
81T94.5Very high95.1Very high6 Ų648 Ų484%0.03722%0.224CC..Hα-helixtrans-67.6-46.1179.6-56.10000111.8L67 V72 Q77 V78 E79 N83 E84 K85 L109 F359L67-T81 HydrophobicContact CD1-CG2 3.63Å; V72-T81 WeakPolarHBondContact CG1-OG1 3.3Å; Q77-T81 WeakPolarHBondContact O-CB 3.44Å; Q77-T81 PolarHBondContact O-N 2.97Å; Q77-T81 PolarHBondContact O-OG1 2.88Å; V78-T81 PolarHBondContact O-N 3.47Å; E79-T81 PolarHBondContact O-N 3.18Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 2.98Å; T81-E84 PolarHBondContact O-N 3.35Å; T81-K85 PolarHBondContact O-N 3.18Å; T81-K85 VanDerWaalsContact O-N 3.08Å; T81-L109 HydrophobicContact CG2-CD1 3.74Å; T81-F359 HydrophobicContact CG2-CD2 4.48Å; T81-F359 HydrophobicContact CG2-CE2 4.13Å
82L95.6Very high95.1Very high38 Ų3847 Ų4720%0.19922%0.223CC..Hα-helixtrans-62.7-42.8176.6-70.1173.5000111.2V78 E79 R86 F356 F359V78-L82 HydrophobicContact CG1-CD1 4.02Å; V78-L82 WeakPolarHBondContact O-CG 2.89Å; V78-L82 PolarHBondContact O-N 3.48Å; E79-L82 PolarHBondContact O-N 2.69Å; L82-R86 VanDerWaalsContact O-CB 3.25Å; L82-R86 WeakPolarHBondContact O-CB 3.45Å; L82-R86 PolarHBondContact O-N 3.38Å; L82-F356 HydrophobicContact CD2-CD1 4.29Å; L82-F359 HydrophobicContact CD2-CB 3.86Å; L82-F359 HydrophobicContact CD2-CD2 4.26Å
83N94.3Very high95.2Very high27 Ų2747.4 Ų47.414%0.14423%0.225CC..Hα-helixtrans-70.2-37.6179.4177.569.5000112.3E79 H80 T81 R86 I87 A181E79-N83 WeakPolarHBondContact O-CB 3.35Å; E79-N83 PolarHBondContact O-N 3.03Å; H80-N83 PolarHBondContact O-N 3.43Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 2.98Å; N83-R86 PolarHBondContact O-N 3.31Å; N83-I87 WeakPolarHBondContact O-CB 3.37Å; N83-I87 VanDerWaalsContact O-CG1 3.24Å; N83-I87 WeakPolarHBondContact O-CG1 3.43Å; N83-I87 PolarHBondContact O-N 3.39Å; N83-A181 PolarHBondContact ND2-O 2.91Å
84E95.8Very high95.1Very high8 Ų846.8 Ų46.84%0.03722%0.222CC..Hα-helixtrans-56.9-55.1172.1177.8176.5-161.700110.4K65 H80 T81 R86 I87 L88 M111 F178K65-E84 VanDerWaalsContact NZ-CD 3.25Å; K65-E84 IonicContact NZ-OE1 2.89Å; K65-E84 PolarHBondContact NZ-OE1 2.89Å; K65-E84 IonicContact NZ-OE2 3.98Å; K65-E84 PolarHBondContact NZ-OE2 2.89Å; H80-E84 VanDerWaalsContact O-CB 3.26Å; H80-E84 WeakPolarHBondContact O-CB 3.38Å; H80-E84 PolarHBondContact O-N 2.79Å; T81-E84 PolarHBondContact O-N 3.35Å; E84-R86 VanDerWaalsContact C-N 3.29Å; E84-R86 PolarHBondContact O-N 2.9Å; E84-I87 PolarHBondContact O-N 3.22Å; E84-L88 HydrophobicContact CG-CD1 3.7Å; E84-L88 HydrophobicContact CG-CG 4.41Å; E84-L88 WeakPolarHBondContact O-CB 3.15Å; E84-L88 WeakPolarHBondContact O-CG 3.44Å; E84-L88 PolarHBondContact O-N 2.77Å; E84-M111 HydrophobicContact CG-CE 4.36Å; E84-M111 HydrophobicContact CG-SD 4.3Å; E84-F178 HydrophobicContact CG-CB 4.04Å; E84-F178 PolarHBondContact OE1-N 3.2Å
85K96.8Very high95.2Very high3 Ų338.5 Ų38.51%0.01319%0.186CC..Hα-helixtrans-57.7-43.2177.5-176.4-94.8170.8161.50111.5A27 T81 I87 L88 Q89 M99 S102 M111 F359A27-K85 PolarHBondContact O-NZ 3.19Å; T81-K85 PolarHBondContact O-N 3.18Å; T81-K85 VanDerWaalsContact O-N 3.08Å; K85-I87 PolarHBondContact O-N 3.11Å; K85-L88 PolarHBondContact O-N 3.44Å; K85-Q89 WeakPolarHBondContact O-CG 3.39Å; K85-Q89 PolarHBondContact O-N 3.37Å; K85-Q89 VanDerWaalsContact O-N 3.12Å; K85-M99 HydrophobicContact CG-CE 4.03Å; K85-M99 HydrophobicContact CG-SD 4.37Å; K85-S102 WeakPolarHBondContact CE-OG 3.48Å; K85-M111 HydrophobicContact CB-SD 3.91Å; K85-M111 HydrophobicContact CG-CG 4.43Å; K85-M111 HydrophobicContact CG-SD 4.4Å; K85-F359 HydrophobicContact CB-CD2 4.2Å; K85-F359 HydrophobicContact CB-CE2 3.78Å; K85-F359 HydrophobicContact CB-CZ 4.31Å; K85-F359 WeakPolarHBondContact CE-O 3.43Å; K85-F359 HydrophobicContact CG-CD2 4.25Å; K85-F359 HydrophobicContact CG-CE1 4.42Å; K85-F359 HydrophobicContact CG-CE2 3.88Å; K85-F359 HydrophobicContact CG-CZ 3.97Å; K85-F359 PolarHBondContact NZ-O 3.21Å
86R96.9Very high95.5Very high80 Ų8034.7 Ų34.730%0.30217%0.166SC..Hα-helixtrans-65.5-37-178.9-168.7178.2-176.5158.44.2113.1W23 L82 N83 E84 Q89 A90W23-R86 HydrophobicContact CD2-CG 4.32Å; W23-R86 HydrophobicContact CE3-CG 3.88Å; W23-R86 HydrophobicContact CH2-CG 3.97Å; W23-R86 HydrophobicContact CZ2-CG 4.4Å; W23-R86 HydrophobicContact CZ3-CB 4.24Å; W23-R86 HydrophobicContact CZ3-CG 3.69Å; W23-R86 PolarHBondContact O-NE 2.86Å; W23-R86 PolarHBondContact O-NH2 3.04Å; L82-R86 VanDerWaalsContact O-CB 3.25Å; L82-R86 WeakPolarHBondContact O-CB 3.45Å; L82-R86 PolarHBondContact O-N 3.38Å; N83-R86 PolarHBondContact O-N 3.31Å; E84-R86 VanDerWaalsContact C-N 3.29Å; E84-R86 PolarHBondContact O-N 2.9Å; R86-Q89 VanDerWaalsContact O-CG 3.31Å; R86-Q89 WeakPolarHBondContact O-CG 3.39Å; R86-A90 WeakPolarHBondContact O-CB 3.1Å
87I97.3Very high95.6Very high0 Ų026.1 Ų26.10%013%0.129CC..Hα-helixtrans-70.4-51.1174.9-70.2168.7000109.8W23 N83 E84 K85 Q89 A90 I91 L155 F178 A181W23-I87 HydrophobicContact CH2-CG1 4.22Å; W23-I87 HydrophobicContact CZ3-CG1 3.69Å; N83-I87 WeakPolarHBondContact O-CB 3.37Å; N83-I87 VanDerWaalsContact O-CG1 3.24Å; N83-I87 WeakPolarHBondContact O-CG1 3.43Å; N83-I87 PolarHBondContact O-N 3.39Å; E84-I87 PolarHBondContact O-N 3.22Å; K85-I87 PolarHBondContact O-N 3.11Å; I87-Q89 VanDerWaalsContact C-N 3.34Å; I87-Q89 PolarHBondContact O-N 3.24Å; I87-A90 PolarHBondContact O-N 2.83Å; I87-I91 HydrophobicContact CG2-CD1 4.22Å; I87-I91 HydrophobicContact CG2-CG2 4.05Å; I87-I91 WeakPolarHBondContact O-CG1 3.35Å; I87-I91 PolarHBondContact O-N 3.15Å; I87-L155 HydrophobicContact CD1-CD2 3.87Å; I87-L155 HydrophobicContact CG1-CD2 3.84Å; I87-L155 HydrophobicContact CG2-CD1 4.01Å; I87-L155 HydrophobicContact CG2-CD2 4.38Å; I87-F178 HydrophobicContact CG2-CD1 3.75Å; I87-F178 HydrophobicContact CG2-CE1 4.31Å; I87-A181 HydrophobicContact CD1-CB 3.65Å; I87-A181 WeakPolarHBondContact CD1-O 3.29Å; I87-A181 HydrophobicContact CG2-CB 4.5Å
88L97.4Very high95.8Very high4 Ų426.6 Ų26.62%0.02113%0.133CC..Hα-helixtrans-59.3-38.2-174.8-78.9171.3000113.8E84 K85 A90 I91 V97 M99 M111 L113 F178E84-L88 HydrophobicContact CG-CD1 3.7Å; E84-L88 HydrophobicContact CG-CG 4.41Å; E84-L88 WeakPolarHBondContact O-CB 3.15Å; E84-L88 WeakPolarHBondContact O-CG 3.44Å; E84-L88 PolarHBondContact O-N 2.77Å; K85-L88 PolarHBondContact O-N 3.44Å; L88-A90 VanDerWaalsContact C-N 3.28Å; L88-A90 PolarHBondContact O-N 3.27Å; L88-I91 HydrophobicContact CD2-CD1 4.29Å; L88-V97 HydrophobicContact CD2-CG1 4.07Å; L88-M99 HydrophobicContact CB-CB 4.01Å; L88-M99 HydrophobicContact CB-CE 4.28Å; L88-M99 HydrophobicContact CB-SD 4.06Å; L88-M111 HydrophobicContact CD1-SD 4Å; L88-L113 HydrophobicContact CD1-CD2 4.16Å; L88-F178 HydrophobicContact CD2-CB 4.22Å; L88-F178 HydrophobicContact CD2-CD2 3.48Å; L88-F178 VanDerWaalsContact CD2-CD2 3.48Å; L88-F178 HydrophobicContact CD2-CE2 3.95Å; L88-F178 HydrophobicContact CD2-CG 3.92Å; L88-F178 HydrophobicContact CG-CB 4.12Å; L88-F178 HydrophobicContact CG-CD2 4.3Å; L88-F178 HydrophobicContact CG-CG 4.31Å
89Q96.5Very high95.9Very high25 Ų2526.3 Ų26.312%0.11713%0.13CC..THydrogen-bonded Turntrans-71.6-21.8175.467.2-170.9-400113.6A27 K85 R86 I87 M99A27-Q89 PolarHBondContact O-OE1 3.21Å; K85-Q89 WeakPolarHBondContact O-CG 3.39Å; K85-Q89 PolarHBondContact O-N 3.37Å; K85-Q89 VanDerWaalsContact O-N 3.12Å; R86-Q89 VanDerWaalsContact O-CG 3.31Å; R86-Q89 WeakPolarHBondContact O-CG 3.39Å; I87-Q89 VanDerWaalsContact C-N 3.34Å; I87-Q89 PolarHBondContact O-N 3.24Å; Q89-M99 HydrophobicContact CB-CE 3.48Å; Q89-M99 VanDerWaalsContact CB-CE 3.48Å
90A97.2Very high96.1Very high1 Ų123.5 Ų23.51%0.00812%0.121CC..THydrogen-bonded Turntrans-96.9-25.5-171.500000112.8F19 R22 W23 R86 I87 L88F19-A90 HydrophobicContact CD2-CB 3.6Å; F19-A90 WeakPolarHBondContact CD2-O 3.49Å; F19-A90 HydrophobicContact CE2-CB 3.55Å; F19-A90 HydrophobicContact CZ-CB 4.5Å; R22-A90 HydrophobicContact CB-CB 4.02Å; W23-A90 HydrophobicContact CB-CB 4.3Å; W23-A90 HydrophobicContact CE3-CB 4.23Å; R86-A90 WeakPolarHBondContact O-CB 3.1Å; I87-A90 PolarHBondContact O-N 2.83Å; L88-A90 VanDerWaalsContact C-N 3.28Å; L88-A90 PolarHBondContact O-N 3.27Å
91I97.3Very high96.5Very high4 Ų423.5 Ų23.52%0.02112%0.121CC..  trans-84.2154178.364-179.5000112F19 I87 L88 L96 Y149 L150 L153 L155 F178F19-I91 HydrophobicContact CD2-CG2 4.18Å; F19-I91 HydrophobicContact CE2-CG2 4.09Å; I87-I91 HydrophobicContact CG2-CD1 4.22Å; I87-I91 HydrophobicContact CG2-CG2 4.05Å; I87-I91 WeakPolarHBondContact O-CG1 3.35Å; I87-I91 PolarHBondContact O-N 3.15Å; L88-I91 HydrophobicContact CD2-CD1 4.29Å; I91-L96 HydrophobicContact CB-CD1 4.48Å; I91-L96 HydrophobicContact CD1-CB 4.47Å; I91-L96 HydrophobicContact CD1-CD1 3.95Å; I91-Y149 WeakPolarHBondContact CA-OH 3.5Å; I91-Y149 HydrophobicContact CB-CE1 4.08Å; I91-Y149 HydrophobicContact CG2-CE1 4.26Å; I91-L150 HydrophobicContact CG2-CD2 4.1Å; I91-L153 HydrophobicContact CG2-CD1 4.26Å; I91-L155 HydrophobicContact CG2-CD1 3.64Å; I91-F178 HydrophobicContact CD1-CD1 4.12Å; I91-F178 HydrophobicContact CD1-CE1 3.5Å; I91-F178 HydrophobicContact CD1-CE2 4.13Å; I91-F178 HydrophobicContact CD1-CZ 3.49Å; I91-F178 VanDerWaalsContact CD1-CZ 3.49Å
92D95.3Very high96.6Very high80 Ų8023.4 Ų23.443%0.42812%0.12SC..  trans-158101.9179.4-164.8-15.2000108.7R22 Y149R22-D92 IonicContact CZ-OD2 3.65Å; R22-D92 IonicContact NH1-OD2 3.33Å; R22-D92 PolarHBondContact NH1-OD2 2.91Å; R22-D92 IonicContact NH2-OD2 2.99Å; R22-D92 PolarHBondContact NH2-OD2 3.12Å; D92-Y149 PolarHBondContact N-OH 2.8Å; D92-Y149 PolarHBondContact O-OH 3.42Å
93F95.8Very high96.8Very high7 Ų721.8 Ų21.83%0.03111%0.111CC..  trans-153.8143-177.3-162.2-105000111.7F11 F95 L96 L145 A146 Y149 Y299F11-F93 HydrophobicContact CE1-CD2 4.32Å; F11-F93 AromaticContact CE1-CE2 3.89Å; F11-F93 HydrophobicContact CE1-CE2 3.89Å; F11-F93 HydrophobicContact CZ-CD2 4.35Å; F11-F93 HydrophobicContact CZ-CE2 4.24Å; F93-F95 HydrophobicContact CD1-CB 4.48Å; F93-F95 HydrophobicContact CD1-CD2 4.3Å; F93-F95 AromaticContact CE1-CD2 3.73Å; F93-F95 HydrophobicContact CE1-CD2 3.73Å; F93-F95 HydrophobicContact CE1-CE2 4.25Å; F93-F95 PolarHBondContact O-N 3.15Å; F93-L96 HydrophobicContact CB-CB 4.37Å; F93-L96 HydrophobicContact CB-CD1 3.74Å; F93-L96 HydrophobicContact CB-CG 3.85Å; F93-L96 HydrophobicContact CD1-CG 4.33Å; F93-L96 PolarHBondContact O-N 3.27Å; F93-L145 HydrophobicContact CE1-CB 4.09Å; F93-L145 HydrophobicContact CZ-CB 4.02Å; F93-L145 WeakPolarHBondContact CZ-O 3.5Å; F93-A146 HydrophobicContact CD1-CB 4.32Å; F93-A146 HydrophobicContact CE1-CB 4.28Å; F93-Y149 HydrophobicContact CB-CD1 3.68Å; F93-Y149 HydrophobicContact CB-CE1 3.72Å; F93-Y149 HydrophobicContact CB-CG 4.09Å; F93-Y149 HydrophobicContact CD1-CD1 4.45Å; F93-Y149 HydrophobicContact CD1-CG 4.46Å; F93-Y149 AromaticContact CD2-CD1 3.94Å; F93-Y149 HydrophobicContact CD2-CD1 3.94Å; F93-Y149 AromaticContact CD2-CD2 3.57Å; F93-Y149 HydrophobicContact CD2-CD2 3.57Å; F93-Y149 HydrophobicContact CD2-CE1 4.49Å; F93-Y149 HydrophobicContact CD2-CE2 4.17Å; F93-Y149 AromaticContact CD2-CG 3.43Å; F93-Y149 HydrophobicContact CD2-CG 3.43Å; F93-Y149 VanDerWaalsContact CD2-CG 3.43Å; F93-Y149 HydrophobicContact CE2-CD2 4.09Å; F93-Y149 AromaticContact CE2-CG 3.92Å; F93-Y149 HydrophobicContact CE2-CG 3.92Å; F93-Y149 AromaticContact CG-CD1 3.78Å; F93-Y149 HydrophobicContact CG-CD1 3.78Å; F93-Y149 HydrophobicContact CG-CD2 4.26Å; F93-Y149 HydrophobicContact CG-CE1 4.3Å; F93-Y149 AromaticContact CG-CG 3.74Å; F93-Y149 HydrophobicContact CG-CG 3.74Å; F93-Y299 HydrophobicContact CD2-CE2 4.33Å; F93-Y299 HydrophobicContact CE2-CD2 4.08Å; F93-Y299 AromaticContact CE2-CE2 3.63Å; F93-Y299 HydrophobicContact CE2-CE2 3.63Å; F93-Y299 AromaticContact CZ-CD2 3.91Å; F93-Y299 HydrophobicContact CZ-CD2 3.91Å; F93-Y299 AromaticContact CZ-CE2 3.94Å; F93-Y299 HydrophobicContact CZ-CE2 3.94Å
94P94.7Very high96.9Very high34 Ų3422 Ų2222%0.22111%0.111CC..THydrogen-bonded Turntrans-56.5-27-170.2-29.736.5000116.2K174 Y299P94-K174 VanDerWaalsContact O-CE 3.29Å; P94-K174 WeakPolarHBondContact O-CE 2.83Å; P94-K174 PolarHBondContact O-NZ 3.48Å; P94-Y299 HydrophobicContact CG-CD2 4.13Å; P94-Y299 HydrophobicContact CG-CE2 3.63Å
95F97.2Very high96.9Very high0 Ų023.1 Ų23.10%012%0.117CC..THydrogen-bonded Turntrans-107.410.7-177.3-45.2-46.7000113.7F93 Q142 L145 Y172 L173 K174 I175 I298 K301F93-F95 HydrophobicContact CD1-CB 4.48Å; F93-F95 HydrophobicContact CD1-CD2 4.3Å; F93-F95 AromaticContact CE1-CD2 3.73Å; F93-F95 HydrophobicContact CE1-CD2 3.73Å; F93-F95 HydrophobicContact CE1-CE2 4.25Å; F93-F95 PolarHBondContact O-N 3.15Å; F95-Q142 HydrophobicContact CB-CB 4.49Å; F95-Q142 HydrophobicContact CD1-CB 4.27Å; F95-Q142 HydrophobicContact CD1-CG 4.15Å; F95-Q142 HydrophobicContact CD2-CB 3.73Å; F95-Q142 HydrophobicContact CD2-CG 4.16Å; F95-Q142 WeakPolarHBondContact CD2-O 3.43Å; F95-Q142 HydrophobicContact CE1-CG 3.99Å; F95-Q142 HydrophobicContact CE2-CB 4.01Å; F95-Q142 HydrophobicContact CE2-CG 3.99Å; F95-Q142 HydrophobicContact CG-CB 3.9Å; F95-Q142 HydrophobicContact CG-CG 4.25Å; F95-Q142 HydrophobicContact CZ-CB 4.4Å; F95-Q142 HydrophobicContact CZ-CG 3.91Å; F95-L145 HydrophobicContact CD2-CB 4.31Å; F95-L145 HydrophobicContact CE2-CB 4.07Å; F95-L145 HydrophobicContact CE2-CD1 3.81Å; F95-Y172 HydrophobicContact CD1-CD1 4.27Å; F95-Y172 AromaticContact CE1-CD1 3.6Å; F95-Y172 HydrophobicContact CE1-CD1 3.6Å; F95-Y172 HydrophobicContact CE1-CE1 4.07Å; F95-Y172 HydrophobicContact CZ-CD1 4.4Å; F95-Y172 HydrophobicContact CZ-CE1 4.49Å; F95-L173 VanDerWaalsContact CA-O 3.31Å; F95-L173 WeakPolarHBondContact CA-O 3.46Å; F95-K174 CarbonylContact O-C 3.51Å; F95-K174 WeakPolarHBondContact O-CA 3.34Å; F95-I175 WeakPolarHBondContact O-CG1 2.94Å; F95-I175 PolarHBondContact O-N 2.83Å; F95-I298 HydrophobicContact CE2-CG2 4.19Å; F95-I298 HydrophobicContact CZ-CG2 3.92Å; F95-I298 WeakPolarHBondContact CZ-O 3.23Å; F95-K301 HydrophobicContact CE1-CG 4.14Å
96L97.9Very high96.9Very high0 Ų025.2 Ų25.20%013%0.128CC..BIsolated β-bridgetrans-108.1148.4172.6-54.9-177.7000108.7I91 F93 A146 Y149 L150 K174 I175 F178I91-L96 HydrophobicContact CB-CD1 4.48Å; I91-L96 HydrophobicContact CD1-CB 4.47Å; I91-L96 HydrophobicContact CD1-CD1 3.95Å; F93-L96 HydrophobicContact CB-CB 4.37Å; F93-L96 HydrophobicContact CB-CD1 3.74Å; F93-L96 HydrophobicContact CB-CG 3.85Å; F93-L96 HydrophobicContact CD1-CG 4.33Å; F93-L96 PolarHBondContact O-N 3.27Å; L96-A146 HydrophobicContact CD2-CB 3.88Å; L96-Y149 HydrophobicContact CD1-CD1 3.76Å; L96-Y149 HydrophobicContact CD1-CE1 3.73Å; L96-L150 HydrophobicContact CD1-CD1 4.47Å; L96-L150 HydrophobicContact CD1-CD2 3.81Å; L96-L150 HydrophobicContact CD1-CG 4.11Å; L96-L150 HydrophobicContact CD2-CD1 4.43Å; L96-K174 WeakPolarHBondContact O-CD 3.41Å; L96-K174 PolarHBondContact O-NZ 3.34Å; L96-I175 HydrophobicContact CD2-CB 3.72Å; L96-I175 HydrophobicContact CD2-CD1 3.75Å; L96-I175 HydrophobicContact CD2-CG1 3.96Å; L96-I175 HydrophobicContact CD2-CG2 4.45Å; L96-F178 HydrophobicContact CB-CZ 4.39Å; L96-F178 HydrophobicContact CD1-CZ 4.27Å; L96-F178 HydrophobicContact CD2-CZ 4Å; L96-F178 HydrophobicContact CG-CZ 4.44Å
97V97.2Very high96.9Very high2 Ų222 Ų221%0.01212%0.118CC..PPolyproline II helixtrans-69130.6172.576.10000109.7L88 L113 E114 I175 F178L88-V97 HydrophobicContact CD2-CG1 4.07Å; V97-L113 HydrophobicContact CG1-CD2 4.48Å; V97-L113 HydrophobicContact CG2-CB 4.03Å; V97-E114 WeakPolarHBondContact CA-OE1 3.28Å; V97-E114 HydrophobicContact CG2-CG 3.57Å; V97-I175 WeakPolarHBondContact CB-O 3.48Å; V97-I175 WeakPolarHBondContact CG1-O 2.86Å; V97-I175 PolarHBondContact N-O 3.42Å; V97-F178 HydrophobicContact CG1-CE2 4.44Å
98N95.9Very high96.9Very high53 Ų5322.6 Ų22.628%0.28312%0.121SC..PPolyproline II helixtrans-90.1130.5178.6-68.9-29.9000110.4L113 E114N98-L113 CarbonylContact O-C 3.57Å; N98-L113 WeakPolarHBondContact O-CA 3.27Å; N98-E114 HydrophobicContact CB-CG 4.44Å; N98-E114 WeakPolarHBondContact CB-OE1 3.37Å; N98-E114 PolarHBondContact N-OE1 2.95Å; N98-E114 PolarHBondContact O-N 3.3Å
99M97.6Very high96.9Very high25 Ų2522.4 Ų22.412%0.12312%0.12CC..EExtended strand (participates in β ladder)trans-89.8119.9167.7-172.3174.376.600109.5K85 L88 Q89 M111 L113K85-M99 HydrophobicContact CG-CE 4.03Å; K85-M99 HydrophobicContact CG-SD 4.37Å; L88-M99 HydrophobicContact CB-CB 4.01Å; L88-M99 HydrophobicContact CB-CE 4.28Å; L88-M99 HydrophobicContact CB-SD 4.06Å; Q89-M99 HydrophobicContact CB-CE 3.48Å; Q89-M99 VanDerWaalsContact CB-CE 3.48Å; M99-M111 HydrophobicContact SD-CB 3.83Å; M99-M111 HydrophobicContact SD-CG 3.79Å; M99-M111 HydrophobicContact SD-SD 4.21Å; M99-L113 HydrophobicContact CB-CD2 3.68Å; M99-L113 HydrophobicContact CG-CD2 3.92Å
100T97Very high97Very high63 Ų6321.2 Ų21.239%0.38712%0.115SC..EExtended strand (participates in β ladder)trans-92.8-43-178.1-51.80000111.4Y62 V112Y62-T100 HydrophobicContact CE1-CG2 4.03Å; Y62-T100 WeakPolarHBondContact CE1-OG1 3.42Å; T100-V112 PolarHBondContact N-O 3.04Å
101F98.1Very high97Very high34 Ų3421.2 Ų21.215%0.14912%0.115CC..EExtended strand (participates in β ladder)trans-132153.5180-45.9-84.1000111.3T30 A31 F36 Y62 V112T30-F101 VanDerWaalsContact OG1-CA 3.32Å; T30-F101 WeakPolarHBondContact OG1-CA 3.3Å; A31-F101 HydrophobicContact CB-CB 3.93Å; A31-F101 HydrophobicContact CB-CD1 3.92Å; A31-F101 HydrophobicContact CB-CG 4.04Å; F36-F101 HydrophobicContact CE1-CD2 4.08Å; F36-F101 HydrophobicContact CE1-CE2 4.2Å; F36-F101 HydrophobicContact CZ-CB 4.45Å; F36-F101 AromaticContact CZ-CD2 3.68Å; F36-F101 HydrophobicContact CZ-CD2 3.68Å; F36-F101 HydrophobicContact CZ-CE2 4.08Å; F36-F101 HydrophobicContact CZ-CG 4.12Å; Y62-F101 HydrophobicContact CE1-CE2 4.35Å; Y62-F101 HydrophobicContact CE2-CE2 4.08Å; Y62-F101 AromaticContact CZ-CE2 3.91Å; F101-V112 HydrophobicContact CB-CB 3.87Å; F101-V112 HydrophobicContact CB-CG2 4.01Å; F101-V112 HydrophobicContact CD2-CB 4.03Å; F101-V112 HydrophobicContact CD2-CG1 3.88Å; F101-V112 HydrophobicContact CG-CB 4.47Å; F101-V112 PolarHBondContact N-O 3.13Å; F101-V112 PolarHBondContact O-N 3.35Å
102S98.2Very high97Very high3 Ų321 Ų212%0.02111%0.114CC..EExtended strand (participates in β ladder)trans-149.4138.1169.359.20000110.1N29 T30 K85 Y110N29-S102 WeakPolarHBondContact CA-O 3.29Å; N29-S102 PolarHBondContact N-O 2.84Å; T30-S102 PolarHBondContact N-O 3.28Å; T30-S102 PolarHBondContact OG1-N 3.02Å; T30-S102 PolarHBondContact OG1-O 3.49Å; K85-S102 WeakPolarHBondContact CE-OG 3.48Å; S102-Y110 VanDerWaalsContact CA-O 3.24Å; S102-Y110 WeakPolarHBondContact CA-O 3.46Å
103F98.2Very high97.1Very high4 Ų417.8 Ų17.82%0.01810%0.096CC..EExtended strand (participates in β ladder)trans-159.6173.4-178.856.8-87.9000110.3A31 L33 F36 M64 Y110 V112 F359A31-F103 HydrophobicContact CB-CD1 3.88Å; A31-F103 HydrophobicContact CB-CE1 4.08Å; A31-F103 WeakPolarHBondContact O-CB 3.23Å; A31-F103 VanDerWaalsContact O-CG 3.31Å; A31-F103 WeakPolarHBondContact O-CG 3.19Å; L33-F103 HydrophobicContact CB-CE2 4.01Å; L33-F103 HydrophobicContact CD1-CE2 4.42Å; L33-F103 HydrophobicContact CD1-CZ 4.46Å; L33-F103 VanDerWaalsContact N-CE2 3.32Å; F36-F103 HydrophobicContact CD2-CE1 4.37Å; F36-F103 HydrophobicContact CD2-CZ 4.29Å; F36-F103 AromaticContact CE2-CE1 3.73Å; F36-F103 HydrophobicContact CE2-CE1 3.73Å; F36-F103 HydrophobicContact CE2-CZ 4.1Å; M64-F103 HydrophobicContact CE-CE1 4.31Å; M64-F103 HydrophobicContact CE-CZ 3.81Å; M64-F103 HydrophobicContact SD-CZ 4.5Å; F103-Y110 AromaticContact CD2-CD2 3.34Å; F103-Y110 HydrophobicContact CD2-CD2 3.34Å; F103-Y110 HydrophobicContact CD2-CE2 4.08Å; F103-Y110 AromaticContact CD2-CG 3.72Å; F103-Y110 HydrophobicContact CD2-CG 3.72Å; F103-Y110 HydrophobicContact CE1-CG 4.42Å; F103-Y110 AromaticContact CE2-CD1 3.89Å; F103-Y110 HydrophobicContact CE2-CD1 3.89Å; F103-Y110 AromaticContact CE2-CD2 3.24Å; F103-Y110 HydrophobicContact CE2-CD2 3.24Å; F103-Y110 HydrophobicContact CE2-CE1 4.39Å; F103-Y110 AromaticContact CE2-CE2 3.81Å; F103-Y110 HydrophobicContact CE2-CE2 3.81Å; F103-Y110 AromaticContact CE2-CG 3.27Å; F103-Y110 HydrophobicContact CE2-CG 3.27Å; F103-Y110 HydrophobicContact CG-CD2 4.29Å; F103-Y110 HydrophobicContact CG-CG 4.45Å; F103-Y110 HydrophobicContact CZ-CD1 4.09Å; F103-Y110 HydrophobicContact CZ-CD2 4.13Å; F103-Y110 AromaticContact CZ-CG 3.69Å; F103-Y110 HydrophobicContact CZ-CG 3.69Å; F103-Y110 PolarHBondContact N-O 3.14Å; F103-Y110 VanDerWaalsContact N-O 3.1Å; F103-Y110 WeakPolarHBondContact O-CA 3.3Å; F103-Y110 WeakPolarHBondContact O-CB 3.29Å; F103-Y110 WeakPolarHBondContact O-CD2 3.45Å; F103-Y110 PolarHBondContact O-N 3.09Å; F103-V112 HydrophobicContact CE1-CG2 3.74Å; F103-F359 VanDerWaalsContact O-CE1 3.31Å; F103-F359 WeakPolarHBondContact O-CE1 3.37Å
104K97.3Very high97.2Very high33 Ų3319.5 Ų19.514%0.14311%0.105CC..EExtended strand (participates in β ladder)trans-139.4157.1177.255.7179.3166.5174.20110.2N108 L109 E353 F356 V357 F359K104-N108 WeakPolarHBondContact CA-O 3.46Å; K104-N108 WeakPolarHBondContact CB-O 3.47Å; K104-L109 HydrophobicContact CB-CD2 3.79Å; K104-E353 VanDerWaalsContact CE-OE1 3.31Å; K104-E353 WeakPolarHBondContact CE-OE1 3.22Å; K104-E353 IonicContact NZ-OE1 2.71Å; K104-E353 PolarHBondContact NZ-OE1 3.06Å; K104-F356 PolarHBondContact NZ-O 3.45Å; K104-V357 PolarHBondContact NZ-O 2.93Å; K104-F359 HydrophobicContact CB-CD1 4.35Å; K104-F359 WeakPolarHBondContact CE-OXT 3.45Å
105D96.4Very high97.2Very high30 Ų3019.2 Ų19.216%0.1610%0.1CC..  trans-124.4-164.5167.867.728.9000110.3K69 S107 N108 Y110 I346K69-D105 VanDerWaalsContact CE-O 3.28Å; K69-D105 WeakPolarHBondContact CE-O 3.44Å; K69-D105 PolarHBondContact NZ-O 3.43Å; D105-S107 PolarHBondContact O-N 2.91Å; D105-S107 WeakPolarHBondContact OD1-CA 3.49Å; D105-S107 PolarHBondContact OD1-N 3.21Å; D105-N108 PolarHBondContact N-O 3.27Å; D105-N108 PolarHBondContact OD1-N 3.2Å; D105-Y110 HydrophobicContact CB-CE2 4.19Å; D105-Y110 VanDerWaalsContact OD2-CE2 3.23Å; D105-Y110 WeakPolarHBondContact OD2-CE2 3.47Å; D105-Y110 VanDerWaalsContact OD2-CZ 3.25Å; D105-Y110 PolarHBondContact OD2-OH 3.17Å; D105-I346 HydrophobicContact CB-CG2 4.17Å; D105-I346 WeakPolarHBondContact OD2-CD1 3.4Å; D105-I346 WeakPolarHBondContact OD2-CG1 3.41Å
106N96.7Very high97.1Very high47 Ų4719.6 Ų19.625%0.25110%0.102SC..SBendtrans-61.3-25.3-179.5-72.1-16.9000114.1I346 A347 A348 P350 Q351N106-I346 HydrophobicContact CB-CG2 3.97Å; N106-A347 HydrophobicContact CB-CB 4.33Å; N106-A347 WeakPolarHBondContact CB-O 3.29Å; N106-A347 PolarHBondContact ND2-O 3.3Å; N106-A348 PolarHBondContact ND2-O 2.64Å; N106-P350 WeakPolarHBondContact OD1-CA 3.4Å; N106-P350 WeakPolarHBondContact OD1-CG 3.34Å; N106-Q351 WeakPolarHBondContact O-CB 3.4Å; N106-Q351 WeakPolarHBondContact O-CG 3.21Å; N106-Q351 PolarHBondContact O-N 2.85Å
107S96Very high96.7Very high12 Ų1220.1 Ų20.18%0.08411%0.106CC..SBendtrans-120.9-29.4-172.4-70.30000114.6K69 D105 A347K69-S107 VanDerWaalsContact CB-O 3.28Å; K69-S107 WeakPolarHBondContact CB-O 3.13Å; K69-S107 VanDerWaalsContact CG-O 3.31Å; K69-S107 WeakPolarHBondContact CG-O 3.4Å; K69-S107 PolarHBondContact N-O 3.42Å; D105-S107 PolarHBondContact O-N 2.91Å; D105-S107 WeakPolarHBondContact OD1-CA 3.49Å; D105-S107 PolarHBondContact OD1-N 3.21Å; S107-A347 VanDerWaalsContact OG-CB 3.23Å; S107-A347 WeakPolarHBondContact OG-CB 3.47Å; S107-A347 PolarHBondContact OG-N 3.41Å
108N96.9Very high96.2Very high13 Ų1320 Ų207%0.0711%0.105CC..EExtended strand (participates in β ladder)trans-129.9157.4-166-57.5-69.3000112.7I66 L67 K104 D105 Y110 F344I66-N108 HydrophobicContact CG2-CB 4.06Å; L67-N108 CarbonylContact O-C 3.52Å; L67-N108 VanDerWaalsContact O-CA 3.24Å; L67-N108 WeakPolarHBondContact O-CA 3.42Å; K104-N108 WeakPolarHBondContact CA-O 3.46Å; K104-N108 WeakPolarHBondContact CB-O 3.47Å; D105-N108 PolarHBondContact N-O 3.27Å; D105-N108 PolarHBondContact OD1-N 3.2Å; N108-Y110 HydrophobicContact CB-CD2 4.49Å; N108-Y110 HydrophobicContact CB-CE1 4.25Å; N108-Y110 HydrophobicContact CB-CE2 3.72Å; N108-F344 VanDerWaalsContact ND2-CE2 3.33Å; N108-F344 WeakPolarHBondContact ND2-CE2 3.08Å
109L97.4Very high95.9Very high0 Ų017.5 Ų17.50%09%0.091CC..EExtended strand (participates in β ladder)trans-110.4139.7168.4-49.2172.3000108.5L67 K69 T81 K104 F356 F359L67-L109 HydrophobicContact CB-CB 4.27Å; L67-L109 PolarHBondContact N-O 3.1Å; L67-L109 PolarHBondContact O-N 2.83Å; K69-L109 HydrophobicContact CD-CD2 4.36Å; K69-L109 HydrophobicContact CG-CD2 3.94Å; K69-L109 HydrophobicContact CG-CG 3.92Å; T81-L109 HydrophobicContact CG2-CD1 3.74Å; K104-L109 HydrophobicContact CB-CD2 3.79Å; L109-F356 HydrophobicContact CD1-CD1 3.54Å; L109-F356 HydrophobicContact CD1-CE1 3.55Å; L109-F356 HydrophobicContact CD1-CG 4.12Å; L109-F356 HydrophobicContact CD1-CZ 4.12Å; L109-F356 HydrophobicContact CD2-CB 3.98Å; L109-F356 HydrophobicContact CD2-CD1 4.15Å; L109-F356 HydrophobicContact CD2-CD2 4.46Å; L109-F356 HydrophobicContact CD2-CG 3.95Å; L109-F356 HydrophobicContact CG-CD1 4.44Å; L109-F359 HydrophobicContact CB-CD1 4.34Å; L109-F359 HydrophobicContact CB-CD2 4.24Å; L109-F359 HydrophobicContact CB-CE1 3.92Å; L109-F359 HydrophobicContact CB-CE2 3.8Å; L109-F359 HydrophobicContact CB-CZ 3.62Å; L109-F359 HydrophobicContact CD1-CD2 3.89Å; L109-F359 HydrophobicContact CD1-CE2 4Å; L109-F359 HydrophobicContact CD1-CG 4.47Å; L109-F359 HydrophobicContact CD2-CB 4.3Å; L109-F359 HydrophobicContact CD2-CD1 4.05Å; L109-F359 HydrophobicContact CD2-CD2 4.16Å; L109-F359 HydrophobicContact CD2-CE1 4.46Å; L109-F359 HydrophobicContact CD2-CG 3.89Å; L109-F359 HydrophobicContact CG-CD2 4.32Å; L109-F359 HydrophobicContact CG-CE2 4.33Å
