A0A087X7N0_POEFO Loading...

Pyridoxal (pyridoxine, vitamin B6) phosphatase

AlphaFold DB , UniProt , Accession A0A087X7N0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M32.2Very low54.1Low245 Ų24591.7 Ų91.7100%1.20756%0.564SS**  0115.50-79-161-83.800107
2A33.8Very low57.5Low106 Ų10690.8 Ų90.888%0.87655%0.546SS*.PPolyproline II helixtrans-58.2140.7-173.500000111
3G34.8Very low60.4Low64 Ų6483.9 Ų83.966%0.6651%0.505SS*.PPolyproline II helixtrans-59.4144.3-173.600000112.5F5G3-F5 PolarHBondContact O-N 3.31Å
4A40.5Very low62.7Low96 Ų9687.6 Ų87.679%0.79351%0.506SS*.PPolyproline II helixtrans-47.4128.9168.400000110A6A4-A6 PolarHBondContact O-N 2.91Å
5F46.4Very low64.5Low110 Ų11083.3 Ų83.348%0.48249%0.487SS..  trans-57.8101.6177.1-80.8-114.2000109.6G3 F7 V20 A24G3-F5 PolarHBondContact O-N 3.31Å; F5-F7 PolarHBondContact O-N 3.45Å; F5-V20 HydrophobicContact CD1-CG1 4.01Å; F5-V20 HydrophobicContact CE1-CG1 3.21Å; F5-V20 HydrophobicContact CZ-CG1 3.79Å; F5-A24 HydrophobicContact CE1-CB 3.87Å; F5-A24 HydrophobicContact CZ-CB 3.75Å
6A43.5Very low66.1Low90 Ų9081.5 Ų81.574%0.74449%0.485SS*.  trans-98.743.8-176.400000112.1A4A4-A6 PolarHBondContact O-N 2.91Å
7F51.6Low67.7Low86 Ų8680.2 Ų80.238%0.37747%0.473SS..  trans-123.554.6179.9-63.3-64.4000111.4F5 Y294F5-F7 PolarHBondContact O-N 3.45Å; F7-Y294 HydrophobicContact CB-CE1 4.09Å; F7-Y294 WeakPolarHBondContact O-CE1 3.42Å
8K60.1Low69.2Low124 Ų12475.7 Ų75.754%0.53945%0.446SS..  trans-111.2129.2174.8-66.1-166.7168.6-126.40110.4D262 D293K8-D262 IonicContact NZ-OD1 3.19Å; K8-D262 PolarHBondContact NZ-OD1 3.25Å; K8-D293 WeakPolarHBondContact CD-OD1 3.38Å; K8-D293 WeakPolarHBondContact CG-OD1 3.04Å; K8-D293 IonicContact NZ-OD1 3.46Å; K8-D293 PolarHBondContact NZ-OD1 3.25Å
9G75.8Confident70.4Confident17 Ų1773.9 Ų73.918%0.17543%0.431CS..SBendtrans124.183.3169.700000114.5Q11 R280 D293G9-Q11 VanDerWaalsContact C-N 3.32Å; G9-Q11 PolarHBondContact O-N 3.37Å; G9-R280 VanDerWaalsContact O-CZ 3.24Å; G9-R280 PolarHBondContact O-NH1 3.27Å; G9-D293 PolarHBondContact N-O 3.33Å
10C87.9Confident71.5Confident11 Ų1173.2 Ų73.27%0.07443%0.427CS..SBendtrans46.949.8172.4-168.30000113.1A276 V291 P292C10-A276 VanDerWaalsContact SG-CB 3.58Å; C10-V291 HydrophobicContact CB-CG1 3.86Å; C10-P292 VanDerWaalsContact CA-O 3.31Å; C10-P292 WeakPolarHBondContact CA-O 3.46Å; C10-P292 HydrophobicContact CB-CG 4.37Å; C10-P292 PolarHBondContact N-O 2.87Å
