A0A077YXK6_TRITR Loading...

Octanoyl-[acyl-carrier-protein]:protein N-octanoyltransferase LIPT2, mitochondrial

Catalyzes the transfer of endogenously produced octanoic acid from octanoyl-acyl-carrier-protein onto the lipoyl domains of lipoate-dependent enzymes. Lipoyl-ACP can also act as a substrate although octanoyl-ACP is likely to be the physiological substrate.

AlphaFold DB , UniProt , Accession A0A077YXK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M36.2Very low75.4Confident229 Ų229103.3 Ų103.3100%1.12853%0.533SS*.  0108.60-87.3165.4150.900108F3M1-F3 PolarHBondContact O-N 3.48Å
2K41.7Very low77.3Confident204 Ų20498.6 Ų98.689%0.88751%0.506SS*.  trans-73.7114.5160.6-74.7-176.8178.1-177.40104.8L4K2-L4 VanDerWaalsContact C-N 3.33Å; K2-L4 PolarHBondContact O-N 3.09Å
3F47Very low78.9Confident198 Ų19892.7 Ų92.787%0.86847%0.473SS*.  trans-58.6107.8161.3-76.6-92.2000105M1 S5M1-F3 PolarHBondContact O-N 3.48Å; F3-S5 VanDerWaalsContact C-N 3.34Å; F3-S5 PolarHBondContact O-N 3.16Å
4L61.8Low80.2Confident164 Ų16486.4 Ų86.486%0.85944%0.441SS*.  trans-65.4105.6168.7-77.3158.7000104.4K2 L6K2-L4 VanDerWaalsContact C-N 3.33Å; K2-L4 PolarHBondContact O-N 3.09Å; L4-L6 PolarHBondContact O-N 3.12Å
5S78.2Confident81.3Confident106 Ų10681.7 Ų81.774%0.74142%0.422SS*.PPolyproline II helixtrans-54.9134.6171.349.80000108.2F3F3-S5 VanDerWaalsContact C-N 3.34Å; F3-S5 PolarHBondContact O-N 3.16Å
6L88.1Confident82.4Confident92 Ų9280.3 Ų80.348%0.48242%0.419SS..PPolyproline II helixtrans-58.9140.8174.2-62.5175.3000109.4L4 C225 E227L4-L6 PolarHBondContact O-N 3.12Å; L6-C225 HydrophobicContact CD2-CB 4.47Å; L6-C225 VanDerWaalsContact CD2-O 3.3Å; L6-C225 WeakPolarHBondContact CD2-O 3.31Å; L6-E227 HydrophobicContact CB-CB 4.05Å; L6-E227 HydrophobicContact CD1-CB 4.18Å
7V91.8Very high83.3Confident21 Ų2175.8 Ų75.813%0.12740%0.395CS..EExtended strand (participates in β ladder)trans-70125.9176.3-177.90000108.4D110 F111 C226 E227V7-D110 HydrophobicContact CG1-CB 4.09Å; V7-D110 HydrophobicContact CG2-CB 4.34Å; V7-D110 VanDerWaalsContact CG2-O 3.31Å; V7-D110 WeakPolarHBondContact CG2-O 3.48Å; V7-F111 HydrophobicContact CB-CD1 4.13Å; V7-F111 HydrophobicContact CB-CE1 3.68Å; V7-F111 HydrophobicContact CB-CZ 4.02Å; V7-F111 HydrophobicContact CG1-CD1 4.41Å; V7-F111 HydrophobicContact CG1-CE1 3.72Å; V7-F111 HydrophobicContact CG1-CE2 4.05Å; V7-F111 HydrophobicContact CG1-CZ 3.5Å; V7-F111 VanDerWaalsContact CG1-CZ 3.5Å; V7-F111 HydrophobicContact CG2-CD1 4.05Å; V7-F111 HydrophobicContact CG2-CE1 4.11Å; V7-F111 HydrophobicContact CG2-CG 4.49Å; V7-C226 HydrophobicContact CB-CB 4.34Å; V7-C226 WeakPolarHBondContact O-CA 3.48Å; V7-C226 WeakPolarHBondContact O-CB 3.46Å; V7-E227 PolarHBondContact O-N 3.09Å
8P93.7Very high84.1Confident74 Ų7473.9 Ų73.948%0.48139%0.389SS..EExtended strand (participates in β ladder)trans-71.8134.2177.229-34.1000110.6
9V96.4Very high84.9Confident3 Ų370.1 Ų70.12%0.01837%0.368CS..EExtended strand (participates in β ladder)trans-134.8137.6178.6175.90000109.4N48 V50 F111 C226 E227 I228 A229V9-N48 HydrophobicContact CG2-CB 3.99Å; V9-V50 HydrophobicContact CG1-CB 4.33Å; V9-V50 HydrophobicContact CG1-CG2 3.64Å; V9-F111 HydrophobicContact CG2-CE1 4.15Å; V9-F111 HydrophobicContact CG2-CZ 3.9Å; V9-C226 HydrophobicContact CG2-CB 3.91Å; V9-E227 PolarHBondContact N-O 3.07Å; V9-I228 HydrophobicContact CB-CG1 4.01Å; V9-I228 HydrophobicContact CG1-CG1 4.11Å; V9-I228 CarbonylContact O-C 3.58Å; V9-I228 WeakPolarHBondContact O-CA 3.4Å; V9-A229 PolarHBondContact O-N 3.28Å
10V96.6Very high85.5Confident45 Ų4570.8 Ų70.827%0.27337%0.372SS..EExtended strand (participates in β ladder)trans-100.2119.3171.4179.90000109.4K12 N48 T49 V50 A229 Q231V10-K12 HydrophobicContact CG1-CG 4.07Å; V10-N48 PolarHBondContact N-O 2.98Å; V10-T49 CarbonylContact O-C 3.59Å; V10-T49 VanDerWaalsContact O-CA 3.3Å; V10-T49 WeakPolarHBondContact O-CA 3.29Å; V10-T49 WeakPolarHBondContact O-CG2 3.17Å; V10-V50 PolarHBondContact O-N 2.99Å; V10-A229 WeakPolarHBondContact CA-O 3.36Å; V10-Q231 HydrophobicContact CG1-CG 4.24Å
11A97.9Very high86.1Confident0 Ų069 Ų690%036%0.362CS..EExtended strand (participates in β ladder)trans-96134.2172.300000110.7V50 M52 I228 A229 Y230 Q231A11-V50 CarbonylContact C-O 3.47Å; A11-V50 VanDerWaalsContact CA-O 3.27Å; A11-V50 WeakPolarHBondContact CA-O 3.31Å; A11-V50 HydrophobicContact CB-CB 4.26Å; A11-M52 HydrophobicContact CB-CE 4.18Å; A11-I228 HydrophobicContact CB-CG2 3.35Å; A11-A229 PolarHBondContact N-O 3.29Å; A11-Y230 HydrophobicContact CB-CD2 4.16Å; A11-Y230 CarbonylContact O-C 3.53Å; A11-Q231 PolarHBondContact O-N 3.46Å
12K97.9Very high89.1Confident47 Ų4758 Ų5820%0.20431%0.308CS..EExtended strand (participates in β ladder)trans-126.4121-177.3-63.2-175.7173.9-133.10110.8V10 L14 T49 V50 L51 M52 Q231 V233V10-K12 HydrophobicContact CG1-CG 4.07Å; K12-L14 HydrophobicContact CB-CD2 4.23Å; K12-T49 HydrophobicContact CD-CG2 4.3Å; K12-V50 PolarHBondContact N-O 3.28Å; K12-L51 HydrophobicContact CB-CD2 4.23Å; K12-L51 HydrophobicContact CD-CD2 4.29Å; K12-M52 PolarHBondContact O-N 3.41Å; K12-Q231 WeakPolarHBondContact CA-O 3.25Å; K12-Q231 HydrophobicContact CG-CB 4.48Å; K12-V233 HydrophobicContact CB-CG2 4Å; K12-V233 HydrophobicContact CD-CG2 4.06Å; K12-V233 HydrophobicContact CG-CG2 4.07Å
13W98Very high91.8Very high22 Ų2250.7 Ų50.78%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-82.5123.3163.4178.7-110.7000109.7M52 L53 E54 L100 I209 I213 Y230 Q231 V233W13-M52 CarbonylContact C-O 3.53Å; W13-M52 WeakPolarHBondContact CA-O 3.37Å; W13-M52 HydrophobicContact CE3-CB 3.83Å; W13-M52 VanDerWaalsContact CE3-O 3.3Å; W13-M52 HydrophobicContact CZ3-CB 4.33Å; W13-L53 VanDerWaalsContact CZ3-CA 3.49Å; W13-E54 HydrophobicContact CH2-CB 4.2Å; W13-L100 HydrophobicContact CZ3-CD1 3.95Å; W13-I209 HydrophobicContact CH2-CB 4.5Å; W13-I209 HydrophobicContact CH2-CD1 4.47Å; W13-I209 HydrophobicContact CH2-CG2 3.51Å; W13-I209 HydrophobicContact CZ2-CG2 4.42Å; W13-I209 HydrophobicContact CZ3-CG2 3.68Å; W13-I213 HydrophobicContact CD2-CD1 3.82Å; W13-I213 HydrophobicContact CE3-CD1 3.67Å; W13-I213 HydrophobicContact CE3-CG1 4.36Å; W13-I213 HydrophobicContact CG-CD1 4.3Å; W13-I213 HydrophobicContact CZ3-CD1 4.14Å; W13-Y230 HydrophobicContact CB-CE2 4.03Å; W13-Y230 WeakPolarHBondContact CB-OH 3.33Å; W13-Q231 PolarHBondContact N-O 3.38Å; W13-V233 PolarHBondContact O-N 3.02Å
14L97.8Very high94.2Very high4 Ų447.6 Ų47.62%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-102.1-8.5-178.8-55.6-179.1000113.4K12 I17 W25 L51 M52 L53 V233 V235K12-L14 HydrophobicContact CB-CD2 4.23Å; L14-I17 HydrophobicContact CB-CD1 4.39Å; L14-I17 HydrophobicContact CD1-CD1 4.04Å; L14-W25 HydrophobicContact CD1-CB 4.16Å; L14-W25 HydrophobicContact CD1-CD2 4.18Å; L14-W25 HydrophobicContact CD1-CG 3.8Å; L14-W25 HydrophobicContact CD2-CD2 4.29Å; L14-W25 HydrophobicContact CD2-CZ2 4.31Å; L14-L51 HydrophobicContact CD1-CB 4.32Å; L14-L51 HydrophobicContact CD1-CD2 4.28Å; L14-M52 PolarHBondContact N-O 3.33Å; L14-L53 HydrophobicContact CB-CB 4.13Å; L14-L53 HydrophobicContact CD1-CD2 4.49Å; L14-V233 HydrophobicContact CD2-CB 4.2Å; L14-V235 HydrophobicContact CB-CG2 4.11Å; L14-V235 HydrophobicContact CD2-CG2 4.28Å; L14-V235 VanDerWaalsContact O-CG2 3.27Å; L14-V235 WeakPolarHBondContact O-CG2 3.3Å
15G97.3Very high95.9Very high16 Ų1642.3 Ų42.317%0.16523%0.23CC..EExtended strand (participates in β ladder)trans76.3-158.8-17200000113.1E54G15-E54 PolarHBondContact O-N 3.5Å
16T98Very high96.9Very high60 Ų6037.7 Ų37.737%0.36820%0.196SC..EExtended strand (participates in β ladder)trans-85.3117.5176.9-38.60000110E54 F56T16-E54 CarbonylContact C-O 3.42Å; T16-E54 VanDerWaalsContact CA-O 3.25Å; T16-E54 WeakPolarHBondContact CA-O 3.4Å; T16-E54 WeakPolarHBondContact CB-OE2 3.44Å; T16-E54 HydrophobicContact CG2-CB 4.35Å; T16-E54 HydrophobicContact CG2-CG 4.14Å; T16-E54 WeakPolarHBondContact CG2-OE2 3.46Å; T16-E54 PolarHBondContact OG1-OE2 2.87Å; T16-F56 HydrophobicContact CG2-CD1 4.14Å; T16-F56 HydrophobicContact CG2-CE1 3.97Å; T16-F56 HydrophobicContact CG2-CE2 4.43Å; T16-F56 HydrophobicContact CG2-CG 4.44Å; T16-F56 HydrophobicContact CG2-CZ 4.13Å
17I98.1Very high97.3Very high3 Ų336.7 Ų36.72%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-134.8155.8-175.665.9172.7000113.1L14 E21 L53 E54 H55 F56 V235L14-I17 HydrophobicContact CB-CD1 4.39Å; L14-I17 HydrophobicContact CD1-CD1 4.04Å; I17-E21 HydrophobicContact CB-CB 4.5Å; I17-E21 HydrophobicContact CD1-CB 4.37Å; I17-E21 HydrophobicContact CD1-CG 4.19Å; I17-L53 HydrophobicContact CD1-CD1 3.81Å; I17-L53 HydrophobicContact CG1-CB 4.46Å; I17-L53 HydrophobicContact CG1-CD1 3.77Å; I17-E54 PolarHBondContact N-O 3.09Å; I17-H55 WeakPolarHBondContact O-CA 3.39Å; I17-H55 PolarHBondContact O-ND1 3.47Å; I17-F56 PolarHBondContact O-N 2.88Å; I17-V235 HydrophobicContact CG2-CG1 4.36Å
18P98.2Very high97.6Very high42 Ų4239.6 Ų39.627%0.27322%0.215SC..  trans-58.8155.2168.3-25.938.3000112.9D20 E21 G22 H55 F56P18-D20 WeakPolarHBondContact CB-OD1 3.29Å; P18-E21 HydrophobicContact CB-CB 4.43Å; P18-E21 PolarHBondContact O-N 3.11Å; P18-G22 PolarHBondContact O-N 3.23Å; P18-H55 PolarHBondContact O-ND1 3.5Å; P18-F56 HydrophobicContact CG-CD2 4.08Å; P18-F56 HydrophobicContact CG-CE2 4.19Å
19Y98.3Very high97.7Very high2 Ų236.6 Ų36.61%0.00820%0.195CC..Hα-helixtrans-64.2-44.4-175.7-173.3-105.4000113.1E21 G22 L23 H55 V58 T60 Y84 T86Y19-E21 VanDerWaalsContact C-N 3.31Å; Y19-E21 PolarHBondContact O-N 2.9Å; Y19-G22 WeakPolarHBondContact O-CA 3.39Å; Y19-G22 PolarHBondContact O-N 2.9Å; Y19-L23 HydrophobicContact CD1-CD1 4.1Å; Y19-L23 HydrophobicContact CD1-CG 4.28Å; Y19-L23 HydrophobicContact CE1-CD1 3.71Å; Y19-L23 HydrophobicContact CE1-CD2 4.03Å; Y19-L23 HydrophobicContact CE1-CG 3.87Å; Y19-L23 PolarHBondContact O-N 3.18Å; Y19-H55 AromaticContact CD2-CD2 3.81Å; Y19-H55 AromaticContact CD2-CE1 3.92Å; Y19-H55 AromaticContact CD2-NE2 3.51Å; Y19-H55 AromaticContact CE2-NE2 3.99Å; Y19-V58 HydrophobicContact CD2-CG1 4.12Å; Y19-V58 HydrophobicContact CG-CG1 4.37Å; Y19-V58 HydrophobicContact CG-CG2 4.12Å; Y19-T60 HydrophobicContact CD1-CG2 4.19Å; Y19-T60 HydrophobicContact CD2-CG2 3.96Å; Y19-T60 HydrophobicContact CE1-CG2 3.84Å; Y19-T60 HydrophobicContact CE2-CG2 3.63Å; Y19-T60 HydrophobicContact CG-CG2 4.25Å; Y19-Y84 HydrophobicContact CD1-CD1 4.03Å; Y19-Y84 AromaticContact CD1-CD2 3.69Å; Y19-Y84 HydrophobicContact CD1-CD2 3.69Å; Y19-Y84 HydrophobicContact CD1-CE2 4.26Å; Y19-Y84 AromaticContact CD1-CG 3.56Å; Y19-Y84 HydrophobicContact CD1-CG 3.56Å; Y19-Y84 HydrophobicContact CE1-CG 4.15Å; Y19-Y84 HydrophobicContact CG-CD2 4.21Å; Y19-Y84 HydrophobicContact CG-CG 4.5Å; Y19-T86 HydrophobicContact CE1-CG2 3.61Å; Y19-T86 VanDerWaalsContact OH-CG2 3.25Å; Y19-T86 WeakPolarHBondContact OH-CG2 3.47Å
20D97.8Very high97.7Very high83 Ų8337.8 Ų37.844%0.44420%0.2SC..Hα-helixtrans-61.3-36.4176.467.6-35.9000112.5P18 G22 L23 R24 Y84P18-D20 WeakPolarHBondContact CB-OD1 3.29Å; D20-G22 VanDerWaalsContact C-N 3.32Å; D20-G22 PolarHBondContact O-N 3.47Å; D20-L23 PolarHBondContact O-N 3.15Å; D20-R24 WeakPolarHBondContact O-CB 3.48Å; D20-R24 PolarHBondContact O-N 3.01Å; D20-Y84 HydrophobicContact CB-CE1 4.27Å
21E97.9Very high97.7Very high33 Ų3341.6 Ų41.615%0.15422%0.215CC..Hα-helixtrans-64.1-39172.5-174.9162.4-154.100111.5I17 P18 Y19 R24 W25I17-E21 HydrophobicContact CB-CB 4.5Å; I17-E21 HydrophobicContact CD1-CB 4.37Å; I17-E21 HydrophobicContact CD1-CG 4.19Å; P18-E21 HydrophobicContact CB-CB 4.43Å; P18-E21 PolarHBondContact O-N 3.11Å; Y19-E21 VanDerWaalsContact C-N 3.31Å; Y19-E21 PolarHBondContact O-N 2.9Å; E21-R24 WeakPolarHBondContact O-CB 3.41Å; E21-R24 PolarHBondContact O-N 3.33Å; E21-R24 IonicContact OE1-NH2 3.71Å; E21-R24 PolarHBondContact OE1-NH2 3.07Å; E21-W25 VanDerWaalsContact O-CD1 3.23Å; E21-W25 PolarHBondContact O-N 3.06Å
22G98.1Very high97.5Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-57.8-48.6170.900000112.3P18 Y19 D20 R24 W25 Q26P18-G22 PolarHBondContact O-N 3.23Å; Y19-G22 WeakPolarHBondContact O-CA 3.39Å; Y19-G22 PolarHBondContact O-N 2.9Å; D20-G22 VanDerWaalsContact C-N 3.32Å; D20-G22 PolarHBondContact O-N 3.47Å; G22-R24 VanDerWaalsContact C-N 3.3Å; G22-R24 PolarHBondContact O-N 3.12Å; G22-W25 PolarHBondContact O-N 2.89Å; G22-Q26 WeakPolarHBondContact O-CG 3.43Å; G22-Q26 PolarHBondContact O-N 2.99Å
23L98.2Very high97.3Very high49 Ų4945.4 Ų45.426%0.25723%0.232SC..Hα-helixtrans-60.1-39176-64.9-179.5000112.5Y19 D20 Q26 S27Y19-L23 HydrophobicContact CD1-CD1 4.1Å; Y19-L23 HydrophobicContact CD1-CG 4.28Å; Y19-L23 HydrophobicContact CE1-CD1 3.71Å; Y19-L23 HydrophobicContact CE1-CD2 4.03Å; Y19-L23 HydrophobicContact CE1-CG 3.87Å; Y19-L23 PolarHBondContact O-N 3.18Å; D20-L23 PolarHBondContact O-N 3.15Å; L23-Q26 PolarHBondContact O-N 2.9Å; L23-S27 WeakPolarHBondContact O-CB 3.36Å; L23-S27 PolarHBondContact O-N 2.64Å; L23-S27 PolarHBondContact O-OG 2.86Å
24R98.2Very high97Very high134 Ų13447.4 Ų47.451%0.50624%0.244SC..Hα-helixtrans-63.3-44176.2-172.6178.366.7106.40.7111.6D20 E21 G22 S27 V28D20-R24 WeakPolarHBondContact O-CB 3.48Å; D20-R24 PolarHBondContact O-N 3.01Å; E21-R24 WeakPolarHBondContact O-CB 3.41Å; E21-R24 PolarHBondContact O-N 3.33Å; E21-R24 IonicContact OE1-NH2 3.71Å; E21-R24 PolarHBondContact OE1-NH2 3.07Å; G22-R24 VanDerWaalsContact C-N 3.3Å; G22-R24 PolarHBondContact O-N 3.12Å; R24-S27 PolarHBondContact O-N 3.19Å; R24-V28 WeakPolarHBondContact O-CG2 3.26Å; R24-V28 PolarHBondContact O-N 3.21Å
25W98Very high96.8Very high53 Ų5349.9 Ų49.920%0.20127%0.265CS..Hα-helixtrans-61.5-44175.3-85.2107.1000112.4L14 E21 G22 S27 V28 C29 L51 V235L14-W25 HydrophobicContact CD1-CB 4.16Å; L14-W25 HydrophobicContact CD1-CD2 4.18Å; L14-W25 HydrophobicContact CD1-CG 3.8Å; L14-W25 HydrophobicContact CD2-CD2 4.29Å; L14-W25 HydrophobicContact CD2-CZ2 4.31Å; E21-W25 VanDerWaalsContact O-CD1 3.23Å; E21-W25 PolarHBondContact O-N 3.06Å; G22-W25 PolarHBondContact O-N 2.89Å; W25-S27 VanDerWaalsContact C-N 3.31Å; W25-S27 PolarHBondContact O-N 2.89Å; W25-V28 PolarHBondContact O-N 3.15Å; W25-C29 PolarHBondContact O-N 3.41Å; W25-L51 HydrophobicContact CB-CD1 3.82Å; W25-V235 HydrophobicContact CZ2-CG2 4.46Å
26Q98.2Very high96.4Very high8 Ų849.6 Ų49.64%0.03726%0.26CS..Hα-helixtrans-58.3-45174.9-65.6-17463.200111.4G22 L23 V28 C29 H30 L51 Y103 I105G22-Q26 WeakPolarHBondContact O-CG 3.43Å; G22-Q26 PolarHBondContact O-N 2.99Å; L23-Q26 PolarHBondContact O-N 2.9Å; Q26-V28 PolarHBondContact O-N 2.88Å; Q26-C29 PolarHBondContact O-N 2.6Å; Q26-H30 VanDerWaalsContact O-CB 3.28Å; Q26-H30 WeakPolarHBondContact O-CB 3.25Å; Q26-H30 PolarHBondContact O-N 3.39Å; Q26-L51 HydrophobicContact CG-CD1 4.1Å; Q26-Y103 HydrophobicContact CG-CD2 3.53Å; Q26-Y103 HydrophobicContact CG-CE2 4.24Å; Q26-Y103 HydrophobicContact CG-CG 3.92Å; Q26-Y103 VanDerWaalsContact NE2-CE2 3.32Å; Q26-I105 HydrophobicContact CB-CD1 3.98Å; Q26-I105 HydrophobicContact CG-CD1 3.95Å
27S97.8Very high96Very high72 Ų7249 Ų4950%0.50325%0.254SS..Hα-helixtrans-61.9-43.4179-59.70000112.2L23 R24 W25 H30 Q31L23-S27 WeakPolarHBondContact O-CB 3.36Å; L23-S27 PolarHBondContact O-N 2.64Å; L23-S27 PolarHBondContact O-OG 2.86Å; R24-S27 PolarHBondContact O-N 3.19Å; W25-S27 VanDerWaalsContact C-N 3.31Å; W25-S27 PolarHBondContact O-N 2.89Å; S27-H30 PolarHBondContact O-N 3.38Å; S27-Q31 WeakPolarHBondContact O-CB 3.45Å; S27-Q31 VanDerWaalsContact O-CG 3.29Å; S27-Q31 WeakPolarHBondContact O-CG 3.16Å; S27-Q31 PolarHBondContact O-N 3.24Å
28V97Very high95.4Very high82 Ų8253.7 Ų53.750%0.49729%0.288SS..Hα-helixtrans-62.3-46.4176.3170.20000111.2R24 W25 Q26 Q31 K32R24-V28 WeakPolarHBondContact O-CG2 3.26Å; R24-V28 PolarHBondContact O-N 3.21Å; W25-V28 PolarHBondContact O-N 3.15Å; Q26-V28 PolarHBondContact O-N 2.88Å; V28-Q31 PolarHBondContact O-N 3Å; V28-K32 WeakPolarHBondContact O-CB 3.46Å; V28-K32 PolarHBondContact O-N 3.33Å
29C96.6Very high94.7Very high10 Ų1057.1 Ų57.17%0.06830%0.298CS..Hα-helixtrans-63.5-41.7177.2-75.60000112W25 Q26 K32 L33 I105W25-C29 PolarHBondContact O-N 3.41Å; Q26-C29 PolarHBondContact O-N 2.6Å; C29-K32 PolarHBondContact O-N 3.43Å; C29-L33 WeakPolarHBondContact O-CB 3.46Å; C29-L33 PolarHBondContact O-N 2.76Å; C29-I105 HydrophobicContact CB-CB 4.06Å; C29-I105 HydrophobicContact CB-CG1 4.03Å; C29-I105 HydrophobicContact CB-CG2 3.97Å
30H96.5Very high93.6Very high28 Ų2863 Ų6313%0.1333%0.33CS..Hα-helixtrans-62.5-45.7177.6-177.3-69000111.6Q26 S27 L33 L34 I105 I167Q26-H30 VanDerWaalsContact O-CB 3.28Å; Q26-H30 WeakPolarHBondContact O-CB 3.25Å; Q26-H30 PolarHBondContact O-N 3.39Å; S27-H30 PolarHBondContact O-N 3.38Å; H30-L33 PolarHBondContact O-N 2.68Å; H30-L34 VanDerWaalsContact CE1-CD1 3.46Å; H30-L34 WeakPolarHBondContact CE1-CD1 3.48Å; H30-L34 PolarHBondContact O-N 2.82Å; H30-I105 HydrophobicContact CB-CG2 4.16Å; H30-I167 VanDerWaalsContact CD2-CG2 3.44Å; H30-I167 WeakPolarHBondContact CD2-CG2 3.35Å
31Q95.1Very high91.9Very high125 Ų12564.7 Ų64.758%0.58435%0.345SS*.Hα-helixtrans-63.6-42.3176.5-71.7-66.4-21.400111.9S27 V28 L33 L34 A35S27-Q31 WeakPolarHBondContact O-CB 3.45Å; S27-Q31 VanDerWaalsContact O-CG 3.29Å; S27-Q31 WeakPolarHBondContact O-CG 3.16Å; S27-Q31 PolarHBondContact O-N 3.24Å; V28-Q31 PolarHBondContact O-N 3Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.24Å; Q31-L34 PolarHBondContact O-N 2.81Å; Q31-A35 WeakPolarHBondContact O-CB 3.46Å; Q31-A35 PolarHBondContact O-N 3.15Å
32K94Very high90.1Very high128 Ų12867 Ų6756%0.55738%0.379SS*.Hα-helixtrans-61.7-42.1175.4-172.1-174.7178.9-165.10111.6V28 C29 A35 S36 S47V28-K32 WeakPolarHBondContact O-CB 3.46Å; V28-K32 PolarHBondContact O-N 3.33Å; C29-K32 PolarHBondContact O-N 3.43Å; K32-A35 PolarHBondContact O-N 2.87Å; K32-S36 PolarHBondContact O-N 3.1Å; K32-S36 VanDerWaalsContact O-N 3.07Å; K32-S47 VanDerWaalsContact CE-OG 3.26Å; K32-S47 WeakPolarHBondContact CE-OG 3.32Å
33L94.1Very high88.2Confident0 Ų073.3 Ų73.30%041%0.408CS..Hα-helixtrans-63.9-49.7177.4-178.458.4000110.8C29 H30 Q31 A35 S36 L37 T46 I105 H107 I167C29-L33 WeakPolarHBondContact O-CB 3.46Å; C29-L33 PolarHBondContact O-N 2.76Å; H30-L33 PolarHBondContact O-N 2.68Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.24Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.1Å; L33-S36 WeakPolarHBondContact O-CA 3.27Å; L33-S36 WeakPolarHBondContact O-CB 3.48Å; L33-S36 PolarHBondContact O-N 3.2Å; L33-S36 PolarHBondContact O-OG 3.41Å; L33-L37 WeakPolarHBondContact O-CG 3.27Å; L33-L37 PolarHBondContact O-N 3.36Å; L33-L37 VanDerWaalsContact O-N 3.07Å; L33-T46 HydrophobicContact CD1-CG2 4.34Å; L33-I105 HydrophobicContact CD2-CG2 4.45Å; L33-H107 HydrophobicContact CD1-CB 4.14Å; L33-H107 HydrophobicContact CD2-CB 4.07Å; L33-H107 HydrophobicContact CG-CB 4.38Å; L33-I167 HydrophobicContact CD2-CD1 3.98Å; L33-I167 HydrophobicContact CD2-CG1 4.03Å; L33-I167 HydrophobicContact CD2-CG2 3.82Å; L33-I167 HydrophobicContact CG-CD1 4.07Å
34L92.8Very high86.3Confident64 Ų6475.3 Ų75.334%0.33541%0.413SS..Hα-helixtrans-54.1-46.6174.6-78.7179000112.7H30 Q31 S36 L37 S38 I167H30-L34 VanDerWaalsContact CE1-CD1 3.46Å; H30-L34 WeakPolarHBondContact CE1-CD1 3.48Å; H30-L34 PolarHBondContact O-N 2.82Å; Q31-L34 PolarHBondContact O-N 2.81Å; L34-S36 PolarHBondContact O-N 3.17Å; L34-L37 PolarHBondContact O-N 3.28Å; L34-L37 VanDerWaalsContact O-N 3.11Å; L34-S38 PolarHBondContact O-N 3.04Å; L34-I167 HydrophobicContact CD2-CD1 3.51Å; L34-I167 HydrophobicContact CG-CD1 3.8Å
35A91.9Very high84.8Confident55 Ų5572.3 Ų72.346%0.45542%0.417SS..Hα-helixtrans-64.5-26.417800000113.1Q31 K32 L33 S38Q31-A35 WeakPolarHBondContact O-CB 3.46Å; Q31-A35 PolarHBondContact O-N 3.15Å; K32-A35 PolarHBondContact O-N 2.87Å; L33-A35 VanDerWaalsContact C-N 3.32Å; L33-A35 PolarHBondContact O-N 3.1Å; A35-S38 PolarHBondContact O-OG 2.91Å