110Y98Very high95.6Very high0 Ų019.3 Ų19.30%010%0.1CC..EExtended strand (participates in β ladder)trans-124.9125.9-174.7-57.5-88.9000110.7L33 M64 K65 I66 S102 F103 D105 N108 F344L33-Y110 HydrophobicContact CD1-CD1 4.28Å; L33-Y110 HydrophobicContact CD1-CE1 3.73Å; M64-Y110 HydrophobicContact CG-CD1 4.12Å; M64-Y110 HydrophobicContact SD-CD1 3.71Å; M64-Y110 HydrophobicContact SD-CE1 4.22Å; K65-Y110 WeakPolarHBondContact O-CA 3.33Å; I66-Y110 HydrophobicContact CB-CD1 4.4Å; I66-Y110 HydrophobicContact CB-CE1 4.34Å; I66-Y110 HydrophobicContact CD1-CE1 4.35Å; I66-Y110 HydrophobicContact CG1-CD1 3.93Å; I66-Y110 HydrophobicContact CG1-CE1 3.98Å; I66-Y110 HydrophobicContact CG2-CD1 4.15Å; I66-Y110 HydrophobicContact CG2-CE1 3.69Å; S102-Y110 VanDerWaalsContact CA-O 3.24Å; S102-Y110 WeakPolarHBondContact CA-O 3.46Å; F103-Y110 AromaticContact CD2-CD2 3.34Å; F103-Y110 HydrophobicContact CD2-CD2 3.34Å; F103-Y110 HydrophobicContact CD2-CE2 4.08Å; F103-Y110 AromaticContact CD2-CG 3.72Å; F103-Y110 HydrophobicContact CD2-CG 3.72Å; F103-Y110 HydrophobicContact CE1-CG 4.42Å; F103-Y110 AromaticContact CE2-CD1 3.89Å; F103-Y110 HydrophobicContact CE2-CD1 3.89Å; F103-Y110 AromaticContact CE2-CD2 3.24Å; F103-Y110 HydrophobicContact CE2-CD2 3.24Å; F103-Y110 HydrophobicContact CE2-CE1 4.39Å; F103-Y110 AromaticContact CE2-CE2 3.81Å; F103-Y110 HydrophobicContact CE2-CE2 3.81Å; F103-Y110 AromaticContact CE2-CG 3.27Å; F103-Y110 HydrophobicContact CE2-CG 3.27Å; F103-Y110 HydrophobicContact CG-CD2 4.29Å; F103-Y110 HydrophobicContact CG-CG 4.45Å; F103-Y110 HydrophobicContact CZ-CD1 4.09Å; F103-Y110 HydrophobicContact CZ-CD2 4.13Å; F103-Y110 AromaticContact CZ-CG 3.69Å; F103-Y110 HydrophobicContact CZ-CG 3.69Å; F103-Y110 PolarHBondContact N-O 3.14Å; F103-Y110 VanDerWaalsContact N-O 3.1Å; F103-Y110 WeakPolarHBondContact O-CA 3.3Å; F103-Y110 WeakPolarHBondContact O-CB 3.29Å; F103-Y110 WeakPolarHBondContact O-CD2 3.45Å; F103-Y110 PolarHBondContact O-N 3.09Å; D105-Y110 HydrophobicContact CB-CE2 4.19Å; D105-Y110 VanDerWaalsContact OD2-CE2 3.23Å; D105-Y110 WeakPolarHBondContact OD2-CE2 3.47Å; D105-Y110 VanDerWaalsContact OD2-CZ 3.25Å; D105-Y110 PolarHBondContact OD2-OH 3.17Å; N108-Y110 HydrophobicContact CB-CD2 4.49Å; N108-Y110 HydrophobicContact CB-CE1 4.25Å; N108-Y110 HydrophobicContact CB-CE2 3.72Å; Y110-F344 HydrophobicContact CE1-CE2 4.45Å; Y110-F344 AromaticContact CE1-CZ 3.92Å; Y110-F344 HydrophobicContact CE1-CZ 3.92Å; Y110-F344 WeakPolarHBondContact OH-CE2 3.35Å; Y110-F344 VanDerWaalsContact OH-CZ 3.32Å; Y110-F344 WeakPolarHBondContact OH-CZ 3.37Å
111M98Very high95.5Very high1 Ų116.3 Ų16.31%0.0058%0.081CC..EExtended strand (participates in β ladder)trans-118.9116.6167.1-64.1-178.7-84.500108.3K65 L67 E84 K85 L88 M99 F359K65-M111 HydrophobicContact CB-CB 4.37Å; K65-M111 HydrophobicContact CD-CE 3.81Å; K65-M111 HydrophobicContact CG-CE 4.31Å; K65-M111 PolarHBondContact N-O 3.33Å; K65-M111 PolarHBondContact O-N 3.05Å; L67-M111 HydrophobicContact CD1-CE 3.56Å; E84-M111 HydrophobicContact CG-CE 4.36Å; E84-M111 HydrophobicContact CG-SD 4.3Å; K85-M111 HydrophobicContact CB-SD 3.91Å; K85-M111 HydrophobicContact CG-CG 4.43Å; K85-M111 HydrophobicContact CG-SD 4.4Å; L88-M111 HydrophobicContact CD1-SD 4Å; M99-M111 HydrophobicContact SD-CB 3.83Å; M99-M111 HydrophobicContact SD-CG 3.79Å; M99-M111 HydrophobicContact SD-SD 4.21Å; M111-F359 HydrophobicContact CG-CE2 4.42Å; M111-F359 HydrophobicContact CG-CZ 3.8Å
112V98.1Very high95.2Very high0 Ų017.6 Ų17.60%09%0.087CC..EExtended strand (participates in β ladder)trans-100103.7-178.5-172.90000108.7F36 Y62 M64 T100 F101 F103F36-V112 HydrophobicContact CE1-CG1 3.95Å; F36-V112 HydrophobicContact CE1-CG2 4.49Å; F36-V112 HydrophobicContact CE2-CG2 4.34Å; F36-V112 HydrophobicContact CZ-CG1 4.2Å; F36-V112 HydrophobicContact CZ-CG2 4.04Å; Y62-V112 HydrophobicContact CD1-CG1 3.98Å; Y62-V112 HydrophobicContact CD2-CG1 4.29Å; Y62-V112 HydrophobicContact CG-CG1 3.64Å; M64-V112 HydrophobicContact CE-CG2 3.89Å; M64-V112 HydrophobicContact CG-CG2 4.2Å; T100-V112 PolarHBondContact N-O 3.04Å; F101-V112 HydrophobicContact CB-CB 3.87Å; F101-V112 HydrophobicContact CB-CG2 4.01Å; F101-V112 HydrophobicContact CD2-CB 4.03Å; F101-V112 HydrophobicContact CD2-CG1 3.88Å; F101-V112 HydrophobicContact CG-CB 4.47Å; F101-V112 PolarHBondContact N-O 3.13Å; F101-V112 PolarHBondContact O-N 3.35Å; F103-V112 HydrophobicContact CE1-CG2 3.74Å
113L97.6Very high94.8Very high12 Ų1219.4 Ų19.46%0.06310%0.1CC..EExtended strand (participates in β ladder)trans-97.5155.5-175.9-54.2173.7000110.5Y62 A63 L88 V97 N98 M99 F115Y62-L113 WeakPolarHBondContact CA-O 3.28Å; Y62-L113 WeakPolarHBondContact CB-O 3.25Å; Y62-L113 WeakPolarHBondContact CD1-O 3.5Å; A63-L113 HydrophobicContact CB-CB 4.48Å; A63-L113 PolarHBondContact N-O 3.26Å; A63-L113 WeakPolarHBondContact O-CB 3.29Å; A63-L113 PolarHBondContact O-N 2.89Å; L88-L113 HydrophobicContact CD1-CD2 4.16Å; V97-L113 HydrophobicContact CG1-CD2 4.48Å; V97-L113 HydrophobicContact CG2-CB 4.03Å; N98-L113 CarbonylContact O-C 3.57Å; N98-L113 WeakPolarHBondContact O-CA 3.27Å; M99-L113 HydrophobicContact CB-CD2 3.68Å; M99-L113 HydrophobicContact CG-CD2 3.92Å; L113-F115 PolarHBondContact O-N 2.84Å
114E96.1Very high94.4Very high44 Ų4419.4 Ų19.421%0.20610%0.099CC..EExtended strand (participates in β ladder)trans-55.2138.7167.465.9-179.9130.100110.8V97 N98 I116 K174V97-E114 WeakPolarHBondContact CA-OE1 3.28Å; V97-E114 HydrophobicContact CG2-CG 3.57Å; N98-E114 HydrophobicContact CB-CG 4.44Å; N98-E114 WeakPolarHBondContact CB-OE1 3.37Å; N98-E114 PolarHBondContact N-OE1 2.95Å; N98-E114 PolarHBondContact O-N 3.3Å; E114-I116 HydrophobicContact CG-CD1 3.74Å; E114-I116 HydrophobicContact CG-CG1 4.33Å; E114-K174 VanDerWaalsContact CD-NZ 3.35Å; E114-K174 WeakPolarHBondContact OE1-CE 3.22Å; E114-K174 IonicContact OE1-NZ 2.77Å; E114-K174 PolarHBondContact OE1-NZ 3.17Å; E114-K174 WeakPolarHBondContact OE2-CE 2.94Å; E114-K174 IonicContact OE2-NZ 3.84Å; E114-K174 PolarHBondContact OE2-NZ 2.81Å
115F96Very high94.2Very high27 Ų2717.8 Ų17.812%0.1189%0.093CC..PPolyproline II helixtrans-84.7122.6177.5175.4-121.1000110.6L42 L52 A63 L113 P328 D330 T331 F334L42-F115 HydrophobicContact CD1-CD2 3.86Å; L42-F115 HydrophobicContact CD1-CE2 3.7Å; L42-F115 HydrophobicContact CD2-CE2 4.02Å; L52-F115 HydrophobicContact CD1-CB 4.4Å; L52-F115 HydrophobicContact CD1-CD1 3.79Å; L52-F115 HydrophobicContact CD1-CD2 3.84Å; L52-F115 HydrophobicContact CD1-CE1 3.95Å; L52-F115 HydrophobicContact CD1-CE2 4.01Å; L52-F115 HydrophobicContact CD1-CG 3.73Å; L52-F115 HydrophobicContact CD1-CZ 4.07Å; A63-F115 HydrophobicContact CB-CD2 4.44Å; L113-F115 PolarHBondContact O-N 2.84Å; F115-P328 WeakPolarHBondContact CD1-O 3.31Å; F115-P328 WeakPolarHBondContact CE1-O 3.23Å; F115-D330 VanDerWaalsContact CZ-O 3.3Å; F115-D330 WeakPolarHBondContact CZ-O 3.4Å; F115-T331 HydrophobicContact CE2-CG2 4.37Å; F115-T331 HydrophobicContact CZ-CG2 3.83Å; F115-F334 HydrophobicContact CD2-CZ 4.42Å; F115-F334 AromaticContact CE2-CE2 3.58Å; F115-F334 HydrophobicContact CE2-CE2 3.58Å; F115-F334 AromaticContact CE2-CZ 3.56Å; F115-F334 HydrophobicContact CE2-CZ 3.56Å; F115-F334 AromaticContact CZ-CE2 3.79Å; F115-F334 HydrophobicContact CZ-CE2 3.79Å; F115-F334 HydrophobicContact CZ-CZ 4.24Å
116I94.4Very high94Very high9 Ų921.7 Ų21.75%0.04611%0.105CC..  trans-108.199.7179.1-52-53.7000109.3E114 G118 L166 I167 D168 K174 F334E114-I116 HydrophobicContact CG-CD1 3.74Å; E114-I116 HydrophobicContact CG-CG1 4.33Å; I116-G118 VanDerWaalsContact C-N 3.31Å; I116-G118 PolarHBondContact O-N 2.87Å; I116-L166 HydrophobicContact CB-CB 3.91Å; I116-L166 HydrophobicContact CB-CD1 3.88Å; I116-L166 HydrophobicContact CG1-CB 4.39Å; I116-L166 HydrophobicContact CG1-CD1 4.09Å; I116-L166 HydrophobicContact CG2-CB 3.58Å; I116-I167 VanDerWaalsContact CG2-O 3.24Å; I116-I167 WeakPolarHBondContact CG2-O 3.18Å; I116-D168 HydrophobicContact CG2-CB 4.08Å; I116-K174 HydrophobicContact CD1-CB 4.23Å; I116-K174 HydrophobicContact CD1-CD 4.31Å; I116-K174 HydrophobicContact CD1-CG 3.68Å; I116-K174 HydrophobicContact CG1-CB 3.94Å; I116-K174 HydrophobicContact CG1-CG 3.97Å; I116-K174 HydrophobicContact CG2-CB 4.49Å; I116-F334 VanDerWaalsContact O-CZ 3.27Å; I116-F334 WeakPolarHBondContact O-CZ 3.41Å
117S89.5Confident93.5Very high11 Ų1124.8 Ų24.88%0.07711%0.113CC..THydrogen-bonded Turntrans-72.2-17.1-167.653.60000115.5G119 V325 H333S117-G119 VanDerWaalsContact C-N 3.28Å; S117-G119 PolarHBondContact O-N 2.9Å; S117-V325 WeakPolarHBondContact OG-CG1 3.32Å; S117-V325 WeakPolarHBondContact OG-CG2 3.31Å; S117-H333 PolarHBondContact O-CD2 2.87Å
118G86.9Confident93.1Very high0 Ų026.3 Ų26.30%012%0.12CC..THydrogen-bonded Turntrans-80.2-4-175.500000115.1I116 H124 I167 H333I116-G118 VanDerWaalsContact C-N 3.31Å; I116-G118 PolarHBondContact O-N 2.87Å; G118-H124 PolarHBondContact O-NE2 3.21Å; G118-I167 CarbonylContact C-O 3.46Å; G118-I167 WeakPolarHBondContact CA-O 3.27Å; G118-I167 PolarHBondContact N-O 2.71Å; G118-I167 VanDerWaalsContact N-O 3.14Å; G118-H333 WeakPolarHBondContact O-CB 3.32Å
119G89.1Confident92.9Very high0 Ų027.4 Ų27.40%014%0.135CC..  trans74.3-172.2175.400000114.1S117 L166 I167S117-G119 VanDerWaalsContact C-N 3.28Å; S117-G119 PolarHBondContact O-N 2.9Å; G119-L166 CarbonylContact O-C 3.43Å; G119-L166 WeakPolarHBondContact O-CA 3.19Å; G119-I167 PolarHBondContact O-N 3.43Å
120E92.1Very high92.7Very high63 Ų6332.6 Ų32.629%0.29415%0.154SC..BIsolated β-bridgetrans-78.6138.2-172.3-61.7168.5-171.500112.6F122 S123 H124 L166E120-F122 HydrophobicContact CB-CB 4.35Å; E120-F122 PolarHBondContact O-N 2.86Å; E120-S123 PolarHBondContact O-N 3.36Å; E120-H124 PolarHBondContact O-CD2 3.29Å; E120-H124 PolarHBondContact O-N 3.26Å; E120-L166 HydrophobicContact CG-CD2 3.83Å
121M93.9Very high92.5Very high0 Ų032.6 Ų32.60%015%0.154CC..Hα-helixtrans-55.1-34.9171.2177.6-173.4-70.800111S123 H124 L125 F131 Y139 P162 L165 L173 L220 M224M121-S123 PolarHBondContact O-N 3.02Å; M121-H124 PolarHBondContact O-N 2.98Å; M121-L125 WeakPolarHBondContact O-CB 3.42Å; M121-L125 PolarHBondContact O-N 3.48Å; M121-F131 HydrophobicContact CG-CE2 3.91Å; M121-F131 HydrophobicContact CG-CZ 4.1Å; M121-F131 HydrophobicContact SD-CE2 4.1Å; M121-Y139 HydrophobicContact CE-CD1 4.16Å; M121-Y139 HydrophobicContact CE-CD2 3.95Å; M121-Y139 HydrophobicContact CE-CG 3.76Å; M121-P162 HydrophobicContact CB-CB 4.35Å; M121-P162 HydrophobicContact CG-CB 4.29Å; M121-P162 PolarHBondContact N-O 3.3Å; M121-P162 HydrophobicContact SD-CB 4.44Å; M121-L165 HydrophobicContact CB-CB 3.97Å; M121-L165 WeakPolarHBondContact CB-O 3.45Å; M121-L165 HydrophobicContact CE-CB 4.29Å; M121-L165 HydrophobicContact CE-CD1 3.81Å; M121-L165 PolarHBondContact N-O 3.36Å; M121-L165 HydrophobicContact SD-CD1 3.84Å; M121-L173 HydrophobicContact CE-CD1 3.76Å; M121-L173 HydrophobicContact CE-CD2 3.43Å; M121-L173 VanDerWaalsContact CE-CD2 3.43Å; M121-L173 HydrophobicContact CE-CG 4.23Å; M121-L220 HydrophobicContact SD-CD1 4.41Å; M121-M224 HydrophobicContact CE-SD 4.06Å; M121-M224 HydrophobicContact SD-CG 4.12Å; M121-M224 HydrophobicContact SD-SD 3.78Å
122F93.2Very high92.2Very high61 Ų6134.9 Ų34.927%0.26817%0.17SC..Hα-helixtrans-51-54.4176.8-178.5-94.9000112.3E120 H124 L125 R126 P162 E163E120-F122 HydrophobicContact CB-CB 4.35Å; E120-F122 PolarHBondContact O-N 2.86Å; F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-N 3.23Å; F122-L125 PolarHBondContact O-N 3.07Å; F122-R126 HydrophobicContact CD1-CG 4.2Å; F122-R126 HydrophobicContact CD2-CG 4.46Å; F122-R126 HydrophobicContact CE1-CG 3.88Å; F122-R126 HydrophobicContact CE2-CG 4.17Å; F122-R126 HydrophobicContact CG-CG 4.48Å; F122-R126 HydrophobicContact CZ-CG 3.87Å; F122-R126 WeakPolarHBondContact O-CB 3.3Å; F122-R126 VanDerWaalsContact O-CG 3.29Å; F122-R126 WeakPolarHBondContact O-CG 3.42Å; F122-R126 PolarHBondContact O-N 3.33Å; F122-P162 HydrophobicContact CB-CB 3.82Å; F122-P162 HydrophobicContact CD2-CB 4.27Å; F122-P162 PolarHBondContact N-O 2.87Å; F122-P162 VanDerWaalsContact N-O 3.17Å; F122-E163 HydrophobicContact CB-CG 3.95Å; F122-E163 HydrophobicContact CD2-CG 3.85Å; F122-E163 HydrophobicContact CG-CG 3.89Å
123S89.8Confident92.1Very high41 Ų4136.3 Ų36.329%0.28718%0.177SC..Hα-helixtrans-60.1-41.4-180-66.30000111.8E120 M121 R127E120-S123 PolarHBondContact O-N 3.36Å; M121-S123 PolarHBondContact O-N 3.02Å; S123-R127 VanDerWaalsContact O-CB 3.24Å; S123-R127 WeakPolarHBondContact O-CB 3.44Å; S123-R127 PolarHBondContact O-N 3.5Å
124H89Confident91.9Very high3 Ų338.3 Ų38.31%0.01419%0.19CC..Hα-helixtrans-65.9-45.9176.7-67.6-62.8000112.8G118 E120 M121 F122 R127 I128 I167 A320G118-H124 PolarHBondContact O-NE2 3.21Å; E120-H124 PolarHBondContact O-CD2 3.29Å; E120-H124 PolarHBondContact O-N 3.26Å; M121-H124 PolarHBondContact O-N 2.98Å; F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-N 3.23Å; H124-R127 PolarHBondContact CE1-NH2 3.19Å; H124-R127 VanDerWaalsContact CE1-NH2 3.31Å; H124-R127 PolarHBondContact ND1-NH2 2.97Å; H124-R127 PolarHBondContact O-N 3.29Å; H124-I128 WeakPolarHBondContact O-CG1 3.43Å; H124-I128 PolarHBondContact O-N 3.31Å; H124-I167 HydrophobicContact CB-CD1 4.41Å; H124-A320 HydrophobicContact CB-CB 4.14Å; H124-A320 WeakPolarHBondContact CB-O 3.37Å; H124-A320 VanDerWaalsContact ND1-CA 3.31Å; H124-A320 WeakPolarHBondContact ND1-CA 3.13Å; H124-A320 PolarHBondContact ND1-O 3.49Å; H124-A320 VanDerWaalsContact ND1-O 3.15Å
125L92.2Very high91.7Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-63.3-46.3179.618060.4000111M121 F122 R127 I128 G129 F131 P162 E223M121-L125 WeakPolarHBondContact O-CB 3.42Å; M121-L125 PolarHBondContact O-N 3.48Å; F122-L125 PolarHBondContact O-N 3.07Å; L125-R127 VanDerWaalsContact C-N 3.34Å; L125-R127 PolarHBondContact O-N 3.28Å; L125-I128 PolarHBondContact O-N 2.6Å; L125-G129 CarbonylContact O-C 3.46Å; L125-G129 WeakPolarHBondContact O-CA 3.5Å; L125-G129 PolarHBondContact O-N 2.93Å; L125-F131 HydrophobicContact CB-CE1 4.21Å; L125-F131 HydrophobicContact CB-CE2 4.45Å; L125-F131 HydrophobicContact CB-CZ 3.91Å; L125-F131 HydrophobicContact CD1-CD1 3.96Å; L125-F131 HydrophobicContact CD1-CD2 4.19Å; L125-F131 HydrophobicContact CD1-CE1 3.97Å; L125-F131 HydrophobicContact CD1-CE2 4.22Å; L125-F131 HydrophobicContact CD1-CG 4.06Å; L125-F131 HydrophobicContact CD1-CZ 4.11Å; L125-P162 HydrophobicContact CD2-CG 4.36Å; L125-E223 HydrophobicContact CD2-CG 3.83Å
126R92.1Very high91.7Very high111 Ų11135.2 Ų35.242%0.41918%0.176SC..Hα-helixtrans-62.5-40.4177.6-68.2-68.7168.4-142.3-9.1112F122 G129 E223 G227F122-R126 HydrophobicContact CD1-CG 4.2Å; F122-R126 HydrophobicContact CD2-CG 4.46Å; F122-R126 HydrophobicContact CE1-CG 3.88Å; F122-R126 HydrophobicContact CE2-CG 4.17Å; F122-R126 HydrophobicContact CG-CG 4.48Å; F122-R126 HydrophobicContact CZ-CG 3.87Å; F122-R126 WeakPolarHBondContact O-CB 3.3Å; F122-R126 VanDerWaalsContact O-CG 3.29Å; F122-R126 WeakPolarHBondContact O-CG 3.42Å; F122-R126 PolarHBondContact O-N 3.33Å; R126-G129 PolarHBondContact O-N 3.17Å; R126-E223 IonicContact CZ-OE1 3.69Å; R126-E223 IonicContact NH2-OE1 2.67Å; R126-E223 PolarHBondContact NH2-OE1 2.86Å; R126-G227 PolarHBondContact NH1-O 3.47Å
127R87.9Confident91.8Very high113 Ų11336.9 Ų36.943%0.42618%0.182SC..Hα-helixtrans-67.1-39.7178-178.1172.260.8179.20.6113.3S123 H124 L125 E319 A320S123-R127 VanDerWaalsContact O-CB 3.24Å; S123-R127 WeakPolarHBondContact O-CB 3.44Å; S123-R127 PolarHBondContact O-N 3.5Å; H124-R127 PolarHBondContact CE1-NH2 3.19Å; H124-R127 VanDerWaalsContact CE1-NH2 3.31Å; H124-R127 PolarHBondContact ND1-NH2 2.97Å; H124-R127 PolarHBondContact O-N 3.29Å; L125-R127 VanDerWaalsContact C-N 3.34Å; L125-R127 PolarHBondContact O-N 3.28Å; R127-E319 PolarHBondContact NH2-O 2.98Å; R127-A320 VanDerWaalsContact NH2-CA 3.33Å
128I87.3Confident92.1Very high43 Ų4336.9 Ų36.922%0.22118%0.181CC..Hα-helixtrans-79.4-27.8177.7-62.2166.2000111.4H124 L125 R130 F131 L317 A320H124-I128 WeakPolarHBondContact O-CG1 3.43Å; H124-I128 PolarHBondContact O-N 3.31Å; L125-I128 PolarHBondContact O-N 2.6Å; I128-R130 VanDerWaalsContact C-N 3.35Å; I128-R130 VanDerWaalsContact CG2-O 3.3Å; I128-R130 WeakPolarHBondContact CG2-O 3.32Å; I128-R130 PolarHBondContact O-N 2.96Å; I128-F131 HydrophobicContact CD1-CD1 3.89Å; I128-F131 HydrophobicContact CD1-CE1 3.54Å; I128-L317 HydrophobicContact CD1-CD1 3.81Å; I128-L317 HydrophobicContact CG1-CD1 4.49Å; I128-L317 HydrophobicContact CG2-CD1 3.94Å; I128-A320 HydrophobicContact CD1-CB 3.19Å; I128-A320 HydrophobicContact CG1-CB 3.44Å; I128-A320 VanDerWaalsContact CG1-CB 3.44Å
129G92.6Very high92.5Very high37 Ų3736.9 Ų36.938%0.38118%0.181SC..SBendtrans93.7-55-171.800000111.4L125 R126 G227L125-G129 CarbonylContact O-C 3.46Å; L125-G129 WeakPolarHBondContact O-CA 3.5Å; L125-G129 PolarHBondContact O-N 2.93Å; R126-G129 PolarHBondContact O-N 3.17Å; G129-G227 WeakPolarHBondContact O-CA 3.41Å
130R93.3Very high93Very high108 Ų10836.9 Ų36.941%0.40818%0.181SC..  trans-156.1151.2173.369.6-170.2-177.392.3-3.3112.1I128 A225 H253I128-R130 VanDerWaalsContact C-N 3.35Å; I128-R130 VanDerWaalsContact CG2-O 3.3Å; I128-R130 WeakPolarHBondContact CG2-O 3.32Å; I128-R130 PolarHBondContact O-N 2.96Å; R130-A225 WeakPolarHBondContact CD-O 3.41Å; R130-H253 PolarHBondContact NH1-CD2 3.49Å; R130-H253 PolarHBondContact NH1-NE2 2.93Å; R130-H253 VanDerWaalsContact NH1-NE2 3.12Å
131F92.6Very high93.2Very high1 Ų133.9 Ų33.90%0.00417%0.167CC..  trans-81.2150.4169.2-59.8-20.9000110.9M121 L125 I128 H135 Y139 M224M121-F131 HydrophobicContact CG-CE2 3.91Å; M121-F131 HydrophobicContact CG-CZ 4.1Å; M121-F131 HydrophobicContact SD-CE2 4.1Å; L125-F131 HydrophobicContact CB-CE1 4.21Å; L125-F131 HydrophobicContact CB-CE2 4.45Å; L125-F131 HydrophobicContact CB-CZ 3.91Å; L125-F131 HydrophobicContact CD1-CD1 3.96Å; L125-F131 HydrophobicContact CD1-CD2 4.19Å; L125-F131 HydrophobicContact CD1-CE1 3.97Å; L125-F131 HydrophobicContact CD1-CE2 4.22Å; L125-F131 HydrophobicContact CD1-CG 4.06Å; L125-F131 HydrophobicContact CD1-CZ 4.11Å; I128-F131 HydrophobicContact CD1-CD1 3.89Å; I128-F131 HydrophobicContact CD1-CE1 3.54Å; F131-H135 HydrophobicContact CB-CB 4.04Å; F131-Y139 AromaticContact CD2-CD2 3.87Å; F131-Y139 HydrophobicContact CD2-CD2 3.87Å; F131-Y139 HydrophobicContact CD2-CE2 4.01Å; F131-Y139 AromaticContact CE2-CD2 3.78Å; F131-Y139 HydrophobicContact CE2-CD2 3.78Å; F131-Y139 AromaticContact CE2-CE2 3.71Å; F131-Y139 HydrophobicContact CE2-CE2 3.71Å; F131-Y139 HydrophobicContact CZ-CE2 4.27Å; F131-M224 HydrophobicContact CD2-CB 3.9Å; F131-M224 HydrophobicContact CD2-CG 3.86Å; F131-M224 HydrophobicContact CD2-SD 4Å; F131-M224 HydrophobicContact CE2-CG 4.16Å; F131-M224 HydrophobicContact CE2-SD 4.23Å; F131-M224 PolarHBondContact N-O 2.92Å
132S92.6Very high93.4Very high48 Ų4833.9 Ų33.934%0.33617%0.167SC..  trans-73.4156.6168.271.10000110.1P134 H135 S136S132-P134 VanDerWaalsContact C-N 3.33Å; S132-H135 WeakPolarHBondContact O-CB 3.13Å; S132-H135 PolarHBondContact O-N 3.49Å; S132-H135 PolarHBondContact OG-ND1 2.73Å; S132-S136 PolarHBondContact O-N 3.08Å; S132-S136 PolarHBondContact O-OG 2.96Å
133E95.3Very high93.7Very high30 Ų3031 Ų3114%0.1415%0.154CC..Hα-helixtrans-55.2-39.3-177.8-63.9-167-156.500114.4H135 S136 R137 S255 L258 W289E133-H135 VanDerWaalsContact C-N 3.33Å; E133-H135 PolarHBondContact O-N 2.98Å; E133-S136 PolarHBondContact O-N 2.75Å; E133-R137 WeakPolarHBondContact O-CB 3.4Å; E133-R137 PolarHBondContact O-N 3.23Å; E133-S255 VanDerWaalsContact CD-OG 3.32Å; E133-S255 WeakPolarHBondContact OE1-CB 3.43Å; E133-S255 PolarHBondContact OE1-N 3.47Å; E133-S255 PolarHBondContact OE1-OG 2.94Å; E133-S255 WeakPolarHBondContact OE2-CB 3.44Å; E133-S255 PolarHBondContact OE2-OG 3.13Å; E133-L258 HydrophobicContact CG-CD2 3.86Å; E133-W289 HydrophobicContact CB-CZ2 4.29Å; E133-W289 PolarHBondContact OE2-NE1 2.94Å
134P93.9Very high94.1Very high54 Ų5429.1 Ų29.135%0.35114%0.141SC..Hα-helixtrans-58.4-39.5172.1-26.836.1000114.2S132 F138 P306S132-P134 VanDerWaalsContact C-N 3.33Å; P134-F138 PolarHBondContact O-N 3.39Å; P134-P306 HydrophobicContact CB-CB 4.04Å; P134-P306 HydrophobicContact CB-CG 3.98Å
135H91.5Very high94.5Very high7 Ų729.4 Ų29.43%0.03214%0.142CC..Hα-helixtrans-71-46.4176.7-67.4108.5000111.5F131 S132 E133 R137 F138 Y139 S307 L321F131-H135 HydrophobicContact CB-CB 4.04Å; S132-H135 WeakPolarHBondContact O-CB 3.13Å; S132-H135 PolarHBondContact O-N 3.49Å; S132-H135 PolarHBondContact OG-ND1 2.73Å; E133-H135 VanDerWaalsContact C-N 3.33Å; E133-H135 PolarHBondContact O-N 2.98Å; H135-R137 PolarHBondContact O-N 2.79Å; H135-F138 WeakPolarHBondContact O-CB 3.32Å; H135-F138 PolarHBondContact O-N 3.24Å; H135-F138 VanDerWaalsContact O-N 3.15Å; H135-Y139 WeakPolarHBondContact O-CD2 3.28Å; H135-Y139 PolarHBondContact O-N 3.21Å; H135-Y139 VanDerWaalsContact O-N 3.12Å; H135-S307 PolarHBondContact CE1-OG 3.23Å; H135-S307 PolarHBondContact NE2-OG 3.04Å; H135-L321 HydrophobicContact CB-CD2 4.46Å; H135-L321 WeakPolarHBondContact CD2-CD1 3.22Å; H135-L321 WeakPolarHBondContact NE2-CD1 3.38Å
136S95.6Very high94.7Very high0 Ų029.4 Ų29.40%014%0.142CC..Hα-helixtrans-56.6-39.3173.9-55.20000111.4S132 E133 A140 M224S132-S136 PolarHBondContact O-N 3.08Å; S132-S136 PolarHBondContact O-OG 2.96Å; E133-S136 PolarHBondContact O-N 2.75Å; S136-A140 WeakPolarHBondContact O-CB 3.46Å; S136-A140 PolarHBondContact O-N 3.15Å; S136-M224 WeakPolarHBondContact O-CE 3.46Å; S136-M224 WeakPolarHBondContact OG-CB 3.41Å
137R97Very high95Very high44 Ų4424.1 Ų24.117%0.16612%0.122CC..Hα-helixtrans-66.3-43.5177-175.2-172.2-58.1120.47.4112.4E133 H135 Y139 A140 A141 W289 F290E133-R137 WeakPolarHBondContact O-CB 3.4Å; E133-R137 PolarHBondContact O-N 3.23Å; H135-R137 PolarHBondContact O-N 2.79Å; R137-Y139 VanDerWaalsContact C-N 3.32Å; R137-Y139 PolarHBondContact O-N 3.5Å; R137-A140 PolarHBondContact O-N 3.39Å; R137-A141 VanDerWaalsContact O-CB 3.31Å; R137-A141 WeakPolarHBondContact O-CB 3.44Å; R137-A141 PolarHBondContact O-N 3.11Å; R137-W289 HydrophobicContact CB-CE3 4.36Å; R137-W289 HydrophobicContact CB-CH2 3.55Å; R137-W289 HydrophobicContact CB-CZ2 3.9Å; R137-W289 HydrophobicContact CB-CZ3 3.78Å; R137-W289 WeakPolarHBondContact CD-O 3.44Å; R137-W289 HydrophobicContact CG-CE3 4.16Å; R137-W289 HydrophobicContact CG-CH2 4.22Å; R137-W289 HydrophobicContact CG-CZ3 3.92Å; R137-W289 PolarHBondContact NE-O 2.97Å; R137-W289 PolarHBondContact NH2-O 3.09Å; R137-F290 HydrophobicContact CG-CD1 3.71Å; R137-F290 HydrophobicContact CG-CE1 3.93Å
138F95.4Very high95.5Very high10 Ų1020.3 Ų20.34%0.04411%0.109CC..Hα-helixtrans-58.2-45.1177.3172.3-99.6000111.8P134 H135 Q142 Y172 I298 I303 P305P134-F138 PolarHBondContact O-N 3.39Å; H135-F138 WeakPolarHBondContact O-CB 3.32Å; H135-F138 PolarHBondContact O-N 3.24Å; H135-F138 VanDerWaalsContact O-N 3.15Å; F138-Q142 VanDerWaalsContact CZ-NE2 3.28Å; F138-Q142 PolarHBondContact O-NE2 2.81Å; F138-Y172 AromaticContact CE2-CE1 3.89Å; F138-Y172 HydrophobicContact CE2-CE1 3.89Å; F138-Y172 HydrophobicContact CE2-CE2 4.45Å; F138-Y172 AromaticContact CE2-CZ 3.83Å; F138-Y172 AromaticContact CZ-CD1 3.86Å; F138-Y172 HydrophobicContact CZ-CD1 3.86Å; F138-Y172 HydrophobicContact CZ-CD2 4.17Å; F138-Y172 AromaticContact CZ-CE1 3.6Å; F138-Y172 HydrophobicContact CZ-CE1 3.6Å; F138-Y172 AromaticContact CZ-CE2 3.94Å; F138-Y172 HydrophobicContact CZ-CE2 3.94Å; F138-Y172 HydrophobicContact CZ-CG 4.13Å; F138-Y172 AromaticContact CZ-CZ 3.64Å; F138-I298 HydrophobicContact CD2-CD1 3.52Å; F138-I298 HydrophobicContact CE2-CD1 3.6Å; F138-I303 HydrophobicContact CD2-CG2 4.04Å; F138-I303 HydrophobicContact CE2-CB 4.21Å; F138-I303 HydrophobicContact CE2-CG2 4.01Å; F138-P305 HydrophobicContact CD1-CB 3.81Å; F138-P305 HydrophobicContact CD1-CG 4.14Å; F138-P305 HydrophobicContact CD2-CB 4.29Å; F138-P305 HydrophobicContact CE1-CB 3.73Å; F138-P305 HydrophobicContact CE1-CG 3.5Å; F138-P305 HydrophobicContact CE2-CB 4.22Å; F138-P305 HydrophobicContact CE2-CG 4.03Å; F138-P305 HydrophobicContact CG-CB 4.11Å; F138-P305 HydrophobicContact CZ-CB 3.97Å; F138-P305 HydrophobicContact CZ-CG 3.47Å; F138-P305 VanDerWaalsContact CZ-CG 3.47Å
139Y96.4Very high95.9Very high1 Ų118.4 Ų18.40%0.00410%0.099CC..Hα-helixtrans-70.5-45.8176-69.8-42.9000112.6M121 F131 H135 R137 A141 Q142 I143 G171 L173 M224 L321M121-Y139 HydrophobicContact CE-CD1 4.16Å; M121-Y139 HydrophobicContact CE-CD2 3.95Å; M121-Y139 HydrophobicContact CE-CG 3.76Å; F131-Y139 AromaticContact CD2-CD2 3.87Å; F131-Y139 HydrophobicContact CD2-CD2 3.87Å; F131-Y139 HydrophobicContact CD2-CE2 4.01Å; F131-Y139 AromaticContact CE2-CD2 3.78Å; F131-Y139 HydrophobicContact CE2-CD2 3.78Å; F131-Y139 AromaticContact CE2-CE2 3.71Å; F131-Y139 HydrophobicContact CE2-CE2 3.71Å; F131-Y139 HydrophobicContact CZ-CE2 4.27Å; H135-Y139 WeakPolarHBondContact O-CD2 3.28Å; H135-Y139 PolarHBondContact O-N 3.21Å; H135-Y139 VanDerWaalsContact O-N 3.12Å; R137-Y139 VanDerWaalsContact C-N 3.32Å; R137-Y139 PolarHBondContact O-N 3.5Å; Y139-A141 VanDerWaalsContact C-N 3.25Å; Y139-A141 PolarHBondContact O-N 2.77Å; Y139-Q142 WeakPolarHBondContact O-CB 3.16Å; Y139-Q142 PolarHBondContact O-N 3.46Å; Y139-Q142 VanDerWaalsContact O-N 3.08Å; Y139-I143 PolarHBondContact O-N 2.92Å; Y139-G171 WeakPolarHBondContact CE1-O 3.25Å; Y139-L173 HydrophobicContact CD1-CD1 3.71Å; Y139-L173 HydrophobicContact CD1-CD2 3.61Å; Y139-L173 HydrophobicContact CD1-CG 3.53Å; Y139-L173 HydrophobicContact CE1-CD2 3.8Å; Y139-L173 HydrophobicContact CE1-CG 4.08Å; Y139-L173 HydrophobicContact CG-CD1 4.11Å; Y139-L173 HydrophobicContact CG-CD2 4.39Å; Y139-L173 HydrophobicContact CG-CG 4.38Å; Y139-M224 HydrophobicContact CD2-SD 4.2Å; Y139-M224 HydrophobicContact CG-SD 4.47Å; Y139-L321 HydrophobicContact CE2-CD2 3.71Å; Y139-L321 VanDerWaalsContact OH-CD2 3.24Å; Y139-L321 WeakPolarHBondContact OH-CD2 3.37Å
140A98.4Very high96.1Very high0 Ų016.7 Ų16.70%08%0.081CC..Hα-helixtrans-58.7-36.7177.400000112.6S136 R137 Q142 I143 V144 L217 I221 M224 W289 F290S136-A140 WeakPolarHBondContact O-CB 3.46Å; S136-A140 PolarHBondContact O-N 3.15Å; R137-A140 PolarHBondContact O-N 3.39Å; A140-Q142 VanDerWaalsContact C-N 3.28Å; A140-Q142 PolarHBondContact O-N 3.45Å; A140-I143 PolarHBondContact O-N 2.86Å; A140-V144 VanDerWaalsContact O-CG2 3.3Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 2.99Å; A140-L217 HydrophobicContact CB-CD1 4.4Å; A140-I221 HydrophobicContact CB-CD1 3.81Å; A140-I221 HydrophobicContact CB-CG1 3.67Å; A140-M224 HydrophobicContact CB-CE 4.32Å; A140-W289 HydrophobicContact CB-CH2 4.46Å; A140-W289 HydrophobicContact CB-CZ3 4.17Å; A140-F290 HydrophobicContact CB-CE1 4.09Å; A140-F290 HydrophobicContact CB-CZ 3.89Å
141A98Very high96.3Very high0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-60.8-38.317700000112.2R137 Y139 V144 L145 F290 T293 W295 I298R137-A141 VanDerWaalsContact O-CB 3.31Å; R137-A141 WeakPolarHBondContact O-CB 3.44Å; R137-A141 PolarHBondContact O-N 3.11Å; Y139-A141 VanDerWaalsContact C-N 3.25Å; Y139-A141 PolarHBondContact O-N 2.77Å; A141-V144 PolarHBondContact O-N 2.89Å; A141-L145 WeakPolarHBondContact O-CG 3.36Å; A141-L145 PolarHBondContact O-N 2.97Å; A141-L145 VanDerWaalsContact O-N 3.13Å; A141-F290 HydrophobicContact CB-CE1 4.21Å; A141-T293 HydrophobicContact CB-CG2 3.73Å; A141-W295 HydrophobicContact CB-CE3 4.38Å; A141-W295 HydrophobicContact CB-CH2 4.16Å; A141-W295 HydrophobicContact CB-CZ3 3.76Å; A141-W295 WeakPolarHBondContact O-CZ3 3.45Å; A141-I298 HydrophobicContact CB-CG1 4.31Å; A141-I298 HydrophobicContact CB-CG2 4.32Å
142Q97.7Very high96.4Very high0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-67.7-41.9176.5-64.3167.267.600111.3F95 F138 Y139 A140 L145 A146 Y172 L173 I298F95-Q142 HydrophobicContact CB-CB 4.49Å; F95-Q142 HydrophobicContact CD1-CB 4.27Å; F95-Q142 HydrophobicContact CD1-CG 4.15Å; F95-Q142 HydrophobicContact CD2-CB 3.73Å; F95-Q142 HydrophobicContact CD2-CG 4.16Å; F95-Q142 WeakPolarHBondContact CD2-O 3.43Å; F95-Q142 HydrophobicContact CE1-CG 3.99Å; F95-Q142 HydrophobicContact CE2-CB 4.01Å; F95-Q142 HydrophobicContact CE2-CG 3.99Å; F95-Q142 HydrophobicContact CG-CB 3.9Å; F95-Q142 HydrophobicContact CG-CG 4.25Å; F95-Q142 HydrophobicContact CZ-CB 4.4Å; F95-Q142 HydrophobicContact CZ-CG 3.91Å; F138-Q142 VanDerWaalsContact CZ-NE2 3.28Å; F138-Q142 PolarHBondContact O-NE2 2.81Å; Y139-Q142 WeakPolarHBondContact O-CB 3.16Å; Y139-Q142 PolarHBondContact O-N 3.46Å; Y139-Q142 VanDerWaalsContact O-N 3.08Å; A140-Q142 VanDerWaalsContact C-N 3.28Å; A140-Q142 PolarHBondContact O-N 3.45Å; Q142-L145 PolarHBondContact O-N 3.21Å; Q142-A146 WeakPolarHBondContact O-CB 3.33Å; Q142-A146 PolarHBondContact O-N 3.02Å; Q142-Y172 HydrophobicContact CG-CD1 4.27Å; Q142-Y172 VanDerWaalsContact OE1-CD1 3.25Å; Q142-L173 HydrophobicContact CB-CD1 4.4Å; Q142-I298 HydrophobicContact CG-CG2 3.71Å
143I98.6Very high96.6Very high1 Ų111 Ų111%0.0056%0.056CC..Hα-helixtrans-64.1-41.4175.8-55.2-54.8000111.4Y139 A140 L145 A146 F147 L160 L165 L173 I175 L217 L220Y139-I143 PolarHBondContact O-N 2.92Å; A140-I143 PolarHBondContact O-N 2.86Å; I143-L145 VanDerWaalsContact C-N 3.31Å; I143-L145 PolarHBondContact O-N 3.08Å; I143-A146 PolarHBondContact O-N 2.85Å; I143-F147 HydrophobicContact CG2-CD2 3.89Å; I143-F147 HydrophobicContact CG2-CE1 4.34Å; I143-F147 HydrophobicContact CG2-CE2 3.67Å; I143-F147 HydrophobicContact CG2-CG 4.31Å; I143-F147 HydrophobicContact CG2-CZ 3.95Å; I143-F147 WeakPolarHBondContact O-CB 3.45Å; I143-F147 PolarHBondContact O-N 2.81Å; I143-L160 HydrophobicContact CD1-CD1 4.23Å; I143-L160 HydrophobicContact CG2-CD1 4.05Å; I143-L160 HydrophobicContact CG2-CD2 3.92Å; I143-L165 HydrophobicContact CD1-CD1 4.14Å; I143-L165 HydrophobicContact CD1-CD2 3.58Å; I143-L173 HydrophobicContact CD1-CD1 3.85Å; I143-L173 HydrophobicContact CG1-CD1 4.22Å; I143-I175 HydrophobicContact CD1-CD1 3.73Å; I143-I175 HydrophobicContact CD1-CG1 3.91Å; I143-L217 HydrophobicContact CB-CD1 4.02Å; I143-L217 HydrophobicContact CG2-CD1 3.86Å; I143-L220 HydrophobicContact CG1-CD2 4.06Å
144V98.6Very high96.7Very high0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-58.4-44.1175.8168.10000111.2A140 A141 E148 W214 L217 V281 I284 K285 F290 W295A140-V144 VanDerWaalsContact O-CG2 3.3Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 2.99Å; A141-V144 PolarHBondContact O-N 2.89Å; V144-E148 WeakPolarHBondContact O-CB 3.31Å; V144-E148 PolarHBondContact O-N 3.47Å; V144-W214 HydrophobicContact CG1-CZ3 4.5Å; V144-W214 HydrophobicContact CG2-CZ3 4.27Å; V144-L217 HydrophobicContact CG2-CD2 3.56Å; V144-V281 HydrophobicContact CG1-CG2 3.69Å; V144-I284 HydrophobicContact CG1-CG2 4.48Å; V144-I284 HydrophobicContact CG2-CG2 3.84Å; V144-K285 HydrophobicContact CG1-CG 3.88Å; V144-F290 HydrophobicContact CG2-CZ 4.18Å; V144-W295 HydrophobicContact CB-CH2 4.1Å; V144-W295 HydrophobicContact CB-CZ3 3.84Å; V144-W295 HydrophobicContact CG1-CH2 3.85Å; V144-W295 HydrophobicContact CG1-CZ3 3.69Å; V144-W295 HydrophobicContact CG2-CH2 4.39Å
145L97Very high96.9Very high10 Ų109 Ų95%0.0524%0.043CC..Hα-helixtrans-67.6-41.4177.2-70.3170.8000112F93 F95 A141 Q142 I143 E148 Y149 W295 I298F93-L145 HydrophobicContact CE1-CB 4.09Å; F93-L145 HydrophobicContact CZ-CB 4.02Å; F93-L145 WeakPolarHBondContact CZ-O 3.5Å; F95-L145 HydrophobicContact CD2-CB 4.31Å; F95-L145 HydrophobicContact CE2-CB 4.07Å; F95-L145 HydrophobicContact CE2-CD1 3.81Å; A141-L145 WeakPolarHBondContact O-CG 3.36Å; A141-L145 PolarHBondContact O-N 2.97Å; A141-L145 VanDerWaalsContact O-N 3.13Å; Q142-L145 PolarHBondContact O-N 3.21Å; I143-L145 VanDerWaalsContact C-N 3.31Å; I143-L145 PolarHBondContact O-N 3.08Å; L145-E148 PolarHBondContact O-N 3.23Å; L145-Y149 WeakPolarHBondContact O-CB 3.27Å; L145-Y149 PolarHBondContact O-N 3.38Å; L145-W295 HydrophobicContact CD1-CE3 4.2Å; L145-W295 HydrophobicContact CD2-CE3 4.01Å; L145-W295 HydrophobicContact CG-CE3 3.92Å; L145-W295 HydrophobicContact CG-CZ3 4.31Å; L145-I298 HydrophobicContact CD1-CB 4.2Å; L145-I298 HydrophobicContact CD1-CG2 3.73Å
146A97.7Very high97.2Very high0 Ų08.8 Ų8.80%04%0.042CC..Hα-helixtrans-63.6-42.9177.200000112.2F93 L96 Q142 I143 Y149 L150 I175F93-A146 HydrophobicContact CD1-CB 4.32Å; F93-A146 HydrophobicContact CE1-CB 4.28Å; L96-A146 HydrophobicContact CD2-CB 3.88Å; Q142-A146 WeakPolarHBondContact O-CB 3.33Å; Q142-A146 PolarHBondContact O-N 3.02Å; I143-A146 PolarHBondContact O-N 2.85Å; A146-Y149 WeakPolarHBondContact O-CB 3.24Å; A146-Y149 PolarHBondContact O-N 3.27Å; A146-L150 WeakPolarHBondContact O-CG 3.44Å; A146-L150 PolarHBondContact O-N 2.89Å; A146-I175 HydrophobicContact CB-CD1 3.59Å
147F98.3Very high97.3Very high0 Ų08.8 Ų8.80%04%0.042CC..Hα-helixtrans-68.9-41.1175.4-75.4-10.5000112.9I143 Y149 L150 H151 Y157 L160 D213 W214 L217I143-F147 HydrophobicContact CG2-CD2 3.89Å; I143-F147 HydrophobicContact CG2-CE1 4.34Å; I143-F147 HydrophobicContact CG2-CE2 3.67Å; I143-F147 HydrophobicContact CG2-CG 4.31Å; I143-F147 HydrophobicContact CG2-CZ 3.95Å; I143-F147 WeakPolarHBondContact O-CB 3.45Å; I143-F147 PolarHBondContact O-N 2.81Å; F147-Y149 PolarHBondContact O-N 2.99Å; F147-L150 HydrophobicContact CD1-CD1 4.38Å; F147-L150 PolarHBondContact O-N 2.83Å; F147-H151 WeakPolarHBondContact O-CB 3.5Å; F147-H151 PolarHBondContact O-CD2 3.24Å; F147-H151 PolarHBondContact O-N 3.37Å; F147-Y157 HydrophobicContact CE1-CD1 4.02Å; F147-Y157 HydrophobicContact CE1-CG 4.21Å; F147-Y157 HydrophobicContact CZ-CD1 4.35Å; F147-L160 HydrophobicContact CE2-CD2 3.82Å; F147-L160 HydrophobicContact CZ-CB 4.02Å; F147-L160 HydrophobicContact CZ-CD1 4.14Å; F147-L160 HydrophobicContact CZ-CD2 3.73Å; F147-L160 HydrophobicContact CZ-CG 4.18Å; F147-D213 HydrophobicContact CD2-CB 3.93Å; F147-D213 HydrophobicContact CE1-CB 4.28Å; F147-D213 HydrophobicContact CE2-CB 3.64Å; F147-D213 VanDerWaalsContact CE2-O 3.25Å; F147-D213 WeakPolarHBondContact CE2-O 3.34Å; F147-D213 HydrophobicContact CG-CB 4.36Å; F147-D213 HydrophobicContact CZ-CB 3.81Å; F147-W214 HydrophobicContact CB-CH2 3.56Å; F147-W214 HydrophobicContact CB-CZ2 4.04Å; F147-W214 HydrophobicContact CB-CZ3 3.91Å; F147-W214 HydrophobicContact CD2-CE3 4.07Å; F147-W214 HydrophobicContact CD2-CH2 4.43Å; F147-W214 AromaticContact CD2-CZ3 3.95Å; F147-W214 HydrophobicContact CD2-CZ3 3.95Å; F147-W214 HydrophobicContact CG-CZ3 4.47Å; F147-L217 HydrophobicContact CE2-CB 4.33Å
148E96.8Very high97.3Very high32 Ų327.4 Ų7.415%0.154%0.037CC..Hα-helixtrans-55.4-44.9172.7-179.7-178-129.600111.2L12 V144 L145 S152 V281 K285L12-E148 HydrophobicContact CD1-CG 4.32Å; V144-E148 WeakPolarHBondContact O-CB 3.31Å; V144-E148 PolarHBondContact O-N 3.47Å; L145-E148 PolarHBondContact O-N 3.23Å; E148-S152 WeakPolarHBondContact O-CB 3.31Å; E148-S152 PolarHBondContact O-N 3.32Å; E148-V281 HydrophobicContact CB-CG2 4.33Å; E148-V281 HydrophobicContact CG-CG1 4.03Å; E148-V281 VanDerWaalsContact OE1-CG1 3.3Å; E148-V281 WeakPolarHBondContact OE1-CG1 3.25Å; E148-K285 IonicContact OE1-NZ 3.41Å; E148-K285 PolarHBondContact OE1-NZ 3.4Å; E148-K285 WeakPolarHBondContact OE2-CE 3.4Å; E148-K285 IonicContact OE2-NZ 3.29Å; E148-K285 PolarHBondContact OE2-NZ 2.89Å
149Y96.5Very high97.4Very high3 Ų37.2 Ų7.21%0.0124%0.036CC..Hα-helixtrans-60.4-57.5174.5168.8-100.9000112A15 I91 D92 F93 L96 L145 A146 F147 H151 S152 L153A15-Y149 HydrophobicContact CB-CD2 4.39Å; A15-Y149 HydrophobicContact CB-CE2 3.84Å; I91-Y149 WeakPolarHBondContact CA-OH 3.5Å; I91-Y149 HydrophobicContact CB-CE1 4.08Å; I91-Y149 HydrophobicContact CG2-CE1 4.26Å; D92-Y149 PolarHBondContact N-OH 2.8Å; D92-Y149 PolarHBondContact O-OH 3.42Å; F93-Y149 HydrophobicContact CB-CD1 3.68Å; F93-Y149 HydrophobicContact CB-CE1 3.72Å; F93-Y149 HydrophobicContact CB-CG 4.09Å; F93-Y149 HydrophobicContact CD1-CD1 4.45Å; F93-Y149 HydrophobicContact CD1-CG 4.46Å; F93-Y149 AromaticContact CD2-CD1 3.94Å; F93-Y149 HydrophobicContact CD2-CD1 3.94Å; F93-Y149 AromaticContact CD2-CD2 3.57Å; F93-Y149 HydrophobicContact CD2-CD2 3.57Å; F93-Y149 HydrophobicContact CD2-CE1 4.49Å; F93-Y149 HydrophobicContact CD2-CE2 4.17Å; F93-Y149 AromaticContact CD2-CG 3.43Å; F93-Y149 HydrophobicContact CD2-CG 3.43Å; F93-Y149 VanDerWaalsContact CD2-CG 3.43Å; F93-Y149 HydrophobicContact CE2-CD2 4.09Å; F93-Y149 AromaticContact CE2-CG 3.92Å; F93-Y149 HydrophobicContact CE2-CG 3.92Å; F93-Y149 AromaticContact CG-CD1 3.78Å; F93-Y149 HydrophobicContact CG-CD1 3.78Å; F93-Y149 HydrophobicContact CG-CD2 4.26Å; F93-Y149 HydrophobicContact CG-CE1 4.3Å; F93-Y149 AromaticContact CG-CG 3.74Å; F93-Y149 HydrophobicContact CG-CG 3.74Å; L96-Y149 HydrophobicContact CD1-CD1 3.76Å; L96-Y149 HydrophobicContact CD1-CE1 3.73Å; L145-Y149 WeakPolarHBondContact O-CB 3.27Å; L145-Y149 PolarHBondContact O-N 3.38Å; A146-Y149 WeakPolarHBondContact O-CB 3.24Å; A146-Y149 PolarHBondContact O-N 3.27Å; F147-Y149 PolarHBondContact O-N 2.99Å; Y149-H151 VanDerWaalsContact C-N 3.33Å; Y149-H151 PolarHBondContact O-N 2.61Å; Y149-S152 WeakPolarHBondContact O-CB 3.48Å; Y149-S152 PolarHBondContact O-N 3.4Å; Y149-S152 VanDerWaalsContact O-N 3.08Å; Y149-S152 PolarHBondContact O-OG 3.11Å; Y149-L153 HydrophobicContact CD1-CD1 4.42Å; Y149-L153 HydrophobicContact CE1-CD1 3.76Å; Y149-L153 HydrophobicContact CE2-CD1 3.91Å; Y149-L153 VanDerWaalsContact CZ-CD1 3.48Å; Y149-L153 PolarHBondContact O-N 3.28Å
150L97.7Very high97.5Very high1 Ų17.2 Ų7.21%0.0054%0.036CC..Hα-helixtrans-58.6-44.5-178.6-71.4175.4000112.1I91 L96 A146 F147 S152 L153 D154 L155 F178I91-L150 HydrophobicContact CG2-CD2 4.1Å; L96-L150 HydrophobicContact CD1-CD1 4.47Å; L96-L150 HydrophobicContact CD1-CD2 3.81Å; L96-L150 HydrophobicContact CD1-CG 4.11Å; L96-L150 HydrophobicContact CD2-CD1 4.43Å; A146-L150 WeakPolarHBondContact O-CG 3.44Å; A146-L150 PolarHBondContact O-N 2.89Å; F147-L150 HydrophobicContact CD1-CD1 4.38Å; F147-L150 PolarHBondContact O-N 2.83Å; L150-S152 PolarHBondContact O-N 3.09Å; L150-L153 WeakPolarHBondContact O-CA 3.49Å; L150-L153 WeakPolarHBondContact O-CB 3.13Å; L150-L153 PolarHBondContact O-N 3.26Å; L150-D154 PolarHBondContact O-N 2.97Å; L150-L155 CarbonylContact C-O 3.58Å; L150-L155 HydrophobicContact CB-CB 4.14Å; L150-L155 HydrophobicContact CD2-CB 4.24Å; L150-L155 HydrophobicContact CD2-CD1 3.78Å; L150-L155 WeakPolarHBondContact O-CB 3.3Å; L150-L155 PolarHBondContact O-N 3.13Å; L150-F178 HydrophobicContact CD1-CE1 4.17Å; L150-F178 HydrophobicContact CD2-CE1 4.1Å
151H96.7Very high97.5Very high20 Ų208.7 Ų8.79%0.0934%0.043CC..Hα-helixtrans-66.3-29.4179.9-70.1-172.1000111.6F147 Y149 L153 D154 L155 K210 D213 W214F147-H151 WeakPolarHBondContact O-CB 3.5Å; F147-H151 PolarHBondContact O-CD2 3.24Å; F147-H151 PolarHBondContact O-N 3.37Å; Y149-H151 VanDerWaalsContact C-N 3.33Å; Y149-H151 PolarHBondContact O-N 2.61Å; H151-L153 PolarHBondContact O-N 3.14Å; H151-D154 PolarHBondContact O-N 2.84Å; H151-L155 PolarHBondContact CD2-O 3.41Å; H151-K210 HydrophobicContact CB-CD 3.93Å; H151-K210 HydrophobicContact CB-CG 4.5Å; H151-K210 PolarHBondContact CE1-O 2.93Å; H151-K210 WeakPolarHBondContact O-CE 3.45Å; H151-K210 PolarHBondContact O-NZ 2.91Å; H151-D213 IonicContact CD2-OD2 2.81Å; H151-D213 IonicContact CE1-OD2 2.57Å; H151-D213 IonicContact NE2-OD2 3.93Å; H151-D213 PolarHBondContact NE2-OD2 2.99Å; H151-W214 AromaticContact CE1-CE2 3.67Å; H151-W214 AromaticContact CE1-CZ2 3.93Å; H151-W214 AromaticContact CE1-NE1 3.47Å; H151-W214 PolarHBondContact CE1-NE1 3.01Å; H151-W214 AromaticContact ND1-CE2 3.67Å; H151-W214 AromaticContact ND1-CZ2 3.65Å; H151-W214 AromaticContact ND1-NE1 3.41Å; H151-W214 PolarHBondContact ND1-NE1 2.91Å
152S95.2Very high97.4Very high15 Ų158.7 Ų8.711%0.1054%0.043CC..Hα-helixtrans-65.9-21.4173.285.10000113.2R16 E148 Y149 L150R16-S152 PolarHBondContact NE-O 3.23Å; E148-S152 WeakPolarHBondContact O-CB 3.31Å; E148-S152 PolarHBondContact O-N 3.32Å; Y149-S152 WeakPolarHBondContact O-CB 3.48Å; Y149-S152 PolarHBondContact O-N 3.4Å; Y149-S152 VanDerWaalsContact O-N 3.08Å; Y149-S152 PolarHBondContact O-OG 3.11Å; L150-S152 PolarHBondContact O-N 3.09Å
153L96.4Very high97.3Very high4 Ų411.7 Ų11.72%0.0216%0.057CC..THydrogen-bonded Turntrans-97.75.8178.6-54.8177.8000113.4R16 F19 I91 Y149 L150 H151 L155R16-L153 HydrophobicContact CB-CD2 4.24Å; R16-L153 HydrophobicContact CG-CD2 3.72Å; F19-L153 HydrophobicContact CB-CD1 4.06Å; F19-L153 HydrophobicContact CB-CD2 3.67Å; F19-L153 HydrophobicContact CB-CG 4.45Å; F19-L153 HydrophobicContact CD1-CB 4.13Å; F19-L153 HydrophobicContact CD1-CD1 4.34Å; F19-L153 HydrophobicContact CD1-CD2 3.87Å; F19-L153 HydrophobicContact CD1-CG 4.33Å; F19-L153 HydrophobicContact CD2-CD1 3.61Å; F19-L153 HydrophobicContact CD2-CD2 4.49Å; F19-L153 HydrophobicContact CD2-CG 4.44Å; F19-L153 HydrophobicContact CE1-CB 4.12Å; F19-L153 HydrophobicContact CE2-CD1 4.13Å; F19-L153 HydrophobicContact CG-CB 4.36Å; F19-L153 HydrophobicContact CG-CD1 3.74Å; F19-L153 HydrophobicContact CG-CD2 3.76Å; F19-L153 HydrophobicContact CG-CG 4.16Å; F19-L153 HydrophobicContact CZ-CB 4.36Å; I91-L153 HydrophobicContact CG2-CD1 4.26Å; Y149-L153 HydrophobicContact CD1-CD1 4.42Å; Y149-L153 HydrophobicContact CE1-CD1 3.76Å; Y149-L153 HydrophobicContact CE2-CD1 3.91Å; Y149-L153 VanDerWaalsContact CZ-CD1 3.48Å; Y149-L153 PolarHBondContact O-N 3.28Å; L150-L153 WeakPolarHBondContact O-CA 3.49Å; L150-L153 WeakPolarHBondContact O-CB 3.13Å; L150-L153 PolarHBondContact O-N 3.26Å; H151-L153 PolarHBondContact O-N 3.14Å; L153-L155 HydrophobicContact CB-CD1 4.08Å; L153-L155 HydrophobicContact CB-CG 4.11Å; L153-L155 HydrophobicContact CD1-CD1 4.11Å; L153-L155 PolarHBondContact O-N 3.23Å
154D96.6Very high97.2Very high41 Ų4112.2 Ų12.222%0.2196%0.06CC..THydrogen-bonded Turntrans63.922.6-169.9-58.9-45.1000114.6L150 H151 R183 V184 K185 K210L150-D154 PolarHBondContact O-N 2.97Å; H151-D154 PolarHBondContact O-N 2.84Å; D154-R183 HydrophobicContact CB-CG 4.18Å; D154-R183 CarbonylContact O-C 3.5Å; D154-R183 VanDerWaalsContact O-CA 3.27Å; D154-R183 WeakPolarHBondContact O-CA 3.43Å; D154-V184 PolarHBondContact O-N 3.14Å; D154-K185 HydrophobicContact CB-CG 4.36Å; D154-K210 IonicContact OD1-NZ 3.13Å; D154-K210 PolarHBondContact OD1-NZ 3.4Å
155L97.9Very high97.1Very high1 Ų112.2 Ų12.21%0.0056%0.06CC..EExtended strand (participates in β ladder)trans-90.7137.7174.4-62.1170.8000110.5F19 I87 I91 L150 H151 L153 K182 R183F19-L155 HydrophobicContact CE2-CD1 3.83Å; F19-L155 HydrophobicContact CZ-CD1 4.06Å; F19-L155 HydrophobicContact CZ-CD2 4.36Å; F19-L155 HydrophobicContact CZ-CG 4.33Å; I87-L155 HydrophobicContact CD1-CD2 3.87Å; I87-L155 HydrophobicContact CG1-CD2 3.84Å; I87-L155 HydrophobicContact CG2-CD1 4.01Å; I87-L155 HydrophobicContact CG2-CD2 4.38Å; I91-L155 HydrophobicContact CG2-CD1 3.64Å; L150-L155 CarbonylContact C-O 3.58Å; L150-L155 HydrophobicContact CB-CB 4.14Å; L150-L155 HydrophobicContact CD2-CB 4.24Å; L150-L155 HydrophobicContact CD2-CD1 3.78Å; L150-L155 WeakPolarHBondContact O-CB 3.3Å; L150-L155 PolarHBondContact O-N 3.13Å; H151-L155 PolarHBondContact CD2-O 3.41Å; L153-L155 HydrophobicContact CB-CD1 4.08Å; L153-L155 HydrophobicContact CB-CG 4.11Å; L153-L155 HydrophobicContact CD1-CD1 4.11Å; L153-L155 PolarHBondContact O-N 3.23Å; L155-K182 WeakPolarHBondContact CA-O 3.37Å; L155-R183 HydrophobicContact CD2-CB 3.77Å; L155-R183 HydrophobicContact CD2-CG 4.17Å
156I97.7Very high97Very high1 Ų112.7 Ų12.71%0.0056%0.062CC..EExtended strand (participates in β ladder)trans-113.7134168.1-48.3175000106.7R158 A181 K182 V184 K210 V212 D213I156-R158 HydrophobicContact CB-CG 4.08Å; I156-R158 HydrophobicContact CG2-CG 3.45Å; I156-R158 VanDerWaalsContact CG2-CG 3.45Å; I156-A181 CarbonylContact O-C 3.41Å; I156-A181 WeakPolarHBondContact O-CA 3.47Å; I156-K182 PolarHBondContact N-O 2.95Å; I156-K182 PolarHBondContact O-N 2.85Å; I156-V184 HydrophobicContact CD1-CB 3.8Å; I156-V184 HydrophobicContact CD1-CG1 4.25Å; I156-V184 HydrophobicContact CD1-CG2 4.04Å; I156-V184 HydrophobicContact CG1-CB 4.37Å; I156-K210 HydrophobicContact CD1-CG 4.3Å; I156-K210 HydrophobicContact CG1-CG 3.77Å; I156-V212 HydrophobicContact CG2-CG2 3.91Å; I156-D213 WeakPolarHBondContact CA-OD2 3.3Å; I156-D213 VanDerWaalsContact CG2-OD2 3.3Å; I156-D213 WeakPolarHBondContact CG2-OD2 3.28Å
157Y98.2Very high96.7Very high1 Ų112.7 Ų12.70%0.0046%0.062CC..  trans-85.3-47.4-174.2179-114.4000113.3F147 D159 L160 N164 I175 T176 D177 F178 F180 A181 D213F147-Y157 HydrophobicContact CE1-CD1 4.02Å; F147-Y157 HydrophobicContact CE1-CG 4.21Å; F147-Y157 HydrophobicContact CZ-CD1 4.35Å; Y157-D159 VanDerWaalsContact C-N 3.31Å; Y157-D159 WeakPolarHBondContact CE1-O 3.27Å; Y157-D159 PolarHBondContact O-N 3.47Å; Y157-L160 HydrophobicContact CD1-CB 4.14Å; Y157-L160 HydrophobicContact CE1-CB 4.18Å; Y157-N164 VanDerWaalsContact OH-CB 3.27Å; Y157-N164 WeakPolarHBondContact OH-CB 3.44Å; Y157-N164 PolarHBondContact OH-ND2 3.45Å; Y157-I175 HydrophobicContact CD2-CG2 4.37Å; Y157-I175 HydrophobicContact CE1-CG2 3.97Å; Y157-I175 HydrophobicContact CE2-CG2 3.7Å; Y157-I175 VanDerWaalsContact CZ-CG2 3.49Å; Y157-T176 PolarHBondContact OH-O 2.92Å; Y157-D177 WeakPolarHBondContact CE2-O 3.33Å; Y157-D177 PolarHBondContact OH-O 2.82Å; Y157-D177 VanDerWaalsContact OH-O 3.14Å; Y157-F178 HydrophobicContact CD2-CD1 4.1Å; Y157-F178 HydrophobicContact CD2-CE1 4.07Å; Y157-F178 HydrophobicContact CD2-CZ 4.47Å; Y157-F178 HydrophobicContact CE2-CD1 4.28Å; Y157-F178 HydrophobicContact CE2-CD2 4.27Å; Y157-F178 HydrophobicContact CE2-CE1 4.35Å; Y157-F178 HydrophobicContact CE2-CE2 4.35Å; Y157-F178 HydrophobicContact CE2-CG 4.25Å; Y157-F178 HydrophobicContact CE2-CZ 4.4Å; Y157-F180 CarbonylContact O-C 3.6Å; Y157-A181 PolarHBondContact O-N 3.41Å; Y157-D213 PolarHBondContact N-OD1 3.07Å; Y157-D213 PolarHBondContact N-OD2 2.71Å
158R97.7Very high96.3Very high14 Ų1413.5 Ų13.55%0.0537%0.067CC..  trans69-1.4170.4-51.3-170.6-68168.23.1118.7I156 F180 C192 Y208 V212 D213I156-R158 HydrophobicContact CB-CG 4.08Å; I156-R158 HydrophobicContact CG2-CG 3.45Å; I156-R158 VanDerWaalsContact CG2-CG 3.45Å; R158-F180 HydrophobicContact CB-CB 4.24Å; R158-F180 PolarHBondContact NE-O 3.01Å; R158-F180 PolarHBondContact NH2-O 3.19Å; R158-C192 VanDerWaalsContact CZ-SG 3.54Å; R158-C192 PolarHBondContact NH1-SG 3.14Å; R158-Y208 WeakPolarHBondContact CD-OH 3.28Å; R158-Y208 HydrophobicContact CG-CE2 4.48Å; R158-Y208 PolarHBondContact NH1-OH 3.4Å; R158-V212 HydrophobicContact CG-CG2 4.43Å; R158-D213 PolarHBondContact N-OD1 3.4Å
159D97.3Very high95.7Very high6 Ų615.5 Ų15.53%0.0328%0.084CC..  trans-136.742.7176-152.929.7000113.7Y157 K161 N164 F180 G193 T194Y157-D159 VanDerWaalsContact C-N 3.31Å; Y157-D159 WeakPolarHBondContact CE1-O 3.27Å; Y157-D159 PolarHBondContact O-N 3.47Å; D159-K161 PolarHBondContact O-N 3.5Å; D159-K161 IonicContact OD1-NZ 3.43Å; D159-K161 PolarHBondContact OD1-NZ 3.35Å; D159-K161 WeakPolarHBondContact OD2-CE 3.45Å; D159-K161 IonicContact OD2-NZ 2.87Å; D159-K161 PolarHBondContact OD2-NZ 3.21Å; D159-N164 PolarHBondContact O-ND2 3.41Å; D159-N164 PolarHBondContact OD2-ND2 2.99Å; D159-F180 HydrophobicContact CB-CD2 3.81Å; D159-G193 WeakPolarHBondContact OD1-CA 3.24Å; D159-T194 PolarHBondContact OD1-N 3.3Å; D159-T194 PolarHBondContact OD1-OG1 2.94Å
160L98.5Very high95.2Very high1 Ų118.8 Ų18.81%0.00511%0.105CC..  trans-69122.4175.5-175.772.6000110.3I143 F147 Y157 L165 Y197 A216 L217 L220I143-L160 HydrophobicContact CD1-CD1 4.23Å; I143-L160 HydrophobicContact CG2-CD1 4.05Å; I143-L160 HydrophobicContact CG2-CD2 3.92Å; F147-L160 HydrophobicContact CE2-CD2 3.82Å; F147-L160 HydrophobicContact CZ-CB 4.02Å; F147-L160 HydrophobicContact CZ-CD1 4.14Å; F147-L160 HydrophobicContact CZ-CD2 3.73Å; F147-L160 HydrophobicContact CZ-CG 4.18Å; Y157-L160 HydrophobicContact CD1-CB 4.14Å; Y157-L160 HydrophobicContact CE1-CB 4.18Å; L160-L165 HydrophobicContact CD1-CD1 4.27Å; L160-L165 HydrophobicContact CD1-CD2 3.99Å; L160-L165 HydrophobicContact CD1-CG 4.42Å; L160-Y197 WeakPolarHBondContact O-CD1 3.45Å; L160-Y197 WeakPolarHBondContact O-CE1 3.3Å; L160-A216 HydrophobicContact CB-CB 3.95Å; L160-A216 HydrophobicContact CD2-CB 4.24Å; L160-L217 HydrophobicContact CD2-CB 4.33Å; L160-L220 HydrophobicContact CD1-CD2 4.05Å; L160-L220 HydrophobicContact CD2-CB 4.11Å; L160-L220 HydrophobicContact CD2-CD2 3.82Å; L160-L220 HydrophobicContact CG-CD2 4.02Å
161K97.9Very high94.8Very high31 Ų3118.8 Ų18.814%0.13511%0.105CC..SBendtrans-165159.317560.9-176.1161.2-1640109.7D159 E163 N164 L165 T194 Y197D159-K161 PolarHBondContact O-N 3.5Å; D159-K161 IonicContact OD1-NZ 3.43Å; D159-K161 PolarHBondContact OD1-NZ 3.35Å; D159-K161 WeakPolarHBondContact OD2-CE 3.45Å; D159-K161 IonicContact OD2-NZ 2.87Å; D159-K161 PolarHBondContact OD2-NZ 3.21Å; K161-E163 VanDerWaalsContact CB-OE2 3.29Å; K161-E163 WeakPolarHBondContact CB-OE2 3.3Å; K161-E163 HydrophobicContact CD-CB 4.12Å; K161-E163 WeakPolarHBondContact CD-OE2 3.48Å; K161-E163 HydrophobicContact CG-CB 4.11Å; K161-E163 VanDerWaalsContact CG-OE2 3.3Å; K161-E163 WeakPolarHBondContact CG-OE2 3.49Å; K161-E163 PolarHBondContact O-N 2.91Å; K161-E163 VanDerWaalsContact O-N 3.14Å; K161-N164 VanDerWaalsContact CE-CG 3.44Å; K161-N164 WeakPolarHBondContact CE-ND2 3.29Å; K161-N164 WeakPolarHBondContact CE-OD1 3.21Å; K161-N164 HydrophobicContact CG-CB 4.2Å; K161-N164 PolarHBondContact O-N 3.34Å; K161-L165 WeakPolarHBondContact O-CG 3.25Å; K161-T194 HydrophobicContact CD-CG2 4.19Å; K161-T194 VanDerWaalsContact CD-OG1 3.28Å; K161-T194 WeakPolarHBondContact CD-OG1 3.27Å; K161-T194 WeakPolarHBondContact CE-OG1 3.31Å; K161-T194 PolarHBondContact NZ-OG1 3.13Å; K161-Y197 HydrophobicContact CB-CD2 3.94Å; K161-Y197 HydrophobicContact CB-CE2 3.71Å; K161-Y197 HydrophobicContact CB-CG 4.46Å
162P96.8Very high94.6Very high0 Ų018 Ų180%010%0.101CC..G310 helixtrans-55.4-28.7-179.5-27.934.2000114.6M121 F122 L125 N164 L165 Y197 L220M121-P162 HydrophobicContact CB-CB 4.35Å; M121-P162 HydrophobicContact CG-CB 4.29Å; M121-P162 PolarHBondContact N-O 3.3Å; M121-P162 HydrophobicContact SD-CB 4.44Å; F122-P162 HydrophobicContact CB-CB 3.82Å; F122-P162 HydrophobicContact CD2-CB 4.27Å; F122-P162 PolarHBondContact N-O 2.87Å; F122-P162 VanDerWaalsContact N-O 3.17Å; L125-P162 HydrophobicContact CD2-CG 4.36Å; P162-N164 VanDerWaalsContact C-N 3.31Å; P162-L165 PolarHBondContact O-N 3.37Å; P162-Y197 WeakPolarHBondContact CD-OH 3.2Å; P162-L220 HydrophobicContact CG-CD1 3.82Å
163E94.7Very high94.6Very high64 Ų6417.3 Ų17.330%0.29910%0.096SC..G310 helixtrans-67.4-32178.4-60.789.4148.800111.8F122 K161 L165F122-E163 HydrophobicContact CB-CG 3.95Å; F122-E163 HydrophobicContact CD2-CG 3.85Å; F122-E163 HydrophobicContact CG-CG 3.89Å; K161-E163 VanDerWaalsContact CB-OE2 3.29Å; K161-E163 WeakPolarHBondContact CB-OE2 3.3Å; K161-E163 HydrophobicContact CD-CB 4.12Å; K161-E163 WeakPolarHBondContact CD-OE2 3.48Å; K161-E163 HydrophobicContact CG-CB 4.11Å; K161-E163 VanDerWaalsContact CG-OE2 3.3Å; K161-E163 WeakPolarHBondContact CG-OE2 3.49Å; K161-E163 PolarHBondContact O-N 2.91Å; K161-E163 VanDerWaalsContact O-N 3.14Å; E163-L165 VanDerWaalsContact C-N 3.32Å
164N96.7Very high94.7Very high11 Ų1117.6 Ų17.66%0.05910%0.097CC..G310 helixtrans-9311.5179.4-69.7-4.8000113Y157 D159 K161 P162 T176Y157-N164 VanDerWaalsContact OH-CB 3.27Å; Y157-N164 WeakPolarHBondContact OH-CB 3.44Å; Y157-N164 PolarHBondContact OH-ND2 3.45Å; D159-N164 PolarHBondContact O-ND2 3.41Å; D159-N164 PolarHBondContact OD2-ND2 2.99Å; K161-N164 VanDerWaalsContact CE-CG 3.44Å; K161-N164 WeakPolarHBondContact CE-ND2 3.29Å; K161-N164 WeakPolarHBondContact CE-OD1 3.21Å; K161-N164 HydrophobicContact CG-CB 4.2Å; K161-N164 PolarHBondContact O-N 3.34Å; P162-N164 VanDerWaalsContact C-N 3.31Å; N164-T176 WeakPolarHBondContact O-CG2 3.48Å; N164-T176 PolarHBondContact O-N 3.22Å
165L97.2Very high94.7Very high0 Ų015.7 Ų15.70%09%0.087CC..EExtended strand (participates in β ladder)trans-116.8110.2178.4-61.3179.8000109.4M121 I143 L160 K161 P162 E163 I175 L220M121-L165 HydrophobicContact CB-CB 3.97Å; M121-L165 WeakPolarHBondContact CB-O 3.45Å; M121-L165 HydrophobicContact CE-CB 4.29Å; M121-L165 HydrophobicContact CE-CD1 3.81Å; M121-L165 PolarHBondContact N-O 3.36Å; M121-L165 HydrophobicContact SD-CD1 3.84Å; I143-L165 HydrophobicContact CD1-CD1 4.14Å; I143-L165 HydrophobicContact CD1-CD2 3.58Å; L160-L165 HydrophobicContact CD1-CD1 4.27Å; L160-L165 HydrophobicContact CD1-CD2 3.99Å; L160-L165 HydrophobicContact CD1-CG 4.42Å; K161-L165 WeakPolarHBondContact O-CG 3.25Å; P162-L165 PolarHBondContact O-N 3.37Å; E163-L165 VanDerWaalsContact C-N 3.32Å; L165-I175 HydrophobicContact CD2-CB 4.29Å; L165-I175 HydrophobicContact CD2-CD1 4.48Å; L165-I175 HydrophobicContact CD2-CG1 3.68Å; L165-I175 HydrophobicContact CD2-CG2 4.43Å; L165-L220 HydrophobicContact CD1-CD1 4.03Å; L165-L220 HydrophobicContact CD1-CD2 3.62Å; L165-L220 HydrophobicContact CD1-CG 4.48Å
166L94.8Very high94.6Very high21 Ų2116.9 Ų16.911%0.119%0.094CC..EExtended strand (participates in β ladder)trans-92.6146.5175.3-56.2176.1000110.2I116 G119 E120 L173 K174 T176I116-L166 HydrophobicContact CB-CB 3.91Å; I116-L166 HydrophobicContact CB-CD1 3.88Å; I116-L166 HydrophobicContact CG1-CB 4.39Å; I116-L166 HydrophobicContact CG1-CD1 4.09Å; I116-L166 HydrophobicContact CG2-CB 3.58Å; G119-L166 CarbonylContact O-C 3.43Å; G119-L166 WeakPolarHBondContact O-CA 3.19Å; E120-L166 HydrophobicContact CG-CD2 3.83Å; L166-L173 CarbonylContact O-C 3.55Å; L166-L173 VanDerWaalsContact O-CA 3.3Å; L166-L173 WeakPolarHBondContact O-CA 3.27Å; L166-K174 HydrophobicContact CB-CB 4.36Å; L166-K174 PolarHBondContact N-O 2.75Å; L166-K174 PolarHBondContact O-N 3.12Å; L166-T176 HydrophobicContact CD1-CG2 4.03Å; L166-T176 HydrophobicContact CG-CG2 3.96Å