36S90.1Very high83.8Confident10 Ų1070.6 Ų70.67%0.0741%0.412CS..Hα-helixtrans-76.3-31.2173.170.20000112.8K32 L33 L34 S38 K39K32-S36 PolarHBondContact O-N 3.1Å; K32-S36 VanDerWaalsContact O-N 3.07Å; L33-S36 WeakPolarHBondContact O-CA 3.27Å; L33-S36 WeakPolarHBondContact O-CB 3.48Å; L33-S36 PolarHBondContact O-N 3.2Å; L33-S36 PolarHBondContact O-OG 3.41Å; L34-S36 PolarHBondContact O-N 3.17Å; S36-S38 VanDerWaalsContact C-N 3.31Å; S36-S38 PolarHBondContact O-N 3.06Å; S36-K39 PolarHBondContact O-N 2.73Å
37L89.4Confident83.3Confident48 Ų4871.3 Ų71.325%0.25142%0.418SS..Hα-helixtrans-73.4-22.4178.2-62176.8000112.9L33 L34 K39 Y44 T46 H107 I167L33-L37 WeakPolarHBondContact O-CG 3.27Å; L33-L37 PolarHBondContact O-N 3.36Å; L33-L37 VanDerWaalsContact O-N 3.07Å; L34-L37 PolarHBondContact O-N 3.28Å; L34-L37 VanDerWaalsContact O-N 3.11Å; L37-K39 VanDerWaalsContact C-N 3.3Å; L37-Y44 HydrophobicContact CD2-CE2 3.54Å; L37-Y44 WeakPolarHBondContact CD2-OH 3.35Å; L37-T46 HydrophobicContact CD2-CG2 3.81Å; L37-H107 HydrophobicContact CD1-CB 4.44Å; L37-H107 HydrophobicContact CD2-CB 4.36Å; L37-I167 HydrophobicContact CD1-CD1 4.06Å
38S85.7Confident83.3Confident102 Ų10267.9 Ų67.971%0.71339%0.394SS*.THydrogen-bonded Turntrans-83.3-1.5176.761.80000114.2L34 A35 S36L34-S38 PolarHBondContact O-N 3.04Å; A35-S38 PolarHBondContact O-OG 2.91Å; S36-S38 VanDerWaalsContact C-N 3.31Å; S36-S38 PolarHBondContact O-N 3.06Å
39K83.5Confident83.3Confident113 Ų11364.3 Ų64.349%0.49137%0.372SS..SBendtrans-84.4159.4177.8-64.4-172.1174.6-163.70111.3S36 L37 E43S36-K39 PolarHBondContact O-N 2.73Å; L37-K39 VanDerWaalsContact C-N 3.3Å; K39-E43 HydrophobicContact CB-CB 4.46Å
40D74Confident83.4Confident125 Ų12563.9 Ų63.967%0.66837%0.369SS*.  trans-57.2142.9175.2-74.1-34.7000111G42 E43D40-G42 PolarHBondContact O-N 3.12Å; D40-E43 PolarHBondContact O-N 3.11Å
41P63.2Low83.5Confident119 Ų11962.5 Ų62.577%0.77336%0.363SS*.G310 helixtrans-53.9-24.3-178.1-27.133.5000114.7E43 Y44P41-E43 VanDerWaalsContact C-N 3.34Å; P41-Y44 VanDerWaalsContact O-CB 3.3Å; P41-Y44 WeakPolarHBondContact O-CB 3.28Å
42G59.4Low83.7Confident83 Ų8356.6 Ų56.686%0.85634%0.335SS*.G310 helixtrans-74.1-17.8176.400000114.9D40D40-G42 PolarHBondContact O-N 3.12Å
43E59.5Low83.9Confident131 Ų13150.5 Ų50.561%0.61231%0.309SS*.G310 helixtrans-105.67.8176-66.9-171.3-171.200112.8K39 D40 P41 A45K39-E43 HydrophobicContact CB-CB 4.46Å; D40-E43 PolarHBondContact O-N 3.11Å; P41-E43 VanDerWaalsContact C-N 3.34Å; E43-A45 VanDerWaalsContact C-N 3.35Å; E43-A45 PolarHBondContact O-N 2.81Å
44Y58.1Low84.1Confident92 Ų9252 Ų5236%0.36132%0.315SS..  trans-70.783.2-171.4-166.8-97.1000111.9L37 P41 T46 H107 D110L37-Y44 HydrophobicContact CD2-CE2 3.54Å; L37-Y44 WeakPolarHBondContact CD2-OH 3.35Å; P41-Y44 VanDerWaalsContact O-CB 3.3Å; P41-Y44 WeakPolarHBondContact O-CB 3.28Å; Y44-T46 HydrophobicContact CD1-CG2 3.96Å; Y44-T46 HydrophobicContact CD2-CG2 4.28Å; Y44-T46 HydrophobicContact CE1-CG2 3.27Å; Y44-T46 HydrophobicContact CE2-CG2 3.66Å; Y44-T46 HydrophobicContact CG-CG2 4.43Å; Y44-T46 VanDerWaalsContact OH-CG2 3.25Å; Y44-T46 WeakPolarHBondContact OH-CG2 3.11Å; Y44-H107 PolarHBondContact OH-ND1 2.76Å; Y44-D110 PolarHBondContact OH-OD1 2.93Å
45A66.3Low84.4Confident71 Ų7148.9 Ų48.959%0.58730%0.299SS*.  trans-103.395.4158.400000107.6E43 S47E43-A45 VanDerWaalsContact C-N 3.35Å; E43-A45 PolarHBondContact O-N 2.81Å; A45-S47 PolarHBondContact O-N 2.87Å
46T75.8Confident84.7Confident16 Ų1651.1 Ų51.110%0.09830%0.299CS..  trans-61.1137.3179.738.50000111.3L33 L37 Y44 N48 D110L33-T46 HydrophobicContact CD1-CG2 4.34Å; L37-T46 HydrophobicContact CD2-CG2 3.81Å; Y44-T46 HydrophobicContact CD1-CG2 3.96Å; Y44-T46 HydrophobicContact CD2-CG2 4.28Å; Y44-T46 HydrophobicContact CE1-CG2 3.27Å; Y44-T46 HydrophobicContact CE2-CG2 3.66Å; Y44-T46 HydrophobicContact CG-CG2 4.43Å; Y44-T46 VanDerWaalsContact OH-CG2 3.25Å; Y44-T46 WeakPolarHBondContact OH-CG2 3.11Å; T46-N48 PolarHBondContact O-N 3Å; T46-N48 VanDerWaalsContact O-N 3.13Å; T46-N48 PolarHBondContact OG1-ND2 3.16Å; T46-D110 WeakPolarHBondContact CB-OD2 3.44Å; T46-D110 VanDerWaalsContact CG2-OD2 3.29Å; T46-D110 WeakPolarHBondContact CG2-OD2 3.3Å; T46-D110 PolarHBondContact OG1-OD2 3.13Å
47S88.9Confident85.1Confident23 Ų2352 Ų5216%0.16131%0.305CS..  trans-87.241.2179.5-690000112.3K32 A45 T49K32-S47 VanDerWaalsContact CE-OG 3.26Å; K32-S47 WeakPolarHBondContact CE-OG 3.32Å; A45-S47 PolarHBondContact O-N 2.87Å; S47-T49 PolarHBondContact O-N 3.49Å; S47-T49 PolarHBondContact O-OG1 3.19Å
48N96.8Very high85.5Confident1 Ų149.8 Ų49.81%0.00529%0.293CS..  trans-55.5125.6176.7-71.8-51.4000109.5V9 V10 T46 L106 H107 D110 F111V9-N48 HydrophobicContact CG2-CB 3.99Å; V10-N48 PolarHBondContact N-O 2.98Å; T46-N48 PolarHBondContact O-N 3Å; T46-N48 VanDerWaalsContact O-N 3.13Å; T46-N48 PolarHBondContact OG1-ND2 3.16Å; N48-L106 HydrophobicContact CB-CD2 3.95Å; N48-L106 WeakPolarHBondContact OD1-CA 3.2Å; N48-H107 PolarHBondContact OD1-N 3Å; N48-D110 PolarHBondContact ND2-OD2 3.22Å; N48-F111 HydrophobicContact CB-CZ 4.38Å
49T97.9Very high86Confident6 Ų644.9 Ų44.94%0.03726%0.259CS..EExtended strand (participates in β ladder)trans-131.2136.2-172.9-55.10000110.6V10 K12 S47 L51 I105V10-T49 CarbonylContact O-C 3.59Å; V10-T49 VanDerWaalsContact O-CA 3.3Å; V10-T49 WeakPolarHBondContact O-CA 3.29Å; V10-T49 WeakPolarHBondContact O-CG2 3.17Å; K12-T49 HydrophobicContact CD-CG2 4.3Å; S47-T49 PolarHBondContact O-N 3.49Å; S47-T49 PolarHBondContact O-OG1 3.19Å; T49-L51 HydrophobicContact CG2-CD2 3.7Å; T49-L51 HydrophobicContact CG2-CG 4.16Å; T49-I105 PolarHBondContact N-O 3.06Å; T49-I105 PolarHBondContact O-N 3.33Å
50V98.5Very high86.6Confident1 Ų139.5 Ų39.51%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-109.6109.2169173.90000108.1V9 V10 A11 K12 M52 V102 P104 L106 F220V9-V50 HydrophobicContact CG1-CB 4.33Å; V9-V50 HydrophobicContact CG1-CG2 3.64Å; V10-V50 PolarHBondContact O-N 2.99Å; A11-V50 CarbonylContact C-O 3.47Å; A11-V50 VanDerWaalsContact CA-O 3.27Å; A11-V50 WeakPolarHBondContact CA-O 3.31Å; A11-V50 HydrophobicContact CB-CB 4.26Å; K12-V50 PolarHBondContact N-O 3.28Å; V50-M52 HydrophobicContact CG1-CG 4.03Å; V50-V102 HydrophobicContact CG1-CG1 3.42Å; V50-V102 VanDerWaalsContact CG1-CG1 3.42Å; V50-P104 HydrophobicContact CG2-CB 4.19Å; V50-L106 HydrophobicContact CG2-CD2 4.44Å; V50-F220 HydrophobicContact CG2-CE1 3.95Å; V50-F220 HydrophobicContact CG2-CE2 4.29Å; V50-F220 HydrophobicContact CG2-CZ 3.77Å
51L98.6Very high87.6Confident0 Ų034 Ų340%021%0.206CC..EExtended strand (participates in β ladder)trans-88.4126.7174.9-56171.3000108.5K12 L14 W25 Q26 T49 L53 V102 Y103 I105K12-L51 HydrophobicContact CB-CD2 4.23Å; K12-L51 HydrophobicContact CD-CD2 4.29Å; L14-L51 HydrophobicContact CD1-CB 4.32Å; L14-L51 HydrophobicContact CD1-CD2 4.28Å; W25-L51 HydrophobicContact CB-CD1 3.82Å; Q26-L51 HydrophobicContact CG-CD1 4.1Å; T49-L51 HydrophobicContact CG2-CD2 3.7Å; T49-L51 HydrophobicContact CG2-CG 4.16Å; L51-L53 HydrophobicContact CB-CD2 4.26Å; L51-V102 CarbonylContact O-C 3.55Å; L51-V102 VanDerWaalsContact O-CA 3.25Å; L51-V102 WeakPolarHBondContact O-CA 3.44Å; L51-Y103 PolarHBondContact N-O 2.77Å; L51-Y103 PolarHBondContact O-N 2.85Å; L51-I105 HydrophobicContact CD1-CG1 4.33Å
52M98.7Very high89Confident0 Ų028.6 Ų28.60%017%0.172CC..EExtended strand (participates in β ladder)trans-121.1133.5176.7-59.9179.6-57.700108.7A11 K12 W13 L14 V50 L100 V101 V102 I213 F216 I217 Y230A11-M52 HydrophobicContact CB-CE 4.18Å; K12-M52 PolarHBondContact O-N 3.41Å; W13-M52 CarbonylContact C-O 3.53Å; W13-M52 WeakPolarHBondContact CA-O 3.37Å; W13-M52 HydrophobicContact CE3-CB 3.83Å; W13-M52 VanDerWaalsContact CE3-O 3.3Å; W13-M52 HydrophobicContact CZ3-CB 4.33Å; L14-M52 PolarHBondContact N-O 3.33Å; V50-M52 HydrophobicContact CG1-CG 4.03Å; M52-L100 HydrophobicContact CB-CD1 4.17Å; M52-V101 WeakPolarHBondContact CA-O 3.38Å; M52-V102 HydrophobicContact CG-CG1 4Å; M52-V102 HydrophobicContact CG-CG2 4.03Å; M52-I213 HydrophobicContact CE-CG2 3.83Å; M52-I213 HydrophobicContact SD-CG2 4.32Å; M52-F216 HydrophobicContact SD-CD1 4.24Å; M52-I217 HydrophobicContact CE-CD1 4.09Å; M52-I217 HydrophobicContact CE-CG1 4.37Å; M52-I217 HydrophobicContact SD-CG1 4.21Å; M52-Y230 HydrophobicContact CE-CD2 3.78Å; M52-Y230 HydrophobicContact CE-CE2 3.38Å
53L98.6Very high90.6Very high0 Ų029.5 Ų29.50%016%0.161CC..EExtended strand (participates in β ladder)trans-160.1174.5-170.258.7144.4000111.2W13 L14 I17 L51 H55 V101 Y103W13-L53 VanDerWaalsContact CZ3-CA 3.49Å; L14-L53 HydrophobicContact CB-CB 4.13Å; L14-L53 HydrophobicContact CD1-CD2 4.49Å; I17-L53 HydrophobicContact CD1-CD1 3.81Å; I17-L53 HydrophobicContact CG1-CB 4.46Å; I17-L53 HydrophobicContact CG1-CD1 3.77Å; L51-L53 HydrophobicContact CB-CD2 4.26Å; L53-H55 WeakPolarHBondContact CD1-CE1 3.41Å; L53-H55 VanDerWaalsContact CD1-NE2 3.31Å; L53-H55 WeakPolarHBondContact CD1-NE2 3.13Å; L53-V101 HydrophobicContact CG-CB 4.2Å; L53-V101 HydrophobicContact CG-CG1 4.41Å; L53-V101 PolarHBondContact N-O 2.99Å; L53-V101 PolarHBondContact O-N 2.93Å; L53-Y103 HydrophobicContact CD1-CE2 3.94Å; L53-Y103 HydrophobicContact CD2-CD2 3.65Å; L53-Y103 HydrophobicContact CD2-CE2 3.73Å; L53-Y103 HydrophobicContact CD2-CG 4.39Å; L53-Y103 HydrophobicContact CG-CE2 4.42Å
54E98.5Very high91.9Very high31 Ų3130.7 Ų30.715%0.14516%0.16CC..EExtended strand (participates in β ladder)trans-124145.9166.8-178.2-176.6-117.500107.5W13 G15 T16 I17 P97 G98 I209W13-E54 HydrophobicContact CH2-CB 4.2Å; G15-E54 PolarHBondContact O-N 3.5Å; T16-E54 CarbonylContact C-O 3.42Å; T16-E54 VanDerWaalsContact CA-O 3.25Å; T16-E54 WeakPolarHBondContact CA-O 3.4Å; T16-E54 WeakPolarHBondContact CB-OE2 3.44Å; T16-E54 HydrophobicContact CG2-CB 4.35Å; T16-E54 HydrophobicContact CG2-CG 4.14Å; T16-E54 WeakPolarHBondContact CG2-OE2 3.46Å; T16-E54 PolarHBondContact OG1-OE2 2.87Å; I17-E54 PolarHBondContact N-O 3.09Å; E54-P97 WeakPolarHBondContact OE1-CA 3.3Å; E54-G98 PolarHBondContact OE1-N 3.28Å; E54-I209 HydrophobicContact CB-CD1 3.81Å; E54-I209 HydrophobicContact CG-CD1 3.76Å; E54-I209 WeakPolarHBondContact OE1-CD1 3.39Å
55H98.6Very high92.9Very high0 Ų027.8 Ų27.80%016%0.158CC..EExtended strand (participates in β ladder)trans-102.5151.3174.1-79-52.4000111.9I17 P18 Y19 L53 V58 H95 G96 Y103I17-H55 WeakPolarHBondContact O-CA 3.39Å; I17-H55 PolarHBondContact O-ND1 3.47Å; P18-H55 PolarHBondContact O-ND1 3.5Å; Y19-H55 AromaticContact CD2-CD2 3.81Å; Y19-H55 AromaticContact CD2-CE1 3.92Å; Y19-H55 AromaticContact CD2-NE2 3.51Å; Y19-H55 AromaticContact CE2-NE2 3.99Å; L53-H55 WeakPolarHBondContact CD1-CE1 3.41Å; L53-H55 VanDerWaalsContact CD1-NE2 3.31Å; L53-H55 WeakPolarHBondContact CD1-NE2 3.13Å; H55-V58 HydrophobicContact CB-CG1 4.08Å; H55-H95 HydrophobicContact CB-CB 4.12Å; H55-G96 CarbonylContact O-C 3.56Å; H55-G96 VanDerWaalsContact O-CA 3.26Å; H55-G96 WeakPolarHBondContact O-CA 3.44Å; H55-Y103 AromaticContact NE2-CZ 3.82Å; H55-Y103 PolarHBondContact NE2-OH 3.03Å
56F98.4Very high93.2Very high101 Ų10127.2 Ų27.244%0.44315%0.15SC..SBendtrans-60.9157155.1-66.2-68.7000109.8T16 I17 P18 V58T16-F56 HydrophobicContact CG2-CD1 4.14Å; T16-F56 HydrophobicContact CG2-CE1 3.97Å; T16-F56 HydrophobicContact CG2-CE2 4.43Å; T16-F56 HydrophobicContact CG2-CG 4.44Å; T16-F56 HydrophobicContact CG2-CZ 4.13Å; I17-F56 PolarHBondContact O-N 2.88Å; P18-F56 HydrophobicContact CG-CD2 4.08Å; P18-F56 HydrophobicContact CG-CE2 4.19Å; F56-V58 WeakPolarHBondContact O-CG1 3.49Å; F56-V58 PolarHBondContact O-N 2.74Å; F56-V58 VanDerWaalsContact O-N 3.12Å
57P98.5Very high93Very high30 Ų3030.4 Ų30.420%0.19517%0.172CC..SBendtrans-49.3120.8-178.5-29.637.2000112.2A81 D82 F94 H95 W182P57-A81 HydrophobicContact CB-CB 3.91Å; P57-A81 CarbonylContact O-C 3.5Å; P57-A81 VanDerWaalsContact O-CA 3.29Å; P57-A81 WeakPolarHBondContact O-CA 3.33Å; P57-D82 PolarHBondContact O-N 3.39Å; P57-F94 HydrophobicContact CB-CE2 3.87Å; P57-F94 HydrophobicContact CB-CZ 3.89Å; P57-H95 CarbonylContact C-O 3.58Å; P57-H95 WeakPolarHBondContact CA-O 3.49Å; P57-W182 HydrophobicContact CB-CH2 4.18Å; P57-W182 HydrophobicContact CB-CZ2 4.26Å; P57-W182 HydrophobicContact CG-CZ2 4.38Å
58V98.3Very high92.2Very high0 Ų032.4 Ų32.40%019%0.186CC..EExtended strand (participates in β ladder)trans-150.4133.9-178.561.10000111.2Y19 H55 F56 T60 D82 Y84 F94 H95Y19-V58 HydrophobicContact CD2-CG1 4.12Å; Y19-V58 HydrophobicContact CG-CG1 4.37Å; Y19-V58 HydrophobicContact CG-CG2 4.12Å; H55-V58 HydrophobicContact CB-CG1 4.08Å; F56-V58 WeakPolarHBondContact O-CG1 3.49Å; F56-V58 PolarHBondContact O-N 2.74Å; F56-V58 VanDerWaalsContact O-N 3.12Å; V58-T60 HydrophobicContact CG1-CG2 4.47Å; V58-T60 HydrophobicContact CG2-CG2 3.92Å; V58-D82 CarbonylContact C-O 3.2Å; V58-D82 VanDerWaalsContact CA-O 3.3Å; V58-D82 WeakPolarHBondContact CA-O 3.36Å; V58-D82 HydrophobicContact CB-CB 4.16Å; V58-D82 HydrophobicContact CG2-CB 3.91Å; V58-Y84 HydrophobicContact CG2-CD2 3.72Å; V58-Y84 HydrophobicContact CG2-CE2 4.37Å; V58-F94 WeakPolarHBondContact O-CA 3.37Å; V58-F94 WeakPolarHBondContact O-CD2 3.45Å; V58-H95 HydrophobicContact CG1-CB 3.78Å; V58-H95 PolarHBondContact N-O 3.41Å; V58-H95 PolarHBondContact O-N 2.81Å
59Y96.6Very high91.1Very high0 Ų032.6 Ų32.60%019%0.188CC..EExtended strand (participates in β ladder)trans-94131.7164.2-69.6-81.1000109.9L76 A81 D82 F83 Y84 T93 F94 W182 I186Y59-L76 HydrophobicContact CD1-CD1 4.09Å; Y59-L76 HydrophobicContact CD2-CB 3.65Å; Y59-L76 HydrophobicContact CD2-CD1 3.99Å; Y59-L76 HydrophobicContact CD2-CD2 4.13Å; Y59-L76 HydrophobicContact CD2-CG 4.11Å; Y59-L76 HydrophobicContact CE1-CD1 4.47Å; Y59-L76 HydrophobicContact CE1-CD2 4.15Å; Y59-L76 HydrophobicContact CE2-CB 3.85Å; Y59-L76 HydrophobicContact CE2-CD1 4.37Å; Y59-L76 HydrophobicContact CE2-CD2 3.67Å; Y59-L76 HydrophobicContact CE2-CG 4.14Å; Y59-L76 HydrophobicContact CG-CB 4.31Å; Y59-L76 HydrophobicContact CG-CD1 3.81Å; Y59-L76 HydrophobicContact CG-CG 4.43Å; Y59-A81 HydrophobicContact CD2-CB 3.67Å; Y59-A81 HydrophobicContact CE2-CB 3.76Å; Y59-D82 PolarHBondContact N-O 2.9Å; Y59-F83 WeakPolarHBondContact O-CA 3.47Å; Y59-Y84 PolarHBondContact O-N 2.97Å; Y59-T93 WeakPolarHBondContact CA-O 3.46Å; Y59-F94 HydrophobicContact CD1-CB 3.97Å; Y59-F94 HydrophobicContact CD1-CD2 4.04Å; Y59-F94 HydrophobicContact CD2-CD2 4.21Å; Y59-F94 HydrophobicContact CE1-CB 3.76Å; Y59-F94 AromaticContact CE1-CD2 3.81Å; Y59-F94 HydrophobicContact CE1-CD2 3.81Å; Y59-F94 HydrophobicContact CE1-CG 4.16Å; Y59-F94 AromaticContact CE2-CD2 3.99Å; Y59-F94 HydrophobicContact CE2-CD2 3.99Å; Y59-F94 HydrophobicContact CE2-CE2 4.4Å; Y59-F94 HydrophobicContact CG-CD2 4.26Å; Y59-F94 AromaticContact CZ-CD2 3.79Å; Y59-W182 WeakPolarHBondContact CE1-O 3.5Å; Y59-W182 AromaticContact CE2-CE3 3.9Å; Y59-W182 HydrophobicContact CE2-CE3 3.9Å; Y59-W182 HydrophobicContact CE2-CZ3 4.21Å; Y59-W182 AromaticContact CZ-CE3 3.95Å; Y59-W182 PolarHBondContact OH-O 3.34Å; Y59-I186 HydrophobicContact CD1-CD1 4.04Å; Y59-I186 HydrophobicContact CD1-CG2 3.76Å; Y59-I186 HydrophobicContact CE1-CB 4.49Å; Y59-I186 HydrophobicContact CE1-CD1 3.96Å; Y59-I186 HydrophobicContact CE1-CG1 4.1Å; Y59-I186 HydrophobicContact CE1-CG2 3.58Å
60T95.8Very high89.9Confident0 Ų036 Ų360%021%0.206CC..EExtended strand (participates in β ladder)trans-122.1139.1176.465.70000110.3Y19 V58 Y84 T86 R88 I92 T93Y19-T60 HydrophobicContact CD1-CG2 4.19Å; Y19-T60 HydrophobicContact CD2-CG2 3.96Å; Y19-T60 HydrophobicContact CE1-CG2 3.84Å; Y19-T60 HydrophobicContact CE2-CG2 3.63Å; Y19-T60 HydrophobicContact CG-CG2 4.25Å; V58-T60 HydrophobicContact CG1-CG2 4.47Å; V58-T60 HydrophobicContact CG2-CG2 3.92Å; T60-Y84 CarbonylContact C-O 3.58Å; T60-Y84 VanDerWaalsContact CA-O 3.25Å; T60-Y84 WeakPolarHBondContact CA-O 3.43Å; T60-T86 HydrophobicContact CG2-CG2 4.3Å; T60-R88 VanDerWaalsContact C-NH2 3.35Å; T60-R88 PolarHBondContact O-NH2 2.9Å; T60-R88 PolarHBondContact OG1-NE 2.95Å; T60-R88 PolarHBondContact OG1-NH2 3.29Å; T60-I92 CarbonylContact O-C 3.53Å; T60-I92 WeakPolarHBondContact O-CA 3.31Å; T60-T93 PolarHBondContact N-O 2.91Å; T60-T93 PolarHBondContact O-N 2.87Å
61V94.5Very high89Confident9 Ų943.7 Ų43.76%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-109.4122.1175.2-174.60000108.9A69 F83 Y84 R85 T86 I92V61-A69 HydrophobicContact CG1-CB 4.28Å; V61-A69 HydrophobicContact CG2-CB 3.82Å; V61-F83 HydrophobicContact CG2-CE1 3.94Å; V61-F83 HydrophobicContact CG2-CE2 4.03Å; V61-F83 HydrophobicContact CG2-CZ 3.37Å; V61-Y84 PolarHBondContact N-O 3.04Å; V61-R85 HydrophobicContact CB-CG 4.39Å; V61-T86 PolarHBondContact O-N 2.84Å; V61-T86 PolarHBondContact O-OG1 2.89Å; V61-I92 HydrophobicContact CG2-CB 4.26Å; V61-I92 HydrophobicContact CG2-CD1 4.07Å; V61-I92 HydrophobicContact CG2-CG1 4.08Å
62G93.6Very high88.3Confident5 Ų544.2 Ų44.25%0.05225%0.247CC..  trans-84.3177.4173.600000112.8R64 G65 R88 G90 L91G62-R64 PolarHBondContact O-N 2.52Å; G62-G65 PolarHBondContact O-N 2.86Å; G62-R88 CarbonylContact C-O 3.49Å; G62-R88 WeakPolarHBondContact CA-O 3.2Å; G62-G90 CarbonylContact C-O 3.46Å; G62-G90 VanDerWaalsContact CA-O 3.32Å; G62-G90 WeakPolarHBondContact CA-O 3.4Å; G62-L91 PolarHBondContact N-O 3.1Å; G62-L91 VanDerWaalsContact N-O 3.17Å
63V92Very high88Confident102 Ų10246.4 Ų46.462%0.61826%0.257SS*.THydrogen-bonded Turntrans-63.5-14.5-173.3-59.60000115.5R88V63-R88 PolarHBondContact N-O 2.92Å
64R86.3Confident87.6Confident156 Ų15656.4 Ų56.459%0.58929%0.294SS*.THydrogen-bonded Turntrans-94.8-2.6175.3-64.9-177-75.5171.5-6.3112.7G62 G90 L91G62-R64 PolarHBondContact O-N 2.52Å; R64-G90 WeakPolarHBondContact CB-O 3.31Å; R64-G90 PolarHBondContact N-O 2.86Å; R64-G90 VanDerWaalsContact N-O 3.08Å; R64-L91 HydrophobicContact CB-CD2 4Å; R64-L91 WeakPolarHBondContact O-CD2 3.31Å
65G80.6Confident87.4Confident31 Ų3160.3 Ų60.332%0.3231%0.308SS..  trans-58.4145.4-17800000112.9G62G62-G65 PolarHBondContact O-N 2.86Å
66S72.6Confident87.2Confident60 Ų6060.3 Ų60.342%0.4231%0.308SS..  trans-99.4165.6-179.4480000112.4S68 A69S66-S68 PolarHBondContact O-N 3.11Å; S66-S68 PolarHBondContact OG-OG 2.94Å; S66-A69 WeakPolarHBondContact O-CB 3.35Å; S66-A69 PolarHBondContact O-N 3.37Å
67S70.1Confident87Confident82 Ų8259.8 Ų59.857%0.57331%0.307SS*.Hα-helixtrans-57.4-17.8173.555.50000114.9A69 D70 Q71S67-A69 PolarHBondContact O-N 3.19Å; S67-D70 WeakPolarHBondContact O-CB 3.46Å; S67-D70 PolarHBondContact O-N 3.21Å; S67-Q71 PolarHBondContact O-N 3.09Å
68S72.6Confident86.8Confident65 Ų6563.9 Ų63.946%0.45534%0.335SS..Hα-helixtrans-62.8-31.5170.756.10000112.6S66 A72S66-S68 PolarHBondContact O-N 3.11Å; S66-S68 PolarHBondContact OG-OG 2.94Å; S68-A72 PolarHBondContact O-N 2.97Å
69A74.1Confident86.6Confident6 Ų667.2 Ų67.25%0.0535%0.352CS..Hα-helixtrans-68.1-37.417400000111.4V61 S66 S67 Q71 A72 E73 I92V61-A69 HydrophobicContact CG1-CB 4.28Å; V61-A69 HydrophobicContact CG2-CB 3.82Å; S66-A69 WeakPolarHBondContact O-CB 3.35Å; S66-A69 PolarHBondContact O-N 3.37Å; S67-A69 PolarHBondContact O-N 3.19Å; A69-Q71 VanDerWaalsContact C-N 3.31Å; A69-Q71 PolarHBondContact O-N 3.44Å; A69-A72 PolarHBondContact O-N 3.41Å; A69-E73 PolarHBondContact O-N 3.29Å; A69-E73 VanDerWaalsContact O-N 3.12Å; A69-I92 HydrophobicContact CB-CD1 4.14Å
70D73.5Confident86.5Confident77 Ų7769.6 Ų69.641%0.41238%0.377SS..Hα-helixtrans-64.1-37.4179-57.7-31.9000111.7S67 A72 R85S67-D70 WeakPolarHBondContact O-CB 3.46Å; S67-D70 PolarHBondContact O-N 3.21Å; D70-A72 PolarHBondContact O-N 3.3Å; D70-R85 IonicContact OD1-CZ 3.56Å; D70-R85 IonicContact OD1-NE 3.02Å; D70-R85 PolarHBondContact OD1-NE 3.13Å; D70-R85 IonicContact OD1-NH2 3.96Å; D70-R85 PolarHBondContact OD1-NH2 2.95Å
71Q77.9Confident86.6Confident162 Ų16269.8 Ų69.876%0.75738%0.378SS*.Hα-helixtrans-70.5-23175.4-68.2175.491.500112.8S67 A69S67-Q71 PolarHBondContact O-N 3.09Å; A69-Q71 VanDerWaalsContact C-N 3.31Å; A69-Q71 PolarHBondContact O-N 3.44Å