167I92.2Very high94.4Very high0 Ų019.5 Ų19.50%011%0.108CC..EExtended strand (participates in β ladder)trans-102.8125.2174.3-56.1-176.6000108.3I116 G118 G119 H124 Y172 L173 P323I116-I167 VanDerWaalsContact CG2-O 3.24Å; I116-I167 WeakPolarHBondContact CG2-O 3.18Å; G118-I167 CarbonylContact C-O 3.46Å; G118-I167 WeakPolarHBondContact CA-O 3.27Å; G118-I167 PolarHBondContact N-O 2.71Å; G118-I167 VanDerWaalsContact N-O 3.14Å; G119-I167 PolarHBondContact O-N 3.43Å; H124-I167 HydrophobicContact CB-CD1 4.41Å; I167-Y172 CarbonylContact C-O 3.46Å; I167-Y172 WeakPolarHBondContact CA-O 3.38Å; I167-L173 HydrophobicContact CG1-CD2 3.97Å; I167-P323 HydrophobicContact CG2-CG 4.19Å
168D89.6Confident94.3Very high16 Ų1619.4 Ų19.49%0.08611%0.108CC..PPolyproline II helixtrans-79.2171175.174.424.5000112.1I116 T170 G171 Y172 K301I116-D168 HydrophobicContact CG2-CB 4.08Å; D168-T170 PolarHBondContact O-N 2.7Å; D168-T170 VanDerWaalsContact OD1-CA 3.31Å; D168-T170 WeakPolarHBondContact OD1-CA 3.22Å; D168-T170 WeakPolarHBondContact OD1-CB 3.49Å; D168-T170 PolarHBondContact OD1-N 2.88Å; D168-T170 PolarHBondContact OD1-OG1 2.89Å; D168-T170 PolarHBondContact OD2-OG1 2.95Å; D168-G171 PolarHBondContact O-N 3.35Å; D168-G171 PolarHBondContact OD1-N 2.91Å; D168-G171 VanDerWaalsContact OD1-N 3.13Å; D168-Y172 PolarHBondContact N-O 3.01Å; D168-Y172 PolarHBondContact OD1-N 3.23Å; D168-K301 IonicContact OD2-NZ 2.96Å; D168-K301 PolarHBondContact OD2-NZ 3.22Å
169S84.1Confident94.1Very high74 Ų7419.3 Ų19.352%0.51711%0.111SC..THydrogen-bonded Turntrans-63.7-13-179.358.30000114.1
170T85.7Confident93.9Very high73 Ų7321.9 Ų21.945%0.44812%0.122SC..THydrogen-bonded Turntrans-94.7-1.617571.40000112.8D168D168-T170 PolarHBondContact O-N 2.7Å; D168-T170 VanDerWaalsContact OD1-CA 3.31Å; D168-T170 WeakPolarHBondContact OD1-CA 3.22Å; D168-T170 WeakPolarHBondContact OD1-CB 3.49Å; D168-T170 PolarHBondContact OD1-N 2.88Å; D168-T170 PolarHBondContact OD1-OG1 2.89Å; D168-T170 PolarHBondContact OD2-OG1 2.95Å
171G88.6Confident93.8Very high0 Ų021.9 Ų21.90%012%0.122CC..SBendtrans856.3-178.800000114.2Y139 D168Y139-G171 WeakPolarHBondContact CE1-O 3.25Å; D168-G171 PolarHBondContact O-N 3.35Å; D168-G171 PolarHBondContact OD1-N 2.91Å; D168-G171 VanDerWaalsContact OD1-N 3.13Å
172Y93.1Very high93.7Very high5 Ų522.8 Ų22.82%0.0213%0.126CC..  trans-88.8158.8177.1-83.6-95.8000111.5F95 F138 Q142 I167 D168 K301 K302 I303F95-Y172 HydrophobicContact CD1-CD1 4.27Å; F95-Y172 AromaticContact CE1-CD1 3.6Å; F95-Y172 HydrophobicContact CE1-CD1 3.6Å; F95-Y172 HydrophobicContact CE1-CE1 4.07Å; F95-Y172 HydrophobicContact CZ-CD1 4.4Å; F95-Y172 HydrophobicContact CZ-CE1 4.49Å; F138-Y172 AromaticContact CE2-CE1 3.89Å; F138-Y172 HydrophobicContact CE2-CE1 3.89Å; F138-Y172 HydrophobicContact CE2-CE2 4.45Å; F138-Y172 AromaticContact CE2-CZ 3.83Å; F138-Y172 AromaticContact CZ-CD1 3.86Å; F138-Y172 HydrophobicContact CZ-CD1 3.86Å; F138-Y172 HydrophobicContact CZ-CD2 4.17Å; F138-Y172 AromaticContact CZ-CE1 3.6Å; F138-Y172 HydrophobicContact CZ-CE1 3.6Å; F138-Y172 AromaticContact CZ-CE2 3.94Å; F138-Y172 HydrophobicContact CZ-CE2 3.94Å; F138-Y172 HydrophobicContact CZ-CG 4.13Å; F138-Y172 AromaticContact CZ-CZ 3.64Å; Q142-Y172 HydrophobicContact CG-CD1 4.27Å; Q142-Y172 VanDerWaalsContact OE1-CD1 3.25Å; I167-Y172 CarbonylContact C-O 3.46Å; I167-Y172 WeakPolarHBondContact CA-O 3.38Å; D168-Y172 PolarHBondContact N-O 3.01Å; D168-Y172 PolarHBondContact OD1-N 3.23Å; Y172-K301 HydrophobicContact CD1-CB 4.49Å; Y172-K301 HydrophobicContact CD1-CD 4.28Å; Y172-K301 HydrophobicContact CD1-CG 3.87Å; Y172-K301 HydrophobicContact CD2-CB 4.28Å; Y172-K301 HydrophobicContact CD2-CD 4.26Å; Y172-K301 HydrophobicContact CD2-CG 4.26Å; Y172-K301 HydrophobicContact CE1-CB 4.15Å; Y172-K301 HydrophobicContact CE1-CG 3.91Å; Y172-K301 HydrophobicContact CE2-CB 3.91Å; Y172-K301 HydrophobicContact CE2-CG 4.29Å; Y172-K301 HydrophobicContact CG-CD 4.02Å; Y172-K301 HydrophobicContact CG-CG 4.05Å; Y172-K301 VanDerWaalsContact CZ-CA 3.43Å; Y172-K301 VanDerWaalsContact OH-CA 3.26Å; Y172-K301 WeakPolarHBondContact OH-CA 3.4Å; Y172-K302 PolarHBondContact OH-N 3.41Å; Y172-I303 PolarHBondContact OH-N 3.21Å; Y172-I303 PolarHBondContact OH-O 3.31Å
173L95.3Very high93.6Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-85.6151.1-178.8-62.3-179.9000112.9F95 M121 Y139 Q142 I143 L166 I167F95-L173 VanDerWaalsContact CA-O 3.31Å; F95-L173 WeakPolarHBondContact CA-O 3.46Å; M121-L173 HydrophobicContact CE-CD1 3.76Å; M121-L173 HydrophobicContact CE-CD2 3.43Å; M121-L173 VanDerWaalsContact CE-CD2 3.43Å; M121-L173 HydrophobicContact CE-CG 4.23Å; Y139-L173 HydrophobicContact CD1-CD1 3.71Å; Y139-L173 HydrophobicContact CD1-CD2 3.61Å; Y139-L173 HydrophobicContact CD1-CG 3.53Å; Y139-L173 HydrophobicContact CE1-CD2 3.8Å; Y139-L173 HydrophobicContact CE1-CG 4.08Å; Y139-L173 HydrophobicContact CG-CD1 4.11Å; Y139-L173 HydrophobicContact CG-CD2 4.39Å; Y139-L173 HydrophobicContact CG-CG 4.38Å; Q142-L173 HydrophobicContact CB-CD1 4.4Å; I143-L173 HydrophobicContact CD1-CD1 3.85Å; I143-L173 HydrophobicContact CG1-CD1 4.22Å; L166-L173 CarbonylContact O-C 3.55Å; L166-L173 VanDerWaalsContact O-CA 3.3Å; L166-L173 WeakPolarHBondContact O-CA 3.27Å; I167-L173 HydrophobicContact CG1-CD2 3.97Å
174K97.3Very high93.5Very high10 Ų1024 Ų244%0.04313%0.13CC..EExtended strand (participates in β ladder)trans-131.7109.6165-72.8-76.6-172.41660108.4P94 F95 L96 E114 I116 L166 T176P94-K174 VanDerWaalsContact O-CE 3.29Å; P94-K174 WeakPolarHBondContact O-CE 2.83Å; P94-K174 PolarHBondContact O-NZ 3.48Å; F95-K174 CarbonylContact O-C 3.51Å; F95-K174 WeakPolarHBondContact O-CA 3.34Å; L96-K174 WeakPolarHBondContact O-CD 3.41Å; L96-K174 PolarHBondContact O-NZ 3.34Å; E114-K174 VanDerWaalsContact CD-NZ 3.35Å; E114-K174 WeakPolarHBondContact OE1-CE 3.22Å; E114-K174 IonicContact OE1-NZ 2.77Å; E114-K174 PolarHBondContact OE1-NZ 3.17Å; E114-K174 WeakPolarHBondContact OE2-CE 2.94Å; E114-K174 IonicContact OE2-NZ 3.84Å; E114-K174 PolarHBondContact OE2-NZ 2.81Å; I116-K174 HydrophobicContact CD1-CB 4.23Å; I116-K174 HydrophobicContact CD1-CD 4.31Å; I116-K174 HydrophobicContact CD1-CG 3.68Å; I116-K174 HydrophobicContact CG1-CB 3.94Å; I116-K174 HydrophobicContact CG1-CG 3.97Å; I116-K174 HydrophobicContact CG2-CB 4.49Å; L166-K174 HydrophobicContact CB-CB 4.36Å; L166-K174 PolarHBondContact N-O 2.75Å; L166-K174 PolarHBondContact O-N 3.12Å; K174-T176 PolarHBondContact O-N 2.63Å
175I98.3Very high93.3Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-69.2125.8171.3-53.4-176.1000107.6F95 L96 V97 I143 A146 Y157 L165 F178F95-I175 WeakPolarHBondContact O-CG1 2.94Å; F95-I175 PolarHBondContact O-N 2.83Å; L96-I175 HydrophobicContact CD2-CB 3.72Å; L96-I175 HydrophobicContact CD2-CD1 3.75Å; L96-I175 HydrophobicContact CD2-CG1 3.96Å; L96-I175 HydrophobicContact CD2-CG2 4.45Å; V97-I175 WeakPolarHBondContact CB-O 3.48Å; V97-I175 WeakPolarHBondContact CG1-O 2.86Å; V97-I175 PolarHBondContact N-O 3.42Å; I143-I175 HydrophobicContact CD1-CD1 3.73Å; I143-I175 HydrophobicContact CD1-CG1 3.91Å; A146-I175 HydrophobicContact CB-CD1 3.59Å; Y157-I175 HydrophobicContact CD2-CG2 4.37Å; Y157-I175 HydrophobicContact CE1-CG2 3.97Å; Y157-I175 HydrophobicContact CE2-CG2 3.7Å; Y157-I175 VanDerWaalsContact CZ-CG2 3.49Å; L165-I175 HydrophobicContact CD2-CB 4.29Å; L165-I175 HydrophobicContact CD2-CD1 4.48Å; L165-I175 HydrophobicContact CD2-CG1 3.68Å; L165-I175 HydrophobicContact CD2-CG2 4.43Å; I175-F178 HydrophobicContact CG2-CE2 4.44Å
176T95.9Very high93.1Very high26 Ų2634.2 Ų34.216%0.1619%0.187CC..  trans-115.8-175.4177.1-168.50000110.7Y157 N164 L166 K174Y157-T176 PolarHBondContact OH-O 2.92Å; N164-T176 WeakPolarHBondContact O-CG2 3.48Å; N164-T176 PolarHBondContact O-N 3.22Å; L166-T176 HydrophobicContact CD1-CG2 4.03Å; L166-T176 HydrophobicContact CG-CG2 3.96Å; K174-T176 PolarHBondContact O-N 2.63Å
177D93.3Very high93.1Very high56 Ų5640.9 Ų40.930%0.29921%0.211SC..  trans50.591.1177.3-160.7-9.4000114.9K65 Y157 G179K65-D177 IonicContact NZ-OD1 2.86Å; Y157-D177 WeakPolarHBondContact CE2-O 3.33Å; Y157-D177 PolarHBondContact OH-O 2.82Å; Y157-D177 VanDerWaalsContact OH-O 3.14Å; D177-G179 VanDerWaalsContact C-N 3.35Å; D177-G179 PolarHBondContact OD1-N 2.77Å; D177-G179 VanDerWaalsContact OD1-N 3.13Å
178F95.7Very high93.2Very high0 Ų041.4 Ų41.40%021%0.214CC..  trans-99.418.9179-77.6-108.4000111.8E84 I87 L88 I91 L96 V97 L150 Y157 I175 F180 A181E84-F178 HydrophobicContact CG-CB 4.04Å; E84-F178 PolarHBondContact OE1-N 3.2Å; I87-F178 HydrophobicContact CG2-CD1 3.75Å; I87-F178 HydrophobicContact CG2-CE1 4.31Å; L88-F178 HydrophobicContact CD2-CB 4.22Å; L88-F178 HydrophobicContact CD2-CD2 3.48Å; L88-F178 VanDerWaalsContact CD2-CD2 3.48Å; L88-F178 HydrophobicContact CD2-CE2 3.95Å; L88-F178 HydrophobicContact CD2-CG 3.92Å; L88-F178 HydrophobicContact CG-CB 4.12Å; L88-F178 HydrophobicContact CG-CD2 4.3Å; L88-F178 HydrophobicContact CG-CG 4.31Å; I91-F178 HydrophobicContact CD1-CD1 4.12Å; I91-F178 HydrophobicContact CD1-CE1 3.5Å; I91-F178 HydrophobicContact CD1-CE2 4.13Å; I91-F178 HydrophobicContact CD1-CZ 3.49Å; I91-F178 VanDerWaalsContact CD1-CZ 3.49Å; L96-F178 HydrophobicContact CB-CZ 4.39Å; L96-F178 HydrophobicContact CD1-CZ 4.27Å; L96-F178 HydrophobicContact CD2-CZ 4Å; L96-F178 HydrophobicContact CG-CZ 4.44Å; V97-F178 HydrophobicContact CG1-CE2 4.44Å; L150-F178 HydrophobicContact CD1-CE1 4.17Å; L150-F178 HydrophobicContact CD2-CE1 4.1Å; Y157-F178 HydrophobicContact CD2-CD1 4.1Å; Y157-F178 HydrophobicContact CD2-CE1 4.07Å; Y157-F178 HydrophobicContact CD2-CZ 4.47Å; Y157-F178 HydrophobicContact CE2-CD1 4.28Å; Y157-F178 HydrophobicContact CE2-CD2 4.27Å; Y157-F178 HydrophobicContact CE2-CE1 4.35Å; Y157-F178 HydrophobicContact CE2-CE2 4.35Å; Y157-F178 HydrophobicContact CE2-CG 4.25Å; Y157-F178 HydrophobicContact CE2-CZ 4.4Å; I175-F178 HydrophobicContact CG2-CE2 4.44Å; F178-F180 PolarHBondContact O-N 2.77Å; F178-F180 VanDerWaalsContact O-N 3.14Å; F178-A181 HydrophobicContact CB-CB 3.92Å; F178-A181 HydrophobicContact CD1-CB 3.6Å; F178-A181 HydrophobicContact CG-CB 4.19Å; F178-A181 WeakPolarHBondContact O-CB 3.25Å; F178-A181 PolarHBondContact O-N 3.08Å
179G93Very high93.5Very high12 Ų1248.9 Ų48.912%0.12424%0.241CC..THydrogen-bonded Turntrans-56.6-31-177.600000114.1D177D177-G179 VanDerWaalsContact C-N 3.35Å; D177-G179 PolarHBondContact OD1-N 2.77Å; D177-G179 VanDerWaalsContact OD1-N 3.13Å
180F93.7Very high93.9Very high59 Ų5947.9 Ų47.926%0.25923%0.232SC..THydrogen-bonded Turntrans-102.70.4173.6-59.2-36.5000113.9Y157 R158 D159 F178 C192Y157-F180 CarbonylContact O-C 3.6Å; R158-F180 HydrophobicContact CB-CB 4.24Å; R158-F180 PolarHBondContact NE-O 3.01Å; R158-F180 PolarHBondContact NH2-O 3.19Å; D159-F180 HydrophobicContact CB-CD2 3.81Å; F178-F180 PolarHBondContact O-N 2.77Å; F178-F180 VanDerWaalsContact O-N 3.14Å; F180-C192 HydrophobicContact CD1-CB 3.91Å; F180-C192 HydrophobicContact CD2-CB 4.19Å; F180-C192 HydrophobicContact CE1-CB 4.13Å; F180-C192 HydrophobicContact CE2-CB 4.43Å; F180-C192 HydrophobicContact CG-CB 3.97Å; F180-C192 HydrophobicContact CZ-CB 4.4Å
181A96.4Very high94.3Very high1 Ų149.7 Ų49.71%0.00824%0.238CC..  trans-63.8145.8176.800000110.3N83 I87 I156 Y157 F178N83-A181 PolarHBondContact ND2-O 2.91Å; I87-A181 HydrophobicContact CD1-CB 3.65Å; I87-A181 WeakPolarHBondContact CD1-O 3.29Å; I87-A181 HydrophobicContact CG2-CB 4.5Å; I156-A181 CarbonylContact O-C 3.41Å; I156-A181 WeakPolarHBondContact O-CA 3.47Å; Y157-A181 PolarHBondContact O-N 3.41Å; F178-A181 HydrophobicContact CB-CB 3.92Å; F178-A181 HydrophobicContact CD1-CB 3.6Å; F178-A181 HydrophobicContact CG-CB 4.19Å; F178-A181 WeakPolarHBondContact O-CB 3.25Å; F178-A181 PolarHBondContact O-N 3.08Å
182K95.1Very high94.4Very high51 Ų5150.2 Ų50.222%0.22224%0.242CC..EExtended strand (participates in β ladder)trans-150.2139.6179-168.7167-176.1141.60111.6E79 L155 I156 V184E79-K182 IonicContact OE1-NZ 3.79Å; E79-K182 PolarHBondContact OE1-NZ 3.42Å; L155-K182 WeakPolarHBondContact CA-O 3.37Å; I156-K182 PolarHBondContact N-O 2.95Å; I156-K182 PolarHBondContact O-N 2.85Å; K182-V184 HydrophobicContact CB-CG2 4.02Å; K182-V184 HydrophobicContact CD-CG2 4.12Å; K182-V184 HydrophobicContact CG-CG2 3.73Å; K182-V184 PolarHBondContact O-N 2.87Å
183R95.4Very high94.4Very high76 Ų7651.1 Ų51.129%0.28725%0.253SS..EExtended strand (participates in β ladder)trans-79.3114170.5-162.1174.8-178.5-172.4-1.8110.2W23 D154 L155W23-R183 HydrophobicContact CH2-CB 4.23Å; W23-R183 HydrophobicContact CZ2-CB 4.36Å; W23-R183 VanDerWaalsContact NE1-NH1 3.17Å; D154-R183 HydrophobicContact CB-CG 4.18Å; D154-R183 CarbonylContact O-C 3.5Å; D154-R183 VanDerWaalsContact O-CA 3.27Å; D154-R183 WeakPolarHBondContact O-CA 3.43Å; L155-R183 HydrophobicContact CD2-CB 3.77Å; L155-R183 HydrophobicContact CD2-CG 4.17Å
184V93Very high94.3Very high14 Ų1452.3 Ų52.39%0.08526%0.26CS..  trans-139113.3-173.6-175.40000110.3D154 I156 K182 T188D154-V184 PolarHBondContact O-N 3.14Å; I156-V184 HydrophobicContact CD1-CB 3.8Å; I156-V184 HydrophobicContact CD1-CG1 4.25Å; I156-V184 HydrophobicContact CD1-CG2 4.04Å; I156-V184 HydrophobicContact CG1-CB 4.37Å; K182-V184 HydrophobicContact CB-CG2 4.02Å; K182-V184 HydrophobicContact CD-CG2 4.12Å; K182-V184 HydrophobicContact CG-CG2 3.73Å; K182-V184 PolarHBondContact O-N 2.87Å; V184-T188 HydrophobicContact CG2-CG2 4.43Å
185K91.5Very high94.3Very high176 Ų17653.3 Ų53.377%0.76527%0.268SS*.SBendtrans-80.9-27.7171.3-68.4-174.9177.4-178.30113.3D154D154-K185 HydrophobicContact CB-CG 4.36Å
186G93.4Very high94.2Very high48 Ų4856 Ų5650%0.49528%0.28SS..SBendtrans-112.9-119.6-177.200000112.4
187R94.8Very high94.4Very high162 Ų16255.5 Ų55.561%0.61128%0.275SS*.  trans-115.4158.7176.1-67.8178.4177.7-175.51.2110.9W189 G207 Y208R187-W189 HydrophobicContact CB-CH2 4.04Å; R187-W189 HydrophobicContact CB-CZ2 4.16Å; R187-W189 HydrophobicContact CB-CZ3 4.5Å; R187-W189 WeakPolarHBondContact O-CZ3 2.99Å; R187-G207 WeakPolarHBondContact CD-O 3.5Å; R187-Y208 CarbonylContact C-O 3.44Å; R187-Y208 WeakPolarHBondContact CA-O 3.35Å
188T95Very high94.6Very high10 Ų1053.1 Ų53.16%0.06126%0.262CS..BIsolated β-bridgetrans-130.6166.2168.4-166.70000109.9V184 G207 Y208V184-T188 HydrophobicContact CG2-CG2 4.43Å; T188-G207 WeakPolarHBondContact O-CA 3.48Å; T188-Y208 HydrophobicContact CG2-CD1 4.48Å; T188-Y208 HydrophobicContact CG2-CD2 3.88Å; T188-Y208 HydrophobicContact CG2-CE1 3.99Å; T188-Y208 HydrophobicContact CG2-CE2 3.3Å; T188-Y208 HydrophobicContact CG2-CG 4.43Å; T188-Y208 PolarHBondContact N-O 3.13Å; T188-Y208 VanDerWaalsContact O-CD1 3.28Å; T188-Y208 WeakPolarHBondContact O-CD1 3.48Å; T188-Y208 PolarHBondContact O-N 3.3Å
189W95.9Very high94.7Very high174 Ų17453.1 Ų53.166%0.65926%0.263SS*.  trans-131.3-4.1-169.9-66-99000113.8R187 L191R187-W189 HydrophobicContact CB-CH2 4.04Å; R187-W189 HydrophobicContact CB-CZ2 4.16Å; R187-W189 HydrophobicContact CB-CZ3 4.5Å; R187-W189 WeakPolarHBondContact O-CZ3 2.99Å; W189-L191 PolarHBondContact O-N 3.49Å
190T92.1Very high94.9Very high52 Ų5252.6 Ų52.632%0.31926%0.257SS..  trans-64.9125.6-177.4-49.60000110.5C192 Y208T190-C192 HydrophobicContact CG2-CB 4.3Å; T190-C192 PolarHBondContact O-N 3.37Å; T190-Y208 VanDerWaalsContact O-CE1 3.32Å; T190-Y208 WeakPolarHBondContact O-CE1 3.48Å; T190-Y208 PolarHBondContact O-OH 2.9Å
191L92.9Very high95.1Very high111 Ų11150.2 Ų50.258%0.58125%0.247SC*.  trans-75.9105.1167.8178.867.2000108.6W189 L198 I202W189-L191 PolarHBondContact O-N 3.49Å; L191-L198 HydrophobicContact CD1-CD1 4.1Å; L191-I202 HydrophobicContact CD1-CG2 3.64Å
192C91.9Very high95.2Very high12 Ų1250.5 Ų50.58%0.08125%0.248CC..  trans-150.9160.2177.761.90000110.5R158 F180 T190 L198R158-C192 VanDerWaalsContact CZ-SG 3.54Å; R158-C192 PolarHBondContact NH1-SG 3.14Å; F180-C192 HydrophobicContact CD1-CB 3.91Å; F180-C192 HydrophobicContact CD2-CB 4.19Å; F180-C192 HydrophobicContact CE1-CB 4.13Å; F180-C192 HydrophobicContact CE2-CB 4.43Å; F180-C192 HydrophobicContact CG-CB 3.97Å; F180-C192 HydrophobicContact CZ-CB 4.4Å; T190-C192 HydrophobicContact CG2-CB 4.3Å; T190-C192 PolarHBondContact O-N 3.37Å; C192-L198 WeakPolarHBondContact O-CD2 3.35Å
193G91.9Very high95.3Very high24 Ų2449.7 Ų49.725%0.24725%0.246CC..SBendtrans112.6-176.3-175.600000112.1D159D159-G193 WeakPolarHBondContact OD1-CA 3.24Å
194T93.8Very high95.3Very high24 Ų2449.9 Ų49.915%0.14725%0.252CS..  trans-96.5134-176.1-56.60000110.5D159 K161 E196 Y197 L198D159-T194 PolarHBondContact OD1-N 3.3Å; D159-T194 PolarHBondContact OD1-OG1 2.94Å; K161-T194 HydrophobicContact CD-CG2 4.19Å; K161-T194 VanDerWaalsContact CD-OG1 3.28Å; K161-T194 WeakPolarHBondContact CD-OG1 3.27Å; K161-T194 WeakPolarHBondContact CE-OG1 3.31Å; K161-T194 PolarHBondContact NZ-OG1 3.13Å; T194-E196 VanDerWaalsContact C-N 3.32Å; T194-E196 PolarHBondContact O-N 3Å; T194-E196 VanDerWaalsContact O-N 3.11Å; T194-Y197 PolarHBondContact O-N 2.86Å; T194-L198 PolarHBondContact O-N 2.8Å
195P96.7Very high95.4Very high32 Ų3253.8 Ų53.821%0.20828%0.28CS..G310 helixtrans-48.6-43.8-167-32.437.2000116Y197 L198 P236 I239 Y240 I243P195-Y197 PolarHBondContact O-N 2.77Å; P195-L198 PolarHBondContact O-N 3.06Å; P195-P236 HydrophobicContact CB-CB 4.42Å; P195-P236 HydrophobicContact CG-CB 4.38Å; P195-I239 HydrophobicContact CB-CD1 4.22Å; P195-Y240 HydrophobicContact CB-CE1 3.85Å; P195-I243 VanDerWaalsContact O-CD1 3.28Å; P195-I243 WeakPolarHBondContact O-CD1 3.35Å
196E97.7Very high95.5Very high56 Ų5651.3 Ų51.326%0.26227%0.269SS..G310 helixtrans-66.2-25.2-178.4-65.184.1169.300113.1T194 V219 P229 I239T194-E196 VanDerWaalsContact C-N 3.32Å; T194-E196 PolarHBondContact O-N 3Å; T194-E196 VanDerWaalsContact O-N 3.11Å; E196-V219 WeakPolarHBondContact O-CG1 3.3Å; E196-P229 HydrophobicContact CB-CB 4.23Å; E196-P229 HydrophobicContact CG-CB 4.38Å; E196-P229 HydrophobicContact CG-CG 4.11Å; E196-I239 HydrophobicContact CG-CD1 4.2Å
197Y98.4Very high95.6Very high15 Ų1549.7 Ų49.76%0.05925%0.252CS..G310 helixtrans-101.2-8.3-174.4-75.7-89.8000113.6L160 K161 P162 T194 P195 A199 A216 V219 L220 E223L160-Y197 WeakPolarHBondContact O-CD1 3.45Å; L160-Y197 WeakPolarHBondContact O-CE1 3.3Å; K161-Y197 HydrophobicContact CB-CD2 3.94Å; K161-Y197 HydrophobicContact CB-CE2 3.71Å; K161-Y197 HydrophobicContact CB-CG 4.46Å; P162-Y197 WeakPolarHBondContact CD-OH 3.2Å; T194-Y197 PolarHBondContact O-N 2.86Å; P195-Y197 PolarHBondContact O-N 2.77Å; Y197-A199 PolarHBondContact O-N 2.81Å; Y197-A216 HydrophobicContact CD1-CB 4.18Å; Y197-V219 HydrophobicContact CD1-CB 3.64Å; Y197-V219 HydrophobicContact CD1-CG1 3.5Å; Y197-V219 HydrophobicContact CD2-CG1 4.28Å; Y197-V219 HydrophobicContact CE1-CB 3.72Å; Y197-V219 HydrophobicContact CE1-CG1 3.43Å; Y197-V219 VanDerWaalsContact CE1-CG1 3.43Å; Y197-V219 HydrophobicContact CE2-CG1 4.21Å; Y197-V219 HydrophobicContact CG-CB 4.43Å; Y197-V219 HydrophobicContact CG-CG1 3.94Å; Y197-L220 HydrophobicContact CE1-CB 4Å; Y197-E223 PolarHBondContact OH-OE2 2.65Å
198L98.1Very high95.7Very high6 Ų642.1 Ų42.13%0.03122%0.224CC..  trans-63.5133.9-179.8-65.8-174.2000111.3L191 C192 T194 P195 I202 I203 W215 Y240L191-L198 HydrophobicContact CD1-CD1 4.1Å; C192-L198 WeakPolarHBondContact O-CD2 3.35Å; T194-L198 PolarHBondContact O-N 2.8Å; P195-L198 PolarHBondContact O-N 3.06Å; L198-I202 HydrophobicContact CD2-CD1 4.31Å; L198-I202 HydrophobicContact CD2-CG2 4.32Å; L198-I203 HydrophobicContact CB-CD1 4.05Å; L198-I203 HydrophobicContact CB-CG1 4.01Å; L198-I203 HydrophobicContact CD1-CG1 4.22Å; L198-W215 PolarHBondContact O-NE1 3.31Å; L198-Y240 HydrophobicContact CD1-CE1 3.77Å
199A98.2Very high95.7Very high1 Ų143.8 Ų43.81%0.00823%0.233CC..  trans-74.4150.1171.700000110.7Y197 E201 I202 I203 V212 W215Y197-A199 PolarHBondContact O-N 2.81Å; A199-E201 HydrophobicContact CB-CG 4.34Å; A199-E201 PolarHBondContact O-N 3.29Å; A199-I202 HydrophobicContact CB-CD1 4.39Å; A199-I202 HydrophobicContact CB-CG1 4.32Å; A199-I202 WeakPolarHBondContact O-CB 3.37Å; A199-I202 PolarHBondContact O-N 3.32Å; A199-I203 PolarHBondContact O-N 2.87Å; A199-V212 HydrophobicContact CB-CB 3.97Å; A199-V212 HydrophobicContact CB-CG1 3.82Å; A199-W215 HydrophobicContact CB-CB 3.96Å; A199-W215 HydrophobicContact CB-CD2 4.28Å; A199-W215 HydrophobicContact CB-CG 3.77Å
200P98Very high95.8Very high1 Ų138 Ų381%0.00621%0.212CC..Hα-helixtrans-59.5-33.5-176.222.4-33000112.7I202 I203 L204 W215 I243 V268P200-I202 VanDerWaalsContact C-N 3.31Å; P200-I202 PolarHBondContact O-N 3.36Å; P200-I203 PolarHBondContact O-N 3.38Å; P200-L204 WeakPolarHBondContact O-CB 3.43Å; P200-L204 WeakPolarHBondContact O-CG 3.49Å; P200-L204 PolarHBondContact O-N 2.92Å; P200-W215 HydrophobicContact CG-CE3 4.3Å; P200-W215 HydrophobicContact CG-CH2 4.06Å; P200-W215 HydrophobicContact CG-CZ3 3.9Å; P200-I243 HydrophobicContact CB-CG2 4.14Å; P200-V268 HydrophobicContact CB-CG1 4.4Å; P200-V268 HydrophobicContact CG-CB 4.49Å; P200-V268 HydrophobicContact CG-CG1 4.16Å; P200-V268 HydrophobicContact CG-CG2 4.38Å
201E97.6Very high96.1Very high8 Ų835.5 Ų35.54%0.03720%0.197CC..Hα-helixtrans-66.1-28.717661.6-88.8-155.300114.1A199 S205 K206 V212 L270 R273A199-E201 HydrophobicContact CB-CG 4.34Å; A199-E201 PolarHBondContact O-N 3.29Å; E201-S205 PolarHBondContact O-N 3.45Å; E201-K206 HydrophobicContact CB-CB 4.28Å; E201-K206 WeakPolarHBondContact O-CB 3.41Å; E201-K206 PolarHBondContact O-N 2.8Å; E201-V212 HydrophobicContact CG-CG1 4.12Å; E201-V212 WeakPolarHBondContact OE1-CG1 3.38Å; E201-L270 WeakPolarHBondContact OE1-CD2 3.13Å; E201-R273 IonicContact OE1-CZ 3.55Å; E201-R273 IonicContact OE1-NH1 2.69Å; E201-R273 PolarHBondContact OE1-NH1 3.08Å; E201-R273 IonicContact OE1-NH2 3.56Å; E201-R273 IonicContact OE2-CZ 3.64Å; E201-R273 IonicContact OE2-NH1 3.48Å; E201-R273 PolarHBondContact OE2-NH1 3.49Å; E201-R273 IonicContact OE2-NH2 2.88Å; E201-R273 PolarHBondContact OE2-NH2 2.88Å
202I97.4Very high96.3Very high8 Ų830.4 Ų30.44%0.04117%0.17CC..Hα-helixtrans-70.7-48.5174.1-57.4-180000109.2L191 L198 A199 P200 L204 S205 Y208 V212L191-I202 HydrophobicContact CD1-CG2 3.64Å; L198-I202 HydrophobicContact CD2-CD1 4.31Å; L198-I202 HydrophobicContact CD2-CG2 4.32Å; A199-I202 HydrophobicContact CB-CD1 4.39Å; A199-I202 HydrophobicContact CB-CG1 4.32Å; A199-I202 WeakPolarHBondContact O-CB 3.37Å; A199-I202 PolarHBondContact O-N 3.32Å; P200-I202 VanDerWaalsContact C-N 3.31Å; P200-I202 PolarHBondContact O-N 3.36Å; I202-L204 VanDerWaalsContact C-N 3.3Å; I202-L204 PolarHBondContact O-N 2.81Å; I202-S205 WeakPolarHBondContact O-CA 3.41Å; I202-S205 PolarHBondContact O-N 3.39Å; I202-Y208 HydrophobicContact CB-CD1 4.5Å; I202-Y208 HydrophobicContact CD1-CD2 4.45Å; I202-Y208 HydrophobicContact CD1-CE1 4.48Å; I202-Y208 HydrophobicContact CD1-CE2 4.29Å; I202-Y208 HydrophobicContact CG1-CD1 3.77Å; I202-Y208 HydrophobicContact CG1-CD2 4.23Å; I202-Y208 HydrophobicContact CG1-CE1 3.94Å; I202-Y208 HydrophobicContact CG1-CE2 4.38Å; I202-Y208 HydrophobicContact CG1-CG 3.92Å; I202-Y208 HydrophobicContact CG2-CE1 4.3Å; I202-V212 HydrophobicContact CD1-CB 3.98Å; I202-V212 HydrophobicContact CD1-CG1 3.82Å; I202-V212 HydrophobicContact CD1-CG2 4.36Å; I202-V212 HydrophobicContact CG1-CG1 3.85Å
203I96.9Very high96.7Very high33 Ų3329.9 Ų29.917%0.16917%0.167CC..Hα-helixtrans-60.1-42.5179.7-67.3162000110.8L198 A199 P200 S205 Y240 I243 V244L198-I203 HydrophobicContact CB-CD1 4.05Å; L198-I203 HydrophobicContact CB-CG1 4.01Å; L198-I203 HydrophobicContact CD1-CG1 4.22Å; A199-I203 PolarHBondContact O-N 2.87Å; P200-I203 PolarHBondContact O-N 3.38Å; I203-S205 PolarHBondContact O-N 2.83Å; I203-S205 VanDerWaalsContact O-N 3.14Å; I203-Y240 HydrophobicContact CD1-CD1 3.8Å; I203-Y240 HydrophobicContact CD1-CG 4.26Å; I203-Y240 HydrophobicContact CG1-CD1 3.95Å; I203-Y240 HydrophobicContact CG1-CG 4.26Å; I203-Y240 HydrophobicContact CG2-CG 4.18Å; I203-I243 HydrophobicContact CD1-CB 3.76Å; I203-I243 HydrophobicContact CD1-CD1 3.79Å; I203-I243 HydrophobicContact CD1-CG1 4.38Å; I203-I243 HydrophobicContact CD1-CG2 3.45Å; I203-I243 VanDerWaalsContact CD1-CG2 3.45Å; I203-V244 HydrophobicContact CB-CG2 4.3Å; I203-V244 HydrophobicContact CG2-CG2 3.76Å
204L95.9Very high97Very high81 Ų8129 Ų2942%0.42416%0.156SC..THydrogen-bonded Turntrans-76.18.7177.5-64.3173.4000113.3P200 I202 K206 V244P200-L204 WeakPolarHBondContact O-CB 3.43Å; P200-L204 WeakPolarHBondContact O-CG 3.49Å; P200-L204 PolarHBondContact O-N 2.92Å; I202-L204 VanDerWaalsContact C-N 3.3Å; I202-L204 PolarHBondContact O-N 2.81Å; L204-K206 HydrophobicContact CB-CD 4.36Å; L204-K206 HydrophobicContact CB-CG 4.2Å; L204-K206 PolarHBondContact O-N 2.86Å; L204-K206 VanDerWaalsContact O-N 3.15Å; L204-V244 HydrophobicContact CD1-CG1 4.44Å; L204-V244 HydrophobicContact CD2-CG1 4.11Å; L204-V244 HydrophobicContact CD2-CG2 4.08Å; L204-V244 HydrophobicContact CG-CG2 4.13Å
205S94.7Very high97.2Very high96 Ų9627.9 Ų27.967%0.67115%0.149SC*.THydrogen-bonded Turntrans53.434.1179-59.10000113.7E201 I202 I203E201-S205 PolarHBondContact O-N 3.45Å; I202-S205 WeakPolarHBondContact O-CA 3.41Å; I202-S205 PolarHBondContact O-N 3.39Å; I203-S205 PolarHBondContact O-N 2.83Å; I203-S205 VanDerWaalsContact O-N 3.14Å
206K95.5Very high97.3Very high124 Ų12426.7 Ų26.754%0.53914%0.142SC..  trans-89.3147.5174.7-62.5179.8-177.9176.30109.2E201 L204 Y208E201-K206 HydrophobicContact CB-CB 4.28Å; E201-K206 WeakPolarHBondContact O-CB 3.41Å; E201-K206 PolarHBondContact O-N 2.8Å; L204-K206 HydrophobicContact CB-CD 4.36Å; L204-K206 HydrophobicContact CB-CG 4.2Å; L204-K206 PolarHBondContact O-N 2.86Å; L204-K206 VanDerWaalsContact O-N 3.15Å; K206-Y208 PolarHBondContact O-N 3.45Å
207G94.9Very high97.4Very high13 Ų1324 Ų2413%0.13413%0.129CC..  trans-60.2123.917200000110.4R187 T188R187-G207 WeakPolarHBondContact CD-O 3.5Å; T188-G207 WeakPolarHBondContact O-CA 3.48Å
208Y96.8Very high97.4Very high3 Ų323.3 Ų23.31%0.01213%0.126CC..BIsolated β-bridgetrans-120.9165.6-17366-94.8000112.1R158 R187 T188 T190 I202 K206 V212R158-Y208 WeakPolarHBondContact CD-OH 3.28Å; R158-Y208 HydrophobicContact CG-CE2 4.48Å; R158-Y208 PolarHBondContact NH1-OH 3.4Å; R187-Y208 CarbonylContact C-O 3.44Å; R187-Y208 WeakPolarHBondContact CA-O 3.35Å; T188-Y208 HydrophobicContact CG2-CD1 4.48Å; T188-Y208 HydrophobicContact CG2-CD2 3.88Å; T188-Y208 HydrophobicContact CG2-CE1 3.99Å; T188-Y208 HydrophobicContact CG2-CE2 3.3Å; T188-Y208 HydrophobicContact CG2-CG 4.43Å; T188-Y208 PolarHBondContact N-O 3.13Å; T188-Y208 VanDerWaalsContact O-CD1 3.28Å; T188-Y208 WeakPolarHBondContact O-CD1 3.48Å; T188-Y208 PolarHBondContact O-N 3.3Å; T190-Y208 VanDerWaalsContact O-CE1 3.32Å; T190-Y208 WeakPolarHBondContact O-CE1 3.48Å; T190-Y208 PolarHBondContact O-OH 2.9Å; I202-Y208 HydrophobicContact CB-CD1 4.5Å; I202-Y208 HydrophobicContact CD1-CD2 4.45Å; I202-Y208 HydrophobicContact CD1-CE1 4.48Å; I202-Y208 HydrophobicContact CD1-CE2 4.29Å; I202-Y208 HydrophobicContact CG1-CD1 3.77Å; I202-Y208 HydrophobicContact CG1-CD2 4.23Å; I202-Y208 HydrophobicContact CG1-CE1 3.94Å; I202-Y208 HydrophobicContact CG1-CE2 4.38Å; I202-Y208 HydrophobicContact CG1-CG 3.92Å; I202-Y208 HydrophobicContact CG2-CE1 4.3Å; K206-Y208 PolarHBondContact O-N 3.45Å; Y208-V212 HydrophobicContact CD2-CB 4.41Å; Y208-V212 HydrophobicContact CD2-CG1 3.55Å; Y208-V212 HydrophobicContact CD2-CG2 3.98Å; Y208-V212 HydrophobicContact CE2-CG1 4.4Å; Y208-V212 HydrophobicContact CE2-CG2 4.2Å; Y208-V212 HydrophobicContact CG-CG1 3.9Å
209N95.5Very high97.4Very high46 Ų4623 Ų2325%0.24613%0.125CC..  trans-135.7-161.9-176.669.72.7000110.7A211 V212N209-A211 PolarHBondContact O-N 3Å; N209-A211 WeakPolarHBondContact OD1-CB 3.38Å; N209-A211 PolarHBondContact OD1-N 3.03Å; N209-V212 WeakPolarHBondContact O-CG2 3.47Å; N209-V212 PolarHBondContact O-N 2.81Å
210K97.2Very high97.5Very high51 Ų5123 Ų2322%0.22213%0.125CC..THydrogen-bonded Turntrans-51.1-20177.6-63.3166.8-173.6-179.70114.7H151 D154 I156 V212 D213H151-K210 HydrophobicContact CB-CD 3.93Å; H151-K210 HydrophobicContact CB-CG 4.5Å; H151-K210 PolarHBondContact CE1-O 2.93Å; H151-K210 WeakPolarHBondContact O-CE 3.45Å; H151-K210 PolarHBondContact O-NZ 2.91Å; D154-K210 IonicContact OD1-NZ 3.13Å; D154-K210 PolarHBondContact OD1-NZ 3.4Å; I156-K210 HydrophobicContact CD1-CG 4.3Å; I156-K210 HydrophobicContact CG1-CG 3.77Å; K210-V212 PolarHBondContact O-N 3.45Å; K210-D213 PolarHBondContact O-N 2.81Å
211A97.7Very high97.5Very high1 Ų123 Ų231%0.00812%0.124CC..Hα-helixtrans-63.2-19.1179.700000114.8N209 W214 W215 L270 R273 N276N209-A211 PolarHBondContact O-N 3Å; N209-A211 WeakPolarHBondContact OD1-CB 3.38Å; N209-A211 PolarHBondContact OD1-N 3.03Å; A211-W214 PolarHBondContact O-N 3.39Å; A211-W215 PolarHBondContact O-N 3.33Å; A211-L270 HydrophobicContact CB-CD2 4.06Å; A211-R273 PolarHBondContact O-NH1 3.34Å; A211-R273 VanDerWaalsContact O-NH1 3.07Å; A211-N276 HydrophobicContact CB-CB 3.86Å
212V98.3Very high97.6Very high4 Ų422.9 Ų22.92%0.02412%0.124CC..Hα-helixtrans-70.8-33.3177.2-56.30000112I156 R158 A199 E201 I202 Y208 N209 K210 W214 W215 A216I156-V212 HydrophobicContact CG2-CG2 3.91Å; R158-V212 HydrophobicContact CG-CG2 4.43Å; A199-V212 HydrophobicContact CB-CB 3.97Å; A199-V212 HydrophobicContact CB-CG1 3.82Å; E201-V212 HydrophobicContact CG-CG1 4.12Å; E201-V212 WeakPolarHBondContact OE1-CG1 3.38Å; I202-V212 HydrophobicContact CD1-CB 3.98Å; I202-V212 HydrophobicContact CD1-CG1 3.82Å; I202-V212 HydrophobicContact CD1-CG2 4.36Å; I202-V212 HydrophobicContact CG1-CG1 3.85Å; Y208-V212 HydrophobicContact CD2-CB 4.41Å; Y208-V212 HydrophobicContact CD2-CG1 3.55Å; Y208-V212 HydrophobicContact CD2-CG2 3.98Å; Y208-V212 HydrophobicContact CE2-CG1 4.4Å; Y208-V212 HydrophobicContact CE2-CG2 4.2Å; Y208-V212 HydrophobicContact CG-CG1 3.9Å; N209-V212 WeakPolarHBondContact O-CG2 3.47Å; N209-V212 PolarHBondContact O-N 2.81Å; K210-V212 PolarHBondContact O-N 3.45Å; V212-W214 VanDerWaalsContact C-N 3.33Å; V212-W214 PolarHBondContact O-N 2.95Å; V212-W215 WeakPolarHBondContact O-CB 3.37Å; V212-W215 PolarHBondContact O-N 2.57Å; V212-A216 PolarHBondContact O-N 2.97Å
213D98.7Very high97.6Very high1 Ų122.8 Ų22.81%0.00512%0.123CC..Hα-helixtrans-66.4-38.6176.4-72.9-19.2000110.3F147 H151 I156 Y157 R158 K210 A216 L217F147-D213 HydrophobicContact CD2-CB 3.93Å; F147-D213 HydrophobicContact CE1-CB 4.28Å; F147-D213 HydrophobicContact CE2-CB 3.64Å; F147-D213 VanDerWaalsContact CE2-O 3.25Å; F147-D213 WeakPolarHBondContact CE2-O 3.34Å; F147-D213 HydrophobicContact CG-CB 4.36Å; F147-D213 HydrophobicContact CZ-CB 3.81Å; H151-D213 IonicContact CD2-OD2 2.81Å; H151-D213 IonicContact CE1-OD2 2.57Å; H151-D213 IonicContact NE2-OD2 3.93Å; H151-D213 PolarHBondContact NE2-OD2 2.99Å; I156-D213 WeakPolarHBondContact CA-OD2 3.3Å; I156-D213 VanDerWaalsContact CG2-OD2 3.3Å; I156-D213 WeakPolarHBondContact CG2-OD2 3.28Å; Y157-D213 PolarHBondContact N-OD1 3.07Å; Y157-D213 PolarHBondContact N-OD2 2.71Å; R158-D213 PolarHBondContact N-OD1 3.4Å; K210-D213 PolarHBondContact O-N 2.81Å; D213-A216 PolarHBondContact O-N 2.81Å; D213-L217 PolarHBondContact O-N 3.48Å
214W98.8Very high97.6Very high6 Ų621.2 Ų21.22%0.02312%0.115CC..Hα-helixtrans-68.7-32.7175.7-60.4123.2000113.2V144 F147 H151 A211 V212 L217 G218 L265 G275 V281 I284V144-W214 HydrophobicContact CG1-CZ3 4.5Å; V144-W214 HydrophobicContact CG2-CZ3 4.27Å; F147-W214 HydrophobicContact CB-CH2 3.56Å; F147-W214 HydrophobicContact CB-CZ2 4.04Å; F147-W214 HydrophobicContact CB-CZ3 3.91Å; F147-W214 HydrophobicContact CD2-CE3 4.07Å; F147-W214 HydrophobicContact CD2-CH2 4.43Å; F147-W214 AromaticContact CD2-CZ3 3.95Å; F147-W214 HydrophobicContact CD2-CZ3 3.95Å; F147-W214 HydrophobicContact CG-CZ3 4.47Å; H151-W214 AromaticContact CE1-CE2 3.67Å; H151-W214 AromaticContact CE1-CZ2 3.93Å; H151-W214 AromaticContact CE1-NE1 3.47Å; H151-W214 PolarHBondContact CE1-NE1 3.01Å; H151-W214 AromaticContact ND1-CE2 3.67Å; H151-W214 AromaticContact ND1-CZ2 3.65Å; H151-W214 AromaticContact ND1-NE1 3.41Å; H151-W214 PolarHBondContact ND1-NE1 2.91Å; A211-W214 PolarHBondContact O-N 3.39Å; V212-W214 VanDerWaalsContact C-N 3.33Å; V212-W214 PolarHBondContact O-N 2.95Å; W214-L217 HydrophobicContact CE3-CD2 3.72Å; W214-L217 HydrophobicContact CZ3-CD2 3.88Å; W214-G218 PolarHBondContact O-N 2.93Å; W214-L265 HydrophobicContact CB-CD2 4.38Å; W214-G275 PolarHBondContact NE1-O 3.08Å; W214-V281 HydrophobicContact CH2-CB 4.27Å; W214-V281 HydrophobicContact CH2-CG2 3.61Å; W214-V281 HydrophobicContact CZ2-CB 4.17Å; W214-V281 HydrophobicContact CZ2-CG2 4.03Å; W214-V281 HydrophobicContact CZ3-CG2 4.4Å; W214-I284 HydrophobicContact CD2-CD1 3.65Å; W214-I284 HydrophobicContact CE3-CD1 3.29Å; W214-I284 HydrophobicContact CG-CD1 4.26Å; W214-I284 HydrophobicContact CH2-CD1 4.27Å; W214-I284 HydrophobicContact CZ3-CD1 3.63Å
215W98.8Very high97.7Very high0 Ų017.4 Ų17.40%010%0.095CC..Hα-helixtrans-62.4-50.3168.7172.1-82.4000110.8L198 A199 P200 A211 V212 L217 G218 V219 F231 I243 L266 V268L198-W215 PolarHBondContact O-NE1 3.31Å; A199-W215 HydrophobicContact CB-CB 3.96Å; A199-W215 HydrophobicContact CB-CD2 4.28Å; A199-W215 HydrophobicContact CB-CG 3.77Å; P200-W215 HydrophobicContact CG-CE3 4.3Å; P200-W215 HydrophobicContact CG-CH2 4.06Å; P200-W215 HydrophobicContact CG-CZ3 3.9Å; A211-W215 PolarHBondContact O-N 3.33Å; V212-W215 WeakPolarHBondContact O-CB 3.37Å; V212-W215 PolarHBondContact O-N 2.57Å; W215-L217 PolarHBondContact O-N 2.79Å; W215-G218 WeakPolarHBondContact O-CA 3.1Å; W215-G218 PolarHBondContact O-N 3.34Å; W215-V219 PolarHBondContact O-N 3.26Å; W215-F231 HydrophobicContact CH2-CE2 4.17Å; W215-F231 HydrophobicContact CH2-CZ 4.27Å; W215-F231 HydrophobicContact CZ2-CD2 4.46Å; W215-F231 AromaticContact CZ2-CE2 3.6Å; W215-F231 HydrophobicContact CZ2-CE2 3.6Å; W215-F231 HydrophobicContact CZ2-CZ 4.15Å; W215-I243 HydrophobicContact CH2-CG2 4.36Å; W215-I243 HydrophobicContact CZ2-CG2 3.75Å; W215-L266 HydrophobicContact CD2-CD2 4.13Å; W215-L266 HydrophobicContact CE3-CD2 4.42Å; W215-L266 HydrophobicContact CZ2-CD2 4.33Å; W215-L266 VanDerWaalsContact CZ3-C 3.43Å; W215-L266 HydrophobicContact CZ3-CB 4.35Å; W215-V268 HydrophobicContact CH2-CG2 4.48Å; W215-V268 HydrophobicContact CZ3-CG2 4.38Å
216A98.8Very high97.9Very high6 Ų613.3 Ų13.35%0.057%0.067CC..Hα-helixtrans-60.4-34.8179.300000111.9L160 Y197 V212 D213 G218 V219 L220L160-A216 HydrophobicContact CB-CB 3.95Å; L160-A216 HydrophobicContact CD2-CB 4.24Å; Y197-A216 HydrophobicContact CD1-CB 4.18Å; V212-A216 PolarHBondContact O-N 2.97Å; D213-A216 PolarHBondContact O-N 2.81Å; A216-G218 VanDerWaalsContact C-N 3.32Å; A216-G218 PolarHBondContact O-N 3.14Å; A216-V219 PolarHBondContact O-N 3.09Å; A216-L220 WeakPolarHBondContact O-CB 3.33Å; A216-L220 PolarHBondContact O-N 2.93Å
217L98.9Very high97.9Very high0 Ų07.9 Ų7.90%05%0.046CC..Hα-helixtrans-59.5-42.4170.5175.265.4000111.6A140 I143 V144 F147 L160 D213 W214 W215 V219 L220 I221 L265A140-L217 HydrophobicContact CB-CD1 4.4Å; I143-L217 HydrophobicContact CB-CD1 4.02Å; I143-L217 HydrophobicContact CG2-CD1 3.86Å; V144-L217 HydrophobicContact CG2-CD2 3.56Å; F147-L217 HydrophobicContact CE2-CB 4.33Å; L160-L217 HydrophobicContact CD2-CB 4.33Å; D213-L217 PolarHBondContact O-N 3.48Å; W214-L217 HydrophobicContact CE3-CD2 3.72Å; W214-L217 HydrophobicContact CZ3-CD2 3.88Å; W215-L217 PolarHBondContact O-N 2.79Å; L217-V219 VanDerWaalsContact C-N 3.34Å; L217-L220 PolarHBondContact O-N 2.76Å; L217-I221 HydrophobicContact CD1-CD1 3.86Å; L217-I221 HydrophobicContact CD1-CG1 4.02Å; L217-I221 HydrophobicContact CD2-CD1 4.42Å; L217-I221 HydrophobicContact CG-CD1 3.82Å; L217-I221 HydrophobicContact CG-CG1 4.36Å; L217-I221 WeakPolarHBondContact O-CB 3.3Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.36Å; L217-I221 PolarHBondContact O-N 2.89Å; L217-L265 HydrophobicContact CD2-CD1 4.36Å; L217-L265 HydrophobicContact CG-CD1 4.35Å
218G98.9Very high98.1Very high0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-60.2-43.2174.300000112.5W214 W215 A216 Y222 L262W214-G218 PolarHBondContact O-N 2.93Å; W215-G218 WeakPolarHBondContact O-CA 3.1Å; W215-G218 PolarHBondContact O-N 3.34Å; A216-G218 VanDerWaalsContact C-N 3.32Å; A216-G218 PolarHBondContact O-N 3.14Å; G218-Y222 WeakPolarHBondContact O-CB 3.37Å; G218-Y222 PolarHBondContact O-N 3.46Å; G218-L262 WeakPolarHBondContact O-CD2 3.49Å
219V98.8Very high98.1Very high0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-62.7-46.3176-179.70000110.1E196 Y197 W215 A216 L217 Y222 E223 P230 L266E196-V219 WeakPolarHBondContact O-CG1 3.3Å; Y197-V219 HydrophobicContact CD1-CB 3.64Å; Y197-V219 HydrophobicContact CD1-CG1 3.5Å; Y197-V219 HydrophobicContact CD2-CG1 4.28Å; Y197-V219 HydrophobicContact CE1-CB 3.72Å; Y197-V219 HydrophobicContact CE1-CG1 3.43Å; Y197-V219 VanDerWaalsContact CE1-CG1 3.43Å; Y197-V219 HydrophobicContact CE2-CG1 4.21Å; Y197-V219 HydrophobicContact CG-CB 4.43Å; Y197-V219 HydrophobicContact CG-CG1 3.94Å; W215-V219 PolarHBondContact O-N 3.26Å; A216-V219 PolarHBondContact O-N 3.09Å; L217-V219 VanDerWaalsContact C-N 3.34Å; V219-Y222 PolarHBondContact O-N 3.27Å; V219-E223 WeakPolarHBondContact O-CB 3.34Å; V219-E223 PolarHBondContact O-N 3.39Å; V219-P230 HydrophobicContact CB-CG 4.35Å; V219-P230 HydrophobicContact CG1-CG 4.05Å; V219-P230 HydrophobicContact CG2-CG 4.22Å; V219-L266 HydrophobicContact CG2-CD2 3.68Å
220L98.8Very high98.3Very high1 Ų110.6 Ų10.61%0.0055%0.053CC..Hα-helixtrans-61.8-47.2179.1-177.168.5000112.2M121 I143 L160 P162 L165 Y197 A216 L217 Y222 E223 M224M121-L220 HydrophobicContact SD-CD1 4.41Å; I143-L220 HydrophobicContact CG1-CD2 4.06Å; L160-L220 HydrophobicContact CD1-CD2 4.05Å; L160-L220 HydrophobicContact CD2-CB 4.11Å; L160-L220 HydrophobicContact CD2-CD2 3.82Å; L160-L220 HydrophobicContact CG-CD2 4.02Å; P162-L220 HydrophobicContact CG-CD1 3.82Å; L165-L220 HydrophobicContact CD1-CD1 4.03Å; L165-L220 HydrophobicContact CD1-CD2 3.62Å; L165-L220 HydrophobicContact CD1-CG 4.48Å; Y197-L220 HydrophobicContact CE1-CB 4Å; A216-L220 WeakPolarHBondContact O-CB 3.33Å; A216-L220 PolarHBondContact O-N 2.93Å; L217-L220 PolarHBondContact O-N 2.76Å; L220-Y222 VanDerWaalsContact C-N 3.32Å; L220-Y222 PolarHBondContact O-N 3.47Å; L220-E223 PolarHBondContact O-N 3.42Å; L220-M224 HydrophobicContact CD1-CG 4.41Å; L220-M224 HydrophobicContact CD2-CE 4.41Å; L220-M224 HydrophobicContact CG-CE 4.05Å; L220-M224 HydrophobicContact CG-CG 4.46Å; L220-M224 HydrophobicContact CG-SD 4.41Å; L220-M224 WeakPolarHBondContact O-CB 3.34Å; L220-M224 WeakPolarHBondContact O-CG 3.26Å; L220-M224 PolarHBondContact O-N 2.92Å
221I98.8Very high98.3Very high0 Ų08.3 Ų8.30%04%0.043CC..Hα-helixtrans-61-44.5178.4-69.8170000110.5A140 L217 M224 A225 L258 L261 L262 L265 W289A140-I221 HydrophobicContact CB-CD1 3.81Å; A140-I221 HydrophobicContact CB-CG1 3.67Å; L217-I221 HydrophobicContact CD1-CD1 3.86Å; L217-I221 HydrophobicContact CD1-CG1 4.02Å; L217-I221 HydrophobicContact CD2-CD1 4.42Å; L217-I221 HydrophobicContact CG-CD1 3.82Å; L217-I221 HydrophobicContact CG-CG1 4.36Å; L217-I221 WeakPolarHBondContact O-CB 3.3Å; L217-I221 VanDerWaalsContact O-CG1 3.27Å; L217-I221 WeakPolarHBondContact O-CG1 3.36Å; L217-I221 PolarHBondContact O-N 2.89Å; I221-M224 HydrophobicContact CG1-CE 4.26Å; I221-A225 WeakPolarHBondContact O-CB 3.46Å; I221-A225 PolarHBondContact O-N 3.43Å; I221-A225 VanDerWaalsContact O-N 3.11Å; I221-L258 HydrophobicContact CG2-CD1 3.55Å; I221-L261 HydrophobicContact CD1-CD2 4.19Å; I221-L262 HydrophobicContact CB-CD2 4.01Å; I221-L262 HydrophobicContact CG2-CD2 3.9Å; I221-L265 HydrophobicContact CD1-CD1 4.01Å; I221-W289 HydrophobicContact CD1-CZ3 4.33Å; I221-W289 HydrophobicContact CG2-CH2 3.91Å; I221-W289 HydrophobicContact CG2-CZ2 4.37Å; I221-W289 HydrophobicContact CG2-CZ3 4.34Å
222Y98.8Very high98.2Very high6 Ų613.7 Ų13.72%0.0247%0.067CC..Hα-helixtrans-58-51.4175.7-177.3-70.3000110.1G218 V219 L220 M224 A225 A226 Y228 P230 V248 K249 F250 F254 L262G218-Y222 WeakPolarHBondContact O-CB 3.37Å; G218-Y222 PolarHBondContact O-N 3.46Å; V219-Y222 PolarHBondContact O-N 3.27Å; L220-Y222 VanDerWaalsContact C-N 3.32Å; L220-Y222 PolarHBondContact O-N 3.47Å; Y222-M224 PolarHBondContact O-N 3.47Å; Y222-A225 PolarHBondContact O-N 2.95Å; Y222-A226 HydrophobicContact CD1-CB 3.86Å; Y222-A226 HydrophobicContact CE1-CB 3.59Å; Y222-A226 WeakPolarHBondContact O-CB 3.27Å; Y222-A226 PolarHBondContact O-N 2.78Å; Y222-Y228 VanDerWaalsContact CD1-O 3.25Å; Y222-Y228 WeakPolarHBondContact CD1-O 3.48Å; Y222-Y228 HydrophobicContact CE1-CD2 4.05Å; Y222-Y228 AromaticContact CE1-CE2 3.82Å; Y222-Y228 HydrophobicContact CE1-CE2 3.82Å; Y222-Y228 VanDerWaalsContact CE1-O 3.27Å; Y222-Y228 WeakPolarHBondContact CE1-O 3.39Å; Y222-Y228 WeakPolarHBondContact OH-CE2 3.44Å; Y222-P230 HydrophobicContact CD1-CB 3.84Å; Y222-P230 VanDerWaalsContact CD1-CD 3.48Å; Y222-P230 HydrophobicContact CD1-CG 4.17Å; Y222-P230 VanDerWaalsContact CD1-N 3.35Å; Y222-P230 HydrophobicContact CD2-CB 3.76Å; Y222-P230 HydrophobicContact CD2-CG 4.46Å; Y222-P230 VanDerWaalsContact CE1-CA 3.48Å; Y222-P230 HydrophobicContact CE1-CB 4.01Å; Y222-P230 HydrophobicContact CE2-CB 3.91Å; Y222-P230 HydrophobicContact CG-CB 3.74Å; Y222-P230 HydrophobicContact CG-CG 4.04Å; Y222-V248 HydrophobicContact CD2-CG1 4.11Å; Y222-V248 HydrophobicContact CE2-CG1 3.76Å; Y222-K249 WeakPolarHBondContact CE2-O 3.41Å; Y222-K249 PolarHBondContact OH-O 2.8Å; Y222-F250 HydrophobicContact CD2-CD1 4.3Å; Y222-F250 HydrophobicContact CD2-CE1 4.36Å; Y222-F250 HydrophobicContact CE2-CD1 4.06Å; Y222-F250 HydrophobicContact CE2-CE1 4.43Å; Y222-F254 AromaticContact CD2-CE2 3.99Å; Y222-F254 HydrophobicContact CD2-CE2 3.99Å; Y222-F254 HydrophobicContact CD2-CZ 4.47Å; Y222-F254 HydrophobicContact CE2-CE2 4.21Å; Y222-F254 HydrophobicContact CG-CE2 4.44Å; Y222-L262 HydrophobicContact CD2-CD1 4.06Å
223E98.6Very high98.2Very high7 Ų714.8 Ų14.83%0.0338%0.076CC..Hα-helixtrans-62.7-44.1-176.6178.2153.8-166.900112.5L125 R126 Y197 V219 L220 A225 A226 G227 Y228L125-E223 HydrophobicContact CD2-CG 3.83Å; R126-E223 IonicContact CZ-OE1 3.69Å; R126-E223 IonicContact NH2-OE1 2.67Å; R126-E223 PolarHBondContact NH2-OE1 2.86Å; Y197-E223 PolarHBondContact OH-OE2 2.65Å; V219-E223 WeakPolarHBondContact O-CB 3.34Å; V219-E223 PolarHBondContact O-N 3.39Å; L220-E223 PolarHBondContact O-N 3.42Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 2.75Å; E223-A226 PolarHBondContact O-N 3.25Å; E223-G227 VanDerWaalsContact O-CA 3.29Å; E223-G227 WeakPolarHBondContact O-CA 3.46Å; E223-G227 PolarHBondContact O-N 3.33Å; E223-Y228 WeakPolarHBondContact CA-O 3.13Å
224M97.6Very high98Very high0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-57.7-44.7174.3-72.6-171.5-63.100111.7M121 F131 S136 Y139 A140 L220 I221 Y222M121-M224 HydrophobicContact CE-SD 4.06Å; M121-M224 HydrophobicContact SD-CG 4.12Å; M121-M224 HydrophobicContact SD-SD 3.78Å; F131-M224 HydrophobicContact CD2-CB 3.9Å; F131-M224 HydrophobicContact CD2-CG 3.86Å; F131-M224 HydrophobicContact CD2-SD 4Å; F131-M224 HydrophobicContact CE2-CG 4.16Å; F131-M224 HydrophobicContact CE2-SD 4.23Å; F131-M224 PolarHBondContact N-O 2.92Å; S136-M224 WeakPolarHBondContact O-CE 3.46Å; S136-M224 WeakPolarHBondContact OG-CB 3.41Å; Y139-M224 HydrophobicContact CD2-SD 4.2Å; Y139-M224 HydrophobicContact CG-SD 4.47Å; A140-M224 HydrophobicContact CB-CE 4.32Å; L220-M224 HydrophobicContact CD1-CG 4.41Å; L220-M224 HydrophobicContact CD2-CE 4.41Å; L220-M224 HydrophobicContact CG-CE 4.05Å; L220-M224 HydrophobicContact CG-CG 4.46Å; L220-M224 HydrophobicContact CG-SD 4.41Å; L220-M224 WeakPolarHBondContact O-CB 3.34Å; L220-M224 WeakPolarHBondContact O-CG 3.26Å; L220-M224 PolarHBondContact O-N 2.92Å; I221-M224 HydrophobicContact CG1-CE 4.26Å; Y222-M224 PolarHBondContact O-N 3.47Å
225A97.6Very high97.9Very high1 Ų127.9 Ų27.91%0.00814%0.143CC..Hα-helixtrans-80.8-27.3-175.400000114.4R130 I221 Y222 E223 H253 F254 L258R130-A225 WeakPolarHBondContact CD-O 3.41Å; I221-A225 WeakPolarHBondContact O-CB 3.46Å; I221-A225 PolarHBondContact O-N 3.43Å; I221-A225 VanDerWaalsContact O-N 3.11Å; Y222-A225 PolarHBondContact O-N 2.95Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 2.75Å; A225-H253 PolarHBondContact O-NE2 2.77Å; A225-F254 HydrophobicContact CB-CE1 3.65Å; A225-F254 HydrophobicContact CB-CZ 3.66Å; A225-L258 HydrophobicContact CB-CD2 3.81Å
226A98Very high97.7Very high9 Ų931 Ų317%0.07416%0.164CC..Hα-helixtrans-94.2-34.4-179.400000113Y222 E223 Y228 P251 F254Y222-A226 HydrophobicContact CD1-CB 3.86Å; Y222-A226 HydrophobicContact CE1-CB 3.59Å; Y222-A226 WeakPolarHBondContact O-CB 3.27Å; Y222-A226 PolarHBondContact O-N 2.78Å; E223-A226 PolarHBondContact O-N 3.25Å; A226-Y228 HydrophobicContact CB-CD1 4.13Å; A226-Y228 HydrophobicContact CB-CD2 4.48Å; A226-Y228 HydrophobicContact CB-CE1 3.94Å; A226-Y228 HydrophobicContact CB-CE2 4.29Å; A226-Y228 HydrophobicContact CB-CG 4.4Å; A226-P251 HydrophobicContact CB-CG 3.99Å; A226-F254 HydrophobicContact CB-CE1 4.14Å; A226-F254 HydrophobicContact CB-CZ 3.85Å
227G96.7Very high97.6Very high10 Ų1035.3 Ų35.310%0.10318%0.184CC..SBendtrans92.2-0.9-169.600000114.8R126 G129 E223R126-G227 PolarHBondContact NH1-O 3.47Å; G129-G227 WeakPolarHBondContact O-CA 3.41Å; E223-G227 VanDerWaalsContact O-CA 3.29Å; E223-G227 WeakPolarHBondContact O-CA 3.46Å; E223-G227 PolarHBondContact O-N 3.33Å
228Y97.4Very high97.6Very high92 Ų9238.8 Ų38.836%0.36120%0.201SC..SBendtrans-152.2152-179.257.4-93.4000109.4Y222 E223 A226 F232Y222-Y228 VanDerWaalsContact CD1-O 3.25Å; Y222-Y228 WeakPolarHBondContact CD1-O 3.48Å; Y222-Y228 HydrophobicContact CE1-CD2 4.05Å; Y222-Y228 AromaticContact CE1-CE2 3.82Å; Y222-Y228 HydrophobicContact CE1-CE2 3.82Å; Y222-Y228 VanDerWaalsContact CE1-O 3.27Å; Y222-Y228 WeakPolarHBondContact CE1-O 3.39Å; Y222-Y228 WeakPolarHBondContact OH-CE2 3.44Å; E223-Y228 WeakPolarHBondContact CA-O 3.13Å; A226-Y228 HydrophobicContact CB-CD1 4.13Å; A226-Y228 HydrophobicContact CB-CD2 4.48Å; A226-Y228 HydrophobicContact CB-CE1 3.94Å; A226-Y228 HydrophobicContact CB-CE2 4.29Å; A226-Y228 HydrophobicContact CB-CG 4.4Å; Y228-F232 HydrophobicContact CD2-CD1 4.3Å; Y228-F232 AromaticContact CD2-CE1 3.72Å; Y228-F232 HydrophobicContact CD2-CE1 3.72Å; Y228-F232 HydrophobicContact CE2-CE1 4.18Å
229P98Very high97.5Very high12 Ų1239 Ų398%0.07820%0.202CC..  trans-68.3156.1-178.428.2-36.1000112.2E196 F231 F232E196-P229 HydrophobicContact CB-CB 4.23Å; E196-P229 HydrophobicContact CG-CB 4.38Å; E196-P229 HydrophobicContact CG-CG 4.11Å; P229-F231 PolarHBondContact O-N 3.44Å; P229-F232 HydrophobicContact CG-CB 4.01Å; P229-F232 HydrophobicContact CG-CD1 4.48Å; P229-F232 VanDerWaalsContact O-CD1 3.32Å; P229-F232 WeakPolarHBondContact O-CD1 3.31Å
230P98.3Very high97.4Very high15 Ų1541.9 Ų41.910%0.09721%0.213CC..SBendtrans-64.5-24.7178.424.5-32.2000113.5V219 Y222 V248 L266V219-P230 HydrophobicContact CB-CG 4.35Å; V219-P230 HydrophobicContact CG1-CG 4.05Å; V219-P230 HydrophobicContact CG2-CG 4.22Å; Y222-P230 HydrophobicContact CD1-CB 3.84Å; Y222-P230 VanDerWaalsContact CD1-CD 3.48Å; Y222-P230 HydrophobicContact CD1-CG 4.17Å; Y222-P230 VanDerWaalsContact CD1-N 3.35Å; Y222-P230 HydrophobicContact CD2-CB 3.76Å; Y222-P230 HydrophobicContact CD2-CG 4.46Å; Y222-P230 VanDerWaalsContact CE1-CA 3.48Å; Y222-P230 HydrophobicContact CE1-CB 4.01Å; Y222-P230 HydrophobicContact CE2-CB 3.91Å; Y222-P230 HydrophobicContact CG-CB 3.74Å; Y222-P230 HydrophobicContact CG-CG 4.04Å; P230-V248 HydrophobicContact CB-CG1 4.25Å; P230-L266 HydrophobicContact CB-CD1 4.25Å; P230-L266 HydrophobicContact CG-CD1 4.16Å
231F98.2Very high97.4Very high3 Ų347.8 Ų47.81%0.01324%0.241CC..SBendtrans-131.1113.2179.5-45.3-73.5000108.8W215 P229 I239 K242 I243 V248W215-F231 HydrophobicContact CH2-CE2 4.17Å; W215-F231 HydrophobicContact CH2-CZ 4.27Å; W215-F231 HydrophobicContact CZ2-CD2 4.46Å; W215-F231 AromaticContact CZ2-CE2 3.6Å; W215-F231 HydrophobicContact CZ2-CE2 3.6Å; W215-F231 HydrophobicContact CZ2-CZ 4.15Å; P229-F231 PolarHBondContact O-N 3.44Å; F231-I239 HydrophobicContact CB-CG2 4.37Å; F231-K242 HydrophobicContact CB-CB 4.26Å; F231-K242 HydrophobicContact CD1-CB 4.01Å; F231-I243 HydrophobicContact CB-CG1 3.78Å; F231-I243 HydrophobicContact CD1-CG1 4.4Å; F231-I243 HydrophobicContact CD2-CG1 3.54Å; F231-I243 HydrophobicContact CE2-CG1 4.19Å; F231-I243 HydrophobicContact CG-CG1 3.65Å; F231-V248 HydrophobicContact CE1-CG2 3.94Å; F231-V248 HydrophobicContact CE2-CG2 4.46Å; F231-V248 HydrophobicContact CZ-CG2 3.54Å
232F96.1Very high97.3Very high114 Ų11452.4 Ų52.450%0.526%0.261SS..  trans-141.8153.7174.858.7-82.1000110.6Y228 P229 K242Y228-F232 HydrophobicContact CD2-CD1 4.3Å; Y228-F232 AromaticContact CD2-CE1 3.72Å; Y228-F232 HydrophobicContact CD2-CE1 3.72Å; Y228-F232 HydrophobicContact CE2-CE1 4.18Å; P229-F232 HydrophobicContact CG-CB 4.01Å; P229-F232 HydrophobicContact CG-CD1 4.48Å; P229-F232 VanDerWaalsContact O-CD1 3.32Å; P229-F232 WeakPolarHBondContact O-CD1 3.31Å; F232-K242 WeakPolarHBondContact O-CD 3.25Å; F232-K242 VanDerWaalsContact O-CE 3.23Å; F232-K242 WeakPolarHBondContact O-CE 3.48Å
233A97Very high97.3Very high28 Ų2852.1 Ų52.123%0.23126%0.26CS..  trans-167.1171.1174.600000108.9Q238 I239A233-Q238 HydrophobicContact CB-CB 3.41Å; A233-Q238 VanDerWaalsContact CB-CB 3.41Å; A233-Q238 HydrophobicContact CB-CG 4.46Å; A233-I239 HydrophobicContact CB-CG1 3.88Å
234D95.6Very high97.2Very high164 Ų16454.3 Ų54.388%0.87727%0.274SS*.SBendtrans-72.5-31-178.6-58.8-32.7000112.5
235Q96.2Very high97.1Very high117 Ų11757.5 Ų57.555%0.54730%0.296SS..SBendtrans-115.7139179.5-62.5-172.9600111.8I237 Q238 I239Q235-I237 HydrophobicContact CB-CG2 4.09Å; Q235-I237 PolarHBondContact O-N 3.41Å; Q235-I237 VanDerWaalsContact O-N 3.09Å; Q235-Q238 HydrophobicContact CB-CG 4.41Å; Q235-Q238 WeakPolarHBondContact O-CB 3.31Å; Q235-Q238 PolarHBondContact O-N 3.07Å; Q235-I239 PolarHBondContact O-N 2.86Å
236P95.2Very high97Very high67 Ų6758.6 Ų58.644%0.43531%0.307SS..Hα-helixtrans-52.2-36.4178.9-30.135.7000114.3P195 Q238 I239 Y240P195-P236 HydrophobicContact CB-CB 4.42Å; P195-P236 HydrophobicContact CG-CB 4.38Å; P236-Q238 VanDerWaalsContact C-N 3.29Å; P236-Q238 PolarHBondContact O-N 3.1Å; P236-I239 WeakPolarHBondContact O-CB 3.12Å; P236-I239 PolarHBondContact O-N 2.59Å; P236-I239 VanDerWaalsContact O-N 3.12Å; P236-Y240 HydrophobicContact CB-CE2 4.18Å; P236-Y240 WeakPolarHBondContact O-CD1 3.48Å; P236-Y240 WeakPolarHBondContact O-CD2 3.3Å; P236-Y240 PolarHBondContact O-N 3Å
237I96.4Very high96.8Very high95 Ų9566.3 Ų66.349%0.48734%0.339SS..Hα-helixtrans-60.4-38.3179.1-169.260.5000112.6Q235 Y240 E241Q235-I237 HydrophobicContact CB-CG2 4.09Å; Q235-I237 PolarHBondContact O-N 3.41Å; Q235-I237 VanDerWaalsContact O-N 3.09Å; I237-Y240 HydrophobicContact CD1-CD2 4.34Å; I237-Y240 WeakPolarHBondContact O-CB 3.45Å; I237-Y240 PolarHBondContact O-N 3.43Å; I237-E241 WeakPolarHBondContact O-CG 3.49Å; I237-E241 PolarHBondContact O-N 3.41Å
238Q97.6Very high96.9Very high74 Ų7467.3 Ų67.335%0.34634%0.343SS..Hα-helixtrans-72.2-32.4178.1-63.3172.4-4000111.4A233 Q235 P236 Y240 K242A233-Q238 HydrophobicContact CB-CB 3.41Å; A233-Q238 VanDerWaalsContact CB-CB 3.41Å; A233-Q238 HydrophobicContact CB-CG 4.46Å; Q235-Q238 HydrophobicContact CB-CG 4.41Å; Q235-Q238 WeakPolarHBondContact O-CB 3.31Å; Q235-Q238 PolarHBondContact O-N 3.07Å; P236-Q238 VanDerWaalsContact C-N 3.29Å; P236-Q238 PolarHBondContact O-N 3.1Å; Q238-Y240 VanDerWaalsContact C-N 3.34Å; Q238-K242 VanDerWaalsContact O-CG 3.32Å; Q238-K242 WeakPolarHBondContact O-CG 3.39Å; Q238-K242 PolarHBondContact O-N 3.43Å
239I97.7Very high96.9Very high5 Ų571.5 Ų71.53%0.02636%0.363CS..Hα-helixtrans-62.9-46171.9-56.5178.2000109P195 E196 F231 A233 Q235 P236 E241 K242 I243P195-I239 HydrophobicContact CB-CD1 4.22Å; E196-I239 HydrophobicContact CG-CD1 4.2Å; F231-I239 HydrophobicContact CB-CG2 4.37Å; A233-I239 HydrophobicContact CB-CG1 3.88Å; Q235-I239 PolarHBondContact O-N 2.86Å; P236-I239 WeakPolarHBondContact O-CB 3.12Å; P236-I239 PolarHBondContact O-N 2.59Å; P236-I239 VanDerWaalsContact O-N 3.12Å; I239-E241 PolarHBondContact O-N 3.43Å; I239-K242 WeakPolarHBondContact O-CB 3.39Å; I239-K242 PolarHBondContact O-N 2.89Å; I239-I243 HydrophobicContact CG2-CD1 3.78Å; I239-I243 HydrophobicContact CG2-CG1 4.42Å; I239-I243 WeakPolarHBondContact O-CG1 3.39Å; I239-I243 PolarHBondContact O-N 3.04Å