72A85.5Confident86.7Confident12 Ų1272 Ų7210%0.09939%0.39CS..Hα-helixtrans-88.4-19.7-179.900000113.3S68 A69 D70 R74 R75 L76S68-A72 PolarHBondContact O-N 2.97Å; A69-A72 PolarHBondContact O-N 3.41Å; D70-A72 PolarHBondContact O-N 3.3Å; A72-R74 PolarHBondContact O-N 3.23Å; A72-R75 WeakPolarHBondContact O-CA 3.38Å; A72-R75 WeakPolarHBondContact O-CB 3.47Å; A72-R75 PolarHBondContact O-N 3.43Å; A72-L76 HydrophobicContact CB-CD1 3.98Å; A72-L76 HydrophobicContact CB-CG 4.21Å; A72-L76 VanDerWaalsContact O-CG 3.31Å; A72-L76 WeakPolarHBondContact O-CG 3.26Å; A72-L76 PolarHBondContact O-N 2.76Å
73E91.6Very high86.8Confident46 Ų4672.5 Ų72.522%0.21539%0.391CS..Hα-helixtrans-45.7-60.2-173.7-179.4163-153.500112.7A69 R75 L76 E77 F83 R85A69-E73 PolarHBondContact O-N 3.29Å; A69-E73 VanDerWaalsContact O-N 3.12Å; E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 2.91Å; E73-L76 PolarHBondContact O-N 2.71Å; E73-E77 WeakPolarHBondContact O-CG 3.09Å; E73-E77 PolarHBondContact O-N 2.91Å; E73-F83 HydrophobicContact CB-CD1 4.22Å; E73-F83 HydrophobicContact CB-CD2 4.28Å; E73-F83 HydrophobicContact CB-CE1 4.09Å; E73-F83 HydrophobicContact CB-CE2 4.16Å; E73-F83 HydrophobicContact CB-CG 4.3Å; E73-F83 HydrophobicContact CB-CZ 4.04Å; E73-F83 VanDerWaalsContact CD-CD1 3.47Å; E73-F83 HydrophobicContact CG-CB 4.16Å; E73-F83 HydrophobicContact CG-CD1 3.57Å; E73-F83 HydrophobicContact CG-CD2 4.19Å; E73-F83 HydrophobicContact CG-CE1 3.88Å; E73-F83 HydrophobicContact CG-CE2 4.47Å; E73-F83 HydrophobicContact CG-CG 3.72Å; E73-F83 HydrophobicContact CG-CZ 4.3Å; E73-F83 WeakPolarHBondContact OE1-CD1 3.27Å; E73-R85 IonicContact OE1-CZ 2.68Å; E73-R85 IonicContact OE1-NH1 2.77Å; E73-R85 PolarHBondContact OE1-NH1 3.34Å; E73-R85 IonicContact OE1-NH2 3.48Å; E73-R85 IonicContact OE2-CZ 3.77Å; E73-R85 IonicContact OE2-NH1 3.82Å; E73-R85 PolarHBondContact OE2-NH1 3.29Å; E73-R85 VanDerWaalsContact OE2-NH1 3.11Å; E73-R85 IonicContact OE2-NH2 2.62Å; E73-R85 PolarHBondContact OE2-NH2 3.42Å
74R90.8Very high87Confident209 Ų20971.1 Ų71.179%0.78938%0.375SS*.Hα-helixtrans-57.5-40179.1-70.6-173.2179.7-127.2-0.3113.4A72 L76 C78A72-R74 PolarHBondContact O-N 3.23Å; R74-L76 VanDerWaalsContact C-N 3.34Å; R74-C78 WeakPolarHBondContact O-CB 3.45Å; R74-C78 PolarHBondContact O-N 3.19Å; R74-C78 PolarHBondContact O-SG 3.23Å
75R93.4Very high87.4Confident114 Ų11469.6 Ų69.643%0.4337%0.369SS..Hα-helixtrans-65.3-41.2179.2178-177.86282.1-1110.6A72 E73 C78 L79 H185A72-R75 WeakPolarHBondContact O-CA 3.38Å; A72-R75 WeakPolarHBondContact O-CB 3.47Å; A72-R75 PolarHBondContact O-N 3.43Å; E73-R75 VanDerWaalsContact C-N 3.29Å; E73-R75 PolarHBondContact O-N 2.91Å; R75-C78 PolarHBondContact O-N 2.93Å; R75-L79 PolarHBondContact O-N 2.95Å; R75-H185 PolarHBondContact NH2-O 2.84Å
76L93.9Very high88.1Confident0 Ų069 Ų690%036%0.359CS..Hα-helixtrans-71.4-38.3-179.7-64176.7000111.6Y59 A72 E73 R74 C78 L79 F83 I92 H185 I186Y59-L76 HydrophobicContact CD1-CD1 4.09Å; Y59-L76 HydrophobicContact CD2-CB 3.65Å; Y59-L76 HydrophobicContact CD2-CD1 3.99Å; Y59-L76 HydrophobicContact CD2-CD2 4.13Å; Y59-L76 HydrophobicContact CD2-CG 4.11Å; Y59-L76 HydrophobicContact CE1-CD1 4.47Å; Y59-L76 HydrophobicContact CE1-CD2 4.15Å; Y59-L76 HydrophobicContact CE2-CB 3.85Å; Y59-L76 HydrophobicContact CE2-CD1 4.37Å; Y59-L76 HydrophobicContact CE2-CD2 3.67Å; Y59-L76 HydrophobicContact CE2-CG 4.14Å; Y59-L76 HydrophobicContact CG-CB 4.31Å; Y59-L76 HydrophobicContact CG-CD1 3.81Å; Y59-L76 HydrophobicContact CG-CG 4.43Å; A72-L76 HydrophobicContact CB-CD1 3.98Å; A72-L76 HydrophobicContact CB-CG 4.21Å; A72-L76 VanDerWaalsContact O-CG 3.31Å; A72-L76 WeakPolarHBondContact O-CG 3.26Å; A72-L76 PolarHBondContact O-N 2.76Å; E73-L76 PolarHBondContact O-N 2.71Å; R74-L76 VanDerWaalsContact C-N 3.34Å; L76-C78 VanDerWaalsContact C-N 3.34Å; L76-C78 PolarHBondContact O-N 2.98Å; L76-L79 HydrophobicContact CD2-CD1 4.18Å; L76-L79 WeakPolarHBondContact O-CB 3.35Å; L76-L79 PolarHBondContact O-N 3.39Å; L76-L79 VanDerWaalsContact O-N 3.15Å; L76-F83 HydrophobicContact CB-CD2 4.49Å; L76-F83 HydrophobicContact CD1-CD2 4.1Å; L76-F83 HydrophobicContact CD1-CE2 3.89Å; L76-I92 HydrophobicContact CD1-CD1 3.93Å; L76-H185 HydrophobicContact CD2-CB 3.73Å; L76-I186 HydrophobicContact CD1-CG2 3.91Å; L76-I186 HydrophobicContact CD2-CG2 4.16Å
77E94.4Very high89.1Confident90 Ų9069.8 Ų69.842%0.42136%0.359SS..Hα-helixtrans-63.5-38.5172.5-69.7178.2139.600112.1E73 L79 G80 A81 F83E73-E77 WeakPolarHBondContact O-CG 3.09Å; E73-E77 PolarHBondContact O-N 2.91Å; E77-L79 PolarHBondContact O-N 3.46Å; E77-G80 WeakPolarHBondContact O-CA 3.42Å; E77-G80 PolarHBondContact O-N 2.84Å; E77-A81 WeakPolarHBondContact CA-O 3.39Å; E77-F83 HydrophobicContact CG-CB 4Å
78C94.7Very high90.3Very high115 Ų11566.7 Ų66.778%0.77733%0.334SS*.THydrogen-bonded Turntrans-63.4-19.6174.8-70.10000113.6R74 R75 L76 G80R74-C78 WeakPolarHBondContact O-CB 3.45Å; R74-C78 PolarHBondContact O-N 3.19Å; R74-C78 PolarHBondContact O-SG 3.23Å; R75-C78 PolarHBondContact O-N 2.93Å; L76-C78 VanDerWaalsContact C-N 3.34Å; L76-C78 PolarHBondContact O-N 2.98Å; C78-G80 PolarHBondContact O-N 3.27Å
79L94.6Very high91.2Very high71 Ų7164.6 Ų64.637%0.37232%0.324SS..THydrogen-bonded Turntrans-77.1-7.5171.7-61171.5000112.5R75 L76 E77 W182 H185R75-L79 PolarHBondContact O-N 2.95Å; L76-L79 HydrophobicContact CD2-CD1 4.18Å; L76-L79 WeakPolarHBondContact O-CB 3.35Å; L76-L79 PolarHBondContact O-N 3.39Å; L76-L79 VanDerWaalsContact O-N 3.15Å; E77-L79 PolarHBondContact O-N 3.46Å; L79-W182 HydrophobicContact CB-CH2 4.28Å; L79-W182 HydrophobicContact CB-CZ3 3.8Å; L79-W182 WeakPolarHBondContact O-CH2 3.41Å; L79-H185 HydrophobicContact CD1-CB 4.32Å; L79-H185 VanDerWaalsContact CD1-CD2 3.41Å; L79-H185 WeakPolarHBondContact CD1-CD2 3.46Å
80G94.9Very high91.9Very high50 Ų5064.7 Ų64.752%0.51533%0.325SS..THydrogen-bonded Turntrans90.915.1-179.200000114.7E77 C78E77-G80 WeakPolarHBondContact O-CA 3.42Å; E77-G80 PolarHBondContact O-N 2.84Å; C78-G80 PolarHBondContact O-N 3.27Å
81A96.9Very high92.8Very high3 Ų363.2 Ų63.23%0.02532%0.317CS..  trans-98.9143.5172.600000111.4P57 Y59 E77 F94 W182P57-A81 HydrophobicContact CB-CB 3.91Å; P57-A81 CarbonylContact O-C 3.5Å; P57-A81 VanDerWaalsContact O-CA 3.29Å; P57-A81 WeakPolarHBondContact O-CA 3.33Å; Y59-A81 HydrophobicContact CD2-CB 3.67Å; Y59-A81 HydrophobicContact CE2-CB 3.76Å; E77-A81 WeakPolarHBondContact CA-O 3.39Å; A81-F94 HydrophobicContact CB-CE2 4.33Å; A81-W182 HydrophobicContact CB-CE3 4.36Å; A81-W182 HydrophobicContact CB-CH2 4.33Å; A81-W182 HydrophobicContact CB-CZ3 3.71Å
82D97.2Very high93.5Very high56 Ų5656.2 Ų56.230%0.29929%0.285SS..EExtended strand (participates in β ladder)trans-67.8160.7170-65-22.4000110.4P57 V58 Y59 Y84P57-D82 PolarHBondContact O-N 3.39Å; V58-D82 CarbonylContact C-O 3.2Å; V58-D82 VanDerWaalsContact CA-O 3.3Å; V58-D82 WeakPolarHBondContact CA-O 3.36Å; V58-D82 HydrophobicContact CB-CB 4.16Å; V58-D82 HydrophobicContact CG2-CB 3.91Å; Y59-D82 PolarHBondContact N-O 2.9Å; D82-Y84 HydrophobicContact CB-CD2 4.2Å; D82-Y84 HydrophobicContact CB-CE2 3.79Å
83F96.1Very high93.9Very high16 Ų1656.1 Ų56.17%0.0728%0.283CS..EExtended strand (participates in β ladder)trans-130.3128.2175-167.8-83.9000111.5Y59 V61 E73 L76 E77 R85 I92Y59-F83 WeakPolarHBondContact O-CA 3.47Å; V61-F83 HydrophobicContact CG2-CE1 3.94Å; V61-F83 HydrophobicContact CG2-CE2 4.03Å; V61-F83 HydrophobicContact CG2-CZ 3.37Å; E73-F83 HydrophobicContact CB-CD1 4.22Å; E73-F83 HydrophobicContact CB-CD2 4.28Å; E73-F83 HydrophobicContact CB-CE1 4.09Å; E73-F83 HydrophobicContact CB-CE2 4.16Å; E73-F83 HydrophobicContact CB-CG 4.3Å; E73-F83 HydrophobicContact CB-CZ 4.04Å; E73-F83 VanDerWaalsContact CD-CD1 3.47Å; E73-F83 HydrophobicContact CG-CB 4.16Å; E73-F83 HydrophobicContact CG-CD1 3.57Å; E73-F83 HydrophobicContact CG-CD2 4.19Å; E73-F83 HydrophobicContact CG-CE1 3.88Å; E73-F83 HydrophobicContact CG-CE2 4.47Å; E73-F83 HydrophobicContact CG-CG 3.72Å; E73-F83 HydrophobicContact CG-CZ 4.3Å; E73-F83 WeakPolarHBondContact OE1-CD1 3.27Å; L76-F83 HydrophobicContact CB-CD2 4.49Å; L76-F83 HydrophobicContact CD1-CD2 4.1Å; L76-F83 HydrophobicContact CD1-CE2 3.89Å; E77-F83 HydrophobicContact CG-CB 4Å; F83-R85 HydrophobicContact CE1-CG 4.43Å; F83-I92 HydrophobicContact CE2-CD1 4.12Å
84Y95.7Very high94.2Very high72 Ų7254 Ų5428%0.28227%0.273SS..EExtended strand (participates in β ladder)trans-135.2142.1-179.7-75-94.4000112.7Y19 D20 V58 Y59 T60 V61 D82Y19-Y84 HydrophobicContact CD1-CD1 4.03Å; Y19-Y84 AromaticContact CD1-CD2 3.69Å; Y19-Y84 HydrophobicContact CD1-CD2 3.69Å; Y19-Y84 HydrophobicContact CD1-CE2 4.26Å; Y19-Y84 AromaticContact CD1-CG 3.56Å; Y19-Y84 HydrophobicContact CD1-CG 3.56Å; Y19-Y84 HydrophobicContact CE1-CG 4.15Å; Y19-Y84 HydrophobicContact CG-CD2 4.21Å; Y19-Y84 HydrophobicContact CG-CG 4.5Å; D20-Y84 HydrophobicContact CB-CE1 4.27Å; V58-Y84 HydrophobicContact CG2-CD2 3.72Å; V58-Y84 HydrophobicContact CG2-CE2 4.37Å; Y59-Y84 PolarHBondContact O-N 2.97Å; T60-Y84 CarbonylContact C-O 3.58Å; T60-Y84 VanDerWaalsContact CA-O 3.25Å; T60-Y84 WeakPolarHBondContact CA-O 3.43Å; V61-Y84 PolarHBondContact N-O 3.04Å; D82-Y84 HydrophobicContact CB-CD2 4.2Å; D82-Y84 HydrophobicContact CB-CE2 3.79Å
85R94.7Very high94.6Very high124 Ų12444.6 Ų44.647%0.46824%0.238SC..EExtended strand (participates in β ladder)trans-95.5139.6164.1-66.7175.3-176.873.80.2109.1V61 D70 E73 F83V61-R85 HydrophobicContact CB-CG 4.39Å; D70-R85 IonicContact OD1-CZ 3.56Å; D70-R85 IonicContact OD1-NE 3.02Å; D70-R85 PolarHBondContact OD1-NE 3.13Å; D70-R85 IonicContact OD1-NH2 3.96Å; D70-R85 PolarHBondContact OD1-NH2 2.95Å; E73-R85 IonicContact OE1-CZ 2.68Å; E73-R85 IonicContact OE1-NH1 2.77Å; E73-R85 PolarHBondContact OE1-NH1 3.34Å; E73-R85 IonicContact OE1-NH2 3.48Å; E73-R85 IonicContact OE2-CZ 3.77Å; E73-R85 IonicContact OE2-NH1 3.82Å; E73-R85 PolarHBondContact OE2-NH1 3.29Å; E73-R85 VanDerWaalsContact OE2-NH1 3.11Å; E73-R85 IonicContact OE2-NH2 2.62Å; E73-R85 PolarHBondContact OE2-NH2 3.42Å; F83-R85 HydrophobicContact CE1-CG 4.43Å
86T94.9Very high94.8Very high19 Ų1939.2 Ų39.212%0.11722%0.217CC..  trans-140.1156.6-166.370.10000110.5Y19 T60 V61 R88Y19-T86 HydrophobicContact CE1-CG2 3.61Å; Y19-T86 VanDerWaalsContact OH-CG2 3.25Å; Y19-T86 WeakPolarHBondContact OH-CG2 3.47Å; T60-T86 HydrophobicContact CG2-CG2 4.3Å; V61-T86 PolarHBondContact O-N 2.84Å; V61-T86 PolarHBondContact O-OG1 2.89Å; T86-R88 VanDerWaalsContact C-N 3.26Å; T86-R88 PolarHBondContact O-N 2.84Å; T86-R88 WeakPolarHBondContact OG1-CG 3.47Å
87D94.2Very high95Very high77 Ų7742.2 Ų42.241%0.41224%0.237SC..SBendtrans-87.48.817866-9.9000113.2R162 H170D87-R162 WeakPolarHBondContact OD2-CD 3.29Å; D87-R162 IonicContact OD2-CZ 3.38Å; D87-R162 IonicContact OD2-NE 3.11Å; D87-R162 PolarHBondContact OD2-NE 3.42Å; D87-R162 IonicContact OD2-NH1 2.73Å; D87-H170 IonicContact OD1-CD2 3.69Å; D87-H170 IonicContact OD1-CE1 2.91Å; D87-H170 PolarHBondContact OD1-CE1 2.94Å; D87-H170 IonicContact OD1-NE2 3.89Å; D87-H170 PolarHBondContact OD1-NE2 2.88Å
88R94.1Very high95.2Very high16 Ų1638.5 Ų38.56%0.0622%0.223CC..SBendtrans-71.4148.2175.983.5-175.3167.749.96.1111.1T60 G62 V63 T86 L91 H170T60-R88 VanDerWaalsContact C-NH2 3.35Å; T60-R88 PolarHBondContact O-NH2 2.9Å; T60-R88 PolarHBondContact OG1-NE 2.95Å; T60-R88 PolarHBondContact OG1-NH2 3.29Å; G62-R88 CarbonylContact C-O 3.49Å; G62-R88 WeakPolarHBondContact CA-O 3.2Å; V63-R88 PolarHBondContact N-O 2.92Å; T86-R88 VanDerWaalsContact C-N 3.26Å; T86-R88 PolarHBondContact O-N 2.84Å; T86-R88 WeakPolarHBondContact OG1-CG 3.47Å; R88-L91 PolarHBondContact NH1-O 2.9Å; R88-L91 PolarHBondContact NH2-O 2.99Å; R88-H170 HydrophobicContact CB-CB 4.02Å; R88-H170 WeakPolarHBondContact CB-CD2 3.48Å; R88-H170 VanDerWaalsContact CB-CG 3.47Å
89G91.9Very high95.4Very high22 Ų2233 Ų3323%0.22719%0.186CC..SBendtrans-61147.1166.900000112.1G160 L161G89-G160 WeakPolarHBondContact O-CA 3.38Å; G89-L161 PolarHBondContact N-O 3.34Å
90G90Very high95.6Very high8 Ų829.7 Ų29.78%0.08217%0.168CC..SBendtrans112.4-177.1176.300000113.7G62 R64G62-G90 CarbonylContact C-O 3.46Å; G62-G90 VanDerWaalsContact CA-O 3.32Å; G62-G90 WeakPolarHBondContact CA-O 3.4Å; R64-G90 WeakPolarHBondContact CB-O 3.31Å; R64-G90 PolarHBondContact N-O 2.86Å; R64-G90 VanDerWaalsContact N-O 3.08Å
91L91Very high95.8Very high45 Ų4527.3 Ų27.324%0.23614%0.144CC..SBendtrans-96.6-158.1-179.3-63.6168.5000109.6G62 R64 R88 C189 G190G62-L91 PolarHBondContact N-O 3.1Å; G62-L91 VanDerWaalsContact N-O 3.17Å; R64-L91 HydrophobicContact CB-CD2 4Å; R64-L91 WeakPolarHBondContact O-CD2 3.31Å; R88-L91 PolarHBondContact NH1-O 2.9Å; R88-L91 PolarHBondContact NH2-O 2.99Å; L91-C189 VanDerWaalsContact CD1-C 3.41Å; L91-G190 VanDerWaalsContact CD1-N 3.26Å
92I93.3Very high95.9Very high16 Ų1627.2 Ų27.28%0.08214%0.143CC..EExtended strand (participates in β ladder)trans-65146.6170.2-169161.8000111.4T60 V61 A69 L76 F83 I186 P188T60-I92 CarbonylContact O-C 3.53Å; T60-I92 WeakPolarHBondContact O-CA 3.31Å; V61-I92 HydrophobicContact CG2-CB 4.26Å; V61-I92 HydrophobicContact CG2-CD1 4.07Å; V61-I92 HydrophobicContact CG2-CG1 4.08Å; A69-I92 HydrophobicContact CB-CD1 4.14Å; L76-I92 HydrophobicContact CD1-CD1 3.93Å; F83-I92 HydrophobicContact CE2-CD1 4.12Å; I92-I186 HydrophobicContact CD1-CB 4.37Å; I92-I186 HydrophobicContact CD1-CG2 3.61Å; I92-I186 HydrophobicContact CG1-CB 4.45Å; I92-I186 HydrophobicContact CG1-CD1 4.18Å; I92-I186 HydrophobicContact CG1-CG2 4.08Å; I92-I186 HydrophobicContact CG2-CB 4.01Å; I92-I186 HydrophobicContact CG2-CD1 4.28Å; I92-I186 HydrophobicContact CG2-CG2 4.44Å; I92-P188 VanDerWaalsContact O-CA 3.28Å; I92-P188 WeakPolarHBondContact O-CA 3.48Å
93T94.9Very high96Very high10 Ų1024.9 Ų24.96%0.06113%0.13CC..EExtended strand (participates in β ladder)trans-150.6166.6168-164.90000109.4Y59 T60 H95Y59-T93 WeakPolarHBondContact CA-O 3.46Å; T60-T93 PolarHBondContact N-O 2.91Å; T60-T93 PolarHBondContact O-N 2.87Å; T93-H95 WeakPolarHBondContact CG2-NE2 3.35Å
94F96.6Very high96.1Very high1 Ų124.1 Ų24.10%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-105.8145.4169.9178.9-105.4000111.4P57 V58 Y59 A81 Q99 I178 W182 F183 I186P57-F94 HydrophobicContact CB-CE2 3.87Å; P57-F94 HydrophobicContact CB-CZ 3.89Å; V58-F94 WeakPolarHBondContact O-CA 3.37Å; V58-F94 WeakPolarHBondContact O-CD2 3.45Å; Y59-F94 HydrophobicContact CD1-CB 3.97Å; Y59-F94 HydrophobicContact CD1-CD2 4.04Å; Y59-F94 HydrophobicContact CD2-CD2 4.21Å; Y59-F94 HydrophobicContact CE1-CB 3.76Å; Y59-F94 AromaticContact CE1-CD2 3.81Å; Y59-F94 HydrophobicContact CE1-CD2 3.81Å; Y59-F94 HydrophobicContact CE1-CG 4.16Å; Y59-F94 AromaticContact CE2-CD2 3.99Å; Y59-F94 HydrophobicContact CE2-CD2 3.99Å; Y59-F94 HydrophobicContact CE2-CE2 4.4Å; Y59-F94 HydrophobicContact CG-CD2 4.26Å; Y59-F94 AromaticContact CZ-CD2 3.79Å; A81-F94 HydrophobicContact CB-CE2 4.33Å; F94-Q99 PolarHBondContact O-NE2 2.89Å; F94-I178 HydrophobicContact CD1-CD1 3.84Å; F94-I178 HydrophobicContact CE1-CD1 3.72Å; F94-I178 HydrophobicContact CE1-CG1 4.33Å; F94-W182 HydrophobicContact CB-CB 4.34Å; F94-W182 HydrophobicContact CD1-CB 3.32Å; F94-W182 AromaticContact CD1-CG 3.82Å; F94-W182 HydrophobicContact CD1-CG 3.82Å; F94-W182 HydrophobicContact CD2-CB 3.87Å; F94-W182 HydrophobicContact CD2-CD2 4.24Å; F94-W182 HydrophobicContact CD2-CE3 4.09Å; F94-W182 HydrophobicContact CD2-CG 4.18Å; F94-W182 HydrophobicContact CE1-CB 3.39Å; F94-W182 AromaticContact CE1-CD1 3.51Å; F94-W182 AromaticContact CE1-CD2 3.94Å; F94-W182 HydrophobicContact CE1-CD2 3.94Å; F94-W182 AromaticContact CE1-CG 3.29Å; F94-W182 HydrophobicContact CE1-CG 3.29Å; F94-W182 HydrophobicContact CE2-CB 3.92Å; F94-W182 AromaticContact CE2-CD2 3.49Å; F94-W182 HydrophobicContact CE2-CD2 3.49Å; F94-W182 VanDerWaalsContact CE2-CD2 3.49Å; F94-W182 AromaticContact CE2-CE3 3.47Å; F94-W182 HydrophobicContact CE2-CE3 3.47Å; F94-W182 VanDerWaalsContact CE2-CE3 3.47Å; F94-W182 AromaticContact CE2-CG 3.7Å; F94-W182 HydrophobicContact CE2-CG 3.7Å; F94-W182 HydrophobicContact CE2-CZ3 4.21Å; F94-W182 HydrophobicContact CG-CB 3.57Å; F94-W182 HydrophobicContact CG-CG 4.22Å; F94-W182 HydrophobicContact CZ-CB 3.7Å; F94-W182 AromaticContact CZ-CD1 3.59Å; F94-W182 AromaticContact CZ-CD2 3.32Å; F94-W182 HydrophobicContact CZ-CD2 3.32Å; F94-W182 AromaticContact CZ-CE2 3.76Å; F94-W182 AromaticContact CZ-CE3 3.83Å; F94-W182 HydrophobicContact CZ-CE3 3.83Å; F94-W182 AromaticContact CZ-CG 3.23Å; F94-W182 HydrophobicContact CZ-CG 3.23Å; F94-W182 AromaticContact CZ-NE1 3.91Å; F94-F183 HydrophobicContact CB-CD1 4.08Å; F94-F183 HydrophobicContact CB-CE1 3.85Å; F94-F183 HydrophobicContact CB-CZ 4.22Å; F94-F183 HydrophobicContact CD1-CE2 4.38Å; F94-F183 HydrophobicContact CD1-CZ 4.34Å; F94-I186 HydrophobicContact CB-CD1 4.46Å
95H98.4Very high96.2Very high12 Ų1220.7 Ų20.76%0.05611%0.113CC..EExtended strand (participates in β ladder)trans-128.2145.4164.1-54.9-66.8000109.6H55 P57 V58 T93 Q99 V101H55-H95 HydrophobicContact CB-CB 4.12Å; P57-H95 CarbonylContact C-O 3.58Å; P57-H95 WeakPolarHBondContact CA-O 3.49Å; V58-H95 HydrophobicContact CG1-CB 3.78Å; V58-H95 PolarHBondContact N-O 3.41Å; V58-H95 PolarHBondContact O-N 2.81Å; T93-H95 WeakPolarHBondContact CG2-NE2 3.35Å; H95-Q99 VanDerWaalsContact CA-OE1 3.25Å; H95-Q99 PolarHBondContact ND1-OE1 3.12Å; H95-V101 HydrophobicContact CB-CG2 4.39Å
96G98.3Very high96.4Very high0 Ų014.8 Ų14.80%09%0.091CC..  trans-174.9-175-178.500000113.1H55 Q99H55-G96 CarbonylContact O-C 3.56Å; H55-G96 VanDerWaalsContact O-CA 3.26Å; H55-G96 WeakPolarHBondContact O-CA 3.44Å; G96-Q99 WeakPolarHBondContact O-CB 3.25Å; G96-Q99 PolarHBondContact O-N 2.85Å
97P98.6Very high96.4Very high63 Ų6315.3 Ų15.341%0.4099%0.092SC..THydrogen-bonded Turntrans-53.8138.6177.2-26.936000112.7E54 I178E54-P97 WeakPolarHBondContact OE1-CA 3.3Å; P97-I178 WeakPolarHBondContact O-CA 3.21Å; P97-I178 WeakPolarHBondContact O-CG1 3.38Å
98G98.7Very high96.5Very high12 Ų1211.6 Ų11.612%0.1247%0.072CC..THydrogen-bonded Turntrans85.32.9-176.800000114.9E54 C176 D177 I178E54-G98 PolarHBondContact OE1-N 3.28Å; G98-C176 CarbonylContact O-C 3.52Å; G98-C176 WeakPolarHBondContact O-CA 3.25Å; G98-C176 VanDerWaalsContact O-CB 3.27Å; G98-C176 WeakPolarHBondContact O-CB 3.43Å; G98-C176 PolarHBondContact O-N 2.9Å; G98-D177 WeakPolarHBondContact CA-O 3.19Å; G98-D177 PolarHBondContact O-N 3.5Å; G98-I178 PolarHBondContact O-N 3.34Å
99Q98.8Very high96.5Very high1 Ų114 Ų141%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-113.2124.2174.7-172.7-17274.700111.6F94 H95 G96 V101 A173 L174 N175 I178 I209F94-Q99 PolarHBondContact O-NE2 2.89Å; H95-Q99 VanDerWaalsContact CA-OE1 3.25Å; H95-Q99 PolarHBondContact ND1-OE1 3.12Å; G96-Q99 WeakPolarHBondContact O-CB 3.25Å; G96-Q99 PolarHBondContact O-N 2.85Å; Q99-V101 HydrophobicContact CG-CG2 4.39Å; Q99-V101 PolarHBondContact O-N 2.85Å; Q99-A173 HydrophobicContact CG-CB 4.19Å; Q99-L174 WeakPolarHBondContact CA-O 3.28Å; Q99-L174 WeakPolarHBondContact CG-O 3.5Å; Q99-N175 PolarHBondContact NE2-OD1 3.02Å; Q99-I178 HydrophobicContact CB-CB 4.32Å; Q99-I178 HydrophobicContact CB-CD1 3.62Å; Q99-I178 HydrophobicContact CG-CD1 4.36Å; Q99-I209 VanDerWaalsContact C-CD1 3.46Å; Q99-I209 VanDerWaalsContact O-CD1 3.31Å; Q99-I209 WeakPolarHBondContact O-CD1 3.37Å
100L98.9Very high96.6Very high0 Ų014.7 Ų14.70%09%0.088CC..EExtended strand (participates in β ladder)trans-77112.6171173.459.2000109W13 M52 V102 A173 L174 I209 V212 F216W13-L100 HydrophobicContact CZ3-CD1 3.95Å; M52-L100 HydrophobicContact CB-CD1 4.17Å; L100-V102 HydrophobicContact CD1-CG2 3.9Å; L100-V102 HydrophobicContact CD2-CG2 4.16Å; L100-V102 HydrophobicContact CG-CG2 3.76Å; L100-A173 CarbonylContact O-C 3.22Å; L100-A173 WeakPolarHBondContact O-CA 3.33Å; L100-L174 HydrophobicContact CB-CB 4.49Å; L100-L174 PolarHBondContact N-O 2.85Å; L100-L174 PolarHBondContact O-N 3.02Å; L100-I209 HydrophobicContact CB-CG1 4.3Å; L100-I209 HydrophobicContact CB-CG2 3.99Å; L100-I209 HydrophobicContact CD1-CG2 3.82Å; L100-I209 HydrophobicContact CG-CG2 4.38Å; L100-V212 HydrophobicContact CD2-CB 4.41Å; L100-V212 HydrophobicContact CD2-CG1 3.76Å; L100-F216 HydrophobicContact CD2-CB 4.3Å; L100-F216 HydrophobicContact CD2-CD2 4.46Å; L100-F216 HydrophobicContact CD2-CG 4.29Å