240Y97.5Very high96.9Very high59 Ų5973.6 Ų73.623%0.23137%0.371CS..Hα-helixtrans-60.9-44.2179.3-59.3-20.6000112.8P195 L198 I203 P236 I237 Q238 K242 I243 V244P195-Y240 HydrophobicContact CB-CE1 3.85Å; L198-Y240 HydrophobicContact CD1-CE1 3.77Å; I203-Y240 HydrophobicContact CD1-CD1 3.8Å; I203-Y240 HydrophobicContact CD1-CG 4.26Å; I203-Y240 HydrophobicContact CG1-CD1 3.95Å; I203-Y240 HydrophobicContact CG1-CG 4.26Å; I203-Y240 HydrophobicContact CG2-CG 4.18Å; P236-Y240 HydrophobicContact CB-CE2 4.18Å; P236-Y240 WeakPolarHBondContact O-CD1 3.48Å; P236-Y240 WeakPolarHBondContact O-CD2 3.3Å; P236-Y240 PolarHBondContact O-N 3Å; I237-Y240 HydrophobicContact CD1-CD2 4.34Å; I237-Y240 WeakPolarHBondContact O-CB 3.45Å; I237-Y240 PolarHBondContact O-N 3.43Å; Q238-Y240 VanDerWaalsContact C-N 3.34Å; Y240-K242 VanDerWaalsContact C-N 3.32Å; Y240-K242 PolarHBondContact O-N 2.76Å; Y240-I243 PolarHBondContact O-N 3.27Å; Y240-V244 WeakPolarHBondContact O-CG2 3.26Å; Y240-V244 PolarHBondContact O-N 3.32Å
241E97.5Very high96.8Very high125 Ų12573.4 Ų73.458%0.58437%0.37SS*.Hα-helixtrans-58.1-43.7175-71.9172.9170.200112I237 I239 S245I237-E241 WeakPolarHBondContact O-CG 3.49Å; I237-E241 PolarHBondContact O-N 3.41Å; I239-E241 PolarHBondContact O-N 3.43Å; E241-S245 PolarHBondContact O-N 2.81Å
242K97.9Very high96.8Very high98 Ų9878.9 Ų78.943%0.42641%0.409SS..Hα-helixtrans-64.4-45.7177.4-70.7169.2-173.1-76.40111.6F231 F232 Q238 I239 Y240 S245 G246F231-K242 HydrophobicContact CB-CB 4.26Å; F231-K242 HydrophobicContact CD1-CB 4.01Å; F232-K242 WeakPolarHBondContact O-CD 3.25Å; F232-K242 VanDerWaalsContact O-CE 3.23Å; F232-K242 WeakPolarHBondContact O-CE 3.48Å; Q238-K242 VanDerWaalsContact O-CG 3.32Å; Q238-K242 WeakPolarHBondContact O-CG 3.39Å; Q238-K242 PolarHBondContact O-N 3.43Å; I239-K242 WeakPolarHBondContact O-CB 3.39Å; I239-K242 PolarHBondContact O-N 2.89Å; Y240-K242 VanDerWaalsContact C-N 3.32Å; Y240-K242 PolarHBondContact O-N 2.76Å; K242-S245 WeakPolarHBondContact O-CB 3.34Å; K242-S245 PolarHBondContact O-N 3.45Å; K242-S245 PolarHBondContact O-OG 3.27Å; K242-G246 PolarHBondContact O-N 2.82Å
243I97.9Very high96.9Very high0 Ų077.2 Ų77.20%040%0.402CS..Hα-helixtrans-58.8-50.3178-72.6166.5000110.6P195 P200 I203 W215 F231 I239 Y240 S245 G246P195-I243 VanDerWaalsContact O-CD1 3.28Å; P195-I243 WeakPolarHBondContact O-CD1 3.35Å; P200-I243 HydrophobicContact CB-CG2 4.14Å; I203-I243 HydrophobicContact CD1-CB 3.76Å; I203-I243 HydrophobicContact CD1-CD1 3.79Å; I203-I243 HydrophobicContact CD1-CG1 4.38Å; I203-I243 HydrophobicContact CD1-CG2 3.45Å; I203-I243 VanDerWaalsContact CD1-CG2 3.45Å; W215-I243 HydrophobicContact CH2-CG2 4.36Å; W215-I243 HydrophobicContact CZ2-CG2 3.75Å; F231-I243 HydrophobicContact CB-CG1 3.78Å; F231-I243 HydrophobicContact CD1-CG1 4.4Å; F231-I243 HydrophobicContact CD2-CG1 3.54Å; F231-I243 HydrophobicContact CE2-CG1 4.19Å; F231-I243 HydrophobicContact CG-CG1 3.65Å; I239-I243 HydrophobicContact CG2-CD1 3.78Å; I239-I243 HydrophobicContact CG2-CG1 4.42Å; I239-I243 WeakPolarHBondContact O-CG1 3.39Å; I239-I243 PolarHBondContact O-N 3.04Å; Y240-I243 PolarHBondContact O-N 3.27Å; I243-S245 PolarHBondContact O-N 2.93Å; I243-G246 PolarHBondContact O-N 3.28Å
244V97Very high97Very high53 Ų5376.2 Ų76.232%0.32139%0.393SS..Hα-helixtrans-63.6-32-179172.60000111.6I203 L204 Y240 G246I203-V244 HydrophobicContact CB-CG2 4.3Å; I203-V244 HydrophobicContact CG2-CG2 3.76Å; L204-V244 HydrophobicContact CD1-CG1 4.44Å; L204-V244 HydrophobicContact CD2-CG1 4.11Å; L204-V244 HydrophobicContact CD2-CG2 4.08Å; L204-V244 HydrophobicContact CG-CG2 4.13Å; Y240-V244 WeakPolarHBondContact O-CG2 3.26Å; Y240-V244 PolarHBondContact O-N 3.32Å; V244-G246 PolarHBondContact O-N 3.23Å
245S96.1Very high97.1Very high66 Ų6669.9 Ų69.946%0.46236%0.361SS..Hα-helixtrans-65.6-24174.884.60000113.9E241 K242 I243 K247E241-S245 PolarHBondContact O-N 2.81Å; K242-S245 WeakPolarHBondContact O-CB 3.34Å; K242-S245 PolarHBondContact O-N 3.45Å; K242-S245 PolarHBondContact O-OG 3.27Å; I243-S245 PolarHBondContact O-N 2.93Å; S245-K247 PolarHBondContact O-N 3.03Å; S245-K247 VanDerWaalsContact O-N 3.15Å; S245-K247 PolarHBondContact OG-N 2.87Å
246G94.2Very high97.2Very high24 Ų2470.1 Ų70.125%0.24737%0.366CS..THydrogen-bonded Turntrans65.88.7-178.600000115.4K242 I243 V244 V248K242-G246 PolarHBondContact O-N 2.82Å; I243-G246 PolarHBondContact O-N 3.28Å; V244-G246 PolarHBondContact O-N 3.23Å; G246-V248 PolarHBondContact O-N 3.43Å
247K95.2Very high97.4Very high172 Ų17271 Ų7175%0.74836%0.364SS*.  trans-85.193.4-175.3-68-179.9-178.2175.80111.5S245S245-K247 PolarHBondContact O-N 3.03Å; S245-K247 VanDerWaalsContact O-N 3.15Å; S245-K247 PolarHBondContact OG-N 2.87Å
248V97.2Very high97.5Very high31 Ų3166.4 Ų66.419%0.18834%0.341CS..PPolyproline II helixtrans-89.6129.1176.5-175.30000111Y222 P230 F231 G246 F250 L266Y222-V248 HydrophobicContact CD2-CG1 4.11Å; Y222-V248 HydrophobicContact CE2-CG1 3.76Å; P230-V248 HydrophobicContact CB-CG1 4.25Å; F231-V248 HydrophobicContact CE1-CG2 3.94Å; F231-V248 HydrophobicContact CE2-CG2 4.46Å; F231-V248 HydrophobicContact CZ-CG2 3.54Å; G246-V248 PolarHBondContact O-N 3.43Å; V248-F250 HydrophobicContact CB-CE2 4.48Å; V248-F250 HydrophobicContact CB-CZ 4.13Å; V248-F250 HydrophobicContact CG1-CD1 4.11Å; V248-F250 HydrophobicContact CG1-CE1 3.61Å; V248-F250 HydrophobicContact CG1-CE2 4.27Å; V248-F250 HydrophobicContact CG1-CZ 3.71Å; V248-L266 HydrophobicContact CG1-CD1 4.3Å; V248-L266 HydrophobicContact CG2-CB 4.27Å; V248-L266 HydrophobicContact CG2-CD1 3.92Å
249K97.1Very high97.5Very high180 Ų18065.1 Ų65.178%0.78333%0.334SS*.PPolyproline II helixtrans-99.8129.9168.6-68.4-176.6179.3-179.90109.4Y222Y222-K249 WeakPolarHBondContact CE2-O 3.41Å; Y222-K249 PolarHBondContact OH-O 2.8Å
250F98.2Very high97.6Very high55 Ų5568.4 Ų68.424%0.24135%0.352CS..PPolyproline II helixtrans-100.4136.8179.9-60.9-72.6000111.4Y222 V248 F254 K259 L262 K263Y222-F250 HydrophobicContact CD2-CD1 4.3Å; Y222-F250 HydrophobicContact CD2-CE1 4.36Å; Y222-F250 HydrophobicContact CE2-CD1 4.06Å; Y222-F250 HydrophobicContact CE2-CE1 4.43Å; V248-F250 HydrophobicContact CB-CE2 4.48Å; V248-F250 HydrophobicContact CB-CZ 4.13Å; V248-F250 HydrophobicContact CG1-CD1 4.11Å; V248-F250 HydrophobicContact CG1-CE1 3.61Å; V248-F250 HydrophobicContact CG1-CE2 4.27Å; V248-F250 HydrophobicContact CG1-CZ 3.71Å; F250-F254 HydrophobicContact CB-CD2 4.26Å; F250-F254 AromaticContact CD1-CD2 3.87Å; F250-F254 HydrophobicContact CD1-CD2 3.87Å; F250-F254 HydrophobicContact CD1-CE2 4.13Å; F250-K259 HydrophobicContact CB-CD 4.23Å; F250-K259 HydrophobicContact CB-CG 3.96Å; F250-K259 HydrophobicContact CD1-CG 4.16Å; F250-K259 HydrophobicContact CD2-CB 4.49Å; F250-K259 HydrophobicContact CD2-CG 4.15Å; F250-K259 HydrophobicContact CG-CD 4.47Å; F250-K259 HydrophobicContact CG-CG 3.82Å; F250-L262 HydrophobicContact CD1-CD1 4.19Å; F250-L262 HydrophobicContact CE1-CB 3.67Å; F250-L262 HydrophobicContact CE1-CD1 3.82Å; F250-L262 HydrophobicContact CE1-CG 4.42Å; F250-L262 HydrophobicContact CZ-CB 4.15Å; F250-K263 HydrophobicContact CE2-CG 4.06Å; F250-K263 HydrophobicContact CZ-CG 4Å
251P98Very high97.6Very high12 Ų1265.6 Ų65.68%0.07834%0.341CS..PPolyproline II helixtrans-55.7149.7169-24.533.9000112.4A226 H253 F254A226-P251 HydrophobicContact CB-CG 3.99Å; P251-H253 WeakPolarHBondContact CB-CE1 3.42Å; P251-H253 WeakPolarHBondContact CB-ND1 3.41Å; P251-H253 PolarHBondContact O-N 3.02Å; P251-F254 HydrophobicContact CB-CD1 3.9Å; P251-F254 HydrophobicContact CB-CE1 4.07Å; P251-F254 HydrophobicContact CB-CG 4.46Å; P251-F254 HydrophobicContact CG-CD1 3.93Å; P251-F254 HydrophobicContact CG-CE1 3.62Å; P251-F254 HydrophobicContact CG-CE2 4.42Å; P251-F254 HydrophobicContact CG-CG 4.46Å; P251-F254 HydrophobicContact CG-CZ 3.91Å; P251-F254 PolarHBondContact O-N 3.4Å
252S97.6Very high97.7Very high118 Ų11859.6 Ų59.683%0.82531%0.313SS*.THydrogen-bonded Turntrans-61.5-33.9-179.453.20000112.2F254S252-F254 VanDerWaalsContact C-N 3.27Å; S252-F254 PolarHBondContact O-N 2.95Å
253H97.6Very high97.7Very high79 Ų7960.6 Ų60.637%0.36632%0.317SS..THydrogen-bonded Turntrans-75.7-5.1-179.165-95.8000115.2R130 A225 P251R130-H253 PolarHBondContact NH1-CD2 3.49Å; R130-H253 PolarHBondContact NH1-NE2 2.93Å; R130-H253 VanDerWaalsContact NH1-NE2 3.12Å; A225-H253 PolarHBondContact O-NE2 2.77Å; P251-H253 WeakPolarHBondContact CB-CE1 3.42Å; P251-H253 WeakPolarHBondContact CB-ND1 3.41Å; P251-H253 PolarHBondContact O-N 3.02Å
254F98.5Very high97.8Very high6 Ų662.2 Ų62.23%0.02633%0.326CS..SBendtrans-72134.4175.2-82.121.6000110.7Y222 A225 A226 F250 P251 S252 L258 K259 L262Y222-F254 AromaticContact CD2-CE2 3.99Å; Y222-F254 HydrophobicContact CD2-CE2 3.99Å; Y222-F254 HydrophobicContact CD2-CZ 4.47Å; Y222-F254 HydrophobicContact CE2-CE2 4.21Å; Y222-F254 HydrophobicContact CG-CE2 4.44Å; A225-F254 HydrophobicContact CB-CE1 3.65Å; A225-F254 HydrophobicContact CB-CZ 3.66Å; A226-F254 HydrophobicContact CB-CE1 4.14Å; A226-F254 HydrophobicContact CB-CZ 3.85Å; F250-F254 HydrophobicContact CB-CD2 4.26Å; F250-F254 AromaticContact CD1-CD2 3.87Å; F250-F254 HydrophobicContact CD1-CD2 3.87Å; F250-F254 HydrophobicContact CD1-CE2 4.13Å; P251-F254 HydrophobicContact CB-CD1 3.9Å; P251-F254 HydrophobicContact CB-CE1 4.07Å; P251-F254 HydrophobicContact CB-CG 4.46Å; P251-F254 HydrophobicContact CG-CD1 3.93Å; P251-F254 HydrophobicContact CG-CE1 3.62Å; P251-F254 HydrophobicContact CG-CE2 4.42Å; P251-F254 HydrophobicContact CG-CG 4.46Å; P251-F254 HydrophobicContact CG-CZ 3.91Å; P251-F254 PolarHBondContact O-N 3.4Å; S252-F254 VanDerWaalsContact C-N 3.27Å; S252-F254 PolarHBondContact O-N 2.95Å; F254-L258 HydrophobicContact CB-CD2 4.21Å; F254-L258 HydrophobicContact CD1-CD2 3.94Å; F254-L258 HydrophobicContact CD2-CD2 3.59Å; F254-L258 HydrophobicContact CD2-CG 3.87Å; F254-L258 HydrophobicContact CE1-CD2 4.16Å; F254-L258 HydrophobicContact CE2-CD2 3.83Å; F254-L258 HydrophobicContact CE2-CG 4.24Å; F254-L258 HydrophobicContact CG-CD2 3.65Å; F254-L258 HydrophobicContact CG-CG 4.27Å; F254-L258 HydrophobicContact CZ-CD2 4.1Å; F254-K259 HydrophobicContact CB-CD 4.37Å; F254-K259 HydrophobicContact CB-CG 3.96Å; F254-K259 WeakPolarHBondContact O-CE 3.29Å; F254-K259 PolarHBondContact O-NZ 2.97Å; F254-L262 HydrophobicContact CD2-CD1 4.04Å; F254-L262 HydrophobicContact CE2-CD1 3.62Å
255S98.5Very high97.8Very high32 Ų3259.7 Ų59.722%0.22431%0.311CS..  trans-60.5158.2170.568.80000111.8E133 E257 L258 K259E133-S255 VanDerWaalsContact CD-OG 3.32Å; E133-S255 WeakPolarHBondContact OE1-CB 3.43Å; E133-S255 PolarHBondContact OE1-N 3.47Å; E133-S255 PolarHBondContact OE1-OG 2.94Å; E133-S255 WeakPolarHBondContact OE2-CB 3.44Å; E133-S255 PolarHBondContact OE2-OG 3.13Å; S255-E257 VanDerWaalsContact C-N 3.26Å; S255-E257 PolarHBondContact O-N 2.77Å; S255-L258 PolarHBondContact O-N 2.86Å; S255-L258 VanDerWaalsContact OG-CB 3.23Å; S255-L258 WeakPolarHBondContact OG-CB 3.49Å; S255-L258 PolarHBondContact OG-N 3.21Å; S255-K259 WeakPolarHBondContact O-CG 3.36Å; S255-K259 PolarHBondContact O-N 2.84Å; S255-K259 VanDerWaalsContact O-N 3.07Å
256N98.5Very high98Very high121 Ų12157 Ų5765%0.64729%0.291SS*.Hα-helixtrans-66.2-36.3176.6-72.3-31.1000110.8K259 D260N256-K259 PolarHBondContact O-N 2.85Å; N256-D260 WeakPolarHBondContact O-CB 3.39Å; N256-D260 PolarHBondContact O-N 2.76Å
257E98.6Very high98.1Very high85 Ų8558.4 Ų58.440%0.39729%0.291SS..Hα-helixtrans-62.9-43.4175.6-63.872.3-161.400111S255 D260 L261 H287 K288 W289S255-E257 VanDerWaalsContact C-N 3.26Å; S255-E257 PolarHBondContact O-N 2.77Å; E257-D260 PolarHBondContact O-N 3.31Å; E257-L261 PolarHBondContact O-N 3.01Å; E257-H287 PolarHBondContact O-CE1 3.05Å; E257-K288 HydrophobicContact CG-CB 4.01Å; E257-W289 HydrophobicContact CB-CB 3.99Å; E257-W289 HydrophobicContact CB-CG 4.46Å
258L98.8Very high98.3Very high0 Ų052.9 Ų52.90%027%0.272CS..Hα-helixtrans-64.3-46.1176.4178.154.4000111.3E133 I221 A225 F254 S255 D260 L261 L262 W289E133-L258 HydrophobicContact CG-CD2 3.86Å; I221-L258 HydrophobicContact CG2-CD1 3.55Å; A225-L258 HydrophobicContact CB-CD2 3.81Å; F254-L258 HydrophobicContact CB-CD2 4.21Å; F254-L258 HydrophobicContact CD1-CD2 3.94Å; F254-L258 HydrophobicContact CD2-CD2 3.59Å; F254-L258 HydrophobicContact CD2-CG 3.87Å; F254-L258 HydrophobicContact CE1-CD2 4.16Å; F254-L258 HydrophobicContact CE2-CD2 3.83Å; F254-L258 HydrophobicContact CE2-CG 4.24Å; F254-L258 HydrophobicContact CG-CD2 3.65Å; F254-L258 HydrophobicContact CG-CG 4.27Å; F254-L258 HydrophobicContact CZ-CD2 4.1Å; S255-L258 PolarHBondContact O-N 2.86Å; S255-L258 VanDerWaalsContact OG-CB 3.23Å; S255-L258 WeakPolarHBondContact OG-CB 3.49Å; S255-L258 PolarHBondContact OG-N 3.21Å; L258-D260 VanDerWaalsContact C-N 3.28Å; L258-D260 PolarHBondContact O-N 2.9Å; L258-L261 PolarHBondContact O-N 2.98Å; L258-L262 HydrophobicContact CD1-CD1 3.69Å; L258-L262 HydrophobicContact CD1-CG 3.84Å; L258-L262 HydrophobicContact CG-CD1 3.83Å; L258-L262 HydrophobicContact CG-CG 4.39Å; L258-L262 WeakPolarHBondContact O-CB 3.21Å; L258-L262 VanDerWaalsContact O-CG 3.3Å; L258-L262 WeakPolarHBondContact O-CG 3.36Å; L258-L262 PolarHBondContact O-N 3.31Å; L258-W289 HydrophobicContact CD1-CD2 4.3Å; L258-W289 HydrophobicContact CD1-CZ2 3.92Å
259K98.8Very high98.2Very high46 Ų4654.1 Ų54.120%0.228%0.277CS..Hα-helixtrans-58.6-42177.1-69.9170.4-173.6159.40111.3F250 F254 S255 N256 K263F250-K259 HydrophobicContact CB-CD 4.23Å; F250-K259 HydrophobicContact CB-CG 3.96Å; F250-K259 HydrophobicContact CD1-CG 4.16Å; F250-K259 HydrophobicContact CD2-CB 4.49Å; F250-K259 HydrophobicContact CD2-CG 4.15Å; F250-K259 HydrophobicContact CG-CD 4.47Å; F250-K259 HydrophobicContact CG-CG 3.82Å; F254-K259 HydrophobicContact CB-CD 4.37Å; F254-K259 HydrophobicContact CB-CG 3.96Å; F254-K259 WeakPolarHBondContact O-CE 3.29Å; F254-K259 PolarHBondContact O-NZ 2.97Å; S255-K259 WeakPolarHBondContact O-CG 3.36Å; S255-K259 PolarHBondContact O-N 2.84Å; S255-K259 VanDerWaalsContact O-N 3.07Å; N256-K259 PolarHBondContact O-N 2.85Å; K259-K263 WeakPolarHBondContact O-CB 3.48Å; K259-K263 VanDerWaalsContact O-CG 3.22Å; K259-K263 WeakPolarHBondContact O-CG 3.37Å; K259-K263 PolarHBondContact O-N 2.7Å
260D98.7Very high98.1Very high74 Ų7448 Ų4840%0.39625%0.253SS..Hα-helixtrans-66.1-45.9178.7-165.451.5000112N256 E257 L258 L262 K263 N264 H287N256-D260 WeakPolarHBondContact O-CB 3.39Å; N256-D260 PolarHBondContact O-N 2.76Å; E257-D260 PolarHBondContact O-N 3.31Å; L258-D260 VanDerWaalsContact C-N 3.28Å; L258-D260 PolarHBondContact O-N 2.9Å; D260-L262 PolarHBondContact O-N 2.97Å; D260-K263 PolarHBondContact O-N 3.44Å; D260-N264 PolarHBondContact O-N 3.3Å; D260-N264 PolarHBondContact O-ND2 2.85Å; D260-H287 IonicContact OD2-NE2 3.18Å; D260-H287 PolarHBondContact OD2-NE2 2.94Å
261L98.8Very high98Very high0 Ų050.5 Ų50.50%027%0.273CS..Hα-helixtrans-57.2-50174.9178.759.9000111.3I221 E257 L258 K263 N264 L265 Y274 H287 W289 F290I221-L261 HydrophobicContact CD1-CD2 4.19Å; E257-L261 PolarHBondContact O-N 3.01Å; L258-L261 PolarHBondContact O-N 2.98Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 3.23Å; L261-N264 PolarHBondContact O-N 3.21Å; L261-L265 HydrophobicContact CD1-CD1 3.92Å; L261-L265 HydrophobicContact CD1-CG 4.17Å; L261-L265 HydrophobicContact CD2-CD1 4.41Å; L261-L265 HydrophobicContact CG-CD1 3.88Å; L261-L265 HydrophobicContact CG-CG 4.47Å; L261-L265 PolarHBondContact O-N 3.41Å; L261-Y274 HydrophobicContact CD1-CD2 4.39Å; L261-H287 HydrophobicContact CD1-CB 4.15Å; L261-H287 PolarHBondContact N-CE1 3.25Å; L261-W289 HydrophobicContact CB-CB 4.31Å; L261-W289 HydrophobicContact CD2-CB 4.1Å; L261-W289 HydrophobicContact CD2-CD2 3.91Å; L261-W289 HydrophobicContact CD2-CE3 3.39Å; L261-W289 HydrophobicContact CD2-CG 4.23Å; L261-W289 HydrophobicContact CD2-CZ3 4.03Å; L261-F290 HydrophobicContact CD2-CD2 4.21Å; L261-F290 HydrophobicContact CD2-CE2 3.72Å; L261-F290 HydrophobicContact CD2-CZ 4.49Å
262L98.8Very high98Very high0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-65.1-35.3-176.9-71174.1000112.3G218 I221 Y222 F250 F254 L258 D260 N264 L265 L266G218-L262 WeakPolarHBondContact O-CD2 3.49Å; I221-L262 HydrophobicContact CB-CD2 4.01Å; I221-L262 HydrophobicContact CG2-CD2 3.9Å; Y222-L262 HydrophobicContact CD2-CD1 4.06Å; F250-L262 HydrophobicContact CD1-CD1 4.19Å; F250-L262 HydrophobicContact CE1-CB 3.67Å; F250-L262 HydrophobicContact CE1-CD1 3.82Å; F250-L262 HydrophobicContact CE1-CG 4.42Å; F250-L262 HydrophobicContact CZ-CB 4.15Å; F254-L262 HydrophobicContact CD2-CD1 4.04Å; F254-L262 HydrophobicContact CE2-CD1 3.62Å; L258-L262 HydrophobicContact CD1-CD1 3.69Å; L258-L262 HydrophobicContact CD1-CG 3.84Å; L258-L262 HydrophobicContact CG-CD1 3.83Å; L258-L262 HydrophobicContact CG-CG 4.39Å; L258-L262 WeakPolarHBondContact O-CB 3.21Å; L258-L262 VanDerWaalsContact O-CG 3.3Å; L258-L262 WeakPolarHBondContact O-CG 3.36Å; L258-L262 PolarHBondContact O-N 3.31Å; D260-L262 PolarHBondContact O-N 2.97Å; L262-N264 PolarHBondContact O-N 2.82Å; L262-L265 PolarHBondContact O-N 3.09Å; L262-L266 WeakPolarHBondContact O-CA 3.33Å; L262-L266 VanDerWaalsContact O-CB 3.23Å; L262-L266 WeakPolarHBondContact O-CB 3.16Å; L262-L266 PolarHBondContact O-N 3.21Å
263K98.5Very high98Very high119 Ų11949.9 Ų49.952%0.51725%0.254SS..Hα-helixtrans-61.4-32.2172.5-77169.9-177.4178.10112.7F250 K259 D260 L261F250-K263 HydrophobicContact CE2-CG 4.06Å; F250-K263 HydrophobicContact CZ-CG 4Å; K259-K263 WeakPolarHBondContact O-CB 3.48Å; K259-K263 VanDerWaalsContact O-CG 3.22Å; K259-K263 WeakPolarHBondContact O-CG 3.37Å; K259-K263 PolarHBondContact O-N 2.7Å; D260-K263 PolarHBondContact O-N 3.44Å; L261-K263 VanDerWaalsContact C-N 3.33Å; L261-K263 PolarHBondContact O-N 3.23Å
264N98.6Very high98Very high34 Ų3448.2 Ų48.218%0.18225%0.245CC..Hα-helixtrans-85.7-27.6-179.9-73.7-69.7000113.3D260 L261 L262 Q267 R273 Y274D260-N264 PolarHBondContact O-N 3.3Å; D260-N264 PolarHBondContact O-ND2 2.85Å; L261-N264 PolarHBondContact O-N 3.21Å; L262-N264 PolarHBondContact O-N 2.82Å; N264-Q267 WeakPolarHBondContact O-CB 3.46Å; N264-R273 WeakPolarHBondContact O-CA 3.46Å; N264-Y274 HydrophobicContact CB-CD1 3.57Å; N264-Y274 HydrophobicContact CB-CD2 3.71Å; N264-Y274 HydrophobicContact CB-CE1 3.63Å; N264-Y274 HydrophobicContact CB-CE2 3.78Å; N264-Y274 HydrophobicContact CB-CG 3.6Å; N264-Y274 PolarHBondContact O-N 3.31Å; N264-Y274 WeakPolarHBondContact OD1-CE1 3.31Å
265L98.7Very high98Very high0 Ų048.6 Ų48.60%025%0.25CS..Hα-helixtrans-83.1-46.3173.6-69.7173000112.5W214 L217 I221 L261 L262 Q267 R273 I284W214-L265 HydrophobicContact CB-CD2 4.38Å; L217-L265 HydrophobicContact CD2-CD1 4.36Å; L217-L265 HydrophobicContact CG-CD1 4.35Å; I221-L265 HydrophobicContact CD1-CD1 4.01Å; L261-L265 HydrophobicContact CD1-CD1 3.92Å; L261-L265 HydrophobicContact CD1-CG 4.17Å; L261-L265 HydrophobicContact CD2-CD1 4.41Å; L261-L265 HydrophobicContact CG-CD1 3.88Å; L261-L265 HydrophobicContact CG-CG 4.47Å; L261-L265 PolarHBondContact O-N 3.41Å; L262-L265 PolarHBondContact O-N 3.09Å; L265-Q267 PolarHBondContact O-N 2.88Å; L265-R273 WeakPolarHBondContact O-CD 3.23Å; L265-R273 WeakPolarHBondContact O-CG 3.32Å; L265-I284 HydrophobicContact CD2-CD1 3.81Å; L265-I284 HydrophobicContact CD2-CG1 4.09Å
266L98.7Very high97.9Very high9 Ų949.7 Ų49.75%0.04725%0.254CS..SBendtrans-82.638.9176.1-57.9178000111.6W215 V219 P230 V248 L262W215-L266 HydrophobicContact CD2-CD2 4.13Å; W215-L266 HydrophobicContact CE3-CD2 4.42Å; W215-L266 HydrophobicContact CZ2-CD2 4.33Å; W215-L266 VanDerWaalsContact CZ3-C 3.43Å; W215-L266 HydrophobicContact CZ3-CB 4.35Å; V219-L266 HydrophobicContact CG2-CD2 3.68Å; P230-L266 HydrophobicContact CB-CD1 4.25Å; P230-L266 HydrophobicContact CG-CD1 4.16Å; V248-L266 HydrophobicContact CG1-CD1 4.3Å; V248-L266 HydrophobicContact CG2-CB 4.27Å; V248-L266 HydrophobicContact CG2-CD1 3.92Å; L262-L266 WeakPolarHBondContact O-CA 3.33Å; L262-L266 VanDerWaalsContact O-CB 3.23Å; L262-L266 WeakPolarHBondContact O-CB 3.16Å; L262-L266 PolarHBondContact O-N 3.21Å
267Q98Very high97.8Very high53 Ų5346.4 Ų46.425%0.24824%0.236CC..  trans-90.5119.9-179176.454.7-100.500109.9N264 L265 D269 K272 R273N264-Q267 WeakPolarHBondContact O-CB 3.46Å; L265-Q267 PolarHBondContact O-N 2.88Å; Q267-D269 VanDerWaalsContact C-N 3.34Å; Q267-D269 HydrophobicContact CG-CB 4.32Å; Q267-D269 VanDerWaalsContact CG-O 3.3Å; Q267-D269 WeakPolarHBondContact CG-O 3.5Å; Q267-K272 HydrophobicContact CG-CB 3.73Å; Q267-R273 HydrophobicContact CB-CB 4.04Å; Q267-R273 HydrophobicContact CB-CG 4.23Å; Q267-R273 HydrophobicContact CG-CB 4.35Å; Q267-R273 VanDerWaalsContact O-CZ 3.31Å; Q267-R273 PolarHBondContact O-NE 3.02Å; Q267-R273 PolarHBondContact O-NH2 2.91Å
268V97.5Very high97.7Very high57 Ų5752.4 Ų52.435%0.34526%0.261SS..SBendtrans-67.2-37.3178.9179.40000111.2P200 W215 L270P200-V268 HydrophobicContact CB-CG1 4.4Å; P200-V268 HydrophobicContact CG-CB 4.49Å; P200-V268 HydrophobicContact CG-CG1 4.16Å; P200-V268 HydrophobicContact CG-CG2 4.38Å; W215-V268 HydrophobicContact CH2-CG2 4.48Å; W215-V268 HydrophobicContact CZ3-CG2 4.38Å; V268-L270 PolarHBondContact O-N 3.42Å
269D96.1Very high97.5Very high56 Ų5657.2 Ų57.230%0.29929%0.287SS..SBendtrans-75.5104.6177-176.8-6.3000111.3Q267 T271 K272 R273Q267-D269 VanDerWaalsContact C-N 3.34Å; Q267-D269 HydrophobicContact CG-CB 4.32Å; Q267-D269 VanDerWaalsContact CG-O 3.3Å; Q267-D269 WeakPolarHBondContact CG-O 3.5Å; D269-T271 VanDerWaalsContact CG-OG1 3.24Å; D269-T271 PolarHBondContact O-N 3.45Å; D269-T271 WeakPolarHBondContact OD1-CB 3.29Å; D269-T271 PolarHBondContact OD1-N 3.34Å; D269-T271 PolarHBondContact OD1-OG1 3.05Å; D269-T271 PolarHBondContact OD2-OG1 2.95Å; D269-K272 HydrophobicContact CB-CB 4.44Å; D269-K272 HydrophobicContact CB-CD 4.29Å; D269-K272 PolarHBondContact O-N 3.24Å; D269-K272 WeakPolarHBondContact OD2-CD 3.39Å; D269-K272 WeakPolarHBondContact OD2-CE 3.41Å; D269-K272 IonicContact OD2-NZ 3.14Å; D269-K272 PolarHBondContact OD2-NZ 2.9Å; D269-K272 VanDerWaalsContact OD2-NZ 3.14Å; D269-R273 PolarHBondContact O-N 3.49Å
270L95.1Very high97.3Very high53 Ų5356 Ų5628%0.27729%0.286SS..THydrogen-bonded Turntrans-54.9-25.5180-68.2177.6000114E201 A211 V268 K272 N276E201-L270 WeakPolarHBondContact OE1-CD2 3.13Å; A211-L270 HydrophobicContact CB-CD2 4.06Å; V268-L270 PolarHBondContact O-N 3.42Å; L270-K272 PolarHBondContact O-N 3.31Å; L270-N276 PolarHBondContact O-ND2 2.63Å
271T95.5Very high97.2Very high106 Ų10653.7 Ų53.765%0.6528%0.275SS*.THydrogen-bonded Turntrans-75-9.9178.871.70000113.2D269 L277D269-T271 VanDerWaalsContact CG-OG1 3.24Å; D269-T271 PolarHBondContact O-N 3.45Å; D269-T271 WeakPolarHBondContact OD1-CB 3.29Å; D269-T271 PolarHBondContact OD1-N 3.34Å; D269-T271 PolarHBondContact OD1-OG1 3.05Å; D269-T271 PolarHBondContact OD2-OG1 2.95Å; T271-L277 WeakPolarHBondContact O-CD2 3.24Å
272K97.5Very high97.1Very high118 Ų11855.3 Ų55.351%0.51329%0.288SS..THydrogen-bonded Turntrans-120.7-9.4-178.6-64175.5-171.1157.10113Q267 D269 L270 Y274Q267-K272 HydrophobicContact CG-CB 3.73Å; D269-K272 HydrophobicContact CB-CB 4.44Å; D269-K272 HydrophobicContact CB-CD 4.29Å; D269-K272 PolarHBondContact O-N 3.24Å; D269-K272 WeakPolarHBondContact OD2-CD 3.39Å; D269-K272 WeakPolarHBondContact OD2-CE 3.41Å; D269-K272 IonicContact OD2-NZ 3.14Å; D269-K272 PolarHBondContact OD2-NZ 2.9Å; D269-K272 VanDerWaalsContact OD2-NZ 3.14Å; L270-K272 PolarHBondContact O-N 3.31Å; K272-Y274 PolarHBondContact O-N 2.91Å
273R98.5Very high97.1Very high0 Ų056.8 Ų56.80%030%0.296CS..SBendtrans-72125.9-178.6-167.5-176.6-61.4161.94.3111.3E201 A211 N264 L265 Q267 D269 N276 L277E201-R273 IonicContact OE1-CZ 3.55Å; E201-R273 IonicContact OE1-NH1 2.69Å; E201-R273 PolarHBondContact OE1-NH1 3.08Å; E201-R273 IonicContact OE1-NH2 3.56Å; E201-R273 IonicContact OE2-CZ 3.64Å; E201-R273 IonicContact OE2-NH1 3.48Å; E201-R273 PolarHBondContact OE2-NH1 3.49Å; E201-R273 IonicContact OE2-NH2 2.88Å; E201-R273 PolarHBondContact OE2-NH2 2.88Å; A211-R273 PolarHBondContact O-NH1 3.34Å; A211-R273 VanDerWaalsContact O-NH1 3.07Å; N264-R273 WeakPolarHBondContact O-CA 3.46Å; L265-R273 WeakPolarHBondContact O-CD 3.23Å; L265-R273 WeakPolarHBondContact O-CG 3.32Å; Q267-R273 HydrophobicContact CB-CB 4.04Å; Q267-R273 HydrophobicContact CB-CG 4.23Å; Q267-R273 HydrophobicContact CG-CB 4.35Å; Q267-R273 VanDerWaalsContact O-CZ 3.31Å; Q267-R273 PolarHBondContact O-NE 3.02Å; Q267-R273 PolarHBondContact O-NH2 2.91Å; D269-R273 PolarHBondContact O-N 3.49Å; R273-N276 PolarHBondContact O-N 2.88Å; R273-N276 VanDerWaalsContact O-N 3.17Å; R273-L277 WeakPolarHBondContact O-CG 3.34Å
274Y98.5Very high97.1Very high43 Ų4351.1 Ų51.117%0.16927%0.272CS..THydrogen-bonded Turntrans-57.7147.2174.4-83.317.3000111.9L261 N264 K272 N276 L277 D283 I284 H287L261-Y274 HydrophobicContact CD1-CD2 4.39Å; N264-Y274 HydrophobicContact CB-CD1 3.57Å; N264-Y274 HydrophobicContact CB-CD2 3.71Å; N264-Y274 HydrophobicContact CB-CE1 3.63Å; N264-Y274 HydrophobicContact CB-CE2 3.78Å; N264-Y274 HydrophobicContact CB-CG 3.6Å; N264-Y274 PolarHBondContact O-N 3.31Å; N264-Y274 WeakPolarHBondContact OD1-CE1 3.31Å; K272-Y274 PolarHBondContact O-N 2.91Å; Y274-N276 PolarHBondContact O-N 2.89Å; Y274-L277 HydrophobicContact CD1-CD1 3.8Å; Y274-L277 HydrophobicContact CE1-CD1 4.11Å; Y274-D283 HydrophobicContact CD1-CB 4.14Å; Y274-D283 HydrophobicContact CD2-CB 4.13Å; Y274-D283 HydrophobicContact CE1-CB 4.32Å; Y274-D283 HydrophobicContact CE2-CB 4.3Å; Y274-D283 VanDerWaalsContact CE2-O 3.3Å; Y274-D283 WeakPolarHBondContact CE2-O 3.42Å; Y274-D283 HydrophobicContact CG-CB 4.05Å; Y274-I284 HydrophobicContact CD2-CG1 4.29Å; Y274-H287 AromaticContact CE2-CD2 3.77Å
275G97.5Very high97.1Very high14 Ų1450.7 Ų50.714%0.14427%0.268CS..THydrogen-bonded Turntrans83-19.6-171.900000114.3W214 G280W214-G275 PolarHBondContact NE1-O 3.08Å; G275-G280 WeakPolarHBondContact CA-O 3.28Å; G275-G280 PolarHBondContact N-O 2.93Å
276N96.6Very high97Very high56 Ų5656.9 Ų56.930%0.29930%0.301SS..SBendtrans-111.44.4176.3-165.858.1000113.5A211 L270 R273 Y274A211-N276 HydrophobicContact CB-CB 3.86Å; L270-N276 PolarHBondContact O-ND2 2.63Å; R273-N276 PolarHBondContact O-N 2.88Å; R273-N276 VanDerWaalsContact O-N 3.17Å; Y274-N276 PolarHBondContact O-N 2.89Å