101V98.9Very high96.8Very high1 Ų115.9 Ų15.91%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-100.9131.4171.7179.10000108.9M52 L53 H95 Q99 Y103 V172 A173M52-V101 WeakPolarHBondContact CA-O 3.38Å; L53-V101 HydrophobicContact CG-CB 4.2Å; L53-V101 HydrophobicContact CG-CG1 4.41Å; L53-V101 PolarHBondContact N-O 2.99Å; L53-V101 PolarHBondContact O-N 2.93Å; H95-V101 HydrophobicContact CB-CG2 4.39Å; Q99-V101 HydrophobicContact CG-CG2 4.39Å; Q99-V101 PolarHBondContact O-N 2.85Å; V101-Y103 HydrophobicContact CG1-CD1 4.05Å; V101-Y103 HydrophobicContact CG1-CE1 3.29Å; V101-Y103 HydrophobicContact CG1-CE2 4.23Å; V101-Y103 VanDerWaalsContact CG1-CZ 3.42Å; V101-V172 WeakPolarHBondContact CA-O 3.48Å; V101-A173 HydrophobicContact CG2-CB 4.27Å
102V98.9Very high97Very high1 Ų116.8 Ų16.81%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-129.1127-178.7-173.20000110.2V50 L51 M52 L100 P104 G171 V172 F216V50-V102 HydrophobicContact CG1-CG1 3.42Å; V50-V102 VanDerWaalsContact CG1-CG1 3.42Å; L51-V102 CarbonylContact O-C 3.55Å; L51-V102 VanDerWaalsContact O-CA 3.25Å; L51-V102 WeakPolarHBondContact O-CA 3.44Å; M52-V102 HydrophobicContact CG-CG1 4Å; M52-V102 HydrophobicContact CG-CG2 4.03Å; L100-V102 HydrophobicContact CD1-CG2 3.9Å; L100-V102 HydrophobicContact CD2-CG2 4.16Å; L100-V102 HydrophobicContact CG-CG2 3.76Å; V102-P104 HydrophobicContact CG1-CG 4.32Å; V102-P104 WeakPolarHBondContact O-CD 3.5Å; V102-G171 WeakPolarHBondContact O-CA 3.31Å; V102-V172 HydrophobicContact CB-CG2 3.8Å; V102-V172 HydrophobicContact CG2-CG2 4.23Å; V102-V172 PolarHBondContact N-O 3.08Å; V102-V172 PolarHBondContact O-N 3.17Å; V102-F216 HydrophobicContact CB-CE1 4.28Å; V102-F216 HydrophobicContact CB-CZ 4.02Å; V102-F216 HydrophobicContact CG1-CE1 3.75Å; V102-F216 HydrophobicContact CG1-CZ 3.82Å; V102-F216 HydrophobicContact CG2-CD1 4.38Å; V102-F216 HydrophobicContact CG2-CE1 3.89Å; V102-F216 HydrophobicContact CG2-CE2 4.23Å; V102-F216 HydrophobicContact CG2-CZ 3.79Å
103Y98.7Very high96.9Very high7 Ų720.2 Ų20.23%0.02712%0.12CC..EExtended strand (participates in β ladder)trans-113.394.2173.9-49.6-41000111.4Q26 L51 L53 H55 V101 I105 H170Q26-Y103 HydrophobicContact CG-CD2 3.53Å; Q26-Y103 HydrophobicContact CG-CE2 4.24Å; Q26-Y103 HydrophobicContact CG-CG 3.92Å; Q26-Y103 VanDerWaalsContact NE2-CE2 3.32Å; L51-Y103 PolarHBondContact N-O 2.77Å; L51-Y103 PolarHBondContact O-N 2.85Å; L53-Y103 HydrophobicContact CD1-CE2 3.94Å; L53-Y103 HydrophobicContact CD2-CD2 3.65Å; L53-Y103 HydrophobicContact CD2-CE2 3.73Å; L53-Y103 HydrophobicContact CD2-CG 4.39Å; L53-Y103 HydrophobicContact CG-CE2 4.42Å; H55-Y103 AromaticContact NE2-CZ 3.82Å; H55-Y103 PolarHBondContact NE2-OH 3.03Å; V101-Y103 HydrophobicContact CG1-CD1 4.05Å; V101-Y103 HydrophobicContact CG1-CE1 3.29Å; V101-Y103 HydrophobicContact CG1-CE2 4.23Å; V101-Y103 VanDerWaalsContact CG1-CZ 3.42Å; Y103-I105 PolarHBondContact O-N 2.78Å; Y103-H170 WeakPolarHBondContact CA-O 3.46Å
104P98.6Very high96.7Very high0 Ų024.4 Ų24.40%015%0.149CC..EExtended strand (participates in β ladder)trans-74.3108.9169.7-10.227.5000109.3V50 V102 L106 Y120 L124 S168 H170 F220V50-P104 HydrophobicContact CG2-CB 4.19Å; V102-P104 HydrophobicContact CG1-CG 4.32Å; V102-P104 WeakPolarHBondContact O-CD 3.5Å; P104-L106 HydrophobicContact CB-CD1 3.79Å; P104-L106 HydrophobicContact CB-CD2 4.33Å; P104-L106 HydrophobicContact CB-CG 3.77Å; P104-Y120 WeakPolarHBondContact CB-OH 3.18Å; P104-L124 HydrophobicContact CG-CD2 4.23Å; P104-S168 PolarHBondContact O-OG 3.46Å; P104-H170 WeakPolarHBondContact CD-O 3.3Å; P104-F220 HydrophobicContact CB-CE2 4.24Å; P104-F220 HydrophobicContact CB-CZ 4.08Å; P104-F220 HydrophobicContact CG-CE2 3.97Å; P104-F220 HydrophobicContact CG-CZ 4.33Å
105I98.4Very high96.5Very high0 Ų029.5 Ų29.50%018%0.182CC..EExtended strand (participates in β ladder)trans-96.789.4172.7-48.6-54.4000107.6Q26 C29 H30 L33 T49 L51 Y103 I167 S168Q26-I105 HydrophobicContact CB-CD1 3.98Å; Q26-I105 HydrophobicContact CG-CD1 3.95Å; C29-I105 HydrophobicContact CB-CB 4.06Å; C29-I105 HydrophobicContact CB-CG1 4.03Å; C29-I105 HydrophobicContact CB-CG2 3.97Å; H30-I105 HydrophobicContact CB-CG2 4.16Å; L33-I105 HydrophobicContact CD2-CG2 4.45Å; T49-I105 PolarHBondContact N-O 3.06Å; T49-I105 PolarHBondContact O-N 3.33Å; L51-I105 HydrophobicContact CD1-CG1 4.33Å; Y103-I105 PolarHBondContact O-N 2.78Å; I105-I167 HydrophobicContact CG2-CG2 4.25Å; I105-S168 WeakPolarHBondContact CA-O 3.21Å; I105-S168 WeakPolarHBondContact CD1-O 3.34Å
106L98Very high96.4Very high0 Ų030.7 Ų30.70%019%0.187CC..  trans-123.6143.3-168.1-52.7177.9000110.9N48 V50 P104 L108 F111 Y120 I167 S168 F220 F224N48-L106 HydrophobicContact CB-CD2 3.95Å; N48-L106 WeakPolarHBondContact OD1-CA 3.2Å; V50-L106 HydrophobicContact CG2-CD2 4.44Å; P104-L106 HydrophobicContact CB-CD1 3.79Å; P104-L106 HydrophobicContact CB-CD2 4.33Å; P104-L106 HydrophobicContact CB-CG 3.77Å; L106-L108 HydrophobicContact CB-CD2 4.06Å; L106-L108 HydrophobicContact CD1-CD2 4.38Å; L106-L108 PolarHBondContact O-N 2.8Å; L106-F111 HydrophobicContact CB-CE2 3.93Å; L106-F111 HydrophobicContact CD1-CE2 4.28Å; L106-F111 HydrophobicContact CD1-CZ 4.34Å; L106-F111 HydrophobicContact CD2-CE2 4.28Å; L106-F111 HydrophobicContact CD2-CZ 4.05Å; L106-F111 HydrophobicContact CG-CE2 4.39Å; L106-Y120 HydrophobicContact CD1-CE2 4.13Å; L106-I167 VanDerWaalsContact O-CA 3.24Å; L106-I167 WeakPolarHBondContact O-CA 3.45Å; L106-S168 PolarHBondContact N-OG 2.82Å; L106-S168 VanDerWaalsContact N-OG 3.09Å; L106-S168 PolarHBondContact O-N 2.94Å; L106-S168 PolarHBondContact O-OG 3.22Å; L106-F220 HydrophobicContact CD1-CZ 4.06Å; L106-F224 HydrophobicContact CD1-CD1 4.16Å; L106-F224 HydrophobicContact CD1-CE1 3.96Å
107H96.1Very high96.2Very high29 Ų2933.4 Ų33.413%0.13421%0.207CC..BIsolated β-bridgetrans-83.896.9163-179-123.1000108L33 L37 Y44 N48 P109 D110 F111L33-H107 HydrophobicContact CD1-CB 4.14Å; L33-H107 HydrophobicContact CD2-CB 4.07Å; L33-H107 HydrophobicContact CG-CB 4.38Å; L37-H107 HydrophobicContact CD1-CB 4.44Å; L37-H107 HydrophobicContact CD2-CB 4.36Å; Y44-H107 PolarHBondContact OH-ND1 2.76Å; N48-H107 PolarHBondContact OD1-N 3Å; H107-P109 VanDerWaalsContact C-N 3.31Å; H107-D110 IonicContact CE1-OD1 2.84Å; H107-D110 IonicContact CG-OD1 2.71Å; H107-D110 IonicContact ND1-OD1 3.84Å; H107-D110 PolarHBondContact ND1-OD1 3.31Å; H107-D110 IonicContact ND1-OD2 3.34Å; H107-D110 VanDerWaalsContact O-CB 3.3Å; H107-D110 WeakPolarHBondContact O-CB 3.39Å; H107-D110 PolarHBondContact O-N 2.95Å; H107-F111 WeakPolarHBondContact O-CD2 3.48Å
108L96.3Very high96Very high0 Ų039.2 Ų39.20%023%0.225CC..G310 helixtrans-57.5-32.7-172.5-60.7-175.1000114.9L106 D110 F111 H112 F116 W119 Y120 L163 G166L106-L108 HydrophobicContact CB-CD2 4.06Å; L106-L108 HydrophobicContact CD1-CD2 4.38Å; L106-L108 PolarHBondContact O-N 2.8Å; L108-D110 PolarHBondContact O-N 3.38Å; L108-D110 VanDerWaalsContact O-N 3.17Å; L108-F111 PolarHBondContact O-N 3.39Å; L108-H112 PolarHBondContact O-N 3.38Å; L108-F116 HydrophobicContact CB-CB 4.2Å; L108-F116 HydrophobicContact CB-CD1 4.19Å; L108-F116 HydrophobicContact CB-CD2 3.77Å; L108-F116 HydrophobicContact CB-CE2 4.21Å; L108-F116 HydrophobicContact CB-CG 3.77Å; L108-F116 HydrophobicContact CD1-CD2 3.32Å; L108-F116 HydrophobicContact CD1-CE2 3.78Å; L108-F116 HydrophobicContact CD1-CG 4.09Å; L108-F116 HydrophobicContact CG-CD2 4.19Å; L108-W119 HydrophobicContact CD2-CZ3 4.34Å; L108-Y120 HydrophobicContact CD1-CD1 3.98Å; L108-Y120 HydrophobicContact CD1-CG 3.99Å; L108-Y120 HydrophobicContact CD2-CD1 4.33Å; L108-Y120 HydrophobicContact CD2-CD2 3.71Å; L108-Y120 HydrophobicContact CD2-CE1 4.5Å; L108-Y120 HydrophobicContact CD2-CE2 3.92Å; L108-Y120 HydrophobicContact CD2-CG 3.94Å; L108-L163 HydrophobicContact CD1-CD1 4.06Å; L108-L163 HydrophobicContact CD1-CD2 3.55Å; L108-L163 HydrophobicContact CD1-CG 4.44Å; L108-G166 WeakPolarHBondContact CB-O 3.33Å; L108-G166 PolarHBondContact N-O 2.99Å
109P94Very high95.9Very high65 Ų6541 Ų4142%0.42223%0.228SC..G310 helixtrans-58.7-20.4172.2-27.336.5000115.4H107 F111 F116H107-P109 VanDerWaalsContact C-N 3.31Å; P109-F111 PolarHBondContact O-N 2.88Å; P109-F116 HydrophobicContact CG-CD1 4.46Å; P109-F116 HydrophobicContact CG-CE1 4.05Å
110D92.7Very high95.9Very high38 Ų3841 Ų4120%0.20323%0.228CC..G310 helixtrans-67.7-25.3172.7-66.8-7.9000111.9V7 Y44 T46 N48 H107 L108V7-D110 HydrophobicContact CG1-CB 4.09Å; V7-D110 HydrophobicContact CG2-CB 4.34Å; V7-D110 VanDerWaalsContact CG2-O 3.31Å; V7-D110 WeakPolarHBondContact CG2-O 3.48Å; Y44-D110 PolarHBondContact OH-OD1 2.93Å; T46-D110 WeakPolarHBondContact CB-OD2 3.44Å; T46-D110 VanDerWaalsContact CG2-OD2 3.29Å; T46-D110 WeakPolarHBondContact CG2-OD2 3.3Å; T46-D110 PolarHBondContact OG1-OD2 3.13Å; N48-D110 PolarHBondContact ND2-OD2 3.22Å; H107-D110 IonicContact CE1-OD1 2.84Å; H107-D110 IonicContact CG-OD1 2.71Å; H107-D110 IonicContact ND1-OD1 3.84Å; H107-D110 PolarHBondContact ND1-OD1 3.31Å; H107-D110 IonicContact ND1-OD2 3.34Å; H107-D110 VanDerWaalsContact O-CB 3.3Å; H107-D110 WeakPolarHBondContact O-CB 3.39Å; H107-D110 PolarHBondContact O-N 2.95Å; L108-D110 PolarHBondContact O-N 3.38Å; L108-D110 VanDerWaalsContact O-N 3.17Å
111F94.4Very high95.8Very high33 Ų3342.6 Ų42.615%0.14524%0.238CC..THydrogen-bonded Turntrans-109.3-32.1-171-57.5-95.7000113V7 V9 N48 L106 H107 L108 P109 W119 F224 C226V7-F111 HydrophobicContact CB-CD1 4.13Å; V7-F111 HydrophobicContact CB-CE1 3.68Å; V7-F111 HydrophobicContact CB-CZ 4.02Å; V7-F111 HydrophobicContact CG1-CD1 4.41Å; V7-F111 HydrophobicContact CG1-CE1 3.72Å; V7-F111 HydrophobicContact CG1-CE2 4.05Å; V7-F111 HydrophobicContact CG1-CZ 3.5Å; V7-F111 VanDerWaalsContact CG1-CZ 3.5Å; V7-F111 HydrophobicContact CG2-CD1 4.05Å; V7-F111 HydrophobicContact CG2-CE1 4.11Å; V7-F111 HydrophobicContact CG2-CG 4.49Å; V9-F111 HydrophobicContact CG2-CE1 4.15Å; V9-F111 HydrophobicContact CG2-CZ 3.9Å; N48-F111 HydrophobicContact CB-CZ 4.38Å; L106-F111 HydrophobicContact CB-CE2 3.93Å; L106-F111 HydrophobicContact CD1-CE2 4.28Å; L106-F111 HydrophobicContact CD1-CZ 4.34Å; L106-F111 HydrophobicContact CD2-CE2 4.28Å; L106-F111 HydrophobicContact CD2-CZ 4.05Å; L106-F111 HydrophobicContact CG-CE2 4.39Å; H107-F111 WeakPolarHBondContact O-CD2 3.48Å; L108-F111 PolarHBondContact O-N 3.39Å; P109-F111 PolarHBondContact O-N 2.88Å; F111-W119 HydrophobicContact CB-CH2 3.35Å; F111-W119 HydrophobicContact CB-CZ2 4.05Å; F111-W119 HydrophobicContact CB-CZ3 4.02Å; F111-W119 HydrophobicContact CG-CH2 4.21Å; F111-F224 HydrophobicContact CD1-CB 4.31Å; F111-F224 HydrophobicContact CD1-CD1 4.3Å; F111-F224 WeakPolarHBondContact CD1-O 3.25Å; F111-F224 HydrophobicContact CE1-CB 4.48Å; F111-C226 HydrophobicContact CE1-CB 3.88Å
112H94.6Very high95.8Very high64 Ų6447.1 Ų47.130%0.29626%0.259SS..SBendtrans-154.1144-174.6-165.6-81.7000112.1L108 F116 W119L108-H112 PolarHBondContact O-N 3.38Å; H112-F116 HydrophobicContact CB-CB 4.39Å; H112-W119 HydrophobicContact CB-CD2 3.48Å; H112-W119 VanDerWaalsContact CB-CD2 3.48Å; H112-W119 HydrophobicContact CB-CE3 3.47Å; H112-W119 VanDerWaalsContact CB-CE3 3.47Å; H112-W119 HydrophobicContact CB-CG 4.07Å; H112-W119 HydrophobicContact CB-CH2 4.1Å; H112-W119 HydrophobicContact CB-CZ2 4.07Å; H112-W119 HydrophobicContact CB-CZ3 3.79Å; H112-W119 AromaticContact CD2-CD1 3.2Å; H112-W119 AromaticContact CD2-CD2 3.61Å; H112-W119 AromaticContact CD2-CE2 3.72Å; H112-W119 AromaticContact CD2-CG 3.31Å; H112-W119 AromaticContact CD2-NE1 3.42Å; H112-W119 PolarHBondContact CD2-NE1 2.99Å; H112-W119 AromaticContact CG-CD1 3.91Å; H112-W119 AromaticContact CG-CD2 3.53Å; H112-W119 AromaticContact CG-CE2 3.94Å; H112-W119 AromaticContact CG-CE3 3.95Å; H112-W119 AromaticContact CG-CG 3.55Å; H112-W119 AromaticContact NE2-CD1 3.6Å; H112-W119 AromaticContact NE2-CG 3.72Å
113S92.8Very high95.8Very high88 Ų8847.4 Ų47.462%0.61526%0.261SS*.PPolyproline II helixtrans-67.5153.9175.353.30000112.1P115S113-P115 CarbonylContact O-C 3.49Å
114S90.6Very high95.8Very high97 Ų9747.1 Ų47.168%0.67826%0.26SS*.SBendtrans-65.2142.1173-173.40000110.9
115P92.4Very high95.8Very high108 Ų10847.8 Ų47.870%0.70126%0.263SS*.SBendcis-82.1126.1-2.731.9-33.2000112.9S113S113-P115 CarbonylContact O-C 3.49Å
116F94.9Very high95.8Very high37 Ų3750.1 Ų50.116%0.16227%0.274CS..  trans-97-10.3-17443.7-109.4000114.9L108 P109 H112 K118 W119 Y120 L163L108-F116 HydrophobicContact CB-CB 4.2Å; L108-F116 HydrophobicContact CB-CD1 4.19Å; L108-F116 HydrophobicContact CB-CD2 3.77Å; L108-F116 HydrophobicContact CB-CE2 4.21Å; L108-F116 HydrophobicContact CB-CG 3.77Å; L108-F116 HydrophobicContact CD1-CD2 3.32Å; L108-F116 HydrophobicContact CD1-CE2 3.78Å; L108-F116 HydrophobicContact CD1-CG 4.09Å; L108-F116 HydrophobicContact CG-CD2 4.19Å; P109-F116 HydrophobicContact CG-CD1 4.46Å; P109-F116 HydrophobicContact CG-CE1 4.05Å; H112-F116 HydrophobicContact CB-CB 4.39Å; F116-K118 PolarHBondContact O-N 3.01Å; F116-W119 HydrophobicContact CB-CE3 4.32Å; F116-W119 PolarHBondContact O-N 3.47Å; F116-Y120 VanDerWaalsContact O-CB 3.31Å; F116-Y120 WeakPolarHBondContact O-CB 3.48Å; F116-Y120 PolarHBondContact O-N 3.17Å; F116-L163 HydrophobicContact CD2-CD1 4.31Å; F116-L163 HydrophobicContact CE2-CD1 4.23Å
117S94.1Very high95.8Very high58 Ų5850.1 Ų50.141%0.40627%0.274SS..Hα-helixtrans-63.7-45.9-171.358.90000114Y120 V121S117-Y120 PolarHBondContact O-N 3.24Å; S117-V121 PolarHBondContact O-N 3.13Å; S117-V121 VanDerWaalsContact O-N 3.14Å
118K95.4Very high96Very high184 Ų18448.8 Ų48.880%0.827%0.268SS*.Hα-helixtrans-66.3-43.2176.8-70.9-176178.9179.80111.7F116 Y120 H122F116-K118 PolarHBondContact O-N 3.01Å; K118-Y120 VanDerWaalsContact C-N 3.3Å; K118-Y120 PolarHBondContact O-N 3.03Å; K118-H122 WeakPolarHBondContact O-CB 3.45Å; K118-H122 PolarHBondContact O-N 2.95Å
119W96.7Very high96.1Very high50 Ų5050.3 Ų50.319%0.18928%0.275CS..Hα-helixtrans-57.3-46.4174166.284000110.6L108 F111 H112 F116 V121 H122 S123 F224L108-W119 HydrophobicContact CD2-CZ3 4.34Å; F111-W119 HydrophobicContact CB-CH2 3.35Å; F111-W119 HydrophobicContact CB-CZ2 4.05Å; F111-W119 HydrophobicContact CB-CZ3 4.02Å; F111-W119 HydrophobicContact CG-CH2 4.21Å; H112-W119 HydrophobicContact CB-CD2 3.48Å; H112-W119 VanDerWaalsContact CB-CD2 3.48Å; H112-W119 HydrophobicContact CB-CE3 3.47Å; H112-W119 VanDerWaalsContact CB-CE3 3.47Å; H112-W119 HydrophobicContact CB-CG 4.07Å; H112-W119 HydrophobicContact CB-CH2 4.1Å; H112-W119 HydrophobicContact CB-CZ2 4.07Å; H112-W119 HydrophobicContact CB-CZ3 3.79Å; H112-W119 AromaticContact CD2-CD1 3.2Å; H112-W119 AromaticContact CD2-CD2 3.61Å; H112-W119 AromaticContact CD2-CE2 3.72Å; H112-W119 AromaticContact CD2-CG 3.31Å; H112-W119 AromaticContact CD2-NE1 3.42Å; H112-W119 PolarHBondContact CD2-NE1 2.99Å; H112-W119 AromaticContact CG-CD1 3.91Å; H112-W119 AromaticContact CG-CD2 3.53Å; H112-W119 AromaticContact CG-CE2 3.94Å; H112-W119 AromaticContact CG-CE3 3.95Å; H112-W119 AromaticContact CG-CG 3.55Å; H112-W119 AromaticContact NE2-CD1 3.6Å; H112-W119 AromaticContact NE2-CG 3.72Å; F116-W119 HydrophobicContact CB-CE3 4.32Å; F116-W119 PolarHBondContact O-N 3.47Å; W119-V121 PolarHBondContact O-N 2.86Å; W119-H122 PolarHBondContact O-N 2.89Å; W119-S123 PolarHBondContact NE1-OG 3.19Å; W119-S123 PolarHBondContact O-N 2.96Å; W119-S123 PolarHBondContact O-OG 3.17Å; W119-F224 AromaticContact CH2-CD1 3.8Å; W119-F224 HydrophobicContact CH2-CD1 3.8Å; W119-F224 AromaticContact CH2-CE1 3.89Å; W119-F224 HydrophobicContact CH2-CE1 3.89Å; W119-F224 HydrophobicContact CZ2-CD1 4.34Å; W119-F224 HydrophobicContact CZ3-CE1 4.4Å
120Y98Very high96.3Very high0 Ų047.8 Ų47.80%026%0.261CS..Hα-helixtrans-63.1-46.1-177.1-178.7-131.5000112.6P104 L106 L108 F116 S117 K118 H122 S123 L124 L161 L163 S168 F224P104-Y120 WeakPolarHBondContact CB-OH 3.18Å; L106-Y120 HydrophobicContact CD1-CE2 4.13Å; L108-Y120 HydrophobicContact CD1-CD1 3.98Å; L108-Y120 HydrophobicContact CD1-CG 3.99Å; L108-Y120 HydrophobicContact CD2-CD1 4.33Å; L108-Y120 HydrophobicContact CD2-CD2 3.71Å; L108-Y120 HydrophobicContact CD2-CE1 4.5Å; L108-Y120 HydrophobicContact CD2-CE2 3.92Å; L108-Y120 HydrophobicContact CD2-CG 3.94Å; F116-Y120 VanDerWaalsContact O-CB 3.31Å; F116-Y120 WeakPolarHBondContact O-CB 3.48Å; F116-Y120 PolarHBondContact O-N 3.17Å; S117-Y120 PolarHBondContact O-N 3.24Å; K118-Y120 VanDerWaalsContact C-N 3.3Å; K118-Y120 PolarHBondContact O-N 3.03Å; Y120-H122 VanDerWaalsContact C-N 3.34Å; Y120-H122 PolarHBondContact O-N 3.07Å; Y120-S123 PolarHBondContact O-N 2.74Å; Y120-L124 HydrophobicContact CD1-CD1 4.42Å; Y120-L124 HydrophobicContact CD2-CD1 4.39Å; Y120-L124 HydrophobicContact CD2-CG 4.36Å; Y120-L124 HydrophobicContact CE1-CD1 3.99Å; Y120-L124 HydrophobicContact CE2-CD1 3.96Å; Y120-L124 HydrophobicContact CE2-CD2 4.26Å; Y120-L124 HydrophobicContact CE2-CG 4.04Å; Y120-L124 WeakPolarHBondContact O-CG 3.32Å; Y120-L124 PolarHBondContact O-N 3.45Å; Y120-L161 HydrophobicContact CD1-CD2 3.75Å; Y120-L161 HydrophobicContact CE1-CD2 3.81Å; Y120-L163 HydrophobicContact CD1-CD2 3.95Å; Y120-L163 HydrophobicContact CE1-CD2 4.05Å; Y120-S168 PolarHBondContact OH-OG 3.34Å; Y120-F224 AromaticContact CD2-CE1 3.61Å; Y120-F224 HydrophobicContact CD2-CE1 3.61Å; Y120-F224 AromaticContact CD2-CZ 3.79Å; Y120-F224 HydrophobicContact CD2-CZ 3.79Å; Y120-F224 AromaticContact CE2-CE1 3.6Å; Y120-F224 HydrophobicContact CE2-CE1 3.6Å; Y120-F224 AromaticContact CE2-CZ 3.68Å; Y120-F224 HydrophobicContact CE2-CZ 3.68Å
121V97.8Very high96.6Very high34 Ų3446 Ų4621%0.20625%0.252CS..Hα-helixtrans-60-46.6174.3174.50000110.6S117 W119 S123 L124 E125 T147 L161S117-V121 PolarHBondContact O-N 3.13Å; S117-V121 VanDerWaalsContact O-N 3.14Å; W119-V121 PolarHBondContact O-N 2.86Å; V121-S123 PolarHBondContact O-N 3.04Å; V121-L124 PolarHBondContact O-N 2.92Å; V121-E125 HydrophobicContact CG1-CG 4.47Å; V121-E125 WeakPolarHBondContact O-CG 3.42Å; V121-E125 PolarHBondContact O-N 3.17Å; V121-T147 HydrophobicContact CG1-CG2 3.73Å; V121-L161 HydrophobicContact CG2-CD2 3.66Å
122H98Very high96.8Very high97 Ų9744.4 Ų44.445%0.44925%0.245SC..Hα-helixtrans-61.1-44.6179.4179.472.6000112.1K118 W119 Y120 L124 E125 Q126K118-H122 WeakPolarHBondContact O-CB 3.45Å; K118-H122 PolarHBondContact O-N 2.95Å; W119-H122 PolarHBondContact O-N 2.89Å; Y120-H122 VanDerWaalsContact C-N 3.34Å; Y120-H122 PolarHBondContact O-N 3.07Å; H122-L124 VanDerWaalsContact C-N 3.32Å; H122-L124 PolarHBondContact O-N 3.13Å; H122-E125 WeakPolarHBondContact O-CB 3.22Å; H122-E125 PolarHBondContact O-N 3.41Å; H122-Q126 WeakPolarHBondContact O-CG 3.37Å; H122-Q126 PolarHBondContact O-N 2.68Å
123S98.5Very high97Very high6 Ų646.6 Ų46.64%0.04226%0.258CS..Hα-helixtrans-63.4-36.8177.6-65.20000112.4W119 Y120 V121 C127W119-S123 PolarHBondContact NE1-OG 3.19Å; W119-S123 PolarHBondContact O-N 2.96Å; W119-S123 PolarHBondContact O-OG 3.17Å; Y120-S123 PolarHBondContact O-N 2.74Å; V121-S123 PolarHBondContact O-N 3.04Å; S123-C127 VanDerWaalsContact O-CB 3.24Å; S123-C127 WeakPolarHBondContact O-CB 3.27Å; S123-C127 PolarHBondContact O-N 3.48Å
124L98.7Very high97.3Very high1 Ų148.3 Ų48.31%0.00526%0.257CS..Hα-helixtrans-65.8-43.1172.5-71.2174.6000112P104 Y120 V121 H122 C127 L128 I159 L161 V172 F220 F224P104-L124 HydrophobicContact CG-CD2 4.23Å; Y120-L124 HydrophobicContact CD1-CD1 4.42Å; Y120-L124 HydrophobicContact CD2-CD1 4.39Å; Y120-L124 HydrophobicContact CD2-CG 4.36Å; Y120-L124 HydrophobicContact CE1-CD1 3.99Å; Y120-L124 HydrophobicContact CE2-CD1 3.96Å; Y120-L124 HydrophobicContact CE2-CD2 4.26Å; Y120-L124 HydrophobicContact CE2-CG 4.04Å; Y120-L124 WeakPolarHBondContact O-CG 3.32Å; Y120-L124 PolarHBondContact O-N 3.45Å; V121-L124 PolarHBondContact O-N 2.92Å; H122-L124 VanDerWaalsContact C-N 3.32Å; H122-L124 PolarHBondContact O-N 3.13Å; L124-C127 WeakPolarHBondContact O-CB 3.28Å; L124-C127 PolarHBondContact O-N 3.31Å; L124-L128 WeakPolarHBondContact O-CB 3.31Å; L124-L128 VanDerWaalsContact O-CG 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 3.39Å; L124-I159 HydrophobicContact CB-CD1 4.04Å; L124-I159 HydrophobicContact CD1-CG2 4.12Å; L124-L161 HydrophobicContact CD1-CD2 4.39Å; L124-V172 HydrophobicContact CB-CG1 4.08Å; L124-V172 HydrophobicContact CD1-CG1 3.91Å; L124-V172 HydrophobicContact CD2-CG1 3.92Å; L124-V172 HydrophobicContact CG-CG1 4.19Å; L124-F220 HydrophobicContact CD2-CE2 4.31Å; L124-F224 HydrophobicContact CD2-CE2 4.03Å; L124-F224 HydrophobicContact CD2-CZ 3.77Å; L124-F224 HydrophobicContact CG-CZ 4.04Å
125E98.8Very high97.7Very high14 Ų1445.8 Ų45.87%0.06523%0.233CC..Hα-helixtrans-59.8-46.6174.8-73.4174.4158.800111.2V121 H122 L128 I129 A141 G148 V149 I159V121-E125 HydrophobicContact CG1-CG 4.47Å; V121-E125 WeakPolarHBondContact O-CG 3.42Å; V121-E125 PolarHBondContact O-N 3.17Å; H122-E125 WeakPolarHBondContact O-CB 3.22Å; H122-E125 PolarHBondContact O-N 3.41Å; E125-L128 PolarHBondContact O-N 3.42Å; E125-I129 WeakPolarHBondContact O-CB 3.45Å; E125-I129 WeakPolarHBondContact O-CD1 3.32Å; E125-I129 VanDerWaalsContact O-CG1 3.23Å; E125-I129 WeakPolarHBondContact O-CG1 3.2Å; E125-I129 PolarHBondContact O-N 2.88Å; E125-A141 HydrophobicContact CB-CB 3.82Å; E125-A141 HydrophobicContact CG-CB 3.91Å; E125-G148 PolarHBondContact OE1-N 3.03Å; E125-V149 HydrophobicContact CB-CG2 4.43Å; E125-I159 HydrophobicContact CB-CD1 4.45Å; E125-I159 HydrophobicContact CG-CD1 3.45Å; E125-I159 VanDerWaalsContact CG-CD1 3.45Å
126Q98.8Very high97.9Very high50 Ų5043.6 Ų43.623%0.23423%0.23CC..Hα-helixtrans-65.1-39.5177.1-66.5-54.3-53.600112.6H122 L128 I129 G130 Y223H122-Q126 WeakPolarHBondContact O-CG 3.37Å; H122-Q126 PolarHBondContact O-N 2.68Å; Q126-L128 VanDerWaalsContact C-N 3.34Å; Q126-L128 PolarHBondContact O-N 2.92Å; Q126-I129 PolarHBondContact O-N 2.62Å; Q126-G130 PolarHBondContact O-N 2.88Å; Q126-Y223 HydrophobicContact CB-CD1 3.47Å; Q126-Y223 VanDerWaalsContact CB-CD1 3.47Å; Q126-Y223 HydrophobicContact CB-CD2 4.19Å; Q126-Y223 HydrophobicContact CB-CE1 3.55Å; Q126-Y223 HydrophobicContact CB-CE2 4.27Å; Q126-Y223 HydrophobicContact CB-CG 3.82Å; Q126-Y223 HydrophobicContact CG-CD1 4.3Å; Q126-Y223 HydrophobicContact CG-CE1 4.24Å; Q126-Y223 VanDerWaalsContact O-CE2 3.22Å; Q126-Y223 WeakPolarHBondContact O-CE2 3.29Å
127C98.8Very high98.1Very high0 Ų042.1 Ų42.10%022%0.224CC..Hα-helixtrans-57.6-47.7173.6175.80000111.5S123 L124 G130 T131 S219 Y223S123-C127 VanDerWaalsContact O-CB 3.24Å; S123-C127 WeakPolarHBondContact O-CB 3.27Å; S123-C127 PolarHBondContact O-N 3.48Å; L124-C127 WeakPolarHBondContact O-CB 3.28Å; L124-C127 PolarHBondContact O-N 3.31Å; C127-G130 PolarHBondContact O-N 3.48Å; C127-T131 WeakPolarHBondContact O-CB 3.32Å; C127-T131 PolarHBondContact O-N 2.95Å; C127-T131 PolarHBondContact O-OG1 3.32Å; C127-S219 VanDerWaalsContact CA-OG 3.31Å; C127-S219 WeakPolarHBondContact CA-OG 3.45Å; C127-S219 WeakPolarHBondContact O-CB 3.49Å; C127-S219 PolarHBondContact O-OG 2.98Å; C127-Y223 HydrophobicContact CB-CD2 4.35Å
128L98.9Very high98.3Very high1 Ų147.6 Ų47.61%0.00524%0.243CC..Hα-helixtrans-66.1-44.1178.2-73.2165.2000112.1L124 E125 Q126 G130 T131 C132 V149 A157 I159 V172 L174 F216L124-L128 WeakPolarHBondContact O-CB 3.31Å; L124-L128 VanDerWaalsContact O-CG 3.31Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 3.39Å; E125-L128 PolarHBondContact O-N 3.42Å; Q126-L128 VanDerWaalsContact C-N 3.34Å; Q126-L128 PolarHBondContact O-N 2.92Å; L128-G130 PolarHBondContact O-N 3.08Å; L128-T131 WeakPolarHBondContact O-CB 3.32Å; L128-T131 PolarHBondContact O-N 3.47Å; L128-T131 VanDerWaalsContact O-N 3.14Å; L128-C132 PolarHBondContact O-N 2.87Å; L128-C132 PolarHBondContact O-SG 2.76Å; L128-C132 VanDerWaalsContact O-SG 3.35Å; L128-V149 HydrophobicContact CB-CB 4.26Å; L128-V149 HydrophobicContact CB-CG2 3.53Å; L128-V149 HydrophobicContact CD1-CG2 3.99Å; L128-V149 HydrophobicContact CG-CG2 4.44Å; L128-A157 HydrophobicContact CD1-CB 3.8Å; L128-A157 HydrophobicContact CD2-CB 3.89Å; L128-A157 HydrophobicContact CG-CB 4.32Å; L128-I159 HydrophobicContact CD1-CD1 4.01Å; L128-I159 HydrophobicContact CD1-CG1 3.97Å; L128-V172 HydrophobicContact CD1-CB 4.1Å; L128-V172 HydrophobicContact CD1-CG1 4.04Å; L128-V172 HydrophobicContact CD2-CB 4.48Å; L128-V172 HydrophobicContact CD2-CG2 4.22Å; L128-L174 HydrophobicContact CD2-CB 4.02Å; L128-L174 HydrophobicContact CD2-CD2 4.28Å; L128-F216 HydrophobicContact CD2-CE2 4.23Å
129I98.9Very high98.5Very high31 Ų3139.6 Ų39.616%0.15921%0.212CC..Hα-helixtrans-59.5-47.2175.2-69.9162.5000110.7E125 Q126 T131 C132 L133 A139 A141 V149E125-I129 WeakPolarHBondContact O-CB 3.45Å; E125-I129 WeakPolarHBondContact O-CD1 3.32Å; E125-I129 VanDerWaalsContact O-CG1 3.23Å; E125-I129 WeakPolarHBondContact O-CG1 3.2Å; E125-I129 PolarHBondContact O-N 2.88Å; Q126-I129 PolarHBondContact O-N 2.62Å; I129-T131 PolarHBondContact O-N 2.98Å; I129-C132 PolarHBondContact O-N 3.45Å; I129-L133 PolarHBondContact O-N 3.14Å; I129-A139 WeakPolarHBondContact CG2-O 3.29Å; I129-A141 HydrophobicContact CD1-CB 4.07Å; I129-V149 HydrophobicContact CG1-CG1 3.82Å; I129-V149 HydrophobicContact CG1-CG2 4Å
130G98.8Very high98.5Very high12 Ų1241.1 Ų41.112%0.12422%0.218CC..Hα-helixtrans-61-34.517600000112.7Q126 C127 L128 Q134Q126-G130 PolarHBondContact O-N 2.88Å; C127-G130 PolarHBondContact O-N 3.48Å; L128-G130 PolarHBondContact O-N 3.08Å; G130-Q134 PolarHBondContact O-N 3.36Å
131T98.9Very high98.5Very high0 Ų042.6 Ų42.60%023%0.23CC..Hα-helixtrans-67.3-48.2173.9-550000111C127 L128 I129 L133 Q134 F135 L174 V212 P215 F216C127-T131 WeakPolarHBondContact O-CB 3.32Å; C127-T131 PolarHBondContact O-N 2.95Å; C127-T131 PolarHBondContact O-OG1 3.32Å; L128-T131 WeakPolarHBondContact O-CB 3.32Å; L128-T131 PolarHBondContact O-N 3.47Å; L128-T131 VanDerWaalsContact O-N 3.14Å; I129-T131 PolarHBondContact O-N 2.98Å; T131-L133 VanDerWaalsContact C-N 3.3Å; T131-L133 PolarHBondContact O-N 2.84Å; T131-Q134 WeakPolarHBondContact O-CB 3.34Å; T131-Q134 PolarHBondContact O-N 2.87Å; T131-F135 HydrophobicContact CG2-CE2 4.4Å; T131-F135 VanDerWaalsContact O-CD2 3.27Å; T131-F135 WeakPolarHBondContact O-CD2 3.39Å; T131-L174 HydrophobicContact CG2-CD2 3.87Å; T131-V212 HydrophobicContact CG2-CG1 3.73Å; T131-P215 HydrophobicContact CG2-CB 4.27Å; T131-F216 HydrophobicContact CG2-CB 4.21Å
132C98.9Very high98.4Very high0 Ų043.4 Ų43.40%024%0.236CC..Hα-helixtrans-57.5-42.5176.5-700000112.1L128 I129 Q134 F135 V137 A139 L199L128-C132 PolarHBondContact O-N 2.87Å; L128-C132 PolarHBondContact O-SG 2.76Å; L128-C132 VanDerWaalsContact O-SG 3.35Å; I129-C132 PolarHBondContact O-N 3.45Å; C132-Q134 PolarHBondContact O-N 3.26Å; C132-F135 PolarHBondContact O-N 2.95Å; C132-V137 CarbonylContact C-O 3.56Å; C132-V137 HydrophobicContact CB-CB 4.09Å; C132-V137 HydrophobicContact CB-CG1 4.27Å; C132-V137 PolarHBondContact O-N 2.99Å; C132-V137 VanDerWaalsContact O-N 3.13Å; C132-A139 HydrophobicContact CB-CB 3.79Å; C132-L199 HydrophobicContact CB-CD2 4.32Å
133L98.6Very high98Very high111 Ų11139.6 Ų39.658%0.58122%0.224SC*.Hα-helixtrans-60.9-31.4-179.5-175.562.4000112.9I129 T131 F135 G136I129-L133 PolarHBondContact O-N 3.14Å; T131-L133 VanDerWaalsContact C-N 3.3Å; T131-L133 PolarHBondContact O-N 2.84Å; L133-F135 PolarHBondContact O-N 2.77Å; L133-G136 PolarHBondContact O-N 2.93Å
134Q98.3Very high97.5Very high124 Ų12445.1 Ų45.158%0.57926%0.259SS*.THydrogen-bonded Turntrans-63.3-19.2175.8-68.2-67.4-64.300113.3G130 T131 C132 P215G130-Q134 PolarHBondContact O-N 3.36Å; T131-Q134 WeakPolarHBondContact O-CB 3.34Å; T131-Q134 PolarHBondContact O-N 2.87Å; C132-Q134 PolarHBondContact O-N 3.26Å; Q134-P215 HydrophobicContact CB-CB 4.13Å; Q134-P215 HydrophobicContact CG-CB 4.14Å
135F98.5Very high97Very high44 Ų4450.2 Ų50.219%0.19329%0.292CS..THydrogen-bonded Turntrans-1048.7176.1-60-81.3000112.5T131 C132 L133 V137 L199 V203 I207 D211 V212 P215T131-F135 HydrophobicContact CG2-CE2 4.4Å; T131-F135 VanDerWaalsContact O-CD2 3.27Å; T131-F135 WeakPolarHBondContact O-CD2 3.39Å; C132-F135 PolarHBondContact O-N 2.95Å; L133-F135 PolarHBondContact O-N 2.77Å; F135-V137 VanDerWaalsContact C-N 3.28Å; F135-V137 HydrophobicContact CB-CG2 4.39Å; F135-V137 PolarHBondContact O-N 2.78Å; F135-L199 HydrophobicContact CD2-CD1 3.93Å; F135-L199 HydrophobicContact CE2-CD1 4.09Å; F135-V203 VanDerWaalsContact O-CG1 3.31Å; F135-V203 WeakPolarHBondContact O-CG1 3.41Å; F135-I207 HydrophobicContact CD1-CD1 3.76Å; F135-I207 HydrophobicContact CD1-CG1 4.19Å; F135-I207 HydrophobicContact CD1-CG2 3.86Å; F135-I207 HydrophobicContact CE1-CD1 4.14Å; F135-I207 HydrophobicContact CE1-CG2 3.61Å; F135-I207 HydrophobicContact CG-CG2 4.41Å; F135-I207 HydrophobicContact CZ-CG2 3.98Å; F135-D211 WeakPolarHBondContact CZ-O 3.23Å; F135-V212 HydrophobicContact CE2-CB 4.49Å; F135-V212 HydrophobicContact CE2-CG2 3.96Å; F135-V212 HydrophobicContact CZ-CB 4.36Å; F135-V212 HydrophobicContact CZ-CG2 3.77Å; F135-P215 HydrophobicContact CE2-CB 4.14Å; F135-P215 HydrophobicContact CE2-CG 4.14Å; F135-P215 HydrophobicContact CZ-CB 4.41Å; F135-P215 HydrophobicContact CZ-CG 3.92Å
136G98.2Very high96.6Very high62 Ų6251.2 Ų51.264%0.63930%0.298SS*.THydrogen-bonded Turntrans74.316.2-176.300000114.1L133L133-G136 PolarHBondContact O-N 2.93Å
137V98.7Very high96.4Very high6 Ų650.5 Ų50.54%0.03630%0.297CS..  trans-92.3112177.7179.70000109.7C132 F135 A139 V151 L199 E202 V203C132-V137 CarbonylContact C-O 3.56Å; C132-V137 HydrophobicContact CB-CB 4.09Å; C132-V137 HydrophobicContact CB-CG1 4.27Å; C132-V137 PolarHBondContact O-N 2.99Å; C132-V137 VanDerWaalsContact O-N 3.13Å; F135-V137 VanDerWaalsContact C-N 3.28Å; F135-V137 HydrophobicContact CB-CG2 4.39Å; F135-V137 PolarHBondContact O-N 2.78Å; V137-A139 PolarHBondContact O-N 2.9Å; V137-A139 VanDerWaalsContact O-N 3.13Å; V137-V151 HydrophobicContact CG1-CG1 4.41Å; V137-V151 HydrophobicContact CG1-CG2 3.51Å; V137-L199 HydrophobicContact CB-CD2 4.34Å; V137-L199 HydrophobicContact CG2-CD2 4.03Å; V137-E202 HydrophobicContact CG1-CB 4.09Å; V137-E202 HydrophobicContact CG1-CG 4.26Å; V137-E202 HydrophobicContact CG2-CB 3.94Å; V137-V203 HydrophobicContact CG2-CG1 3.46Å; V137-V203 VanDerWaalsContact CG2-CG1 3.46Å
138E98.3Very high96.3Very high172 Ų17250.5 Ų50.580%0.80430%0.297SS*.  trans-74.897.7174.4-67.5-173175.800110.7
139A98.6Very high96.2Very high17 Ų1750.5 Ų50.514%0.1430%0.297CS..  trans-113.8155.2-178.900000112.4I129 C132 V137 V149 W150 V151I129-A139 WeakPolarHBondContact CG2-O 3.29Å; C132-A139 HydrophobicContact CB-CB 3.79Å; V137-A139 PolarHBondContact O-N 2.9Å; V137-A139 VanDerWaalsContact O-N 3.13Å; A139-V149 HydrophobicContact CB-CG1 3.43Å; A139-V149 VanDerWaalsContact CB-CG1 3.43Å; A139-W150 CarbonylContact C-O 3.52Å; A139-W150 WeakPolarHBondContact CA-O 3.27Å; A139-V151 HydrophobicContact CB-CG2 3.92Å
140Y98.5Very high96.2Very high82 Ų8249 Ų4932%0.32229%0.289SS..BIsolated β-bridgetrans-141.3162.6179.468.6-73.3000111.7P142 V149 W150 E153Y140-P142 HydrophobicContact CD2-CB 4.37Å; Y140-P142 HydrophobicContact CE2-CB 3.95Å; Y140-P142 HydrophobicContact CE2-CG 4.47Å; Y140-V149 WeakPolarHBondContact O-CA 3.45Å; Y140-W150 HydrophobicContact CD1-CB 4.37Å; Y140-W150 WeakPolarHBondContact CD1-O 3.18Å; Y140-W150 HydrophobicContact CE1-CB 3.88Å; Y140-W150 PolarHBondContact N-O 3.31Å; Y140-W150 PolarHBondContact O-N 2.97Å; Y140-E153 PolarHBondContact OH-OE1 3.35Å
141A98Very high96.2Very high30 Ų3048.7 Ų48.725%0.24829%0.285CS..  trans-107.5112.8169.500000108.8E125 I129 G143E125-A141 HydrophobicContact CB-CB 3.82Å; E125-A141 HydrophobicContact CG-CB 3.91Å; I129-A141 HydrophobicContact CD1-CB 4.07Å; A141-G143 PolarHBondContact O-N 2.85Å
142P94.5Very high95.9Very high51 Ų5154.3 Ų54.333%0.33132%0.315SS..  trans-71.2-13.9-179.727.6-35.2000113.4Y140 L146 W150Y140-P142 HydrophobicContact CD2-CB 4.37Å; Y140-P142 HydrophobicContact CE2-CB 3.95Å; Y140-P142 HydrophobicContact CE2-CG 4.47Å; P142-L146 HydrophobicContact CB-CB 4.06Å; P142-L146 HydrophobicContact CB-CD1 4.04Å; P142-L146 HydrophobicContact CG-CB 3.39Å; P142-L146 HydrophobicContact CG-CD1 4.09Å; P142-L146 HydrophobicContact CG-CG 4.39Å; P142-L146 WeakPolarHBondContact CG-O 3.5Å; P142-W150 VanDerWaalsContact CG-CD1 3.46Å; P142-W150 HydrophobicContact CG-CG 4.09Å
143G90.8Very high95.6Very high18 Ų1859.2 Ų59.219%0.18634%0.338CS..  trans81.9179.3-173.900000113.6A141 L146A141-G143 PolarHBondContact O-N 2.85Å; G143-L146 CarbonylContact O-C 3.42Å; G143-L146 WeakPolarHBondContact O-CA 3.48Å; G143-L146 WeakPolarHBondContact O-CB 3.06Å; G143-L146 PolarHBondContact O-N 2.85Å
144P88.1Confident95.5Very high121 Ų12157.3 Ų57.379%0.78632%0.323SS*.THydrogen-bonded Turntrans-61.7145.2-177.7-2334000113.3L146P144-L146 VanDerWaalsContact C-N 3.31Å
145P87.1Confident95.4Very high109 Ų10952.2 Ų52.271%0.70830%0.299SS*.THydrogen-bonded Turncis-83.31.71.634.6-36.1000114.1T147P145-T147 PolarHBondContact O-N 3.24Å
146L91.4Very high95.4Very high35 Ų3550.1 Ų50.118%0.18329%0.29CS..SBendtrans-82.538.8-173.3-65.5176.4000113.7P142 G143 P144 G148 W150 L191P142-L146 HydrophobicContact CB-CB 4.06Å; P142-L146 HydrophobicContact CB-CD1 4.04Å; P142-L146 HydrophobicContact CG-CB 3.39Å; P142-L146 HydrophobicContact CG-CD1 4.09Å; P142-L146 HydrophobicContact CG-CG 4.39Å; P142-L146 WeakPolarHBondContact CG-O 3.5Å; G143-L146 CarbonylContact O-C 3.42Å; G143-L146 WeakPolarHBondContact O-CA 3.48Å; G143-L146 WeakPolarHBondContact O-CB 3.06Å; G143-L146 PolarHBondContact O-N 2.85Å; P144-L146 VanDerWaalsContact C-N 3.31Å; L146-G148 PolarHBondContact O-N 3.23Å; L146-W150 HydrophobicContact CB-CZ2 4.17Å; L146-W150 HydrophobicContact CD2-CH2 4.15Å; L146-W150 HydrophobicContact CD2-CZ2 3.9Å; L146-W150 PolarHBondContact O-NE1 2.93Å; L146-L191 HydrophobicContact CD2-CD1 3.11Å; L146-L191 HydrophobicContact CG-CD1 4.35Å
147T94.1Very high95.4Very high35 Ų3547.1 Ų47.122%0.21526%0.259CS..  trans-53.2131.8-177.4-53.70000112.2V121 P145 K155 I159V121-T147 HydrophobicContact CG1-CG2 3.73Å; P145-T147 PolarHBondContact O-N 3.24Å; T147-K155 VanDerWaalsContact O-CE 3.27Å; T147-K155 WeakPolarHBondContact O-CE 3.49Å; T147-K155 PolarHBondContact O-NZ 3.13Å; T147-I159 HydrophobicContact CG2-CB 4.09Å; T147-I159 HydrophobicContact CG2-CD1 4.49Å; T147-I159 HydrophobicContact CG2-CG2 4.46Å
148G95.9Very high95.4Very high0 Ų047.7 Ų47.70%026%0.263CS..SBendtrans128.8-174.1-173.500000111.8E125 L146 A157E125-G148 PolarHBondContact OE1-N 3.03Å; L146-G148 PolarHBondContact O-N 3.23Å; G148-A157 WeakPolarHBondContact CA-O 3.42Å
149V98.3Very high95.3Very high0 Ų040.4 Ų40.40%023%0.229CC..EExtended strand (participates in β ladder)trans-116.5138.1-178.5177.20000109.9E125 L128 I129 A139 Y140 V156 A157E125-V149 HydrophobicContact CB-CG2 4.43Å; L128-V149 HydrophobicContact CB-CB 4.26Å; L128-V149 HydrophobicContact CB-CG2 3.53Å; L128-V149 HydrophobicContact CD1-CG2 3.99Å; L128-V149 HydrophobicContact CG-CG2 4.44Å; I129-V149 HydrophobicContact CG1-CG1 3.82Å; I129-V149 HydrophobicContact CG1-CG2 4Å; A139-V149 HydrophobicContact CB-CG1 3.43Å; A139-V149 VanDerWaalsContact CB-CG1 3.43Å; Y140-V149 WeakPolarHBondContact O-CA 3.45Å; V149-V156 HydrophobicContact CB-CG1 4.18Å; V149-V156 HydrophobicContact CG1-CG1 3.79Å; V149-V156 WeakPolarHBondContact O-CG1 3.21Å; V149-V156 PolarHBondContact O-N 2.96Å; V149-A157 HydrophobicContact CB-CB 4.14Å; V149-A157 PolarHBondContact N-O 2.87Å; V149-A157 PolarHBondContact O-N 3Å; V149-A157 VanDerWaalsContact O-N 3.12Å
150W97.9Very high95.2Very high1 Ų140.2 Ų40.20%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-133.7152.7-165.8-60.774.2000111.7A139 Y140 P142 L146 E153 R154 K155 R194A139-W150 CarbonylContact C-O 3.52Å; A139-W150 WeakPolarHBondContact CA-O 3.27Å; Y140-W150 HydrophobicContact CD1-CB 4.37Å; Y140-W150 WeakPolarHBondContact CD1-O 3.18Å; Y140-W150 HydrophobicContact CE1-CB 3.88Å; Y140-W150 PolarHBondContact N-O 3.31Å; Y140-W150 PolarHBondContact O-N 2.97Å; P142-W150 VanDerWaalsContact CG-CD1 3.46Å; P142-W150 HydrophobicContact CG-CG 4.09Å; L146-W150 HydrophobicContact CB-CZ2 4.17Å; L146-W150 HydrophobicContact CD2-CH2 4.15Å; L146-W150 HydrophobicContact CD2-CZ2 3.9Å; L146-W150 PolarHBondContact O-NE1 2.93Å; W150-E153 WeakPolarHBondContact CZ3-O 3.49Å; W150-R154 CarbonylContact C-O 3.5Å; W150-R154 WeakPolarHBondContact CA-O 3.33Å; W150-R154 VanDerWaalsContact CE3-C 3.45Å; W150-K155 HydrophobicContact CD2-CB 3.83Å; W150-K155 HydrophobicContact CD2-CG 4.03Å; W150-K155 HydrophobicContact CE3-CB 3.68Å; W150-K155 HydrophobicContact CE3-CG 4.38Å; W150-K155 HydrophobicContact CH2-CB 3.87Å; W150-K155 HydrophobicContact CH2-CD 4.11Å; W150-K155 HydrophobicContact CH2-CG 4.31Å; W150-K155 HydrophobicContact CZ2-CB 4.03Å; W150-K155 HydrophobicContact CZ2-CD 3.71Å; W150-K155 HydrophobicContact CZ2-CG 3.97Å; W150-K155 HydrophobicContact CZ3-CB 3.68Å; W150-K155 HydrophobicContact CZ3-CG 4.5Å; W150-R194 HydrophobicContact CH2-CB 4.38Å; W150-R194 HydrophobicContact CH2-CG 4.45Å; W150-R194 HydrophobicContact CZ3-CB 4.32Å; W150-R194 HydrophobicContact CZ3-CG 4.49Å
151V98.1Very high95.1Very high5 Ų537.8 Ų37.83%0.0322%0.222CC..EExtended strand (participates in β ladder)trans-134116.6175.2-176.90000107.3V137 A139 E153 R154 V156 T197 E202V137-V151 HydrophobicContact CG1-CG1 4.41Å; V137-V151 HydrophobicContact CG1-CG2 3.51Å; A139-V151 HydrophobicContact CB-CG2 3.92Å; V151-E153 PolarHBondContact O-N 3.47Å; V151-R154 PolarHBondContact N-O 2.88Å; V151-R154 WeakPolarHBondContact O-CB 3.39Å; V151-R154 PolarHBondContact O-N 2.88Å; V151-V156 HydrophobicContact CG2-CB 4.31Å; V151-V156 HydrophobicContact CG2-CG1 4.14Å; V151-T197 HydrophobicContact CB-CG2 4.47Å; V151-E202 HydrophobicContact CB-CG 4.33Å; V151-E202 HydrophobicContact CG1-CG 4.11Å; V151-E202 VanDerWaalsContact CG1-OE2 3.28Å; V151-E202 WeakPolarHBondContact CG1-OE2 3.37Å; V151-E202 HydrophobicContact CG2-CG 4.33Å
152N93.4Very high95.1Very high117 Ų11739.9 Ų39.963%0.62622%0.223SC*.THydrogen-bonded Turntrans44.655.9178.3-65.5-45.9000113.3R154N152-R154 PolarHBondContact O-N 3.39Å; N152-R154 VanDerWaalsContact O-N 3.14Å; N152-R154 PolarHBondContact O-NH1 3.14Å
153E92.6Very high95.2Very high103 Ų10340 Ų4048%0.48122%0.221SC..THydrogen-bonded Turntrans65.73-177.8-55.1-7097.200116.5Y140 W150 V151 R194Y140-E153 PolarHBondContact OH-OE1 3.35Å; W150-E153 WeakPolarHBondContact CZ3-O 3.49Å; V151-E153 PolarHBondContact O-N 3.47Å; E153-R194 VanDerWaalsContact CD-NH1 3.26Å; E153-R194 IonicContact OE1-NH1 3.92Å; E153-R194 IonicContact OE2-CZ 3Å; E153-R194 IonicContact OE2-NH1 3.87Å; E153-R194 PolarHBondContact OE2-NH1 3.47Å; E153-R194 IonicContact OE2-NH2 3.45Å; E153-R194 PolarHBondContact OE2-NH2 3.07Å
154R96.1Very high95.3Very high72 Ų7243.8 Ų43.827%0.27223%0.232SC..EExtended strand (participates in β ladder)trans-101.6138.2173.2-57.4178.1-67.8-78.79.2111.3W150 V151 N152 K195 T197 E202W150-R154 CarbonylContact C-O 3.5Å; W150-R154 WeakPolarHBondContact CA-O 3.33Å; W150-R154 VanDerWaalsContact CE3-C 3.45Å; V151-R154 PolarHBondContact N-O 2.88Å; V151-R154 WeakPolarHBondContact O-CB 3.39Å; V151-R154 PolarHBondContact O-N 2.88Å; N152-R154 PolarHBondContact O-N 3.39Å; N152-R154 VanDerWaalsContact O-N 3.14Å; N152-R154 PolarHBondContact O-NH1 3.14Å; R154-K195 CarbonylContact C-O 3.56Å; R154-K195 WeakPolarHBondContact CA-O 2.93Å; R154-K195 HydrophobicContact CG-CB 4.3Å; R154-T197 HydrophobicContact CB-CG2 3.85Å; R154-E202 IonicContact CZ-OE1 3.17Å; R154-E202 IonicContact CZ-OE2 3.15Å; R154-E202 IonicContact NE-OE1 3.89Å; R154-E202 PolarHBondContact NE-OE1 2.97Å; R154-E202 VanDerWaalsContact NH2-CD 3.3Å; R154-E202 IonicContact NH2-OE1 2.91Å; R154-E202 PolarHBondContact NH2-OE1 2.96Å; R154-E202 IonicContact NH2-OE2 3.1Å; R154-E202 PolarHBondContact NH2-OE2 3.48Å