277L96.5Very high97Very high51 Ų5157 Ų5727%0.26730%0.301SS..SBendtrans-84.8176.9175.7-53.6-172.4000111.4T271 R273 Y274 N279 G280 D283T271-L277 WeakPolarHBondContact O-CD2 3.24Å; R273-L277 WeakPolarHBondContact O-CG 3.34Å; Y274-L277 HydrophobicContact CD1-CD1 3.8Å; Y274-L277 HydrophobicContact CE1-CD1 4.11Å; L277-N279 VanDerWaalsContact C-N 3.26Å; L277-N279 PolarHBondContact O-N 3.27Å; L277-G280 WeakPolarHBondContact O-CA 3.26Å; L277-G280 PolarHBondContact O-N 3.05Å; L277-D283 WeakPolarHBondContact CB-OD2 3.37Å
278K95.7Very high97Very high212 Ų21262.4 Ų62.492%0.92232%0.324SS*.THydrogen-bonded Turntrans-55.3-37.2179.6-174.3-179.5178.1-1770113.4G280K278-G280 VanDerWaalsContact C-N 3.28Å
279N94.9Very high97.1Very high101 Ų10159.9 Ų59.954%0.5431%0.309SS..THydrogen-bonded Turntrans-84.7-3.6179.1-52.3-35.1000112.7L277 V281 A282 D283L277-N279 VanDerWaalsContact C-N 3.26Å; L277-N279 PolarHBondContact O-N 3.27Å; N279-V281 PolarHBondContact O-N 3.07Å; N279-A282 HydrophobicContact CB-CB 4.23Å; N279-A282 VanDerWaalsContact O-CB 3.29Å; N279-A282 WeakPolarHBondContact O-CB 3.24Å; N279-A282 PolarHBondContact O-N 3.07Å; N279-A282 VanDerWaalsContact O-N 3.11Å; N279-D283 WeakPolarHBondContact CB-OD1 3.43Å; N279-D283 WeakPolarHBondContact CB-OD2 3.5Å; N279-D283 PolarHBondContact ND2-OD1 2.91Å
280G95.8Very high97.2Very high19 Ų1957.3 Ų57.320%0.19630%0.295CS..THydrogen-bonded Turntrans55.8-128.717900000112.6G275 L277 K278 A282 D283G275-G280 WeakPolarHBondContact CA-O 3.28Å; G275-G280 PolarHBondContact N-O 2.93Å; L277-G280 WeakPolarHBondContact O-CA 3.26Å; L277-G280 PolarHBondContact O-N 3.05Å; K278-G280 VanDerWaalsContact C-N 3.28Å; G280-A282 PolarHBondContact O-N 2.88Å; G280-D283 PolarHBondContact O-N 2.91Å
281V96.3Very high97.2Very high26 Ų2658.1 Ų58.116%0.15832%0.315CS..THydrogen-bonded Turntrans-64.1-20.3-179.868.80000113.5V144 E148 W214 N279 D283 I284 K285V144-V281 HydrophobicContact CG1-CG2 3.69Å; E148-V281 HydrophobicContact CB-CG2 4.33Å; E148-V281 HydrophobicContact CG-CG1 4.03Å; E148-V281 VanDerWaalsContact OE1-CG1 3.3Å; E148-V281 WeakPolarHBondContact OE1-CG1 3.25Å; W214-V281 HydrophobicContact CH2-CB 4.27Å; W214-V281 HydrophobicContact CH2-CG2 3.61Å; W214-V281 HydrophobicContact CZ2-CB 4.17Å; W214-V281 HydrophobicContact CZ2-CG2 4.03Å; W214-V281 HydrophobicContact CZ3-CG2 4.4Å; N279-V281 PolarHBondContact O-N 3.07Å; V281-D283 VanDerWaalsContact C-N 3.26Å; V281-D283 PolarHBondContact O-N 3.49Å; V281-I284 WeakPolarHBondContact O-CB 3.21Å; V281-I284 PolarHBondContact O-N 3.4Å; V281-K285 HydrophobicContact CG2-CD 4.44Å; V281-K285 HydrophobicContact CG2-CG 4.22Å; V281-K285 PolarHBondContact O-N 3.32Å
282A96.7Very high97.1Very high34 Ų3457.6 Ų57.628%0.28132%0.316SS..Hα-helixtrans-65.2-30-179.400000112.5N279 G280 I284 K285 N286N279-A282 HydrophobicContact CB-CB 4.23Å; N279-A282 VanDerWaalsContact O-CB 3.29Å; N279-A282 WeakPolarHBondContact O-CB 3.24Å; N279-A282 PolarHBondContact O-N 3.07Å; N279-A282 VanDerWaalsContact O-N 3.11Å; G280-A282 PolarHBondContact O-N 2.88Å; A282-I284 PolarHBondContact O-N 3.15Å; A282-K285 PolarHBondContact O-N 2.83Å; A282-N286 VanDerWaalsContact O-CB 3.28Å; A282-N286 WeakPolarHBondContact O-CB 3.29Å; A282-N286 PolarHBondContact O-N 3.42Å; A282-N286 PolarHBondContact O-ND2 2.86Å; A282-N286 VanDerWaalsContact O-ND2 3.09Å
283D97.9Very high97Very high31 Ų3153 Ų5317%0.16630%0.298CS..Hα-helixtrans-64.4-29.3173.7-68.3-36.3000111.7Y274 L277 N279 G280 V281Y274-D283 HydrophobicContact CD1-CB 4.14Å; Y274-D283 HydrophobicContact CD2-CB 4.13Å; Y274-D283 HydrophobicContact CE1-CB 4.32Å; Y274-D283 HydrophobicContact CE2-CB 4.3Å; Y274-D283 VanDerWaalsContact CE2-O 3.3Å; Y274-D283 WeakPolarHBondContact CE2-O 3.42Å; Y274-D283 HydrophobicContact CG-CB 4.05Å; L277-D283 WeakPolarHBondContact CB-OD2 3.37Å; N279-D283 WeakPolarHBondContact CB-OD1 3.43Å; N279-D283 WeakPolarHBondContact CB-OD2 3.5Å; N279-D283 PolarHBondContact ND2-OD1 2.91Å; G280-D283 PolarHBondContact O-N 2.91Å; V281-D283 VanDerWaalsContact C-N 3.26Å; V281-D283 PolarHBondContact O-N 3.49Å
284I98.5Very high96.8Very high0 Ų057 Ų570%032%0.32CS..Hα-helixtrans-79.3-51.7174.5-56.6172000109.8V144 W214 L265 Y274 V281 A282 N286 H287 F290V144-I284 HydrophobicContact CG1-CG2 4.48Å; V144-I284 HydrophobicContact CG2-CG2 3.84Å; W214-I284 HydrophobicContact CD2-CD1 3.65Å; W214-I284 HydrophobicContact CE3-CD1 3.29Å; W214-I284 HydrophobicContact CG-CD1 4.26Å; W214-I284 HydrophobicContact CH2-CD1 4.27Å; W214-I284 HydrophobicContact CZ3-CD1 3.63Å; L265-I284 HydrophobicContact CD2-CD1 3.81Å; L265-I284 HydrophobicContact CD2-CG1 4.09Å; Y274-I284 HydrophobicContact CD2-CG1 4.29Å; V281-I284 WeakPolarHBondContact O-CB 3.21Å; V281-I284 PolarHBondContact O-N 3.4Å; A282-I284 PolarHBondContact O-N 3.15Å; I284-N286 VanDerWaalsContact C-N 3.29Å; I284-N286 PolarHBondContact O-N 3.45Å; I284-H287 VanDerWaalsContact O-CB 3.25Å; I284-H287 WeakPolarHBondContact O-CB 3.47Å; I284-H287 PolarHBondContact O-N 3.42Å; I284-H287 VanDerWaalsContact O-N 3.13Å; I284-F290 HydrophobicContact CG2-CD2 4.26Å; I284-F290 HydrophobicContact CG2-CE2 3.73Å; I284-F290 VanDerWaalsContact O-CD2 3.28Å; I284-F290 WeakPolarHBondContact O-CD2 3.03Å
285K97.9Very high96.7Very high25 Ų2556.7 Ų56.711%0.10932%0.318CS..Hα-helixtrans-62.2-34.9-174.7-75.3-175.2171177.10114V144 E148 V281 A282 W295V144-K285 HydrophobicContact CG1-CG 3.88Å; E148-K285 IonicContact OE1-NZ 3.41Å; E148-K285 PolarHBondContact OE1-NZ 3.4Å; E148-K285 WeakPolarHBondContact OE2-CE 3.4Å; E148-K285 IonicContact OE2-NZ 3.29Å; E148-K285 PolarHBondContact OE2-NZ 2.89Å; V281-K285 HydrophobicContact CG2-CD 4.44Å; V281-K285 HydrophobicContact CG2-CG 4.22Å; V281-K285 PolarHBondContact O-N 3.32Å; A282-K285 PolarHBondContact O-N 2.83Å; K285-W295 VanDerWaalsContact CA-CZ2 3.44Å; K285-W295 HydrophobicContact CB-CD2 4.45Å; K285-W295 HydrophobicContact CB-CH2 4.45Å; K285-W295 HydrophobicContact CB-CZ2 3.75Å; K285-W295 HydrophobicContact CD-CD2 4.09Å; K285-W295 HydrophobicContact CD-CE3 4.37Å; K285-W295 HydrophobicContact CD-CG 4.45Å; K285-W295 HydrophobicContact CG-CD2 3.97Å; K285-W295 HydrophobicContact CG-CE3 4.21Å; K285-W295 HydrophobicContact CG-CH2 3.88Å; K285-W295 HydrophobicContact CG-CZ2 3.64Å; K285-W295 HydrophobicContact CG-CZ3 4.14Å; K285-W295 PolarHBondContact O-NE1 2.82Å
286N97.6Very high96.4Very high130 Ų13058.4 Ų58.470%0.69532%0.324SS*.THydrogen-bonded Turntrans-91.80.3-179.1-61.9-39.6000113.1A282 I284A282-N286 VanDerWaalsContact O-CB 3.28Å; A282-N286 WeakPolarHBondContact O-CB 3.29Å; A282-N286 PolarHBondContact O-N 3.42Å; A282-N286 PolarHBondContact O-ND2 2.86Å; A282-N286 VanDerWaalsContact O-ND2 3.09Å; I284-N286 VanDerWaalsContact C-N 3.29Å; I284-N286 PolarHBondContact O-N 3.45Å
287H98.6Very high96.3Very high11 Ų1156.2 Ų56.25%0.05131%0.313CS..SBendtrans-63143.1178-172.5-90.7000110.9E257 D260 L261 Y274 I284 W289 F290 G291E257-H287 PolarHBondContact O-CE1 3.05Å; D260-H287 IonicContact OD2-NE2 3.18Å; D260-H287 PolarHBondContact OD2-NE2 2.94Å; L261-H287 HydrophobicContact CD1-CB 4.15Å; L261-H287 PolarHBondContact N-CE1 3.25Å; Y274-H287 AromaticContact CE2-CD2 3.77Å; I284-H287 VanDerWaalsContact O-CB 3.25Å; I284-H287 WeakPolarHBondContact O-CB 3.47Å; I284-H287 PolarHBondContact O-N 3.42Å; I284-H287 VanDerWaalsContact O-N 3.13Å; H287-W289 WeakPolarHBondContact ND1-CB 3.36Å; H287-W289 PolarHBondContact ND1-N 3.46Å; H287-W289 VanDerWaalsContact ND1-N 3.1Å; H287-W289 PolarHBondContact O-N 3.29Å; H287-W289 VanDerWaalsContact O-N 3.09Å; H287-F290 WeakPolarHBondContact O-CA 3.41Å; H287-F290 PolarHBondContact O-N 2.49Å; H287-G291 PolarHBondContact O-N 2.74Å
288K98.4Very high96.2Very high168 Ų16854 Ų5473%0.7330%0.302SS*.G310 helixtrans-54.5-35.2-176.3-67.6-177.4-178.9178.20113.6E257 F290 G291E257-K288 HydrophobicContact CG-CB 4.01Å; K288-F290 PolarHBondContact O-N 2.75Å; K288-G291 PolarHBondContact O-N 3.1Å
289W98.6Very high96Very high4 Ų447.1 Ų47.12%0.01527%0.27CS..G310 helixtrans-60.7-30176-168.275.5000112.8E133 R137 A140 I221 E257 L258 L261 H287E133-W289 HydrophobicContact CB-CZ2 4.29Å; E133-W289 PolarHBondContact OE2-NE1 2.94Å; R137-W289 HydrophobicContact CB-CE3 4.36Å; R137-W289 HydrophobicContact CB-CH2 3.55Å; R137-W289 HydrophobicContact CB-CZ2 3.9Å; R137-W289 HydrophobicContact CB-CZ3 3.78Å; R137-W289 WeakPolarHBondContact CD-O 3.44Å; R137-W289 HydrophobicContact CG-CE3 4.16Å; R137-W289 HydrophobicContact CG-CH2 4.22Å; R137-W289 HydrophobicContact CG-CZ3 3.92Å; R137-W289 PolarHBondContact NE-O 2.97Å; R137-W289 PolarHBondContact NH2-O 3.09Å; A140-W289 HydrophobicContact CB-CH2 4.46Å; A140-W289 HydrophobicContact CB-CZ3 4.17Å; I221-W289 HydrophobicContact CD1-CZ3 4.33Å; I221-W289 HydrophobicContact CG2-CH2 3.91Å; I221-W289 HydrophobicContact CG2-CZ2 4.37Å; I221-W289 HydrophobicContact CG2-CZ3 4.34Å; E257-W289 HydrophobicContact CB-CB 3.99Å; E257-W289 HydrophobicContact CB-CG 4.46Å; L258-W289 HydrophobicContact CD1-CD2 4.3Å; L258-W289 HydrophobicContact CD1-CZ2 3.92Å; L261-W289 HydrophobicContact CB-CB 4.31Å; L261-W289 HydrophobicContact CD2-CB 4.1Å; L261-W289 HydrophobicContact CD2-CD2 3.91Å; L261-W289 HydrophobicContact CD2-CE3 3.39Å; L261-W289 HydrophobicContact CD2-CG 4.23Å; L261-W289 HydrophobicContact CD2-CZ3 4.03Å; H287-W289 WeakPolarHBondContact ND1-CB 3.36Å; H287-W289 PolarHBondContact ND1-N 3.46Å; H287-W289 VanDerWaalsContact ND1-N 3.1Å; H287-W289 PolarHBondContact O-N 3.29Å; H287-W289 VanDerWaalsContact O-N 3.09Å
290F98.4Very high96Very high2 Ų246.8 Ų46.81%0.00927%0.265CS..G310 helixtrans-91.97.6172.4-74.6-73.4000113.3R137 A140 A141 V144 L261 I284 H287 K288 S292 T293 W295R137-F290 HydrophobicContact CG-CD1 3.71Å; R137-F290 HydrophobicContact CG-CE1 3.93Å; A140-F290 HydrophobicContact CB-CE1 4.09Å; A140-F290 HydrophobicContact CB-CZ 3.89Å; A141-F290 HydrophobicContact CB-CE1 4.21Å; V144-F290 HydrophobicContact CG2-CZ 4.18Å; L261-F290 HydrophobicContact CD2-CD2 4.21Å; L261-F290 HydrophobicContact CD2-CE2 3.72Å; L261-F290 HydrophobicContact CD2-CZ 4.49Å; I284-F290 HydrophobicContact CG2-CD2 4.26Å; I284-F290 HydrophobicContact CG2-CE2 3.73Å; I284-F290 VanDerWaalsContact O-CD2 3.28Å; I284-F290 WeakPolarHBondContact O-CD2 3.03Å; H287-F290 WeakPolarHBondContact O-CA 3.41Å; H287-F290 PolarHBondContact O-N 2.49Å; K288-F290 PolarHBondContact O-N 2.75Å; F290-S292 PolarHBondContact O-N 2.8Å; F290-T293 HydrophobicContact CD1-CG2 4.43Å; F290-T293 WeakPolarHBondContact CD1-OG1 3.39Å; F290-T293 WeakPolarHBondContact O-CA 2.96Å; F290-T293 WeakPolarHBondContact O-CB 3.38Å; F290-T293 PolarHBondContact O-N 3.06Å; F290-T293 PolarHBondContact O-OG1 3.12Å; F290-W295 HydrophobicContact CB-CZ2 3.79Å; F290-W295 AromaticContact CD1-CH2 3.66Å; F290-W295 HydrophobicContact CD1-CH2 3.66Å; F290-W295 AromaticContact CD1-CZ2 3.78Å; F290-W295 HydrophobicContact CD1-CZ2 3.78Å; F290-W295 HydrophobicContact CD2-CH2 4.42Å; F290-W295 HydrophobicContact CD2-CZ2 4.36Å; F290-W295 AromaticContact CE1-CH2 3.87Å; F290-W295 HydrophobicContact CE1-CH2 3.87Å; F290-W295 HydrophobicContact CE1-CZ2 4.43Å; F290-W295 AromaticContact CG-CH2 3.97Å; F290-W295 HydrophobicContact CG-CH2 3.97Å; F290-W295 AromaticContact CG-CZ2 3.74Å; F290-W295 HydrophobicContact CG-CZ2 3.74Å; F290-W295 HydrophobicContact CZ-CH2 4.32Å
291G95.9Very high95.8Very high69 Ų6949.2 Ų49.271%0.71127%0.271SS*.THydrogen-bonded Turntrans-58.2-22.7-17100000115.7H287 K288H287-G291 PolarHBondContact O-N 2.74Å; K288-G291 PolarHBondContact O-N 3.1Å
292S93.7Very high95.6Very high95 Ų9554.8 Ų54.866%0.66429%0.293SS*.THydrogen-bonded Turntrans-93.76.3174.871.80000114.2F290F290-S292 PolarHBondContact O-N 2.8Å
293T95.4Very high95.1Very high23 Ų2355.9 Ų55.914%0.14129%0.293CS..  trans-91.9116.5-171-48.70000110.3A141 F290 W295 I298A141-T293 HydrophobicContact CB-CG2 3.73Å; F290-T293 HydrophobicContact CD1-CG2 4.43Å; F290-T293 WeakPolarHBondContact CD1-OG1 3.39Å; F290-T293 WeakPolarHBondContact O-CA 2.96Å; F290-T293 WeakPolarHBondContact O-CB 3.38Å; F290-T293 PolarHBondContact O-N 3.06Å; F290-T293 PolarHBondContact O-OG1 3.12Å; T293-W295 HydrophobicContact CG2-CD2 4.09Å; T293-W295 HydrophobicContact CG2-CE3 4.27Å; T293-W295 HydrophobicContact CG2-CH2 4.32Å; T293-W295 HydrophobicContact CG2-CZ2 4.1Å; T293-W295 HydrophobicContact CG2-CZ3 4.41Å; T293-W295 PolarHBondContact O-N 2.94Å; T293-I298 HydrophobicContact CG2-CG1 4.19Å
294D94.5Very high94.1Very high84 Ų8458.8 Ų58.845%0.44931%0.312SS..  trans-85.698.3166.4-175.6-22.2000109.6I296 A297 I298D294-I296 VanDerWaalsContact C-N 3.27Å; D294-I296 PolarHBondContact O-N 3.47Å; D294-I296 PolarHBondContact OD1-N 3.31Å; D294-A297 HydrophobicContact CB-CB 3.82Å; D294-A297 VanDerWaalsContact CG-CB 3.42Å; D294-A297 PolarHBondContact O-N 3.46Å; D294-A297 PolarHBondContact OD1-N 3.41Å; D294-I298 VanDerWaalsContact O-CG1 3.3Å; D294-I298 WeakPolarHBondContact O-CG1 3.48Å; D294-I298 PolarHBondContact O-N 3.38Å
295W94.9Very high92.5Very high35 Ų3558.9 Ų58.913%0.13331%0.313CS..Hα-helixtrans-59-35.3-178.4-63.4102.2000113.5A141 V144 L145 K285 F290 T293 Y299A141-W295 HydrophobicContact CB-CE3 4.38Å; A141-W295 HydrophobicContact CB-CH2 4.16Å; A141-W295 HydrophobicContact CB-CZ3 3.76Å; A141-W295 WeakPolarHBondContact O-CZ3 3.45Å; V144-W295 HydrophobicContact CB-CH2 4.1Å; V144-W295 HydrophobicContact CB-CZ3 3.84Å; V144-W295 HydrophobicContact CG1-CH2 3.85Å; V144-W295 HydrophobicContact CG1-CZ3 3.69Å; V144-W295 HydrophobicContact CG2-CH2 4.39Å; L145-W295 HydrophobicContact CD1-CE3 4.2Å; L145-W295 HydrophobicContact CD2-CE3 4.01Å; L145-W295 HydrophobicContact CG-CE3 3.92Å; L145-W295 HydrophobicContact CG-CZ3 4.31Å; K285-W295 VanDerWaalsContact CA-CZ2 3.44Å; K285-W295 HydrophobicContact CB-CD2 4.45Å; K285-W295 HydrophobicContact CB-CH2 4.45Å; K285-W295 HydrophobicContact CB-CZ2 3.75Å; K285-W295 HydrophobicContact CD-CD2 4.09Å; K285-W295 HydrophobicContact CD-CE3 4.37Å; K285-W295 HydrophobicContact CD-CG 4.45Å; K285-W295 HydrophobicContact CG-CD2 3.97Å; K285-W295 HydrophobicContact CG-CE3 4.21Å; K285-W295 HydrophobicContact CG-CH2 3.88Å; K285-W295 HydrophobicContact CG-CZ2 3.64Å; K285-W295 HydrophobicContact CG-CZ3 4.14Å; K285-W295 PolarHBondContact O-NE1 2.82Å; F290-W295 HydrophobicContact CB-CZ2 3.79Å; F290-W295 AromaticContact CD1-CH2 3.66Å; F290-W295 HydrophobicContact CD1-CH2 3.66Å; F290-W295 AromaticContact CD1-CZ2 3.78Å; F290-W295 HydrophobicContact CD1-CZ2 3.78Å; F290-W295 HydrophobicContact CD2-CH2 4.42Å; F290-W295 HydrophobicContact CD2-CZ2 4.36Å; F290-W295 AromaticContact CE1-CH2 3.87Å; F290-W295 HydrophobicContact CE1-CH2 3.87Å; F290-W295 HydrophobicContact CE1-CZ2 4.43Å; F290-W295 AromaticContact CG-CH2 3.97Å; F290-W295 HydrophobicContact CG-CH2 3.97Å; F290-W295 AromaticContact CG-CZ2 3.74Å; F290-W295 HydrophobicContact CG-CZ2 3.74Å; F290-W295 HydrophobicContact CZ-CH2 4.32Å; T293-W295 HydrophobicContact CG2-CD2 4.09Å; T293-W295 HydrophobicContact CG2-CE3 4.27Å; T293-W295 HydrophobicContact CG2-CH2 4.32Å; T293-W295 HydrophobicContact CG2-CZ2 4.1Å; T293-W295 HydrophobicContact CG2-CZ3 4.41Å; T293-W295 PolarHBondContact O-N 2.94Å; W295-Y299 WeakPolarHBondContact O-CB 3.3Å; W295-Y299 PolarHBondContact O-N 3.42Å
296I92.4Very high90.6Very high51 Ų5160.5 Ų60.526%0.26233%0.326SS..Hα-helixtrans-73.8-44.7179.7-63.2-179.3000109.5M4 D294 I298 Y299 Q300M4-I296 HydrophobicContact CE-CD1 3.8Å; M4-I296 HydrophobicContact CE-CG1 4.49Å; M4-I296 HydrophobicContact CG-CD1 4.11Å; M4-I296 HydrophobicContact SD-CD1 4.37Å; D294-I296 VanDerWaalsContact C-N 3.27Å; D294-I296 PolarHBondContact O-N 3.47Å; D294-I296 PolarHBondContact OD1-N 3.31Å; I296-I298 VanDerWaalsContact C-N 3.29Å; I296-I298 PolarHBondContact O-N 2.92Å; I296-Y299 PolarHBondContact O-N 2.91Å; I296-Q300 HydrophobicContact CG2-CG 4.22Å; I296-Q300 WeakPolarHBondContact O-CB 3.21Å; I296-Q300 WeakPolarHBondContact O-CG 3.42Å; I296-Q300 PolarHBondContact O-N 3.23Å
297A93.3Very high88.5Confident10 Ų1055 Ų558%0.08330%0.298CS..Hα-helixtrans-64.3-36.217800000111.7D294 K301 K302 I303D294-A297 HydrophobicContact CB-CB 3.82Å; D294-A297 VanDerWaalsContact CG-CB 3.42Å; D294-A297 PolarHBondContact O-N 3.46Å; D294-A297 PolarHBondContact OD1-N 3.41Å; A297-K301 PolarHBondContact O-N 2.86Å; A297-K302 HydrophobicContact CB-CB 4.25Å; A297-K302 PolarHBondContact O-N 3.39Å; A297-I303 HydrophobicContact CB-CD1 3.51Å; A297-I303 HydrophobicContact CB-CG1 3.64Å
298I94.2Very high86.2Confident4 Ų459.3 Ų59.32%0.02132%0.317CS..Hα-helixtrans-60.3-55.3170.6-66.5-71.3000109.7F95 F138 A141 Q142 L145 T293 D294 I296 Q300 K301 I303F95-I298 HydrophobicContact CE2-CG2 4.19Å; F95-I298 HydrophobicContact CZ-CG2 3.92Å; F95-I298 WeakPolarHBondContact CZ-O 3.23Å; F138-I298 HydrophobicContact CD2-CD1 3.52Å; F138-I298 HydrophobicContact CE2-CD1 3.6Å; A141-I298 HydrophobicContact CB-CG1 4.31Å; A141-I298 HydrophobicContact CB-CG2 4.32Å; Q142-I298 HydrophobicContact CG-CG2 3.71Å; L145-I298 HydrophobicContact CD1-CB 4.2Å; L145-I298 HydrophobicContact CD1-CG2 3.73Å; T293-I298 HydrophobicContact CG2-CG1 4.19Å; D294-I298 VanDerWaalsContact O-CG1 3.3Å; D294-I298 WeakPolarHBondContact O-CG1 3.48Å; D294-I298 PolarHBondContact O-N 3.38Å; I296-I298 VanDerWaalsContact C-N 3.29Å; I296-I298 PolarHBondContact O-N 2.92Å; I298-Q300 VanDerWaalsContact C-N 3.28Å; I298-Q300 PolarHBondContact O-N 3.46Å; I298-K301 WeakPolarHBondContact O-CA 3.48Å; I298-K301 PolarHBondContact O-N 3.41Å; I298-I303 HydrophobicContact CD1-CB 3.9Å; I298-I303 HydrophobicContact CD1-CG1 3.83Å; I298-I303 HydrophobicContact CD1-CG2 4.17Å; I298-I303 HydrophobicContact CG1-CG1 4.16Å
299Y93.3Very high83.7Confident68 Ų6856.2 Ų56.227%0.26732%0.316SS..Hα-helixtrans-53.5-43179.9174.1-101.9000113F11 F93 P94 W295 I296 K301F11-Y299 HydrophobicContact CE1-CE2 4.2Å; F11-Y299 AromaticContact CE2-CZ 3.87Å; F11-Y299 WeakPolarHBondContact CE2-OH 3.47Å; F11-Y299 AromaticContact CZ-CE2 3.96Å; F11-Y299 HydrophobicContact CZ-CE2 3.96Å; F11-Y299 AromaticContact CZ-CZ 3.73Å; F11-Y299 WeakPolarHBondContact CZ-OH 3.24Å; F93-Y299 HydrophobicContact CD2-CE2 4.33Å; F93-Y299 HydrophobicContact CE2-CD2 4.08Å; F93-Y299 AromaticContact CE2-CE2 3.63Å; F93-Y299 HydrophobicContact CE2-CE2 3.63Å; F93-Y299 AromaticContact CZ-CD2 3.91Å; F93-Y299 HydrophobicContact CZ-CD2 3.91Å; F93-Y299 AromaticContact CZ-CE2 3.94Å; F93-Y299 HydrophobicContact CZ-CE2 3.94Å; P94-Y299 HydrophobicContact CG-CD2 4.13Å; P94-Y299 HydrophobicContact CG-CE2 3.63Å; W295-Y299 WeakPolarHBondContact O-CB 3.3Å; W295-Y299 PolarHBondContact O-N 3.42Å; I296-Y299 PolarHBondContact O-N 2.91Å; Y299-K301 PolarHBondContact O-N 3.23Å
300Q92.9Very high80.9Confident93 Ų9366.2 Ų66.244%0.43536%0.36SS..THydrogen-bonded Turntrans-79.14.9179.5-66.6-179.6-8.900114I296 I298 K302I296-Q300 HydrophobicContact CG2-CG 4.22Å; I296-Q300 WeakPolarHBondContact O-CB 3.21Å; I296-Q300 WeakPolarHBondContact O-CG 3.42Å; I296-Q300 PolarHBondContact O-N 3.23Å; I298-Q300 VanDerWaalsContact C-N 3.28Å; I298-Q300 PolarHBondContact O-N 3.46Å; Q300-K302 VanDerWaalsContact C-N 3.27Å; Q300-K302 HydrophobicContact CB-CD 3.98Å; Q300-K302 HydrophobicContact CB-CG 3.92Å; Q300-K302 PolarHBondContact O-N 2.8Å
301K92.3Very high78.6Confident71 Ų7169.5 Ų69.531%0.30939%0.394SS..THydrogen-bonded Turntrans53.737.7-174.1-60.8-167.4172.5-1690114.4F95 D168 Y172 A297 I298 Y299F95-K301 HydrophobicContact CE1-CG 4.14Å; D168-K301 IonicContact OD2-NZ 2.96Å; D168-K301 PolarHBondContact OD2-NZ 3.22Å; Y172-K301 HydrophobicContact CD1-CB 4.49Å; Y172-K301 HydrophobicContact CD1-CD 4.28Å; Y172-K301 HydrophobicContact CD1-CG 3.87Å; Y172-K301 HydrophobicContact CD2-CB 4.28Å; Y172-K301 HydrophobicContact CD2-CD 4.26Å; Y172-K301 HydrophobicContact CD2-CG 4.26Å; Y172-K301 HydrophobicContact CE1-CB 4.15Å; Y172-K301 HydrophobicContact CE1-CG 3.91Å; Y172-K301 HydrophobicContact CE2-CB 3.91Å; Y172-K301 HydrophobicContact CE2-CG 4.29Å; Y172-K301 HydrophobicContact CG-CD 4.02Å; Y172-K301 HydrophobicContact CG-CG 4.05Å; Y172-K301 VanDerWaalsContact CZ-CA 3.43Å; Y172-K301 VanDerWaalsContact OH-CA 3.26Å; Y172-K301 WeakPolarHBondContact OH-CA 3.4Å; A297-K301 PolarHBondContact O-N 2.86Å; I298-K301 WeakPolarHBondContact O-CA 3.48Å; I298-K301 PolarHBondContact O-N 3.41Å; Y299-K301 PolarHBondContact O-N 3.23Å
302K91.7Very high76.5Confident143 Ų14372.3 Ų72.362%0.62239%0.389SS*.  trans-99.3-3.8-177.2-70.7-177.7177.7171.40114.8Y172 A297 Q300Y172-K302 PolarHBondContact OH-N 3.41Å; A297-K302 HydrophobicContact CB-CB 4.25Å; A297-K302 PolarHBondContact O-N 3.39Å; Q300-K302 VanDerWaalsContact C-N 3.27Å; Q300-K302 HydrophobicContact CB-CD 3.98Å; Q300-K302 HydrophobicContact CB-CG 3.92Å; Q300-K302 PolarHBondContact O-N 2.8Å
303I86.8Confident74.6Confident56 Ų5671.2 Ų71.229%0.28738%0.381SS..PPolyproline II helixtrans-93.7116.9177.1-62.3-59.3000108F138 Y172 A297 I298 P305F138-I303 HydrophobicContact CD2-CG2 4.04Å; F138-I303 HydrophobicContact CE2-CB 4.21Å; F138-I303 HydrophobicContact CE2-CG2 4.01Å; Y172-I303 PolarHBondContact OH-N 3.21Å; Y172-I303 PolarHBondContact OH-O 3.31Å; A297-I303 HydrophobicContact CB-CD1 3.51Å; A297-I303 HydrophobicContact CB-CG1 3.64Å; I298-I303 HydrophobicContact CD1-CB 3.9Å; I298-I303 HydrophobicContact CD1-CG1 3.83Å; I298-I303 HydrophobicContact CD1-CG2 4.17Å; I298-I303 HydrophobicContact CG1-CG1 4.16Å; I303-P305 VanDerWaalsContact O-CD 3.25Å; I303-P305 WeakPolarHBondContact O-CD 3.13Å
304T76.3Confident72.7Confident92 Ų9276.2 Ų76.256%0.56441%0.407SS*.PPolyproline II helixtrans-71.2121166.3-6.30000107.9F308T304-F308 VanDerWaalsContact CB-CD2 3.41Å; T304-F308 HydrophobicContact CG2-CB 4.33Å; T304-F308 HydrophobicContact CG2-CD1 4.24Å; T304-F308 HydrophobicContact CG2-CD2 3.07Å; T304-F308 HydrophobicContact CG2-CE1 4.35Å; T304-F308 HydrophobicContact CG2-CE2 3.13Å; T304-F308 HydrophobicContact CG2-CG 3.65Å; T304-F308 HydrophobicContact CG2-CZ 3.85Å
305P66.2Low71.1Confident2 Ų273.5 Ų73.51%0.01340%0.399CS..PPolyproline II helixtrans-59153.2-174.9-1212.6000113.2F138 I303 S307 F308 Y322F138-P305 HydrophobicContact CD1-CB 3.81Å; F138-P305 HydrophobicContact CD1-CG 4.14Å; F138-P305 HydrophobicContact CD2-CB 4.29Å; F138-P305 HydrophobicContact CE1-CB 3.73Å; F138-P305 HydrophobicContact CE1-CG 3.5Å; F138-P305 HydrophobicContact CE2-CB 4.22Å; F138-P305 HydrophobicContact CE2-CG 4.03Å; F138-P305 HydrophobicContact CG-CB 4.11Å; F138-P305 HydrophobicContact CZ-CB 3.97Å; F138-P305 HydrophobicContact CZ-CG 3.47Å; F138-P305 VanDerWaalsContact CZ-CG 3.47Å; I303-P305 VanDerWaalsContact O-CD 3.25Å; I303-P305 WeakPolarHBondContact O-CD 3.13Å; P305-S307 PolarHBondContact O-N 3Å; P305-F308 VanDerWaalsContact O-CD2 3.27Å; P305-F308 WeakPolarHBondContact O-CD2 3.31Å; P305-F308 PolarHBondContact O-N 2.96Å; P305-Y322 WeakPolarHBondContact CA-OH 3.18Å; P305-Y322 WeakPolarHBondContact CB-OH 3.34Å; P305-Y322 WeakPolarHBondContact CD-OH 3.28Å; P305-Y322 HydrophobicContact CG-CE1 3.92Å; P305-Y322 WeakPolarHBondContact CG-OH 3.5Å; P305-Y322 PolarHBondContact O-OH 2.88Å
306P57.7Low69.6Low59 Ų5981.5 Ų81.538%0.38343%0.429SS..THydrogen-bonded Turntrans-62.214.4-158.4-26.636000120.6P134P134-P306 HydrophobicContact CB-CB 4.04Å; P134-P306 HydrophobicContact CB-CG 3.98Å
307S53.6Low68.2Low16 Ų1681.3 Ų81.311%0.11243%0.428CS..THydrogen-bonded Turntrans-104.46.7176.1-65.30000114.2H135 P305 S309 L321H135-S307 PolarHBondContact CE1-OG 3.23Å; H135-S307 PolarHBondContact NE2-OG 3.04Å; P305-S307 PolarHBondContact O-N 3Å; S307-S309 VanDerWaalsContact C-N 3.32Å; S307-S309 PolarHBondContact O-N 2.74Å; S307-L321 WeakPolarHBondContact OG-CD1 3.44Å
308F49.9Very low66.7Low101 Ų10182.7 Ų82.744%0.44343%0.433SS..  trans-81.85.6-179.9-79.8-72.1000116T304 P305 K310 F318 Y322T304-F308 VanDerWaalsContact CB-CD2 3.41Å; T304-F308 HydrophobicContact CG2-CB 4.33Å; T304-F308 HydrophobicContact CG2-CD1 4.24Å; T304-F308 HydrophobicContact CG2-CD2 3.07Å; T304-F308 HydrophobicContact CG2-CE1 4.35Å; T304-F308 HydrophobicContact CG2-CE2 3.13Å; T304-F308 HydrophobicContact CG2-CG 3.65Å; T304-F308 HydrophobicContact CG2-CZ 3.85Å; P305-F308 VanDerWaalsContact O-CD2 3.27Å; P305-F308 WeakPolarHBondContact O-CD2 3.31Å; P305-F308 PolarHBondContact O-N 2.96Å; F308-K310 PolarHBondContact O-N 3.26Å; F308-F318 HydrophobicContact CE1-CE2 4.43Å; F308-Y322 HydrophobicContact CD2-CE2 4.33Å; F308-Y322 AromaticContact CD2-CZ 3.82Å; F308-Y322 VanDerWaalsContact CD2-OH 3.22Å; F308-Y322 WeakPolarHBondContact CD2-OH 3.48Å; F308-Y322 HydrophobicContact CE2-CD1 4.34Å; F308-Y322 AromaticContact CE2-CE1 3.39Å; F308-Y322 HydrophobicContact CE2-CE1 3.39Å; F308-Y322 AromaticContact CE2-CE2 3.77Å; F308-Y322 HydrophobicContact CE2-CE2 3.77Å; F308-Y322 AromaticContact CE2-CZ 3.05Å; F308-Y322 WeakPolarHBondContact CE2-OH 3.36Å; F308-Y322 HydrophobicContact CZ-CD1 4.12Å; F308-Y322 HydrophobicContact CZ-CD2 4.49Å; F308-Y322 AromaticContact CZ-CE1 3.59Å; F308-Y322 HydrophobicContact CZ-CE1 3.59Å; F308-Y322 HydrophobicContact CZ-CE2 4.01Å; F308-Y322 AromaticContact CZ-CZ 3.54Å
309S44.8Very low65.1Low102 Ų10285.9 Ų85.971%0.71345%0.447SS*.SBendtrans-74.191.1169.252.30000109.9S307 G311S307-S309 VanDerWaalsContact C-N 3.32Å; S307-S309 PolarHBondContact O-N 2.74Å; S309-G311 PolarHBondContact O-N 2.71Å; S309-G311 VanDerWaalsContact O-N 3.13Å
310K41.2Very low63.5Low214 Ų21482.7 Ų82.793%0.9344%0.435SS*.SBendtrans-0.793.7167.1-64.8-178.4177.8-1790114.8F308F308-K310 PolarHBondContact O-N 3.26Å
311G48.6Very low62.2Low71 Ų7178.2 Ų78.273%0.73241%0.414SS*.SBendtrans169.6-29170.900000116.8S309S309-G311 PolarHBondContact O-N 2.71Å; S309-G311 VanDerWaalsContact O-N 3.13Å
312E52.3Low61Low128 Ų12875.7 Ų75.760%0.59840%0.402SS*.  trans-120.735.9-169.8-66-171.816000114.6N314 G315 F318E312-N314 PolarHBondContact O-N 2.72Å; E312-G315 PolarHBondContact O-N 3.17Å; E312-F318 WeakPolarHBondContact O-CB 3.43Å
313S55Low59.9Low73 Ų7369.1 Ų69.151%0.5137%0.374SS..THydrogen-bonded Turntrans-63.6-5.2-17851.10000115.7F318 R324S313-F318 VanDerWaalsContact O-CD1 3.25Å; S313-F318 WeakPolarHBondContact O-CD1 3.41Å; S313-R324 PolarHBondContact O-NH2 3.1Å
314N54Low59.3Low127 Ų12771.6 Ų71.668%0.67938%0.38SS*.THydrogen-bonded Turntrans-123.311.5-179.3-72.1-23.9000113.6E312 R324E312-N314 PolarHBondContact O-N 2.72Å; N314-R324 PolarHBondContact OD1-NH2 3.41Å