155K97.2Very high95.4Very high16 Ų1643.9 Ų43.97%0.0723%0.226CC..EExtended strand (participates in β ladder)trans-87.9120.5-176.9-166.3176.7-165.7178.20111.2T147 W150 A157 S158 K195 M196 T197T147-K155 VanDerWaalsContact O-CE 3.27Å; T147-K155 WeakPolarHBondContact O-CE 3.49Å; T147-K155 PolarHBondContact O-NZ 3.13Å; W150-K155 HydrophobicContact CD2-CB 3.83Å; W150-K155 HydrophobicContact CD2-CG 4.03Å; W150-K155 HydrophobicContact CE3-CB 3.68Å; W150-K155 HydrophobicContact CE3-CG 4.38Å; W150-K155 HydrophobicContact CH2-CB 3.87Å; W150-K155 HydrophobicContact CH2-CD 4.11Å; W150-K155 HydrophobicContact CH2-CG 4.31Å; W150-K155 HydrophobicContact CZ2-CB 4.03Å; W150-K155 HydrophobicContact CZ2-CD 3.71Å; W150-K155 HydrophobicContact CZ2-CG 3.97Å; W150-K155 HydrophobicContact CZ3-CB 3.68Å; W150-K155 HydrophobicContact CZ3-CG 4.5Å; K155-A157 WeakPolarHBondContact CE-O 3.41Å; K155-A157 WeakPolarHBondContact CG-O 3.42Å; K155-S158 WeakPolarHBondContact CE-OG 3.28Å; K155-S158 PolarHBondContact NZ-OG 3.09Å; K155-K195 PolarHBondContact N-O 2.98Å; K155-M196 HydrophobicContact CB-CE 4.05Å; K155-M196 HydrophobicContact CB-SD 3.69Å; K155-M196 HydrophobicContact CD-CE 4.19Å; K155-M196 HydrophobicContact CD-SD 4.04Å; K155-M196 HydrophobicContact CG-CE 4.12Å; K155-M196 HydrophobicContact CG-SD 4.21Å; K155-M196 CarbonylContact O-C 3.55Å; K155-M196 WeakPolarHBondContact O-CA 3.45Å; K155-M196 WeakPolarHBondContact O-CE 3.46Å; K155-T197 PolarHBondContact O-N 2.65Å
156V98.4Very high95.7Very high0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-96-26.8178.570.40000112.4V149 V151 L174 N175 T197 L199V149-V156 HydrophobicContact CB-CG1 4.18Å; V149-V156 HydrophobicContact CG1-CG1 3.79Å; V149-V156 WeakPolarHBondContact O-CG1 3.21Å; V149-V156 PolarHBondContact O-N 2.96Å; V151-V156 HydrophobicContact CG2-CB 4.31Å; V151-V156 HydrophobicContact CG2-CG1 4.14Å; V156-L174 HydrophobicContact CG2-CD1 4.07Å; V156-N175 WeakPolarHBondContact O-CB 3.44Å; V156-N175 PolarHBondContact O-N 2.9Å; V156-T197 HydrophobicContact CB-CG2 3.65Å; V156-T197 HydrophobicContact CG2-CG2 4.06Å; V156-L199 HydrophobicContact CG2-CD2 4.38Å
157A98.4Very high96Very high0 Ų037.6 Ų37.60%019%0.189CC..EExtended strand (participates in β ladder)trans-141.8141176.900000113.1L128 G148 V149 K155 A173 L174L128-A157 HydrophobicContact CD1-CB 3.8Å; L128-A157 HydrophobicContact CD2-CB 3.89Å; L128-A157 HydrophobicContact CG-CB 4.32Å; G148-A157 WeakPolarHBondContact CA-O 3.42Å; V149-A157 HydrophobicContact CB-CB 4.14Å; V149-A157 PolarHBondContact N-O 2.87Å; V149-A157 PolarHBondContact O-N 3Å; V149-A157 VanDerWaalsContact O-N 3.12Å; K155-A157 WeakPolarHBondContact CE-O 3.41Å; K155-A157 WeakPolarHBondContact CG-O 3.42Å; A157-A173 CarbonylContact C-O 3.49Å; A157-A173 WeakPolarHBondContact CA-O 3.36Å; A157-A173 WeakPolarHBondContact CB-O 3.39Å; A157-L174 HydrophobicContact CB-CB 4.38Å; A157-L174 HydrophobicContact CB-CD1 3.94Å
158S97.5Very high96.2Very high17 Ų1736 Ų3612%0.11918%0.179CC..EExtended strand (participates in β ladder)trans-105.8144.8177-76.10000111K155 V172 A173K155-S158 WeakPolarHBondContact CE-OG 3.28Å; K155-S158 PolarHBondContact NZ-OG 3.09Å; S158-V172 CarbonylContact O-C 3.53Å; S158-V172 VanDerWaalsContact O-CA 3.28Å; S158-V172 WeakPolarHBondContact O-CA 3.46Å; S158-A173 PolarHBondContact N-O 2.81Å; S158-A173 PolarHBondContact O-N 2.94Å
159I97.4Very high96.3Very high19 Ų1936.6 Ų36.610%0.09718%0.183CC..EExtended strand (participates in β ladder)trans-124.5122.8174.9-55.3177.8000107.5L124 E125 L128 T147 L161 G171 V172L124-I159 HydrophobicContact CB-CD1 4.04Å; L124-I159 HydrophobicContact CD1-CG2 4.12Å; E125-I159 HydrophobicContact CB-CD1 4.45Å; E125-I159 HydrophobicContact CG-CD1 3.45Å; E125-I159 VanDerWaalsContact CG-CD1 3.45Å; L128-I159 HydrophobicContact CD1-CD1 4.01Å; L128-I159 HydrophobicContact CD1-CG1 3.97Å; T147-I159 HydrophobicContact CG2-CB 4.09Å; T147-I159 HydrophobicContact CG2-CD1 4.49Å; T147-I159 HydrophobicContact CG2-CG2 4.46Å; I159-L161 HydrophobicContact CG2-CD2 4.19Å; I159-G171 WeakPolarHBondContact CA-O 3.35Å; I159-V172 HydrophobicContact CB-CG1 4.48Å; I159-V172 HydrophobicContact CG1-CG1 3.88Å; I159-V172 HydrophobicContact CG2-CG1 4.35Å
160G95.8Very high96.3Very high13 Ų1336.8 Ų36.813%0.13418%0.184CC..EExtended strand (participates in β ladder)trans-145.9108.1178.800000108.3G89 H170 G171G89-G160 WeakPolarHBondContact O-CA 3.38Å; G160-H170 WeakPolarHBondContact O-CB 3.26Å; G160-G171 PolarHBondContact N-O 3.38Å; G160-G171 PolarHBondContact O-N 2.89Å; G160-G171 VanDerWaalsContact O-N 3.08Å
161L96.5Very high96.3Very high32 Ų3237 Ų3717%0.16819%0.187CC..EExtended strand (participates in β ladder)trans-126.8162.6-169.964.484.7000111.6G89 Y120 V121 L124 I159 L163 S169G89-L161 PolarHBondContact N-O 3.34Å; Y120-L161 HydrophobicContact CD1-CD2 3.75Å; Y120-L161 HydrophobicContact CE1-CD2 3.81Å; V121-L161 HydrophobicContact CG2-CD2 3.66Å; L124-L161 HydrophobicContact CD1-CD2 4.39Å; I159-L161 HydrophobicContact CG2-CD2 4.19Å; L161-L163 HydrophobicContact CD1-CD1 4.26Å; L161-L163 HydrophobicContact CD1-CD2 4.02Å; L161-L163 HydrophobicContact CD1-CG 3.69Å; L161-S169 WeakPolarHBondContact CA-O 3.22Å
162R97.1Very high96.4Very high73 Ų7337 Ų3728%0.27519%0.187SC..EExtended strand (participates in β ladder)trans-129.3137.1165.5176.7177.1-177.8-84.2-0.7108.6D87 S168 S169D87-R162 WeakPolarHBondContact OD2-CD 3.29Å; D87-R162 IonicContact OD2-CZ 3.38Å; D87-R162 IonicContact OD2-NE 3.11Å; D87-R162 PolarHBondContact OD2-NE 3.42Å; D87-R162 IonicContact OD2-NH1 2.73Å; R162-S168 WeakPolarHBondContact O-CA 3.37Å; R162-S169 PolarHBondContact N-O 2.84Å; R162-S169 PolarHBondContact O-N 3.47Å
163L96.2Very high96.6Very high54 Ų5431.5 Ų31.528%0.28316%0.158SC..EExtended strand (participates in β ladder)trans-116.1128.2173-57.4-178000108.6L108 F116 Y120 L161 I167L108-L163 HydrophobicContact CD1-CD1 4.06Å; L108-L163 HydrophobicContact CD1-CD2 3.55Å; L108-L163 HydrophobicContact CD1-CG 4.44Å; F116-L163 HydrophobicContact CD2-CD1 4.31Å; F116-L163 HydrophobicContact CE2-CD1 4.23Å; Y120-L163 HydrophobicContact CD1-CD2 3.95Å; Y120-L163 HydrophobicContact CE1-CD2 4.05Å; L161-L163 HydrophobicContact CD1-CD1 4.26Å; L161-L163 HydrophobicContact CD1-CD2 4.02Å; L161-L163 HydrophobicContact CD1-CG 3.69Å; L163-I167 WeakPolarHBondContact CA-O 3.19Å
164K94.2Very high96.9Very high98 Ų9826.6 Ų26.643%0.42614%0.135SC..EExtended strand (participates in β ladder)trans-141.2126.2174.3-165.7-153.8-178.61790108.6G166 I167K164-G166 PolarHBondContact O-N 3.24Å; K164-G166 VanDerWaalsContact O-N 3.14Å; K164-I167 PolarHBondContact N-O 2.76Å; K164-I167 PolarHBondContact O-N 2.68Å
165D90.2Very high97Very high123 Ų12323.2 Ų23.266%0.65812%0.122SC*.THydrogen-bonded Turntrans54.235.6176.8-48.8-43000113.4I167D165-I167 PolarHBondContact O-N 3.49Å
166G93.8Very high97.1Very high11 Ų1122.5 Ų22.511%0.11312%0.119CC..THydrogen-bonded Turntrans77.2-2.1-176.900000115.4L108 K164L108-G166 WeakPolarHBondContact CB-O 3.33Å; L108-G166 PolarHBondContact N-O 2.99Å; K164-G166 PolarHBondContact O-N 3.24Å; K164-G166 VanDerWaalsContact O-N 3.14Å
167I96.7Very high97.1Very high1 Ų126 Ų261%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-99.2133.9177.6-59.3176.1000111H30 L33 L34 L37 I105 L106 L163 K164 D165H30-I167 VanDerWaalsContact CD2-CG2 3.44Å; H30-I167 WeakPolarHBondContact CD2-CG2 3.35Å; L33-I167 HydrophobicContact CD2-CD1 3.98Å; L33-I167 HydrophobicContact CD2-CG1 4.03Å; L33-I167 HydrophobicContact CD2-CG2 3.82Å; L33-I167 HydrophobicContact CG-CD1 4.07Å; L34-I167 HydrophobicContact CD2-CD1 3.51Å; L34-I167 HydrophobicContact CG-CD1 3.8Å; L37-I167 HydrophobicContact CD1-CD1 4.06Å; I105-I167 HydrophobicContact CG2-CG2 4.25Å; L106-I167 VanDerWaalsContact O-CA 3.24Å; L106-I167 WeakPolarHBondContact O-CA 3.45Å; L163-I167 WeakPolarHBondContact CA-O 3.19Å; K164-I167 PolarHBondContact N-O 2.76Å; K164-I167 PolarHBondContact O-N 2.68Å; D165-I167 PolarHBondContact O-N 3.49Å
168S98.3Very high97.1Very high0 Ų026.4 Ų26.40%014%0.14CC..EExtended strand (participates in β ladder)trans-88.5145.5175.458.10000113.1P104 I105 L106 Y120 R162P104-S168 PolarHBondContact O-OG 3.46Å; I105-S168 WeakPolarHBondContact CA-O 3.21Å; I105-S168 WeakPolarHBondContact CD1-O 3.34Å; L106-S168 PolarHBondContact N-OG 2.82Å; L106-S168 VanDerWaalsContact N-OG 3.09Å; L106-S168 PolarHBondContact O-N 2.94Å; L106-S168 PolarHBondContact O-OG 3.22Å; Y120-S168 PolarHBondContact OH-OG 3.34Å; R162-S168 WeakPolarHBondContact O-CA 3.37Å
169S98.3Very high97.2Very high13 Ų1330.3 Ų30.39%0.09116%0.16CC..EExtended strand (participates in β ladder)trans-138166.716472.10000111.1L161 R162L161-S169 WeakPolarHBondContact CA-O 3.22Å; R162-S169 PolarHBondContact N-O 2.84Å; R162-S169 PolarHBondContact O-N 3.47Å
170H98.2Very high97.1Very high4 Ų430.9 Ų30.92%0.01916%0.163CC..EExtended strand (participates in β ladder)trans57.7-146.6-162.8-49.6-82.2000110D87 R88 Y103 P104 G160D87-H170 IonicContact OD1-CD2 3.69Å; D87-H170 IonicContact OD1-CE1 2.91Å; D87-H170 PolarHBondContact OD1-CE1 2.94Å; D87-H170 IonicContact OD1-NE2 3.89Å; D87-H170 PolarHBondContact OD1-NE2 2.88Å; R88-H170 HydrophobicContact CB-CB 4.02Å; R88-H170 WeakPolarHBondContact CB-CD2 3.48Å; R88-H170 VanDerWaalsContact CB-CG 3.47Å; Y103-H170 WeakPolarHBondContact CA-O 3.46Å; P104-H170 WeakPolarHBondContact CD-O 3.3Å; G160-H170 WeakPolarHBondContact O-CB 3.26Å
171G98.3Very high97.1Very high6 Ų631.4 Ų31.46%0.06217%0.168CC..EExtended strand (participates in β ladder)trans159.4-118.3-179.900000112.8V102 I159 G160V102-G171 WeakPolarHBondContact O-CA 3.31Å; I159-G171 WeakPolarHBondContact CA-O 3.35Å; G160-G171 PolarHBondContact N-O 3.38Å; G160-G171 PolarHBondContact O-N 2.89Å; G160-G171 VanDerWaalsContact O-N 3.08Å
172V98.8Very high97.1Very high4 Ų432.2 Ų32.22%0.02417%0.169CC..EExtended strand (participates in β ladder)trans-125.3153.3-169.5-51.20000112V101 V102 L124 L128 S158 I159 F216V101-V172 WeakPolarHBondContact CA-O 3.48Å; V102-V172 HydrophobicContact CB-CG2 3.8Å; V102-V172 HydrophobicContact CG2-CG2 4.23Å; V102-V172 PolarHBondContact N-O 3.08Å; V102-V172 PolarHBondContact O-N 3.17Å; L124-V172 HydrophobicContact CB-CG1 4.08Å; L124-V172 HydrophobicContact CD1-CG1 3.91Å; L124-V172 HydrophobicContact CD2-CG1 3.92Å; L124-V172 HydrophobicContact CG-CG1 4.19Å; L128-V172 HydrophobicContact CD1-CB 4.1Å; L128-V172 HydrophobicContact CD1-CG1 4.04Å; L128-V172 HydrophobicContact CD2-CB 4.48Å; L128-V172 HydrophobicContact CD2-CG2 4.22Å; S158-V172 CarbonylContact O-C 3.53Å; S158-V172 VanDerWaalsContact O-CA 3.28Å; S158-V172 WeakPolarHBondContact O-CA 3.46Å; I159-V172 HydrophobicContact CB-CG1 4.48Å; I159-V172 HydrophobicContact CG1-CG1 3.88Å; I159-V172 HydrophobicContact CG2-CG1 4.35Å; V172-F216 HydrophobicContact CG2-CE2 4.1Å; V172-F216 HydrophobicContact CG2-CZ 4.2Å
173A98.7Very high97Very high2 Ų229 Ų292%0.01716%0.157CC..EExtended strand (participates in β ladder)trans-133.6114.2173.800000108.6Q99 L100 V101 A157 S158Q99-A173 HydrophobicContact CG-CB 4.19Å; L100-A173 CarbonylContact O-C 3.22Å; L100-A173 WeakPolarHBondContact O-CA 3.33Å; V101-A173 HydrophobicContact CG2-CB 4.27Å; A157-A173 CarbonylContact C-O 3.49Å; A157-A173 WeakPolarHBondContact CA-O 3.36Å; A157-A173 WeakPolarHBondContact CB-O 3.39Å; S158-A173 PolarHBondContact N-O 2.81Å; S158-A173 PolarHBondContact O-N 2.94Å
174L98.9Very high96.8Very high1 Ų132.9 Ų32.91%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-105.1122.5179.2174.259.2000109.3Q99 L100 L128 T131 V156 A157 C176 L199 V212Q99-L174 WeakPolarHBondContact CA-O 3.28Å; Q99-L174 WeakPolarHBondContact CG-O 3.5Å; L100-L174 HydrophobicContact CB-CB 4.49Å; L100-L174 PolarHBondContact N-O 2.85Å; L100-L174 PolarHBondContact O-N 3.02Å; L128-L174 HydrophobicContact CD2-CB 4.02Å; L128-L174 HydrophobicContact CD2-CD2 4.28Å; T131-L174 HydrophobicContact CG2-CD2 3.87Å; V156-L174 HydrophobicContact CG2-CD1 4.07Å; A157-L174 HydrophobicContact CB-CB 4.38Å; A157-L174 HydrophobicContact CB-CD1 3.94Å; L174-C176 PolarHBondContact O-N 2.95Å; L174-C176 PolarHBondContact O-SG 2.86Å; L174-L199 HydrophobicContact CD1-CG 4.4Å; L174-L199 HydrophobicContact CD2-CD1 4.25Å; L174-L199 HydrophobicContact CG-CD1 4.48Å; L174-V212 HydrophobicContact CD2-CG1 3.67Å
175N98.8Very high96.6Very high1 Ų131.6 Ų31.61%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-76.6109.6178.2-67.5-15.5000109.3Q99 V156 I178 M196 T197 S198 L199Q99-N175 PolarHBondContact NE2-OD1 3.02Å; V156-N175 WeakPolarHBondContact O-CB 3.44Å; V156-N175 PolarHBondContact O-N 2.9Å; N175-I178 HydrophobicContact CB-CG2 3.58Å; N175-M196 WeakPolarHBondContact ND2-CE 3.28Å; N175-T197 WeakPolarHBondContact CB-O 3.5Å; N175-T197 PolarHBondContact ND2-O 2.91Å; N175-S198 CarbonylContact O-C 3.22Å; N175-S198 VanDerWaalsContact O-CA 3.26Å; N175-S198 WeakPolarHBondContact O-CA 3.31Å; N175-L199 PolarHBondContact O-N 3.03Å
176C98.9Very high96.5Very high0 Ų026.7 Ų26.70%015%0.147CC..SBendtrans-93.9-66.5-179.5-50.80000110.4G98 L174 S198 S200 I207 I209 V212G98-C176 CarbonylContact O-C 3.52Å; G98-C176 WeakPolarHBondContact O-CA 3.25Å; G98-C176 VanDerWaalsContact O-CB 3.27Å; G98-C176 WeakPolarHBondContact O-CB 3.43Å; G98-C176 PolarHBondContact O-N 2.9Å; L174-C176 PolarHBondContact O-N 2.95Å; L174-C176 PolarHBondContact O-SG 2.86Å; C176-S198 WeakPolarHBondContact O-CB 3.46Å; C176-S200 VanDerWaalsContact O-CB 3.3Å; C176-S200 WeakPolarHBondContact O-CB 3.35Å; C176-S200 PolarHBondContact O-N 2.89Å; C176-S200 PolarHBondContact O-OG 3.44Å; C176-I207 CarbonylContact C-O 3.6Å; C176-I207 VanDerWaalsContact C-O 3.22Å; C176-I207 VanDerWaalsContact CB-O 3.27Å; C176-I207 WeakPolarHBondContact CB-O 3.48Å; C176-I209 HydrophobicContact CB-CG1 4.23Å; C176-V212 HydrophobicContact CB-CG2 4.3Å
177D98.7Very high96.1Very high73 Ų7330.4 Ų30.439%0.3917%0.165SC..SBendtrans-142.448.3178.2-167.131.1000110.1G98 S200 T206G98-D177 WeakPolarHBondContact CA-O 3.19Å; G98-D177 PolarHBondContact O-N 3.5Å; D177-S200 WeakPolarHBondContact CB-OG 3.46Å; D177-S200 PolarHBondContact OD1-OG 2.86Å; D177-T206 WeakPolarHBondContact OD2-CG2 3.32Å
178I98.5Very high95.2Very high9 Ų931.5 Ų31.55%0.04617%0.171CC..  trans-85.5145.5-179.4-178160.8000110.5F94 P97 G98 Q99 N175 L180 F183F94-I178 HydrophobicContact CD1-CD1 3.84Å; F94-I178 HydrophobicContact CE1-CD1 3.72Å; F94-I178 HydrophobicContact CE1-CG1 4.33Å; P97-I178 WeakPolarHBondContact O-CA 3.21Å; P97-I178 WeakPolarHBondContact O-CG1 3.38Å; G98-I178 PolarHBondContact O-N 3.34Å; Q99-I178 HydrophobicContact CB-CB 4.32Å; Q99-I178 HydrophobicContact CB-CD1 3.62Å; Q99-I178 HydrophobicContact CG-CD1 4.36Å; N175-I178 HydrophobicContact CB-CG2 3.58Å; I178-L180 HydrophobicContact CG2-CD2 3.99Å; I178-L180 PolarHBondContact O-N 3.46Å; I178-L180 VanDerWaalsContact O-N 3.15Å; I178-F183 HydrophobicContact CD1-CE2 4.21Å; I178-F183 HydrophobicContact CD1-CZ 4.48Å
179D97.9Very high93.9Very high100 Ų10032.8 Ų32.854%0.53518%0.18SC..  trans-64.5111.2165.8178.52.8000109.9G181D179-G181 VanDerWaalsContact C-N 3.25Å; D179-G181 PolarHBondContact O-N 2.88Å; D179-G181 PolarHBondContact OD1-N 2.8Å
180L97.3Very high92.6Very high30 Ų3034.3 Ų34.316%0.15720%0.198CC..G310 helixtrans-74.7-15.8-177.3-64.8172000112.9I178 W182 F183 M196 Q201I178-L180 HydrophobicContact CG2-CD2 3.99Å; I178-L180 PolarHBondContact O-N 3.46Å; I178-L180 VanDerWaalsContact O-N 3.15Å; L180-W182 PolarHBondContact O-N 3.33Å; L180-F183 HydrophobicContact CD2-CD2 4.19Å; L180-F183 HydrophobicContact CD2-CE2 4.2Å; L180-F183 WeakPolarHBondContact O-CB 3.38Å; L180-F183 PolarHBondContact O-N 3.41Å; L180-M196 HydrophobicContact CD2-CB 3.95Å; L180-Q201 VanDerWaalsContact CD1-OE1 3.28Å
181G95.7Very high91Very high25 Ų2537.6 Ų37.626%0.25822%0.216SC..G310 helixtrans-60.9-26.4179.400000113.2D179 F183 D184D179-G181 VanDerWaalsContact C-N 3.25Å; D179-G181 PolarHBondContact O-N 2.88Å; D179-G181 PolarHBondContact OD1-N 2.8Å; G181-F183 PolarHBondContact O-N 2.98Å; G181-D184 WeakPolarHBondContact O-CB 3.49Å; G181-D184 PolarHBondContact O-N 3.46Å
182W95.8Very high89.5Confident48 Ų4843.4 Ų43.418%0.18225%0.25CC..G310 helixtrans-59.7-29.6173.5-69.497.4000113.2P57 Y59 L79 A81 F94 L180P57-W182 HydrophobicContact CB-CH2 4.18Å; P57-W182 HydrophobicContact CB-CZ2 4.26Å; P57-W182 HydrophobicContact CG-CZ2 4.38Å; Y59-W182 WeakPolarHBondContact CE1-O 3.5Å; Y59-W182 AromaticContact CE2-CE3 3.9Å; Y59-W182 HydrophobicContact CE2-CE3 3.9Å; Y59-W182 HydrophobicContact CE2-CZ3 4.21Å; Y59-W182 AromaticContact CZ-CE3 3.95Å; Y59-W182 PolarHBondContact OH-O 3.34Å; L79-W182 HydrophobicContact CB-CH2 4.28Å; L79-W182 HydrophobicContact CB-CZ3 3.8Å; L79-W182 WeakPolarHBondContact O-CH2 3.41Å; A81-W182 HydrophobicContact CB-CE3 4.36Å; A81-W182 HydrophobicContact CB-CH2 4.33Å; A81-W182 HydrophobicContact CB-CZ3 3.71Å; F94-W182 HydrophobicContact CB-CB 4.34Å; F94-W182 HydrophobicContact CD1-CB 3.32Å; F94-W182 AromaticContact CD1-CG 3.82Å; F94-W182 HydrophobicContact CD1-CG 3.82Å; F94-W182 HydrophobicContact CD2-CB 3.87Å; F94-W182 HydrophobicContact CD2-CD2 4.24Å; F94-W182 HydrophobicContact CD2-CE3 4.09Å; F94-W182 HydrophobicContact CD2-CG 4.18Å; F94-W182 HydrophobicContact CE1-CB 3.39Å; F94-W182 AromaticContact CE1-CD1 3.51Å; F94-W182 AromaticContact CE1-CD2 3.94Å; F94-W182 HydrophobicContact CE1-CD2 3.94Å; F94-W182 AromaticContact CE1-CG 3.29Å; F94-W182 HydrophobicContact CE1-CG 3.29Å; F94-W182 HydrophobicContact CE2-CB 3.92Å; F94-W182 AromaticContact CE2-CD2 3.49Å; F94-W182 HydrophobicContact CE2-CD2 3.49Å; F94-W182 VanDerWaalsContact CE2-CD2 3.49Å; F94-W182 AromaticContact CE2-CE3 3.47Å; F94-W182 HydrophobicContact CE2-CE3 3.47Å; F94-W182 VanDerWaalsContact CE2-CE3 3.47Å; F94-W182 AromaticContact CE2-CG 3.7Å; F94-W182 HydrophobicContact CE2-CG 3.7Å; F94-W182 HydrophobicContact CE2-CZ3 4.21Å; F94-W182 HydrophobicContact CG-CB 3.57Å; F94-W182 HydrophobicContact CG-CG 4.22Å; F94-W182 HydrophobicContact CZ-CB 3.7Å; F94-W182 AromaticContact CZ-CD1 3.59Å; F94-W182 AromaticContact CZ-CD2 3.32Å; F94-W182 HydrophobicContact CZ-CD2 3.32Å; F94-W182 AromaticContact CZ-CE2 3.76Å; F94-W182 AromaticContact CZ-CE3 3.83Å; F94-W182 HydrophobicContact CZ-CE3 3.83Å; F94-W182 AromaticContact CZ-CG 3.23Å; F94-W182 HydrophobicContact CZ-CG 3.23Å; F94-W182 AromaticContact CZ-NE1 3.91Å; L180-W182 PolarHBondContact O-N 3.33Å
183F94.1Very high88.1Confident7 Ų746.6 Ų46.63%0.03128%0.283CS..G310 helixtrans-78-21.7178-63.8-81.5000112.9F94 I178 L180 G181 H185 I186 P188 M196F94-F183 HydrophobicContact CB-CD1 4.08Å; F94-F183 HydrophobicContact CB-CE1 3.85Å; F94-F183 HydrophobicContact CB-CZ 4.22Å; F94-F183 HydrophobicContact CD1-CE2 4.38Å; F94-F183 HydrophobicContact CD1-CZ 4.34Å; I178-F183 HydrophobicContact CD1-CE2 4.21Å; I178-F183 HydrophobicContact CD1-CZ 4.48Å; L180-F183 HydrophobicContact CD2-CD2 4.19Å; L180-F183 HydrophobicContact CD2-CE2 4.2Å; L180-F183 WeakPolarHBondContact O-CB 3.38Å; L180-F183 PolarHBondContact O-N 3.41Å; G181-F183 PolarHBondContact O-N 2.98Å; F183-H185 PolarHBondContact O-N 3.46Å; F183-H185 VanDerWaalsContact O-N 3.13Å; F183-I186 HydrophobicContact CD1-CD1 4.37Å; F183-I186 WeakPolarHBondContact O-CG1 3.46Å; F183-I186 PolarHBondContact O-N 2.92Å; F183-I186 VanDerWaalsContact O-N 3.16Å; F183-P188 HydrophobicContact CD1-CB 4.43Å; F183-P188 HydrophobicContact CD1-CG 4.44Å; F183-M196 HydrophobicContact CB-CB 4.32Å; F183-M196 HydrophobicContact CB-CG 3.73Å; F183-M196 HydrophobicContact CD1-CE 4.47Å; F183-M196 HydrophobicContact CD1-CG 3.55Å; F183-M196 HydrophobicContact CD1-SD 4.34Å; F183-M196 HydrophobicContact CD2-CB 3.88Å; F183-M196 HydrophobicContact CD2-CG 3.78Å; F183-M196 HydrophobicContact CE1-CE 4.01Å; F183-M196 HydrophobicContact CE1-CG 4.01Å; F183-M196 HydrophobicContact CE1-SD 4.44Å; F183-M196 HydrophobicContact CE2-CB 4.28Å; F183-M196 HydrophobicContact CE2-CG 4.23Å; F183-M196 HydrophobicContact CG-CB 4.01Å; F183-M196 HydrophobicContact CG-CG 3.41Å; F183-M196 VanDerWaalsContact CG-CG 3.41Å; F183-M196 HydrophobicContact CZ-CE 4.12Å; F183-M196 HydrophobicContact CZ-CG 4.33Å
184D91.7Very high87.2Confident135 Ų13550.3 Ų50.372%0.72230%0.297SS*.G310 helixtrans-68-12.4178.5-63.9-28.5000112.6G181G181-D184 WeakPolarHBondContact O-CB 3.49Å; G181-D184 PolarHBondContact O-N 3.46Å
185H90.9Very high86.9Confident71 Ų7157.2 Ų57.233%0.32933%0.327SS..G310 helixtrans-88.8-3.7177.2-65.5-55.5000114.3R75 L76 L79 F183R75-H185 PolarHBondContact NH2-O 2.84Å; L76-H185 HydrophobicContact CD2-CB 3.73Å; L79-H185 HydrophobicContact CD1-CB 4.32Å; L79-H185 VanDerWaalsContact CD1-CD2 3.41Å; L79-H185 WeakPolarHBondContact CD1-CD2 3.46Å; F183-H185 PolarHBondContact O-N 3.46Å; F183-H185 VanDerWaalsContact O-N 3.13Å
186I89.3Confident86.7Confident20 Ų2057.9 Ų57.910%0.10333%0.33CS..SBendtrans-143.2165.9-174.658.3162.2000111.6Y59 L76 I92 F94 F183 P188Y59-I186 HydrophobicContact CD1-CD1 4.04Å; Y59-I186 HydrophobicContact CD1-CG2 3.76Å; Y59-I186 HydrophobicContact CE1-CB 4.49Å; Y59-I186 HydrophobicContact CE1-CD1 3.96Å; Y59-I186 HydrophobicContact CE1-CG1 4.1Å; Y59-I186 HydrophobicContact CE1-CG2 3.58Å; L76-I186 HydrophobicContact CD1-CG2 3.91Å; L76-I186 HydrophobicContact CD2-CG2 4.16Å; I92-I186 HydrophobicContact CD1-CB 4.37Å; I92-I186 HydrophobicContact CD1-CG2 3.61Å; I92-I186 HydrophobicContact CG1-CB 4.45Å; I92-I186 HydrophobicContact CG1-CD1 4.18Å; I92-I186 HydrophobicContact CG1-CG2 4.08Å; I92-I186 HydrophobicContact CG2-CB 4.01Å; I92-I186 HydrophobicContact CG2-CD1 4.28Å; I92-I186 HydrophobicContact CG2-CG2 4.44Å; F94-I186 HydrophobicContact CB-CD1 4.46Å; F183-I186 HydrophobicContact CD1-CD1 4.37Å; F183-I186 WeakPolarHBondContact O-CG1 3.46Å; F183-I186 PolarHBondContact O-N 2.92Å; F183-I186 VanDerWaalsContact O-N 3.16Å; I186-P188 HydrophobicContact CD1-CB 4.09Å; I186-P188 WeakPolarHBondContact O-CD 3.08Å
187D85.3Confident86.7Confident89 Ų8957.9 Ų57.948%0.47633%0.33SS..  trans-103.784.1168.2-69.9-47.2000110.1C189 G190D187-C189 PolarHBondContact O-N 3.32Å; D187-C189 VanDerWaalsContact O-N 3.13Å; D187-G190 PolarHBondContact O-N 3.09Å
188P77.5Confident86.7Confident23 Ų2354.6 Ų54.615%0.14931%0.313CS..THydrogen-bonded Turntrans-66.9-24.2-166.126.1-34.5000114I92 F183 I186 M196I92-P188 VanDerWaalsContact O-CA 3.28Å; I92-P188 WeakPolarHBondContact O-CA 3.48Å; F183-P188 HydrophobicContact CD1-CB 4.43Å; F183-P188 HydrophobicContact CD1-CG 4.44Å; I186-P188 HydrophobicContact CD1-CB 4.09Å; I186-P188 WeakPolarHBondContact O-CD 3.08Å; P188-M196 HydrophobicContact CG-CG 4.34Å; P188-M196 HydrophobicContact CG-SD 4.1Å
189C70.9Confident86.7Confident27 Ų2754.2 Ų54.218%0.18231%0.311CS..THydrogen-bonded Turntrans-108.8-0.3-179.8-63.10000113.2L91 D187 L191L91-C189 VanDerWaalsContact CD1-C 3.41Å; D187-C189 PolarHBondContact O-N 3.32Å; D187-C189 VanDerWaalsContact O-N 3.13Å; C189-L191 HydrophobicContact CB-CB 4.27Å; C189-L191 HydrophobicContact CB-CD1 4.5Å; C189-L191 HydrophobicContact CB-CG 4.48Å; C189-L191 PolarHBondContact O-N 3Å
190G69.9Low86.8Confident46 Ų4649.9 Ų49.947%0.47429%0.288SS..SBendtrans63.712.1-168.100000113.4L91 D187L91-G190 VanDerWaalsContact CD1-N 3.26Å; D187-G190 PolarHBondContact O-N 3.09Å
191L64.8Low86.8Confident73 Ų7352.7 Ų52.738%0.38230%0.301SS..  trans-118.3102.4-177.6-66174.9000108.3L146 C189 G193 R194L146-L191 HydrophobicContact CD2-CD1 3.11Å; L146-L191 HydrophobicContact CG-CD1 4.35Å; C189-L191 HydrophobicContact CB-CB 4.27Å; C189-L191 HydrophobicContact CB-CD1 4.5Å; C189-L191 HydrophobicContact CB-CG 4.48Å; C189-L191 PolarHBondContact O-N 3Å; L191-G193 PolarHBondContact O-N 2.62Å; L191-R194 HydrophobicContact CB-CG 3.81Å; L191-R194 PolarHBondContact O-N 3.4Å
192V66.5Low87Confident128 Ų12853.4 Ų53.478%0.77630%0.297SS*.THydrogen-bonded Turntrans-55.3133.8179.4-178.60000109.9
193G69.2Low87.1Confident71 Ų7153.2 Ų53.273%0.73230%0.301SS*.THydrogen-bonded Turntrans88.2-3.8174.600000116.1L191L191-G193 PolarHBondContact O-N 2.62Å
194R80.6Confident87.2Confident79 Ų7961.3 Ų61.330%0.29834%0.339SS..PPolyproline II helixtrans-81.3125.6174.1-65.7-77.9-179.5174.7-9.7110W150 E153 L191W150-R194 HydrophobicContact CH2-CB 4.38Å; W150-R194 HydrophobicContact CH2-CG 4.45Å; W150-R194 HydrophobicContact CZ3-CB 4.32Å; W150-R194 HydrophobicContact CZ3-CG 4.49Å; E153-R194 VanDerWaalsContact CD-NH1 3.26Å; E153-R194 IonicContact OE1-NH1 3.92Å; E153-R194 IonicContact OE2-CZ 3Å; E153-R194 IonicContact OE2-NH1 3.87Å; E153-R194 PolarHBondContact OE2-NH1 3.47Å; E153-R194 IonicContact OE2-NH2 3.45Å; E153-R194 PolarHBondContact OE2-NH2 3.07Å; L191-R194 HydrophobicContact CB-CG 3.81Å; L191-R194 PolarHBondContact O-N 3.4Å
195K92.1Very high87.5Confident146 Ų14661.3 Ų61.364%0.63534%0.335SS*.PPolyproline II helixtrans-95.3149.1-179.9-65.2-170.1176.2-170.10111.9R154 K155R154-K195 CarbonylContact C-O 3.56Å; R154-K195 WeakPolarHBondContact CA-O 2.93Å; R154-K195 HydrophobicContact CG-CB 4.3Å; K155-K195 PolarHBondContact N-O 2.98Å
196M96.1Very high87.9Confident15 Ų1561.9 Ų61.97%0.07434%0.343CS..BIsolated β-bridgetrans-81.1158.4164.1-59.2-61.5-64.700109.8K155 N175 L180 F183 P188K155-M196 HydrophobicContact CB-CE 4.05Å; K155-M196 HydrophobicContact CB-SD 3.69Å; K155-M196 HydrophobicContact CD-CE 4.19Å; K155-M196 HydrophobicContact CD-SD 4.04Å; K155-M196 HydrophobicContact CG-CE 4.12Å; K155-M196 HydrophobicContact CG-SD 4.21Å; K155-M196 CarbonylContact O-C 3.55Å; K155-M196 WeakPolarHBondContact O-CA 3.45Å; K155-M196 WeakPolarHBondContact O-CE 3.46Å; N175-M196 WeakPolarHBondContact ND2-CE 3.28Å; L180-M196 HydrophobicContact CD2-CB 3.95Å; F183-M196 HydrophobicContact CB-CB 4.32Å; F183-M196 HydrophobicContact CB-CG 3.73Å; F183-M196 HydrophobicContact CD1-CE 4.47Å; F183-M196 HydrophobicContact CD1-CG 3.55Å; F183-M196 HydrophobicContact CD1-SD 4.34Å; F183-M196 HydrophobicContact CD2-CB 3.88Å; F183-M196 HydrophobicContact CD2-CG 3.78Å; F183-M196 HydrophobicContact CE1-CE 4.01Å; F183-M196 HydrophobicContact CE1-CG 4.01Å; F183-M196 HydrophobicContact CE1-SD 4.44Å; F183-M196 HydrophobicContact CE2-CB 4.28Å; F183-M196 HydrophobicContact CE2-CG 4.23Å; F183-M196 HydrophobicContact CG-CB 4.01Å; F183-M196 HydrophobicContact CG-CG 3.41Å; F183-M196 VanDerWaalsContact CG-CG 3.41Å; F183-M196 HydrophobicContact CZ-CE 4.12Å; F183-M196 HydrophobicContact CZ-CG 4.33Å; P188-M196 HydrophobicContact CG-CG 4.34Å; P188-M196 HydrophobicContact CG-SD 4.1Å
197T97.8Very high88.4Confident0 Ų061.6 Ų61.60%034%0.342CS..  trans-138.1176.4169.5-166.60000110V151 R154 K155 V156 N175 Q201 E202V151-T197 HydrophobicContact CB-CG2 4.47Å; R154-T197 HydrophobicContact CB-CG2 3.85Å; K155-T197 PolarHBondContact O-N 2.65Å; V156-T197 HydrophobicContact CB-CG2 3.65Å; V156-T197 HydrophobicContact CG2-CG2 4.06Å; N175-T197 WeakPolarHBondContact CB-O 3.5Å; N175-T197 PolarHBondContact ND2-O 2.91Å; T197-Q201 PolarHBondContact OG1-NE2 2.85Å; T197-E202 VanDerWaalsContact CB-OE1 3.22Å; T197-E202 WeakPolarHBondContact CB-OE1 3.44Å; T197-E202 HydrophobicContact CG2-CG 4.03Å; T197-E202 VanDerWaalsContact CG2-OE1 3.32Å; T197-E202 WeakPolarHBondContact CG2-OE1 3.48Å; T197-E202 PolarHBondContact OG1-OE1 3.13Å
198S98.7Very high89Confident5 Ų564.1 Ų64.14%0.03535%0.345CS..  trans-134.4159.7175.7690000110.4N175 C176 S200 Q201 E202N175-S198 CarbonylContact O-C 3.22Å; N175-S198 VanDerWaalsContact O-CA 3.26Å; N175-S198 WeakPolarHBondContact O-CA 3.31Å; C176-S198 WeakPolarHBondContact O-CB 3.46Å; S198-S200 PolarHBondContact O-N 3.2Å; S198-Q201 PolarHBondContact O-N 3.29Å; S198-Q201 WeakPolarHBondContact OG-CB 3.49Å; S198-Q201 PolarHBondContact OG-N 3.35Å; S198-Q201 VanDerWaalsContact OG-N 3.1Å; S198-E202 WeakPolarHBondContact O-CG 3.4Å; S198-E202 PolarHBondContact O-N 2.99Å; S198-E202 VanDerWaalsContact O-N 3.11Å
199L98.9Very high90Very high0 Ų063.5 Ų63.50%034%0.34CS..Hα-helixtrans-52.6-45.4172-67.6177.4000110.4C132 F135 V137 V156 L174 N175 Q201 E202 V203 I207 V212C132-L199 HydrophobicContact CB-CD2 4.32Å; F135-L199 HydrophobicContact CD2-CD1 3.93Å; F135-L199 HydrophobicContact CE2-CD1 4.09Å; V137-L199 HydrophobicContact CB-CD2 4.34Å; V137-L199 HydrophobicContact CG2-CD2 4.03Å; V156-L199 HydrophobicContact CG2-CD2 4.38Å; L174-L199 HydrophobicContact CD1-CG 4.4Å; L174-L199 HydrophobicContact CD2-CD1 4.25Å; L174-L199 HydrophobicContact CG-CD1 4.48Å; N175-L199 PolarHBondContact O-N 3.03Å; L199-Q201 VanDerWaalsContact C-N 3.33Å; L199-Q201 PolarHBondContact O-N 3.26Å; L199-E202 PolarHBondContact O-N 3.32Å; L199-V203 WeakPolarHBondContact O-CG2 3.4Å; L199-V203 PolarHBondContact O-N 2.88Å; L199-V203 VanDerWaalsContact O-N 3.13Å; L199-I207 HydrophobicContact CB-CB 4.07Å; L199-I207 HydrophobicContact CB-CG1 4.33Å; L199-I207 HydrophobicContact CB-CG2 4.1Å; L199-I207 HydrophobicContact CD1-CG2 3.93Å; L199-V212 HydrophobicContact CD1-CG1 4.48Å; L199-V212 HydrophobicContact CD1-CG2 3.69Å
200S98.8Very high91.3Very high9 Ų967 Ų676%0.06335%0.353CS..Hα-helixtrans-62.4-38.3-178.3-55.80000113.5C176 D177 S198 H204 Q205 I207C176-S200 VanDerWaalsContact O-CB 3.3Å; C176-S200 WeakPolarHBondContact O-CB 3.35Å; C176-S200 PolarHBondContact O-N 2.89Å; C176-S200 PolarHBondContact O-OG 3.44Å; D177-S200 WeakPolarHBondContact CB-OG 3.46Å; D177-S200 PolarHBondContact OD1-OG 2.86Å; S198-S200 PolarHBondContact O-N 3.2Å; S200-H204 WeakPolarHBondContact O-CA 3.44Å; S200-H204 PolarHBondContact O-N 3.42Å; S200-Q205 WeakPolarHBondContact CA-O 3.46Å; S200-Q205 VanDerWaalsContact CB-O 3.28Å; S200-Q205 WeakPolarHBondContact CB-O 3.49Å; S200-Q205 PolarHBondContact O-N 2.88Å; S200-I207 PolarHBondContact OG-N 2.89Å; S200-I207 PolarHBondContact OG-O 3.14Å
201Q98.6Very high92.6Very high89 Ų8967.6 Ų67.642%0.41635%0.346SS..Hα-helixtrans-67.3-40.7176.4-175.9174.8-90.600111.6L180 T197 S198 L199L180-Q201 VanDerWaalsContact CD1-OE1 3.28Å; T197-Q201 PolarHBondContact OG1-NE2 2.85Å; S198-Q201 PolarHBondContact O-N 3.29Å; S198-Q201 WeakPolarHBondContact OG-CB 3.49Å; S198-Q201 PolarHBondContact OG-N 3.35Å; S198-Q201 VanDerWaalsContact OG-N 3.1Å; L199-Q201 VanDerWaalsContact C-N 3.33Å; L199-Q201 PolarHBondContact O-N 3.26Å
202E98.6Very high94.2Very high40 Ų4064.1 Ų64.119%0.18733%0.328CS..Hα-helixtrans-73.1-26.2-176.8-63.2-58146.500113.2V137 V151 R154 T197 S198 L199V137-E202 HydrophobicContact CG1-CB 4.09Å; V137-E202 HydrophobicContact CG1-CG 4.26Å; V137-E202 HydrophobicContact CG2-CB 3.94Å; V151-E202 HydrophobicContact CB-CG 4.33Å; V151-E202 HydrophobicContact CG1-CG 4.11Å; V151-E202 VanDerWaalsContact CG1-OE2 3.28Å; V151-E202 WeakPolarHBondContact CG1-OE2 3.37Å; V151-E202 HydrophobicContact CG2-CG 4.33Å; R154-E202 IonicContact CZ-OE1 3.17Å; R154-E202 IonicContact CZ-OE2 3.15Å; R154-E202 IonicContact NE-OE1 3.89Å; R154-E202 PolarHBondContact NE-OE1 2.97Å; R154-E202 VanDerWaalsContact NH2-CD 3.3Å; R154-E202 IonicContact NH2-OE1 2.91Å; R154-E202 PolarHBondContact NH2-OE1 2.96Å; R154-E202 IonicContact NH2-OE2 3.1Å; R154-E202 PolarHBondContact NH2-OE2 3.48Å; T197-E202 VanDerWaalsContact CB-OE1 3.22Å; T197-E202 WeakPolarHBondContact CB-OE1 3.44Å; T197-E202 HydrophobicContact CG2-CG 4.03Å; T197-E202 VanDerWaalsContact CG2-OE1 3.32Å; T197-E202 WeakPolarHBondContact CG2-OE1 3.48Å; T197-E202 PolarHBondContact OG1-OE1 3.13Å; S198-E202 WeakPolarHBondContact O-CG 3.4Å; S198-E202 PolarHBondContact O-N 2.99Å; S198-E202 VanDerWaalsContact O-N 3.11Å; L199-E202 PolarHBondContact O-N 3.32Å
203V98.1Very high95.8Very high44 Ų4458.4 Ų58.427%0.26729%0.293SS..Hα-helixtrans-105.10.1178-52.90000114.1F135 V137 L199 Q205 I207F135-V203 VanDerWaalsContact O-CG1 3.31Å; F135-V203 WeakPolarHBondContact O-CG1 3.41Å; V137-V203 HydrophobicContact CG2-CG1 3.46Å; V137-V203 VanDerWaalsContact CG2-CG1 3.46Å; L199-V203 WeakPolarHBondContact O-CG2 3.4Å; L199-V203 PolarHBondContact O-N 2.88Å; L199-V203 VanDerWaalsContact O-N 3.13Å; V203-Q205 HydrophobicContact CG2-CB 4Å; V203-Q205 PolarHBondContact O-N 3.22Å; V203-I207 HydrophobicContact CG2-CD1 4.23Å; V203-I207 HydrophobicContact CG2-CG1 3.78Å
204H97.9Very high97.1Very high177 Ų17763.2 Ų63.282%0.81929%0.293SS*.THydrogen-bonded Turntrans5333.5-175.8-55.1-64.2000114.2S200S200-H204 WeakPolarHBondContact O-CA 3.44Å; S200-H204 PolarHBondContact O-N 3.42Å
205Q98.1Very high98Very high135 Ų13560.5 Ų60.563%0.63129%0.286SS*.SBendtrans-147.8143.4179.8-178.5178.725.400109.1S200 V203 I207S200-Q205 WeakPolarHBondContact CA-O 3.46Å; S200-Q205 VanDerWaalsContact CB-O 3.28Å; S200-Q205 WeakPolarHBondContact CB-O 3.49Å; S200-Q205 PolarHBondContact O-N 2.88Å; V203-Q205 HydrophobicContact CG2-CB 4Å; V203-Q205 PolarHBondContact O-N 3.22Å; Q205-I207 PolarHBondContact O-N 3Å
206T98.6Very high98.3Very high83 Ų8353.7 Ų53.751%0.50926%0.257SS..  trans-62.3116.6175.7-62.60000111.8D177 R208D177-T206 WeakPolarHBondContact OD2-CG2 3.32Å; T206-R208 HydrophobicContact CG2-CG 3.71Å
207I98.7Very high98.4Very high14 Ų1453.9 Ų53.97%0.07226%0.258CS..  trans-113.8103170.2-57.2-57.2000108F135 C176 L199 S200 V203 Q205 D211 V212F135-I207 HydrophobicContact CD1-CD1 3.76Å; F135-I207 HydrophobicContact CD1-CG1 4.19Å; F135-I207 HydrophobicContact CD1-CG2 3.86Å; F135-I207 HydrophobicContact CE1-CD1 4.14Å; F135-I207 HydrophobicContact CE1-CG2 3.61Å; F135-I207 HydrophobicContact CG-CG2 4.41Å; F135-I207 HydrophobicContact CZ-CG2 3.98Å; C176-I207 CarbonylContact C-O 3.6Å; C176-I207 VanDerWaalsContact C-O 3.22Å; C176-I207 VanDerWaalsContact CB-O 3.27Å; C176-I207 WeakPolarHBondContact CB-O 3.48Å; L199-I207 HydrophobicContact CB-CB 4.07Å; L199-I207 HydrophobicContact CB-CG1 4.33Å; L199-I207 HydrophobicContact CB-CG2 4.1Å; L199-I207 HydrophobicContact CD1-CG2 3.93Å; S200-I207 PolarHBondContact OG-N 2.89Å; S200-I207 PolarHBondContact OG-O 3.14Å; V203-I207 HydrophobicContact CG2-CD1 4.23Å; V203-I207 HydrophobicContact CG2-CG1 3.78Å; Q205-I207 PolarHBondContact O-N 3Å; I207-D211 HydrophobicContact CG2-CB 4.48Å; I207-V212 HydrophobicContact CG2-CG2 3.61Å
208R98.6Very high98.4Very high143 Ų14359 Ų5954%0.5428%0.282SS..  trans-84.7161-177.6-54166.2-62.6175.14.6109.9T206 Q210 D211 V212T206-R208 HydrophobicContact CG2-CG 3.71Å; R208-Q210 PolarHBondContact O-N 2.87Å; R208-Q210 VanDerWaalsContact O-N 3.1Å; R208-D211 WeakPolarHBondContact CA-OD2 3.24Å; R208-D211 VanDerWaalsContact CB-OD2 3.29Å; R208-D211 WeakPolarHBondContact CB-OD2 3.2Å; R208-D211 IonicContact CZ-OD1 3.95Å; R208-D211 IonicContact CZ-OD2 3.9Å; R208-D211 PolarHBondContact N-OD2 3.11Å; R208-D211 IonicContact NE-OD1 3.83Å; R208-D211 IonicContact NE-OD2 2.99Å; R208-D211 PolarHBondContact NE-OD2 3.3Å; R208-D211 VanDerWaalsContact NE-OD2 3.15Å; R208-D211 IonicContact NH2-OD1 2.85Å; R208-D211 PolarHBondContact NH2-OD1 3.28Å; R208-D211 VanDerWaalsContact NH2-OD1 3.1Å; R208-D211 IonicContact NH2-OD2 3.34Å; R208-D211 WeakPolarHBondContact O-CB 3.46Å; R208-D211 PolarHBondContact O-N 3.31Å; R208-V212 PolarHBondContact O-N 3.3Å
209I98.6Very high98.4Very high9 Ų959.1 Ų59.15%0.04628%0.282CS..Hα-helixtrans-50.6-41175.9-62.7173.3000112W13 E54 Q99 L100 C176 D211 V212 I213W13-I209 HydrophobicContact CH2-CB 4.5Å; W13-I209 HydrophobicContact CH2-CD1 4.47Å; W13-I209 HydrophobicContact CH2-CG2 3.51Å; W13-I209 HydrophobicContact CZ2-CG2 4.42Å; W13-I209 HydrophobicContact CZ3-CG2 3.68Å; E54-I209 HydrophobicContact CB-CD1 3.81Å; E54-I209 HydrophobicContact CG-CD1 3.76Å; E54-I209 WeakPolarHBondContact OE1-CD1 3.39Å; Q99-I209 VanDerWaalsContact C-CD1 3.46Å; Q99-I209 VanDerWaalsContact O-CD1 3.31Å; Q99-I209 WeakPolarHBondContact O-CD1 3.37Å; L100-I209 HydrophobicContact CB-CG1 4.3Å; L100-I209 HydrophobicContact CB-CG2 3.99Å; L100-I209 HydrophobicContact CD1-CG2 3.82Å; L100-I209 HydrophobicContact CG-CG2 4.38Å; C176-I209 HydrophobicContact CB-CG1 4.23Å; I209-D211 PolarHBondContact O-N 2.99Å; I209-V212 WeakPolarHBondContact O-CA 3.32Å; I209-V212 WeakPolarHBondContact O-CB 3.22Å; I209-V212 PolarHBondContact O-N 2.84Å; I209-I213 HydrophobicContact CG2-CD1 4.44Å; I209-I213 HydrophobicContact CG2-CG1 4.3Å; I209-I213 WeakPolarHBondContact O-CG1 3.33Å; I209-I213 PolarHBondContact O-N 3.05Å; I209-I213 VanDerWaalsContact O-N 3.09Å
210Q97.8Very high98.4Very high100 Ų10059.1 Ų59.147%0.46728%0.282SS..Hα-helixtrans-61.9-32.6-179.8-63.4-57.2-48.300113.1R208 V212R208-Q210 PolarHBondContact O-N 2.87Å; R208-Q210 VanDerWaalsContact O-N 3.1Å; Q210-V212 PolarHBondContact O-N 3.36Å
211D98.3Very high98.4Very high59 Ų5961.4 Ų61.432%0.31629%0.292SS..Hα-helixtrans-72-23.7177.5-48.6-49000110.4F135 I207 R208 I209 P215F135-D211 WeakPolarHBondContact CZ-O 3.23Å; I207-D211 HydrophobicContact CG2-CB 4.48Å; R208-D211 WeakPolarHBondContact CA-OD2 3.24Å; R208-D211 VanDerWaalsContact CB-OD2 3.29Å; R208-D211 WeakPolarHBondContact CB-OD2 3.2Å; R208-D211 IonicContact CZ-OD1 3.95Å; R208-D211 IonicContact CZ-OD2 3.9Å; R208-D211 PolarHBondContact N-OD2 3.11Å; R208-D211 IonicContact NE-OD1 3.83Å; R208-D211 IonicContact NE-OD2 2.99Å; R208-D211 PolarHBondContact NE-OD2 3.3Å; R208-D211 VanDerWaalsContact NE-OD2 3.15Å; R208-D211 IonicContact NH2-OD1 2.85Å; R208-D211 PolarHBondContact NH2-OD1 3.28Å; R208-D211 VanDerWaalsContact NH2-OD1 3.1Å; R208-D211 IonicContact NH2-OD2 3.34Å; R208-D211 WeakPolarHBondContact O-CB 3.46Å; R208-D211 PolarHBondContact O-N 3.31Å; I209-D211 PolarHBondContact O-N 2.99Å; D211-P215 VanDerWaalsContact O-CD 3.29Å; D211-P215 WeakPolarHBondContact O-CD 3.5Å; D211-P215 WeakPolarHBondContact O-CG 3.48Å
212V98.7Very high98.3Very high0 Ų063.3 Ų63.30%030%0.299CS..Hα-helixtrans-92.6-26.5-175-178.40000114L100 T131 F135 L174 C176 L199 I207 R208 I209 Q210 K214 P215 F216L100-V212 HydrophobicContact CD2-CB 4.41Å; L100-V212 HydrophobicContact CD2-CG1 3.76Å; T131-V212 HydrophobicContact CG2-CG1 3.73Å; F135-V212 HydrophobicContact CE2-CB 4.49Å; F135-V212 HydrophobicContact CE2-CG2 3.96Å; F135-V212 HydrophobicContact CZ-CB 4.36Å; F135-V212 HydrophobicContact CZ-CG2 3.77Å; L174-V212 HydrophobicContact CD2-CG1 3.67Å; C176-V212 HydrophobicContact CB-CG2 4.3Å; L199-V212 HydrophobicContact CD1-CG1 4.48Å; L199-V212 HydrophobicContact CD1-CG2 3.69Å; I207-V212 HydrophobicContact CG2-CG2 3.61Å; R208-V212 PolarHBondContact O-N 3.3Å; I209-V212 WeakPolarHBondContact O-CA 3.32Å; I209-V212 WeakPolarHBondContact O-CB 3.22Å; I209-V212 PolarHBondContact O-N 2.84Å; Q210-V212 PolarHBondContact O-N 3.36Å; V212-K214 PolarHBondContact O-N 3.41Å; V212-P215 WeakPolarHBondContact O-CD 3.14Å; V212-F216 VanDerWaalsContact O-CB 3.31Å; V212-F216 WeakPolarHBondContact O-CB 3.43Å; V212-F216 PolarHBondContact O-N 3Å
213I98.2Very high98.3Very high8 Ų864.4 Ų64.44%0.04130%0.302CS..Hα-helixtrans-54.1-50.4-175-72.1169.1000111.9W13 M52 I209 F216 I217 Y230W13-I213 HydrophobicContact CD2-CD1 3.82Å; W13-I213 HydrophobicContact CE3-CD1 3.67Å; W13-I213 HydrophobicContact CE3-CG1 4.36Å; W13-I213 HydrophobicContact CG-CD1 4.3Å; W13-I213 HydrophobicContact CZ3-CD1 4.14Å; M52-I213 HydrophobicContact CE-CG2 3.83Å; M52-I213 HydrophobicContact SD-CG2 4.32Å; I209-I213 HydrophobicContact CG2-CD1 4.44Å; I209-I213 HydrophobicContact CG2-CG1 4.3Å; I209-I213 WeakPolarHBondContact O-CG1 3.33Å; I209-I213 PolarHBondContact O-N 3.05Å; I209-I213 VanDerWaalsContact O-N 3.09Å; I213-F216 PolarHBondContact O-N 3.49Å; I213-I217 HydrophobicContact CG2-CD1 3.81Å; I213-I217 HydrophobicContact CG2-CG1 4.5Å; I213-I217 VanDerWaalsContact O-CG1 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.3Å; I213-I217 PolarHBondContact O-N 3.37Å; I213-Y230 HydrophobicContact CG2-CE2 3.99Å