315G61.1Low59.3Low27 Ų2769.3 Ų69.328%0.27837%0.366SS..SBendtrans-78.5151.4177.600000112.9E312 L317 F318 E319E312-G315 PolarHBondContact O-N 3.17Å; G315-L317 PolarHBondContact O-N 3.5Å; G315-L317 VanDerWaalsContact O-N 3.11Å; G315-F318 WeakPolarHBondContact O-CA 3.38Å; G315-F318 WeakPolarHBondContact O-CB 3.37Å; G315-F318 PolarHBondContact O-N 3.48Å; G315-E319 PolarHBondContact O-N 3.24Å
316R64.3Low60.1Low204 Ų20475.1 Ų75.177%0.7740%0.397SS*.Hα-helixtrans-52.4-32.2170.7-68.8-177.3-179.2176.20.4112.6A320R316-A320 VanDerWaalsContact O-CB 3.3Å; R316-A320 WeakPolarHBondContact O-CB 3.47Å; R316-A320 PolarHBondContact O-N 2.8Å
317L61.8Low61.5Low47 Ų4773.5 Ų73.525%0.24639%0.391CS..Hα-helixtrans-65.3-42.4175.2-174.366.2000111.4I128 G315 A320 L321I128-L317 HydrophobicContact CD1-CD1 3.81Å; I128-L317 HydrophobicContact CG1-CD1 4.49Å; I128-L317 HydrophobicContact CG2-CD1 3.94Å; G315-L317 PolarHBondContact O-N 3.5Å; G315-L317 VanDerWaalsContact O-N 3.11Å; L317-A320 PolarHBondContact O-N 3.08Å; L317-L321 HydrophobicContact CD1-CD1 3.86Å; L317-L321 HydrophobicContact CD1-CG 4.31Å; L317-L321 HydrophobicContact CG-CD1 3.79Å; L317-L321 WeakPolarHBondContact O-CB 3.18Å; L317-L321 VanDerWaalsContact O-CG 3.23Å; L317-L321 WeakPolarHBondContact O-CG 3.33Å; L317-L321 PolarHBondContact O-N 2.89Å
318F62Low63Low39 Ų3977.1 Ų77.117%0.17141%0.414CS..Hα-helixtrans-64.1-49.3178.5-177.7-92.2000111.3F308 E312 S313 G315 A320 L321 Y322F308-F318 HydrophobicContact CE1-CE2 4.43Å; E312-F318 WeakPolarHBondContact O-CB 3.43Å; S313-F318 VanDerWaalsContact O-CD1 3.25Å; S313-F318 WeakPolarHBondContact O-CD1 3.41Å; G315-F318 WeakPolarHBondContact O-CA 3.38Å; G315-F318 WeakPolarHBondContact O-CB 3.37Å; G315-F318 PolarHBondContact O-N 3.48Å; F318-A320 PolarHBondContact O-N 3.37Å; F318-L321 PolarHBondContact O-N 3.32Å; F318-Y322 AromaticContact CD2-CD2 3.84Å; F318-Y322 HydrophobicContact CD2-CD2 3.84Å; F318-Y322 HydrophobicContact CD2-CE2 4.38Å; F318-Y322 AromaticContact CE2-CD2 3.71Å; F318-Y322 HydrophobicContact CE2-CD2 3.71Å; F318-Y322 HydrophobicContact CE2-CE2 4.28Å; F318-Y322 HydrophobicContact CE2-CG 4.35Å; F318-Y322 HydrophobicContact CG-CD2 4.41Å; F318-Y322 HydrophobicContact CZ-CD2 4.19Å; F318-Y322 HydrophobicContact CZ-CG 4.41Å; F318-Y322 WeakPolarHBondContact O-CA 3.27Å; F318-Y322 PolarHBondContact O-N 2.71Å
319E61.6Low64.9Low71 Ų7173.9 Ų73.933%0.33241%0.406SS..Hα-helixtrans-64.8-23.5-179.9-69.7-172.6161.200113.8R127 G315 Y322 P323 R324R127-E319 PolarHBondContact NH2-O 2.98Å; G315-E319 PolarHBondContact O-N 3.24Å; E319-Y322 CarbonylContact O-C 3.55Å; E319-P323 WeakPolarHBondContact O-CA 3.46Å; E319-R324 IonicContact OE1-CZ 3.85Å; E319-R324 IonicContact OE1-NE 3.87Å
320A60.2Low67Low0 Ų070 Ų700%038%0.377CS..Hα-helixtrans-93.8-16.1179.800000114.1H124 R127 I128 R316 L317 F318H124-A320 HydrophobicContact CB-CB 4.14Å; H124-A320 WeakPolarHBondContact CB-O 3.37Å; H124-A320 VanDerWaalsContact ND1-CA 3.31Å; H124-A320 WeakPolarHBondContact ND1-CA 3.13Å; H124-A320 PolarHBondContact ND1-O 3.49Å; H124-A320 VanDerWaalsContact ND1-O 3.15Å; R127-A320 VanDerWaalsContact NH2-CA 3.33Å; I128-A320 HydrophobicContact CD1-CB 3.19Å; I128-A320 HydrophobicContact CG1-CB 3.44Å; I128-A320 VanDerWaalsContact CG1-CB 3.44Å; R316-A320 VanDerWaalsContact O-CB 3.3Å; R316-A320 WeakPolarHBondContact O-CB 3.47Å; R316-A320 PolarHBondContact O-N 2.8Å; L317-A320 PolarHBondContact O-N 3.08Å; F318-A320 PolarHBondContact O-N 3.37Å
321L64.2Low69.2Low0 Ų060.8 Ų60.80%034%0.339CS..Hα-helixtrans-95.4-27.7169.7-63.3170.5000111.9H135 Y139 S307 L317 F318H135-L321 HydrophobicContact CB-CD2 4.46Å; H135-L321 WeakPolarHBondContact CD2-CD1 3.22Å; H135-L321 WeakPolarHBondContact NE2-CD1 3.38Å; Y139-L321 HydrophobicContact CE2-CD2 3.71Å; Y139-L321 VanDerWaalsContact OH-CD2 3.24Å; Y139-L321 WeakPolarHBondContact OH-CD2 3.37Å; S307-L321 WeakPolarHBondContact OG-CD1 3.44Å; L317-L321 HydrophobicContact CD1-CD1 3.86Å; L317-L321 HydrophobicContact CD1-CG 4.31Å; L317-L321 HydrophobicContact CG-CD1 3.79Å; L317-L321 WeakPolarHBondContact O-CB 3.18Å; L317-L321 VanDerWaalsContact O-CG 3.23Å; L317-L321 WeakPolarHBondContact O-CG 3.33Å; L317-L321 PolarHBondContact O-N 2.89Å; F318-L321 PolarHBondContact O-N 3.32Å
322Y67.1Low71Confident17 Ų1763.3 Ų63.37%0.06733%0.326CS..SBendtrans-126.481.3173-55.3-80.1000108.4P305 F308 F318 E319 R324P305-Y322 WeakPolarHBondContact CA-OH 3.18Å; P305-Y322 WeakPolarHBondContact CB-OH 3.34Å; P305-Y322 WeakPolarHBondContact CD-OH 3.28Å; P305-Y322 HydrophobicContact CG-CE1 3.92Å; P305-Y322 WeakPolarHBondContact CG-OH 3.5Å; P305-Y322 PolarHBondContact O-OH 2.88Å; F308-Y322 HydrophobicContact CD2-CE2 4.33Å; F308-Y322 AromaticContact CD2-CZ 3.82Å; F308-Y322 VanDerWaalsContact CD2-OH 3.22Å; F308-Y322 WeakPolarHBondContact CD2-OH 3.48Å; F308-Y322 HydrophobicContact CE2-CD1 4.34Å; F308-Y322 AromaticContact CE2-CE1 3.39Å; F308-Y322 HydrophobicContact CE2-CE1 3.39Å; F308-Y322 AromaticContact CE2-CE2 3.77Å; F308-Y322 HydrophobicContact CE2-CE2 3.77Å; F308-Y322 AromaticContact CE2-CZ 3.05Å; F308-Y322 WeakPolarHBondContact CE2-OH 3.36Å; F308-Y322 HydrophobicContact CZ-CD1 4.12Å; F308-Y322 HydrophobicContact CZ-CD2 4.49Å; F308-Y322 AromaticContact CZ-CE1 3.59Å; F308-Y322 HydrophobicContact CZ-CE1 3.59Å; F308-Y322 HydrophobicContact CZ-CE2 4.01Å; F308-Y322 AromaticContact CZ-CZ 3.54Å; F318-Y322 AromaticContact CD2-CD2 3.84Å; F318-Y322 HydrophobicContact CD2-CD2 3.84Å; F318-Y322 HydrophobicContact CD2-CE2 4.38Å; F318-Y322 AromaticContact CE2-CD2 3.71Å; F318-Y322 HydrophobicContact CE2-CD2 3.71Å; F318-Y322 HydrophobicContact CE2-CE2 4.28Å; F318-Y322 HydrophobicContact CE2-CG 4.35Å; F318-Y322 HydrophobicContact CG-CD2 4.41Å; F318-Y322 HydrophobicContact CZ-CD2 4.19Å; F318-Y322 HydrophobicContact CZ-CG 4.41Å; F318-Y322 WeakPolarHBondContact O-CA 3.27Å; F318-Y322 PolarHBondContact O-N 2.71Å; E319-Y322 CarbonylContact O-C 3.55Å; Y322-R324 PolarHBondContact O-N 3.17Å
323P68.9Low72.5Confident5 Ų558.5 Ų58.53%0.03230%0.304CS..  trans-48.8116.9169.514.7-26.4000108.8I167 E319 V325 H333I167-P323 HydrophobicContact CG2-CG 4.19Å; E319-P323 WeakPolarHBondContact O-CA 3.46Å; P323-V325 WeakPolarHBondContact O-CG2 3.43Å; P323-V325 PolarHBondContact O-N 2.75Å; P323-H333 VanDerWaalsContact CB-CD2 3.41Å; P323-H333 WeakPolarHBondContact CB-CD2 3.31Å; P323-H333 VanDerWaalsContact CB-CE1 3.43Å; P323-H333 WeakPolarHBondContact CB-CE1 3.34Å; P323-H333 WeakPolarHBondContact CB-NE2 3.3Å
324R73.9Confident73.7Confident108 Ų10856.8 Ų56.841%0.40829%0.287SS..  trans-64.6119.3173.8-69.3-176.9180-173.61.1107.4S313 N314 E319 Y322 R332 H333S313-R324 PolarHBondContact O-NH2 3.1Å; N314-R324 PolarHBondContact OD1-NH2 3.41Å; E319-R324 IonicContact OE1-CZ 3.85Å; E319-R324 IonicContact OE1-NE 3.87Å; Y322-R324 PolarHBondContact O-N 3.17Å; R324-R332 WeakPolarHBondContact O-CD 3.34Å; R324-H333 PolarHBondContact O-NE2 2.74Å
325V77.7Confident74.6Confident44 Ų4456 Ų5627%0.26729%0.287SS..  trans-114.2117.2-178.6172.20000107.1S117 P323 G327 D330S117-V325 WeakPolarHBondContact OG-CG1 3.32Å; S117-V325 WeakPolarHBondContact OG-CG2 3.31Å; P323-V325 WeakPolarHBondContact O-CG2 3.43Å; P323-V325 PolarHBondContact O-N 2.75Å; V325-G327 VanDerWaalsContact C-N 3.31Å; V325-G327 WeakPolarHBondContact CG1-O 3.13Å; V325-D330 VanDerWaalsContact CA-OD2 3.27Å; V325-D330 WeakPolarHBondContact CA-OD2 3.44Å; V325-D330 HydrophobicContact CG1-CB 3.93Å
326D83.3Confident74.7Confident125 Ų12563.6 Ų63.667%0.66832%0.315SS*.SBendtrans-84.2-6.9-176.4-74.311.9000113D330 R332D326-D330 PolarHBondContact N-OD2 2.88Å; D326-R332 IonicContact OD1-CZ 2.71Å; D326-R332 IonicContact OD1-NH1 3.48Å; D326-R332 PolarHBondContact OD1-NH1 2.85Å; D326-R332 IonicContact OD1-NH2 3.8Å; D326-R332 PolarHBondContact OD1-NH2 2.86Å; D326-R332 IonicContact OD2-CZ 2.99Å; D326-R332 VanDerWaalsContact OD2-CZ 3.29Å; D326-R332 IonicContact OD2-NH1 2.63Å; D326-R332 PolarHBondContact OD2-NH1 3.36Å; D326-R332 IonicContact OD2-NH2 2.82Å; D326-R332 PolarHBondContact OD2-NH2 2.84Å
327G86.1Confident74.5Confident24 Ų2459.9 Ų59.925%0.24731%0.306CS..SBendtrans176.9173.7177.200000113.2V325 A329 D330V325-G327 VanDerWaalsContact C-N 3.31Å; V325-G327 WeakPolarHBondContact CG1-O 3.13Å; G327-A329 PolarHBondContact O-N 3.08Å; G327-A329 VanDerWaalsContact O-N 3.1Å; G327-D330 VanDerWaalsContact O-CB 3.31Å; G327-D330 WeakPolarHBondContact O-CB 3.22Å; G327-D330 PolarHBondContact O-N 3.23Å; G327-D330 VanDerWaalsContact O-N 3.07Å
328P85.3Confident74.7Confident93 Ų9360.4 Ų60.460%0.60431%0.312SS*.THydrogen-bonded Turntrans-66.3-14.8-17528-36.6000114.2Y61 F115Y61-P328 HydrophobicContact CD2-CB 3.78Å; Y61-P328 HydrophobicContact CD2-CG 4.03Å; Y61-P328 HydrophobicContact CE2-CB 4.05Å; Y61-P328 HydrophobicContact CE2-CG 3.75Å; F115-P328 WeakPolarHBondContact CD1-O 3.31Å; F115-P328 WeakPolarHBondContact CE1-O 3.23Å
329A88.7Confident75.1Confident33 Ų3367 Ų6727%0.27334%0.343SS..THydrogen-bonded Turntrans-106.46.4178.100000113.2L52 Y61 G327 T331L52-A329 HydrophobicContact CD2-CB 4.18Å; Y61-A329 HydrophobicContact CD1-CB 3.78Å; Y61-A329 HydrophobicContact CE1-CB 3.42Å; Y61-A329 VanDerWaalsContact CE1-CB 3.42Å; Y61-A329 HydrophobicContact CE2-CB 4.21Å; Y61-A329 HydrophobicContact CG-CB 4.31Å; G327-A329 PolarHBondContact O-N 3.08Å; G327-A329 VanDerWaalsContact O-N 3.1Å; A329-T331 PolarHBondContact O-N 3.32Å
330D88.8Confident75.8Confident21 Ų2167.7 Ų67.711%0.11235%0.346CS..  trans-67.3130.8-174.6-174.33000111F115 V325 D326 G327 R332F115-D330 VanDerWaalsContact CZ-O 3.3Å; F115-D330 WeakPolarHBondContact CZ-O 3.4Å; V325-D330 VanDerWaalsContact CA-OD2 3.27Å; V325-D330 WeakPolarHBondContact CA-OD2 3.44Å; V325-D330 HydrophobicContact CG1-CB 3.93Å; D326-D330 PolarHBondContact N-OD2 2.88Å; G327-D330 VanDerWaalsContact O-CB 3.31Å; G327-D330 WeakPolarHBondContact O-CB 3.22Å; G327-D330 PolarHBondContact O-N 3.23Å; G327-D330 VanDerWaalsContact O-N 3.07Å; D330-R332 VanDerWaalsContact CG-NE 3.31Å; D330-R332 WeakPolarHBondContact OD1-CB 3.31Å; D330-R332 IonicContact OD1-CZ 3.17Å; D330-R332 PolarHBondContact OD1-N 3.05Å; D330-R332 IonicContact OD1-NE 3.91Å; D330-R332 PolarHBondContact OD1-NE 3.37Å; D330-R332 VanDerWaalsContact OD1-NE 3.08Å; D330-R332 IonicContact OD1-NH2 3.01Å; D330-R332 IonicContact OD2-CZ 3.77Å; D330-R332 IonicContact OD2-NE 2.81Å; D330-R332 PolarHBondContact OD2-NE 2.86Å; D330-R332 IonicContact OD2-NH1 3.34Å; D330-R332 IonicContact OD2-NH2 3.74Å; D330-R332 PolarHBondContact OD2-NH2 3.42Å
331T88.5Confident76.8Confident20 Ų2072.2 Ų72.212%0.12338%0.375CS..  trans-125.513.2-174.248.60000113.1K40 L42 L52 F115 A329 H333 F334K40-T331 HydrophobicContact CD-CG2 3.87Å; K40-T331 WeakPolarHBondContact CD-OG1 3.22Å; K40-T331 VanDerWaalsContact CE-OG1 3.29Å; K40-T331 WeakPolarHBondContact CE-OG1 3.5Å; K40-T331 HydrophobicContact CG-CG2 4.48Å; K40-T331 PolarHBondContact NZ-OG1 3.14Å; L42-T331 HydrophobicContact CD2-CG2 3.39Å; L52-T331 HydrophobicContact CD2-CG2 3.86Å; F115-T331 HydrophobicContact CE2-CG2 4.37Å; F115-T331 HydrophobicContact CZ-CG2 3.83Å; A329-T331 PolarHBondContact O-N 3.32Å; T331-H333 PolarHBondContact O-N 3.31Å; T331-H333 VanDerWaalsContact O-N 3.08Å; T331-F334 HydrophobicContact CG2-CD2 4.36Å; T331-F334 WeakPolarHBondContact O-CB 2.94Å; T331-F334 PolarHBondContact O-N 3.28Å
332R87.2Confident77.6Confident123 Ų12374.6 Ų74.646%0.46439%0.39SS..THydrogen-bonded Turntrans-61-20.1-177.174.6-175.361.9-172.9-23.1115.3R324 D326 D330 F334R324-R332 WeakPolarHBondContact O-CD 3.34Å; D326-R332 IonicContact OD1-CZ 2.71Å; D326-R332 IonicContact OD1-NH1 3.48Å; D326-R332 PolarHBondContact OD1-NH1 2.85Å; D326-R332 IonicContact OD1-NH2 3.8Å; D326-R332 PolarHBondContact OD1-NH2 2.86Å; D326-R332 IonicContact OD2-CZ 2.99Å; D326-R332 VanDerWaalsContact OD2-CZ 3.29Å; D326-R332 IonicContact OD2-NH1 2.63Å; D326-R332 PolarHBondContact OD2-NH1 3.36Å; D326-R332 IonicContact OD2-NH2 2.82Å; D326-R332 PolarHBondContact OD2-NH2 2.84Å; D330-R332 VanDerWaalsContact CG-NE 3.31Å; D330-R332 WeakPolarHBondContact OD1-CB 3.31Å; D330-R332 IonicContact OD1-CZ 3.17Å; D330-R332 PolarHBondContact OD1-N 3.05Å; D330-R332 IonicContact OD1-NE 3.91Å; D330-R332 PolarHBondContact OD1-NE 3.37Å; D330-R332 VanDerWaalsContact OD1-NE 3.08Å; D330-R332 IonicContact OD1-NH2 3.01Å; D330-R332 IonicContact OD2-CZ 3.77Å; D330-R332 IonicContact OD2-NE 2.81Å; D330-R332 PolarHBondContact OD2-NE 2.86Å; D330-R332 IonicContact OD2-NH1 3.34Å; D330-R332 IonicContact OD2-NH2 3.74Å; D330-R332 PolarHBondContact OD2-NH2 3.42Å; R332-F334 VanDerWaalsContact C-N 3.35Å
333H82.8Confident78.3Confident28 Ų2880.5 Ų80.513%0.1342%0.418CS..THydrogen-bonded Turntrans-92.71.3-179.7-56.5-68.4000112.8S117 G118 P323 R324 T331S117-H333 PolarHBondContact O-CD2 2.87Å; G118-H333 WeakPolarHBondContact O-CB 3.32Å; P323-H333 VanDerWaalsContact CB-CD2 3.41Å; P323-H333 WeakPolarHBondContact CB-CD2 3.31Å; P323-H333 VanDerWaalsContact CB-CE1 3.43Å; P323-H333 WeakPolarHBondContact CB-CE1 3.34Å; P323-H333 WeakPolarHBondContact CB-NE2 3.3Å; R324-H333 PolarHBondContact O-NE2 2.74Å; T331-H333 PolarHBondContact O-N 3.31Å; T331-H333 VanDerWaalsContact O-N 3.08Å
334F81.3Confident79Confident37 Ų3782.9 Ų82.916%0.16243%0.428CS..SBendtrans-92.2146.5170.9-66.8-97.7000109.1L42 F115 I116 T331 R332L42-F334 HydrophobicContact CB-CD1 4.08Å; L42-F334 HydrophobicContact CB-CE1 4.3Å; L42-F334 HydrophobicContact CD1-CE1 4.39Å; L42-F334 HydrophobicContact CD2-CD1 4.18Å; L42-F334 HydrophobicContact CD2-CD2 4.26Å; L42-F334 HydrophobicContact CD2-CE1 4.36Å; L42-F334 HydrophobicContact CD2-CE2 4.44Å; L42-F334 HydrophobicContact CD2-CG 4.12Å; L42-F334 HydrophobicContact CD2-CZ 4.48Å; F115-F334 HydrophobicContact CD2-CZ 4.42Å; F115-F334 AromaticContact CE2-CE2 3.58Å; F115-F334 HydrophobicContact CE2-CE2 3.58Å; F115-F334 AromaticContact CE2-CZ 3.56Å; F115-F334 HydrophobicContact CE2-CZ 3.56Å; F115-F334 AromaticContact CZ-CE2 3.79Å; F115-F334 HydrophobicContact CZ-CE2 3.79Å; F115-F334 HydrophobicContact CZ-CZ 4.24Å; I116-F334 VanDerWaalsContact O-CZ 3.27Å; I116-F334 WeakPolarHBondContact O-CZ 3.41Å; T331-F334 HydrophobicContact CG2-CD2 4.36Å; T331-F334 WeakPolarHBondContact O-CB 2.94Å; T331-F334 PolarHBondContact O-N 3.28Å; R332-F334 VanDerWaalsContact C-N 3.35Å
335V72Confident79.5Confident110 Ų11084.1 Ų84.167%0.66745%0.448SS*.PPolyproline II helixtrans-56.4143.2179.6-177.90000109.9
336E62.8Low80.2Confident186 Ų18685.3 Ų85.387%0.86945%0.452SS*.SBendtrans-49.5148.1-175.4-74.6-177.3168.600113.7V338E336-V338 PolarHBondContact O-N 3.46Å
337E60.5Low80.7Confident126 Ų12680.3 Ų80.359%0.58943%0.428SS*.PPolyproline II helixtrans-64.2122.8-148.4-58.5-178.2143.300114.5K40 Q339K40-E337 IonicContact NZ-OE1 2.78Å; K40-E337 PolarHBondContact NZ-OE1 3.27Å; E337-Q339 PolarHBondContact O-N 3.21Å; E337-Q339 VanDerWaalsContact O-N 3.09Å
338V66.6Low80.9Confident59 Ų5984 Ų8436%0.35846%0.455SS..  trans-71103.7159.1-177.60000107.4T41 T44 E336 E340T41-V338 HydrophobicContact CG2-CB 4.16Å; T44-V338 HydrophobicContact CG2-CB 4.36Å; T44-V338 HydrophobicContact CG2-CG1 3.91Å; T44-V338 HydrophobicContact CG2-CG2 4.21Å; E336-V338 PolarHBondContact O-N 3.46Å; V338-E340 HydrophobicContact CG1-CB 4.18Å; V338-E340 HydrophobicContact CG1-CG 3.73Å; V338-E340 PolarHBondContact O-N 3.29Å
339Q70.5Confident81.2Confident178 Ų17884.2 Ų84.283%0.83246%0.455SS*.  trans-72.863.9173.8-66.5-173.5-0.200110.8E337E337-Q339 PolarHBondContact O-N 3.21Å; E337-Q339 VanDerWaalsContact O-N 3.09Å
340E76.2Confident81.4Confident84 Ų8486.7 Ų86.739%0.39347%0.469SS..  trans-94141.8167.2-86.9-174.7-166.300110.3R49 V338 T342R49-E340 WeakPolarHBondContact CD-OE2 3.44Å; R49-E340 IonicContact CZ-OE2 2.82Å; R49-E340 IonicContact NE-OE2 2.7Å; R49-E340 IonicContact NH1-OE2 3.21Å; R49-E340 PolarHBondContact NH1-OE2 2.77Å; V338-E340 HydrophobicContact CG1-CB 4.18Å; V338-E340 HydrophobicContact CG1-CG 3.73Å; V338-E340 PolarHBondContact O-N 3.29Å; E340-T342 PolarHBondContact O-N 3.29Å
341P80.2Confident81.5Confident95 Ų9587.9 Ų87.962%0.61747%0.474SS*.  trans-55.2138.4175-23.833.1000111.6R49 E343R49-P341 VanDerWaalsContact CZ-O 3.27Å; R49-P341 PolarHBondContact NH1-O 2.99Å; R49-P341 PolarHBondContact NH2-O 3.33Å; P341-E343 PolarHBondContact O-N 3.39Å
342T80.9Confident81.7Confident51 Ų5190 Ų9031%0.31348%0.484SS..SBendtrans-69.5-22.517653.90000112.3R38 I39 R49 M51 E340R38-T342 WeakPolarHBondContact CD-O 3.32Å; R38-T342 PolarHBondContact NE-O 3.48Å; I39-T342 WeakPolarHBondContact O-CG2 3.31Å; R49-T342 PolarHBondContact NH2-O 3.03Å; M51-T342 HydrophobicContact CE-CG2 3.87Å; E340-T342 PolarHBondContact O-N 3.29Å
343E81.7Confident81.9Confident141 Ų14187.4 Ų87.466%0.65948%0.477SS*.  trans-92.1147.4172.2-61.2-169.8164.500111.3P341P341-E343 PolarHBondContact O-N 3.39Å
344F83.5Confident82.4Confident54 Ų5494.8 Ų94.824%0.23751%0.512CS..  trans-148.2153.4176.551.9-86.9000108.8L33 I66 N108 Y110 I346L33-F344 HydrophobicContact CD1-CZ 4.38Å; L33-F344 HydrophobicContact CD2-CE2 4.31Å; L33-F344 HydrophobicContact CD2-CZ 3.86Å; I66-F344 HydrophobicContact CD1-CE1 3.82Å; I66-F344 HydrophobicContact CD1-CZ 4.11Å; I66-F344 HydrophobicContact CG2-CZ 4.3Å; N108-F344 VanDerWaalsContact ND2-CE2 3.33Å; N108-F344 WeakPolarHBondContact ND2-CE2 3.08Å; Y110-F344 HydrophobicContact CE1-CE2 4.45Å; Y110-F344 AromaticContact CE1-CZ 3.92Å; Y110-F344 HydrophobicContact CE1-CZ 3.92Å; Y110-F344 WeakPolarHBondContact OH-CE2 3.35Å; Y110-F344 VanDerWaalsContact OH-CZ 3.32Å; Y110-F344 WeakPolarHBondContact OH-CZ 3.37Å; F344-I346 HydrophobicContact CD2-CG1 4.36Å; F344-I346 HydrophobicContact CE2-CD1 4.49Å; F344-I346 HydrophobicContact CE2-CG1 4.12Å
345V85.6Confident83.1Confident135 Ų13596.8 Ų96.882%0.81852%0.523SS*.PPolyproline II helixtrans-78.8126.5-175.5-178.50000109.8
346I92Very high84.2Confident69 Ų6991.5 Ų91.535%0.35449%0.492SS..PPolyproline II helixtrans-98130.9169.7-60.5166.5000107.5L33 D105 N106 F344L33-I346 HydrophobicContact CD2-CD1 3.74Å; D105-I346 HydrophobicContact CB-CG2 4.17Å; D105-I346 WeakPolarHBondContact OD2-CD1 3.4Å; D105-I346 WeakPolarHBondContact OD2-CG1 3.41Å; N106-I346 HydrophobicContact CB-CG2 3.97Å; F344-I346 HydrophobicContact CD2-CG1 4.36Å; F344-I346 HydrophobicContact CE2-CD1 4.49Å; F344-I346 HydrophobicContact CE2-CG1 4.12Å
347A92.7Very high85.7Confident20 Ų2086.8 Ų86.817%0.16548%0.475CS..PPolyproline II helixtrans-61.1146.9179.400000111.6N106 S107 T349 Q351N106-A347 HydrophobicContact CB-CB 4.33Å; N106-A347 WeakPolarHBondContact CB-O 3.29Å; N106-A347 PolarHBondContact ND2-O 3.3Å; S107-A347 VanDerWaalsContact OG-CB 3.23Å; S107-A347 WeakPolarHBondContact OG-CB 3.47Å; S107-A347 PolarHBondContact OG-N 3.41Å; A347-T349 VanDerWaalsContact C-N 3.27Å; A347-T349 PolarHBondContact O-N 3.32Å; A347-Q351 HydrophobicContact CB-CG 4.07Å; A347-Q351 VanDerWaalsContact CB-NE2 3.29Å
348A91.9Very high87.2Confident100 Ų10087 Ų8783%0.82648%0.476SS*.SBendtrans-68.9-25.8178.600000113.2N106N106-A348 PolarHBondContact ND2-O 2.64Å
349T91Very high88.5Confident98 Ų9884.2 Ų84.260%0.60146%0.459SS*.SBendtrans-118.5145.4-179.556.20000111A347 Q351A347-T349 VanDerWaalsContact C-N 3.27Å; A347-T349 PolarHBondContact O-N 3.32Å; T349-Q351 PolarHBondContact O-N 2.96Å
350P92.2Very high89.4Confident85 Ų8579.5 Ų79.555%0.55244%0.44SS*.  trans-54.8128.9176.6-24.732.8000112.2N106 E353N106-P350 WeakPolarHBondContact OD1-CA 3.4Å; N106-P350 WeakPolarHBondContact OD1-CG 3.34Å; P350-E353 HydrophobicContact CB-CB 4.37Å
351Q91.9Very high90.1Very high47 Ų4779.3 Ų79.322%0.2244%0.443CS..  trans-104.6135.3174.2-55.5-179.7-17.900109.6K69 N106 A347 T349 E353K69-Q351 VanDerWaalsContact CD-O 3.26Å; K69-Q351 WeakPolarHBondContact CD-O 3.42Å; K69-Q351 PolarHBondContact NZ-O 3.45Å; N106-Q351 WeakPolarHBondContact O-CB 3.4Å; N106-Q351 WeakPolarHBondContact O-CG 3.21Å; N106-Q351 PolarHBondContact O-N 2.85Å; A347-Q351 HydrophobicContact CB-CG 4.07Å; A347-Q351 VanDerWaalsContact CB-NE2 3.29Å; T349-Q351 PolarHBondContact O-N 2.96Å; Q351-E353 PolarHBondContact O-N 3.1Å
352L92.5Very high90.7Very high63 Ų6378.4 Ų78.433%0.3343%0.433SS..SBendtrans55.829.1168.3-57.3162000113.8K69 Q70 V73 E354 L355 F356K69-L352 HydrophobicContact CB-CD1 3.96Å; Q70-L352 HydrophobicContact CB-CD1 4.45Å; Q70-L352 HydrophobicContact CG-CD1 4.07Å; V73-L352 HydrophobicContact CB-CD1 4.31Å; V73-L352 HydrophobicContact CG2-CD1 3.79Å; V73-L352 HydrophobicContact CG2-CD2 4.36Å; L352-E354 VanDerWaalsContact C-N 3.29Å; L352-E354 PolarHBondContact O-N 2.98Å; L352-L355 HydrophobicContact CB-CD1 4.38Å; L352-L355 HydrophobicContact CD2-CD1 4.02Å; L352-L355 PolarHBondContact O-N 3.35Å; L352-F356 HydrophobicContact CB-CD2 4.24Å; L352-F356 HydrophobicContact CB-CE2 4.13Å; L352-F356 WeakPolarHBondContact O-CD2 3.42Å
353E90.9Very high91.2Very high70 Ų7080 Ų8033%0.32744%0.44SS..G310 helixtrans-60.7-38.9-169.6-16754.7-147.200112.4K69 K104 P350 Q351 L355 F356 V357K69-E353 IonicContact NZ-OE2 3.79Å; K69-E353 PolarHBondContact NZ-OE2 2.98Å; K104-E353 VanDerWaalsContact CE-OE1 3.31Å; K104-E353 WeakPolarHBondContact CE-OE1 3.22Å; K104-E353 IonicContact NZ-OE1 2.71Å; K104-E353 PolarHBondContact NZ-OE1 3.06Å; P350-E353 HydrophobicContact CB-CB 4.37Å; Q351-E353 PolarHBondContact O-N 3.1Å; E353-L355 PolarHBondContact O-N 3.48Å; E353-L355 VanDerWaalsContact O-N 3.17Å; E353-F356 CarbonylContact O-C 3.52Å; E353-F356 PolarHBondContact O-N 3.03Å; E353-V357 WeakPolarHBondContact O-CG2 3.44Å; E353-V357 PolarHBondContact O-N 3.14Å; E353-V357 VanDerWaalsContact O-N 3.1Å
354E94Very high91.8Very high183 Ų18376.2 Ų76.286%0.85543%0.427SS*.G310 helixtrans-57.6-28.9177.2-62.3178.4-176.300113.4L352L352-E354 VanDerWaalsContact C-N 3.29Å; L352-E354 PolarHBondContact O-N 2.98Å
355L95.6Very high92.4Very high78 Ų7877.7 Ų77.741%0.40844%0.439SS..G310 helixtrans-83.8-19.9-179.4-63.7177.8000113.1V73 V78 L352 E353V73-L355 HydrophobicContact CG1-CD1 4.33Å; V73-L355 HydrophobicContact CG2-CD1 3.56Å; V78-L355 HydrophobicContact CG1-CB 4.44Å; L352-L355 HydrophobicContact CB-CD1 4.38Å; L352-L355 HydrophobicContact CD2-CD1 4.02Å; L352-L355 PolarHBondContact O-N 3.35Å; E353-L355 PolarHBondContact O-N 3.48Å; E353-L355 VanDerWaalsContact O-N 3.17Å
356F95.3Very high92.9Very high0 Ų073.6 Ų73.60%041%0.412CS..SBendtrans-123.220.9-173.7-59.6-70000112.3K69 V72 V73 V78 L82 K104 L109 L352 E353 E358 F359K69-F356 HydrophobicContact CB-CD2 4.27Å; K69-F356 HydrophobicContact CB-CE2 3.78Å; K69-F356 HydrophobicContact CD-CD2 4.01Å; K69-F356 HydrophobicContact CD-CE2 4.38Å; K69-F356 HydrophobicContact CG-CD2 3.86Å; K69-F356 HydrophobicContact CG-CE2 3.83Å; V72-F356 HydrophobicContact CB-CZ 4.17Å; V72-F356 HydrophobicContact CG1-CE1 3.96Å; V72-F356 HydrophobicContact CG1-CZ 3.76Å; V73-F356 HydrophobicContact CG2-CE2 4.02Å; V73-F356 HydrophobicContact CG2-CZ 4.02Å; V78-F356 HydrophobicContact CB-CE1 4.48Å; V78-F356 HydrophobicContact CG1-CE1 3.99Å; V78-F356 HydrophobicContact CG1-CZ 4.46Å; V78-F356 HydrophobicContact CG2-CE1 4.31Å; V78-F356 HydrophobicContact CG2-CZ 4.07Å; L82-F356 HydrophobicContact CD2-CD1 4.29Å; K104-F356 PolarHBondContact NZ-O 3.45Å; L109-F356 HydrophobicContact CD1-CD1 3.54Å; L109-F356 HydrophobicContact CD1-CE1 3.55Å; L109-F356 HydrophobicContact CD1-CG 4.12Å; L109-F356 HydrophobicContact CD1-CZ 4.12Å; L109-F356 HydrophobicContact CD2-CB 3.98Å; L109-F356 HydrophobicContact CD2-CD1 4.15Å; L109-F356 HydrophobicContact CD2-CD2 4.46Å; L109-F356 HydrophobicContact CD2-CG 3.95Å; L109-F356 HydrophobicContact CG-CD1 4.44Å; L352-F356 HydrophobicContact CB-CD2 4.24Å; L352-F356 HydrophobicContact CB-CE2 4.13Å; L352-F356 WeakPolarHBondContact O-CD2 3.42Å; E353-F356 CarbonylContact O-C 3.52Å; E353-F356 PolarHBondContact O-N 3.03Å; F356-E358 PolarHBondContact O-N 2.95Å; F356-F359 HydrophobicContact CB-CB 4.25Å; F356-F359 WeakPolarHBondContact O-CB 2.97Å; F356-F359 PolarHBondContact O-N 2.84Å; F356-F359 VanDerWaalsContact O-N 3.08Å
357V93.5Very high92.9Very high87 Ų8773.9 Ų73.953%0.52742%0.417SS..THydrogen-bonded Turntrans-53.2-41.1178.8178.90000111.4K104 E353K104-V357 PolarHBondContact NZ-O 2.93Å; E353-V357 WeakPolarHBondContact O-CG2 3.44Å; E353-V357 PolarHBondContact O-N 3.14Å; E353-V357 VanDerWaalsContact O-N 3.1Å
358E91.8Very high93Very high129 Ų12978.4 Ų78.460%0.60344%0.438SS*.THydrogen-bonded Turntrans-81.1-9.8-177.4-62.3-171170.500114.9Q28 F356Q28-E358 PolarHBondContact NE2-O 3.34Å; F356-E358 PolarHBondContact O-N 2.95Å
359F94.9Very high93.1Very high1 Ų176.5 Ų76.50%0.00440%0.403CS..  trans-68.60176.2-167.5-77.3000110T81 L82 K85 F103 K104 L109 M111 F356T81-F359 HydrophobicContact CG2-CD2 4.48Å; T81-F359 HydrophobicContact CG2-CE2 4.13Å; L82-F359 HydrophobicContact CD2-CB 3.86Å; L82-F359 HydrophobicContact CD2-CD2 4.26Å; K85-F359 HydrophobicContact CB-CD2 4.2Å; K85-F359 HydrophobicContact CB-CE2 3.78Å; K85-F359 HydrophobicContact CB-CZ 4.31Å; K85-F359 WeakPolarHBondContact CE-O 3.43Å; K85-F359 HydrophobicContact CG-CD2 4.25Å; K85-F359 HydrophobicContact CG-CE1 4.42Å; K85-F359 HydrophobicContact CG-CE2 3.88Å; K85-F359 HydrophobicContact CG-CZ 3.97Å; K85-F359 PolarHBondContact NZ-O 3.21Å; F103-F359 VanDerWaalsContact O-CE1 3.31Å; F103-F359 WeakPolarHBondContact O-CE1 3.37Å; K104-F359 HydrophobicContact CB-CD1 4.35Å; K104-F359 WeakPolarHBondContact CE-OXT 3.45Å; L109-F359 HydrophobicContact CB-CD1 4.34Å; L109-F359 HydrophobicContact CB-CD2 4.24Å; L109-F359 HydrophobicContact CB-CE1 3.92Å; L109-F359 HydrophobicContact CB-CE2 3.8Å; L109-F359 HydrophobicContact CB-CZ 3.62Å; L109-F359 HydrophobicContact CD1-CD2 3.89Å; L109-F359 HydrophobicContact CD1-CE2 4Å; L109-F359 HydrophobicContact CD1-CG 4.47Å; L109-F359 HydrophobicContact CD2-CB 4.3Å; L109-F359 HydrophobicContact CD2-CD1 4.05Å; L109-F359 HydrophobicContact CD2-CD2 4.16Å; L109-F359 HydrophobicContact CD2-CE1 4.46Å; L109-F359 HydrophobicContact CD2-CG 3.89Å; L109-F359 HydrophobicContact CG-CD2 4.32Å; L109-F359 HydrophobicContact CG-CE2 4.33Å; M111-F359 HydrophobicContact CG-CE2 4.42Å; M111-F359 HydrophobicContact CG-CZ 3.8Å; F356-F359 HydrophobicContact CB-CB 4.25Å; F356-F359 WeakPolarHBondContact O-CB 2.97Å; F356-F359 PolarHBondContact O-N 2.84Å; F356-F359 VanDerWaalsContact O-N 3.08Å

Retrieved 359 of 359 residues in 2156.5 ms (Link to these results)

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