214K97.9Very high98.2Very high172 Ų17262.5 Ų62.575%0.74829%0.29SS*.Hα-helixtrans-68.1-48.1-177.3179.9-179.5-179.5-176.50112.3V212 F216 I217 H218V212-K214 PolarHBondContact O-N 3.41Å; K214-F216 VanDerWaalsContact C-N 3.29Å; K214-F216 PolarHBondContact O-N 3.19Å; K214-I217 PolarHBondContact O-N 3.27Å; K214-H218 PolarHBondContact O-N 2.83Å
215P98.5Very high98.1Very high23 Ų2358.2 Ų58.215%0.14928%0.279CS..Hα-helixtrans-53-42.7170.2-32.138000114T131 Q134 F135 D211 V212 H218 S219T131-P215 HydrophobicContact CG2-CB 4.27Å; Q134-P215 HydrophobicContact CB-CB 4.13Å; Q134-P215 HydrophobicContact CG-CB 4.14Å; F135-P215 HydrophobicContact CE2-CB 4.14Å; F135-P215 HydrophobicContact CE2-CG 4.14Å; F135-P215 HydrophobicContact CZ-CB 4.41Å; F135-P215 HydrophobicContact CZ-CG 3.92Å; D211-P215 VanDerWaalsContact O-CD 3.29Å; D211-P215 WeakPolarHBondContact O-CD 3.5Å; D211-P215 WeakPolarHBondContact O-CG 3.48Å; V212-P215 WeakPolarHBondContact O-CD 3.14Å; P215-H218 PolarHBondContact O-N 3.46Å; P215-S219 WeakPolarHBondContact O-CB 3.24Å; P215-S219 PolarHBondContact O-N 3.14Å
216F98.8Very high98Very high3 Ų352 Ų521%0.01325%0.25CC..Hα-helixtrans-63.8-49.3178.2-179.1-87.7000111.8M52 L100 V102 L128 T131 V172 V212 I213 K214 H218 S219 F220M52-F216 HydrophobicContact SD-CD1 4.24Å; L100-F216 HydrophobicContact CD2-CB 4.3Å; L100-F216 HydrophobicContact CD2-CD2 4.46Å; L100-F216 HydrophobicContact CD2-CG 4.29Å; V102-F216 HydrophobicContact CB-CE1 4.28Å; V102-F216 HydrophobicContact CB-CZ 4.02Å; V102-F216 HydrophobicContact CG1-CE1 3.75Å; V102-F216 HydrophobicContact CG1-CZ 3.82Å; V102-F216 HydrophobicContact CG2-CD1 4.38Å; V102-F216 HydrophobicContact CG2-CE1 3.89Å; V102-F216 HydrophobicContact CG2-CE2 4.23Å; V102-F216 HydrophobicContact CG2-CZ 3.79Å; L128-F216 HydrophobicContact CD2-CE2 4.23Å; T131-F216 HydrophobicContact CG2-CB 4.21Å; V172-F216 HydrophobicContact CG2-CE2 4.1Å; V172-F216 HydrophobicContact CG2-CZ 4.2Å; V212-F216 VanDerWaalsContact O-CB 3.31Å; V212-F216 WeakPolarHBondContact O-CB 3.43Å; V212-F216 PolarHBondContact O-N 3Å; I213-F216 PolarHBondContact O-N 3.49Å; K214-F216 VanDerWaalsContact C-N 3.29Å; K214-F216 PolarHBondContact O-N 3.19Å; F216-H218 VanDerWaalsContact C-N 3.34Å; F216-H218 PolarHBondContact O-N 3.47Å; F216-S219 PolarHBondContact O-N 2.95Å; F216-F220 HydrophobicContact CE1-CB 4.38Å; F216-F220 AromaticContact CE1-CD2 3.88Å; F216-F220 HydrophobicContact CE1-CD2 3.88Å; F216-F220 HydrophobicContact CE1-CG 4.48Å; F216-F220 AromaticContact CZ-CD2 3.94Å; F216-F220 HydrophobicContact CZ-CD2 3.94Å; F216-F220 WeakPolarHBondContact O-CB 3.19Å; F216-F220 PolarHBondContact O-N 3.17Å
217I98.5Very high97.8Very high19 Ų1953.8 Ų53.810%0.09725%0.253CS..Hα-helixtrans-56-49.3177-71.9168.7000110.6M52 I213 K214 S219 F220 E221 I228 Y230M52-I217 HydrophobicContact CE-CD1 4.09Å; M52-I217 HydrophobicContact CE-CG1 4.37Å; M52-I217 HydrophobicContact SD-CG1 4.21Å; I213-I217 HydrophobicContact CG2-CD1 3.81Å; I213-I217 HydrophobicContact CG2-CG1 4.5Å; I213-I217 VanDerWaalsContact O-CG1 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.3Å; I213-I217 PolarHBondContact O-N 3.37Å; K214-I217 PolarHBondContact O-N 3.27Å; I217-S219 VanDerWaalsContact C-N 3.32Å; I217-S219 PolarHBondContact O-N 3.47Å; I217-F220 WeakPolarHBondContact O-CB 3.41Å; I217-F220 PolarHBondContact O-N 3.3Å; I217-F220 VanDerWaalsContact O-N 3.09Å; I217-E221 HydrophobicContact CG2-CG 4.44Å; I217-E221 WeakPolarHBondContact O-CG 3.37Å; I217-E221 PolarHBondContact O-N 3.42Å; I217-I228 HydrophobicContact CG2-CB 4Å; I217-I228 HydrophobicContact CG2-CD1 4.02Å; I217-I228 HydrophobicContact CG2-CG2 3.84Å; I217-Y230 HydrophobicContact CD1-CD2 3.58Å; I217-Y230 HydrophobicContact CD1-CE2 4.17Å; I217-Y230 HydrophobicContact CD1-CG 3.89Å
218H98.2Very high97.7Very high108 Ų10854 Ų5450%0.525%0.254SS..Hα-helixtrans-60-43.4-179.7179.465.2000112K214 P215 F216 F220 K222K214-H218 PolarHBondContact O-N 2.83Å; P215-H218 PolarHBondContact O-N 3.46Å; F216-H218 VanDerWaalsContact C-N 3.34Å; F216-H218 PolarHBondContact O-N 3.47Å; H218-F220 VanDerWaalsContact C-N 3.33Å; H218-K222 PolarHBondContact O-N 3.49Å; H218-K222 VanDerWaalsContact O-N 3.17Å
219S98.6Very high97.5Very high7 Ų749.9 Ų49.95%0.04925%0.25CC..Hα-helixtrans-63.7-41.5175.4-162.50000111C127 P215 F216 I217 K222 Y223C127-S219 VanDerWaalsContact CA-OG 3.31Å; C127-S219 WeakPolarHBondContact CA-OG 3.45Å; C127-S219 WeakPolarHBondContact O-CB 3.49Å; C127-S219 PolarHBondContact O-OG 2.98Å; P215-S219 WeakPolarHBondContact O-CB 3.24Å; P215-S219 PolarHBondContact O-N 3.14Å; F216-S219 PolarHBondContact O-N 2.95Å; I217-S219 VanDerWaalsContact C-N 3.32Å; I217-S219 PolarHBondContact O-N 3.47Å; S219-K222 PolarHBondContact O-N 3.07Å; S219-Y223 WeakPolarHBondContact O-CD2 3.35Å; S219-Y223 PolarHBondContact O-N 3.37Å; S219-Y223 WeakPolarHBondContact OG-CD2 3.31Å; S219-Y223 WeakPolarHBondContact OG-CE2 3.49Å
220F98.6Very high97.3Very high0 Ų054.1 Ų54.10%027%0.266CS..Hα-helixtrans-61.6-50178.1-162.4-78.4000111.9V50 P104 L106 L124 F216 I217 H218 K222 Y223 F224 I228V50-F220 HydrophobicContact CG2-CE1 3.95Å; V50-F220 HydrophobicContact CG2-CE2 4.29Å; V50-F220 HydrophobicContact CG2-CZ 3.77Å; P104-F220 HydrophobicContact CB-CE2 4.24Å; P104-F220 HydrophobicContact CB-CZ 4.08Å; P104-F220 HydrophobicContact CG-CE2 3.97Å; P104-F220 HydrophobicContact CG-CZ 4.33Å; L106-F220 HydrophobicContact CD1-CZ 4.06Å; L124-F220 HydrophobicContact CD2-CE2 4.31Å; F216-F220 HydrophobicContact CE1-CB 4.38Å; F216-F220 AromaticContact CE1-CD2 3.88Å; F216-F220 HydrophobicContact CE1-CD2 3.88Å; F216-F220 HydrophobicContact CE1-CG 4.48Å; F216-F220 AromaticContact CZ-CD2 3.94Å; F216-F220 HydrophobicContact CZ-CD2 3.94Å; F216-F220 WeakPolarHBondContact O-CB 3.19Å; F216-F220 PolarHBondContact O-N 3.17Å; I217-F220 WeakPolarHBondContact O-CB 3.41Å; I217-F220 PolarHBondContact O-N 3.3Å; I217-F220 VanDerWaalsContact O-N 3.09Å; H218-F220 VanDerWaalsContact C-N 3.33Å; F220-K222 VanDerWaalsContact C-N 3.25Å; F220-K222 PolarHBondContact O-N 2.8Å; F220-Y223 PolarHBondContact O-N 2.83Å; F220-F224 HydrophobicContact CD1-CB 4.09Å; F220-F224 AromaticContact CD1-CD2 3.85Å; F220-F224 HydrophobicContact CD1-CD2 3.85Å; F220-F224 HydrophobicContact CD1-CG 4.05Å; F220-F224 AromaticContact CD2-CD2 3.95Å; F220-F224 HydrophobicContact CD2-CD2 3.95Å; F220-F224 AromaticContact CD2-CE2 3.96Å; F220-F224 HydrophobicContact CD2-CE2 3.96Å; F220-F224 HydrophobicContact CE1-CB 3.9Å; F220-F224 HydrophobicContact CE1-CD1 4.13Å; F220-F224 AromaticContact CE1-CD2 3.74Å; F220-F224 HydrophobicContact CE1-CD2 3.74Å; F220-F224 HydrophobicContact CE1-CE2 4.33Å; F220-F224 AromaticContact CE1-CG 3.63Å; F220-F224 HydrophobicContact CE1-CG 3.63Å; F220-F224 AromaticContact CE2-CD2 3.82Å; F220-F224 HydrophobicContact CE2-CD2 3.82Å; F220-F224 AromaticContact CE2-CE2 3.62Å; F220-F224 HydrophobicContact CE2-CE2 3.62Å; F220-F224 HydrophobicContact CE2-CG 4.41Å; F220-F224 HydrophobicContact CE2-CZ 4.05Å; F220-F224 AromaticContact CG-CD2 3.97Å; F220-F224 HydrophobicContact CG-CD2 3.97Å; F220-F224 HydrophobicContact CG-CE2 4.46Å; F220-F224 HydrophobicContact CZ-CD1 4.04Å; F220-F224 AromaticContact CZ-CD2 3.72Å; F220-F224 HydrophobicContact CZ-CD2 3.72Å; F220-F224 HydrophobicContact CZ-CE1 4.14Å; F220-F224 AromaticContact CZ-CE2 3.83Å; F220-F224 HydrophobicContact CZ-CE2 3.83Å; F220-F224 AromaticContact CZ-CG 3.84Å; F220-F224 HydrophobicContact CZ-CG 3.84Å; F220-F224 HydrophobicContact CZ-CZ 4.05Å; F220-F224 WeakPolarHBondContact O-CB 3.36Å; F220-F224 PolarHBondContact O-N 2.92Å; F220-I228 HydrophobicContact CB-CD1 4.14Å; F220-I228 HydrophobicContact CD1-CD1 3.7Å; F220-I228 HydrophobicContact CE1-CD1 4.49Å; F220-I228 HydrophobicContact CG-CD1 4.19Å
221E98.1Very high97.1Very high56 Ų5653.3 Ų53.326%0.26226%0.262SS..Hα-helixtrans-53.8-44175.6-70.5-179.3130.500111.8I217 C225 C226 I228I217-E221 HydrophobicContact CG2-CG 4.44Å; I217-E221 WeakPolarHBondContact O-CG 3.37Å; I217-E221 PolarHBondContact O-N 3.42Å; E221-C225 VanDerWaalsContact O-CA 3.3Å; E221-C225 WeakPolarHBondContact O-CA 3.3Å; E221-C225 PolarHBondContact O-N 3.05Å; E221-C226 WeakPolarHBondContact CB-O 3.3Å; E221-C226 PolarHBondContact O-N 2.85Å; E221-I228 HydrophobicContact CG-CB 3.94Å; E221-I228 HydrophobicContact CG-CD1 3.91Å; E221-I228 HydrophobicContact CG-CG1 3.8Å; E221-I228 PolarHBondContact OE1-N 3.48Å
222K97.5Very high96.6Very high129 Ų12955.8 Ų55.856%0.56128%0.276SS*.Hα-helixtrans-62.9-50.7178.3179.3-175.2176.1-1710112.7H218 S219 F220H218-K222 PolarHBondContact O-N 3.49Å; H218-K222 VanDerWaalsContact O-N 3.17Å; S219-K222 PolarHBondContact O-N 3.07Å; F220-K222 VanDerWaalsContact C-N 3.25Å; F220-K222 PolarHBondContact O-N 2.8Å
223Y97.7Very high95.8Very high64 Ų6457.5 Ų57.525%0.25129%0.286SS..Hα-helixtrans-86.3-15.6-171.8-69.6-71.5000114.1Q126 C127 S219 F220Q126-Y223 HydrophobicContact CB-CD1 3.47Å; Q126-Y223 VanDerWaalsContact CB-CD1 3.47Å; Q126-Y223 HydrophobicContact CB-CD2 4.19Å; Q126-Y223 HydrophobicContact CB-CE1 3.55Å; Q126-Y223 HydrophobicContact CB-CE2 4.27Å; Q126-Y223 HydrophobicContact CB-CG 3.82Å; Q126-Y223 HydrophobicContact CG-CD1 4.3Å; Q126-Y223 HydrophobicContact CG-CE1 4.24Å; Q126-Y223 VanDerWaalsContact O-CE2 3.22Å; Q126-Y223 WeakPolarHBondContact O-CE2 3.29Å; C127-Y223 HydrophobicContact CB-CD2 4.35Å; S219-Y223 WeakPolarHBondContact O-CD2 3.35Å; S219-Y223 PolarHBondContact O-N 3.37Å; S219-Y223 WeakPolarHBondContact OG-CD2 3.31Å; S219-Y223 WeakPolarHBondContact OG-CE2 3.49Å; F220-Y223 PolarHBondContact O-N 2.83Å
224F97.3Very high94.1Very high4 Ų461.5 Ų61.52%0.01832%0.32CS..Hα-helixtrans-103.3-3.9172.8-76.1-98.3000113.6L106 F111 W119 Y120 L124 F220 C226L106-F224 HydrophobicContact CD1-CD1 4.16Å; L106-F224 HydrophobicContact CD1-CE1 3.96Å; F111-F224 HydrophobicContact CD1-CB 4.31Å; F111-F224 HydrophobicContact CD1-CD1 4.3Å; F111-F224 WeakPolarHBondContact CD1-O 3.25Å; F111-F224 HydrophobicContact CE1-CB 4.48Å; W119-F224 AromaticContact CH2-CD1 3.8Å; W119-F224 HydrophobicContact CH2-CD1 3.8Å; W119-F224 AromaticContact CH2-CE1 3.89Å; W119-F224 HydrophobicContact CH2-CE1 3.89Å; W119-F224 HydrophobicContact CZ2-CD1 4.34Å; W119-F224 HydrophobicContact CZ3-CE1 4.4Å; Y120-F224 AromaticContact CD2-CE1 3.61Å; Y120-F224 HydrophobicContact CD2-CE1 3.61Å; Y120-F224 AromaticContact CD2-CZ 3.79Å; Y120-F224 HydrophobicContact CD2-CZ 3.79Å; Y120-F224 AromaticContact CE2-CE1 3.6Å; Y120-F224 HydrophobicContact CE2-CE1 3.6Å; Y120-F224 AromaticContact CE2-CZ 3.68Å; Y120-F224 HydrophobicContact CE2-CZ 3.68Å; L124-F224 HydrophobicContact CD2-CE2 4.03Å; L124-F224 HydrophobicContact CD2-CZ 3.77Å; L124-F224 HydrophobicContact CG-CZ 4.04Å; F220-F224 HydrophobicContact CD1-CB 4.09Å; F220-F224 AromaticContact CD1-CD2 3.85Å; F220-F224 HydrophobicContact CD1-CD2 3.85Å; F220-F224 HydrophobicContact CD1-CG 4.05Å; F220-F224 AromaticContact CD2-CD2 3.95Å; F220-F224 HydrophobicContact CD2-CD2 3.95Å; F220-F224 AromaticContact CD2-CE2 3.96Å; F220-F224 HydrophobicContact CD2-CE2 3.96Å; F220-F224 HydrophobicContact CE1-CB 3.9Å; F220-F224 HydrophobicContact CE1-CD1 4.13Å; F220-F224 AromaticContact CE1-CD2 3.74Å; F220-F224 HydrophobicContact CE1-CD2 3.74Å; F220-F224 HydrophobicContact CE1-CE2 4.33Å; F220-F224 AromaticContact CE1-CG 3.63Å; F220-F224 HydrophobicContact CE1-CG 3.63Å; F220-F224 AromaticContact CE2-CD2 3.82Å; F220-F224 HydrophobicContact CE2-CD2 3.82Å; F220-F224 AromaticContact CE2-CE2 3.62Å; F220-F224 HydrophobicContact CE2-CE2 3.62Å; F220-F224 HydrophobicContact CE2-CG 4.41Å; F220-F224 HydrophobicContact CE2-CZ 4.05Å; F220-F224 AromaticContact CG-CD2 3.97Å; F220-F224 HydrophobicContact CG-CD2 3.97Å; F220-F224 HydrophobicContact CG-CE2 4.46Å; F220-F224 HydrophobicContact CZ-CD1 4.04Å; F220-F224 AromaticContact CZ-CD2 3.72Å; F220-F224 HydrophobicContact CZ-CD2 3.72Å; F220-F224 HydrophobicContact CZ-CE1 4.14Å; F220-F224 AromaticContact CZ-CE2 3.83Å; F220-F224 HydrophobicContact CZ-CE2 3.83Å; F220-F224 AromaticContact CZ-CG 3.84Å; F220-F224 HydrophobicContact CZ-CG 3.84Å; F220-F224 HydrophobicContact CZ-CZ 4.05Å; F220-F224 WeakPolarHBondContact O-CB 3.36Å; F220-F224 PolarHBondContact O-N 2.92Å; F224-C226 VanDerWaalsContact C-N 3.3Å; F224-C226 HydrophobicContact CB-CB 4.4Å; F224-C226 PolarHBondContact O-N 3.42Å
225C95.4Very high92.4Very high87 Ų8755 Ų5559%0.58830%0.295SS*.THydrogen-bonded Turntrans50.849.7-176.4-60.90000112L6 E221L6-C225 HydrophobicContact CD2-CB 4.47Å; L6-C225 VanDerWaalsContact CD2-O 3.3Å; L6-C225 WeakPolarHBondContact CD2-O 3.31Å; E221-C225 VanDerWaalsContact O-CA 3.3Å; E221-C225 WeakPolarHBondContact O-CA 3.3Å; E221-C225 PolarHBondContact O-N 3.05Å
226C95.5Very high90.1Very high3 Ų363.1 Ų63.12%0.0233%0.328CS..EExtended strand (participates in β ladder)trans-126.7164.6-175.274.40000111.9V7 V9 F111 E221 F224V7-C226 HydrophobicContact CB-CB 4.34Å; V7-C226 WeakPolarHBondContact O-CA 3.48Å; V7-C226 WeakPolarHBondContact O-CB 3.46Å; V9-C226 HydrophobicContact CG2-CB 3.91Å; F111-C226 HydrophobicContact CE1-CB 3.88Å; E221-C226 WeakPolarHBondContact CB-O 3.3Å; E221-C226 PolarHBondContact O-N 2.85Å; F224-C226 VanDerWaalsContact C-N 3.3Å; F224-C226 HydrophobicContact CB-CB 4.4Å; F224-C226 PolarHBondContact O-N 3.42Å
227E94.8Very high87.7Confident122 Ų12272.8 Ų72.857%0.5737%0.37SS*.EExtended strand (participates in β ladder)trans-110.5123.2173.2-177.7178.4-169.700109.1L6 V7 V9L6-E227 HydrophobicContact CB-CB 4.05Å; L6-E227 HydrophobicContact CD1-CB 4.18Å; V7-E227 PolarHBondContact O-N 3.09Å; V9-E227 PolarHBondContact N-O 3.07Å
228I96.1Very high85.2Confident19 Ų1980.6 Ų80.610%0.09740%0.403CS..EExtended strand (participates in β ladder)trans-102119.5-177.3-72.4179.3000111.6V9 A11 I217 F220 E221V9-I228 HydrophobicContact CB-CG1 4.01Å; V9-I228 HydrophobicContact CG1-CG1 4.11Å; V9-I228 CarbonylContact O-C 3.58Å; V9-I228 WeakPolarHBondContact O-CA 3.4Å; A11-I228 HydrophobicContact CB-CG2 3.35Å; I217-I228 HydrophobicContact CG2-CB 4Å; I217-I228 HydrophobicContact CG2-CD1 4.02Å; I217-I228 HydrophobicContact CG2-CG2 3.84Å; F220-I228 HydrophobicContact CB-CD1 4.14Å; F220-I228 HydrophobicContact CD1-CD1 3.7Å; F220-I228 HydrophobicContact CE1-CD1 4.49Å; F220-I228 HydrophobicContact CG-CD1 4.19Å; E221-I228 HydrophobicContact CG-CB 3.94Å; E221-I228 HydrophobicContact CG-CD1 3.91Å; E221-I228 HydrophobicContact CG-CG1 3.8Å; E221-I228 PolarHBondContact OE1-N 3.48Å
229A95.2Very high82.1Confident55 Ų5584.9 Ų84.946%0.45542%0.42SS..EExtended strand (participates in β ladder)trans-87.4105161.800000109.9V9 V10 A11V9-A229 PolarHBondContact O-N 3.28Å; V10-A229 WeakPolarHBondContact CA-O 3.36Å; A11-A229 PolarHBondContact N-O 3.29Å
230Y94.5Very high79.2Confident98 Ų9894.5 Ų94.538%0.38446%0.456SS..EExtended strand (participates in β ladder)trans-82.3134.9-179.4178-115.9000113.2A11 W13 M52 I213 I217A11-Y230 HydrophobicContact CB-CD2 4.16Å; A11-Y230 CarbonylContact O-C 3.53Å; W13-Y230 HydrophobicContact CB-CE2 4.03Å; W13-Y230 WeakPolarHBondContact CB-OH 3.33Å; M52-Y230 HydrophobicContact CE-CD2 3.78Å; M52-Y230 HydrophobicContact CE-CE2 3.38Å; I213-Y230 HydrophobicContact CG2-CE2 3.99Å; I217-Y230 HydrophobicContact CD1-CD2 3.58Å; I217-Y230 HydrophobicContact CD1-CE2 4.17Å; I217-Y230 HydrophobicContact CD1-CG 3.89Å
231Q92.2Very high76.2Confident84 Ų8499.8 Ų99.839%0.39349%0.488SS..EExtended strand (participates in β ladder)trans-132.7129.6178.9-61.1177.7-2.500110.5V10 A11 K12 W13V10-Q231 HydrophobicContact CG1-CG 4.24Å; A11-Q231 PolarHBondContact O-N 3.46Å; K12-Q231 WeakPolarHBondContact CA-O 3.25Å; K12-Q231 HydrophobicContact CG-CB 4.48Å; W13-Q231 PolarHBondContact N-O 3.38Å
232N87.4Confident73.1Confident111 Ų111103.3 Ų103.359%0.59451%0.509SS*.EExtended strand (participates in β ladder)trans-89109.4166.2-172.7-11.9000109
233V82.5Confident70.2Confident35 Ų35104.9 Ų104.921%0.21252%0.518CS..  trans-94.9105.2179.1-174.40000107.4K12 W13 L14 V235K12-V233 HydrophobicContact CB-CG2 4Å; K12-V233 HydrophobicContact CD-CG2 4.06Å; K12-V233 HydrophobicContact CG-CG2 4.07Å; W13-V233 PolarHBondContact O-N 3.02Å; L14-V233 HydrophobicContact CD2-CB 4.2Å; V233-V235 VanDerWaalsContact C-N 3.3Å; V233-V235 HydrophobicContact CG1-CG2 4.36Å; V233-V235 PolarHBondContact O-N 2.64Å
234A63.6Low67.2Low93 Ų93108.4 Ų108.477%0.76954%0.541SS*.  trans-65.990.1171.400000109.8K236A234-K236 PolarHBondContact O-N 3.27Å
235V61.2Low64.5Low36 Ų36118 Ų11822%0.21858%0.579CS.*  trans-70.4114.7169.9-1770000106.9L14 I17 W25 V233 K237L14-V235 HydrophobicContact CB-CG2 4.11Å; L14-V235 HydrophobicContact CD2-CG2 4.28Å; L14-V235 VanDerWaalsContact O-CG2 3.27Å; L14-V235 WeakPolarHBondContact O-CG2 3.3Å; I17-V235 HydrophobicContact CG2-CG1 4.36Å; W25-V235 HydrophobicContact CZ2-CG2 4.46Å; V233-V235 VanDerWaalsContact C-N 3.3Å; V233-V235 HydrophobicContact CG1-CG2 4.36Å; V233-V235 PolarHBondContact O-N 2.64Å; V235-K237 PolarHBondContact O-N 3.17Å; V235-K237 VanDerWaalsContact O-N 3.11Å
236K51.4Low61.6Low193 Ų193122.7 Ų122.784%0.83959%0.592SS**  trans-60117.9176.2-70.5-175.3179.1-178.90108.2A234 K238A234-K236 PolarHBondContact O-N 3.27Å; K236-K238 PolarHBondContact O-N 2.84Å
237K46.5Very low58.7Low206 Ų206128.9 Ų128.990%0.89663%0.625SS**  trans-50.9112.4172.9-66.1-175.3178.6-176.10108.9V235V235-K237 PolarHBondContact O-N 3.17Å; V235-K237 VanDerWaalsContact O-N 3.11Å
238K46.1Very low56.4Low183 Ų183135.9 Ų135.980%0.79666%0.657SS**  trans-72130.6162.4-81-175.9175.5-179.50107.4K236 R240K236-K238 PolarHBondContact O-N 2.84Å; K238-R240 PolarHBondContact O-N 3.42Å
239K34.9Very low54.4Low197 Ų197141.8 Ų141.886%0.85769%0.685SS**  trans-59126.8169.6-74.6-177.6175.8-178.80107.4T241K239-T241 PolarHBondContact O-N 3Å
240R37.5Very low52.2Low209 Ų209146.3 Ų146.379%0.78970%0.697SS**  trans-58105.9169.3-159.2177.1-179.6179.81.6106K238 N242K238-R240 PolarHBondContact O-N 3.42Å; R240-N242 PolarHBondContact O-N 2.95Å
241T33.9Very low49.9Very low112 Ų112149 Ų14969%0.68771%0.714SS**  trans-73.7110.3169.646.30000105.5K239 H243K239-T241 PolarHBondContact O-N 3Å; T241-H243 PolarHBondContact O-N 3.42Å
242N34.4Very low47.4Very low129 Ų129152.8 Ų152.869%0.6973%0.733SS**  trans-50.5118.4166.5-73.5-11.7000106.8R240 D244R240-N242 PolarHBondContact O-N 2.95Å; N242-D244 VanDerWaalsContact C-N 3.29Å; N242-D244 PolarHBondContact O-N 2.94Å; N242-D244 VanDerWaalsContact O-N 3.09Å
243H36.4Very low44.9Very low163 Ų163155.4 Ų155.476%0.75574%0.742SS**  trans-69.4101.1160.5-9145.3000105T241 Y245T241-H243 PolarHBondContact O-N 3.42Å; H243-Y245 PolarHBondContact O-N 2.88Å; H243-Y245 VanDerWaalsContact O-N 3.12Å
244D34.8Very low42.4Very low138 Ų138163.5 Ų163.574%0.73878%0.777SS**  trans-60.7109.6162.7-68.4-34.1000106.2N242 E246N242-D244 VanDerWaalsContact C-N 3.29Å; N242-D244 PolarHBondContact O-N 2.94Å; N242-D244 VanDerWaalsContact O-N 3.09Å; D244-E246 VanDerWaalsContact C-N 3.35Å; D244-E246 PolarHBondContact O-N 3.01Å; D244-E246 VanDerWaalsContact O-N 3.16Å
245Y39.7Very low40.9Very low206 Ų206168.5 Ų168.581%0.80878%0.778SS**  trans-68.5101.2158.5-91.8-95.1000105.8H243 D247H243-Y245 PolarHBondContact O-N 2.88Å; H243-Y245 VanDerWaalsContact O-N 3.12Å; Y245-D247 VanDerWaalsContact C-N 3.33Å; Y245-D247 PolarHBondContact O-N 2.97Å; Y245-D247 VanDerWaalsContact O-N 3.09Å
246E35.9Very low39.3Very low184 Ų184178.7 Ų178.786%0.8682%0.821SS**  trans-69.795.2161.5-75.5-177.8159.900107.5D244 H248D244-E246 VanDerWaalsContact C-N 3.35Å; D244-E246 PolarHBondContact O-N 3.01Å; D244-E246 VanDerWaalsContact O-N 3.16Å; E246-H248 PolarHBondContact O-N 3.36Å
247D34Very low38.3Very low134 Ų134177.5 Ų177.572%0.71782%0.82SS**  trans-74.2107.7158.2-81.6-31.5000107.7Y245Y245-D247 VanDerWaalsContact C-N 3.33Å; Y245-D247 PolarHBondContact O-N 2.97Å; Y245-D247 VanDerWaalsContact O-N 3.09Å
248H45.3Very low37.5Very low269 Ų269174.9 Ų174.9100%1.24581%0.813SS**  trans-1590147.7-78.1-37.3000111.1E246E246-H248 PolarHBondContact O-N 3.36Å

Retrieved 248 of 248 residues in 861.9 ms (Link to these results)

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