11Q88.5Confident72.6Confident60 Ų6069.9 Ų69.928%0.2841%0.408SS..EExtended strand (participates in β ladder)trans-101.8126.7-176.7-177175.91.600111.5G9 I13 Q17 D293 Y294 V295G9-Q11 VanDerWaalsContact C-N 3.32Å; G9-Q11 PolarHBondContact O-N 3.37Å; Q11-I13 HydrophobicContact CG-CG2 4.26Å; Q11-I13 PolarHBondContact O-N 2.92Å; Q11-Q17 VanDerWaalsContact NE2-NE2 3.12Å; Q11-D293 PolarHBondContact N-O 2.94Å; Q11-Y294 CarbonylContact O-C 3.48Å; Q11-Y294 WeakPolarHBondContact O-CA 3.4Å; Q11-V295 PolarHBondContact O-N 2.73Å
12K94.5Very high75.6Confident80 Ų8058.7 Ų58.735%0.34835%0.353SS..EExtended strand (participates in β ladder)trans-71.5123.1169.8-161.9169.1-172.1170.20110.7V295 D297K12-V295 CarbonylContact C-O 3.51Å; K12-V295 VanDerWaalsContact CA-O 3.26Å; K12-V295 WeakPolarHBondContact CA-O 3.39Å; K12-D297 WeakPolarHBondContact CE-OD1 3.26Å; K12-D297 WeakPolarHBondContact CE-OD2 3.41Å; K12-D297 IonicContact NZ-OD1 3.91Å; K12-D297 PolarHBondContact NZ-OD1 3.43Å; K12-D297 IonicContact NZ-OD2 2.69Å; K12-D297 PolarHBondContact NZ-OD2 3.34Å
13I95.1Very high78.4Confident2 Ų260.4 Ų60.41%0.0134%0.343CS..  trans-116.8148.4-17765.5166.9000112.2Q11 Q17 I18 L21 M264 Y294 V295 V296Q11-I13 HydrophobicContact CG-CG2 4.26Å; Q11-I13 PolarHBondContact O-N 2.92Å; I13-Q17 HydrophobicContact CB-CB 3.91Å; I13-Q17 HydrophobicContact CG2-CB 4.2Å; I13-I18 HydrophobicContact CD1-CG1 3.77Å; I13-I18 HydrophobicContact CG1-CG1 3.91Å; I13-L21 HydrophobicContact CD1-CD2 3.95Å; I13-M264 HydrophobicContact CD1-CE 3.59Å; I13-M264 HydrophobicContact CG1-CE 4.27Å; I13-Y294 HydrophobicContact CD1-CD1 4Å; I13-Y294 HydrophobicContact CD1-CG 4.07Å; I13-Y294 HydrophobicContact CG2-CD1 3.83Å; I13-V295 PolarHBondContact N-O 3.12Å; I13-V296 HydrophobicContact CG1-CG1 4.03Å
14R93.3Very high81.2Confident136 Ų13658.8 Ų58.851%0.51332%0.324SS..  trans-150.2161.2178.5-61.9-175.2175.7171.2-4.6111.4A16 Q17 D297R14-A16 PolarHBondContact O-N 2.81Å; R14-Q17 PolarHBondContact O-N 3.13Å; R14-Q17 VanDerWaalsContact O-N 3.11Å; R14-D297 IonicContact CZ-OD2 2.69Å; R14-D297 IonicContact NH2-OD2 3.6Å; R14-D297 PolarHBondContact NH2-OD2 2.8Å
15G90.3Very high83.9Confident22 Ų2254.6 Ų54.623%0.22729%0.288CS..THydrogen-bonded Turntrans51.4-117.5168.500000113.5Q17 I18 R19G15-Q17 PolarHBondContact O-N 3.25Å; G15-I18 WeakPolarHBondContact O-CB 3.5Å; G15-I18 PolarHBondContact O-N 3.42Å; G15-R19 PolarHBondContact O-N 3.21Å; G15-R19 VanDerWaalsContact O-N 3.16Å
16A89.3Confident86.2Confident55 Ų5552 Ų5246%0.45528%0.279SS..Hα-helixtrans-56.4-32.5-17800000114.5R14 I18 R19 V20R14-A16 PolarHBondContact O-N 2.81Å; A16-I18 VanDerWaalsContact C-N 3.34Å; A16-R19 VanDerWaalsContact CA-CZ 3.48Å; A16-R19 PolarHBondContact O-N 3.46Å; A16-V20 WeakPolarHBondContact O-CG2 3.43Å; A16-V20 PolarHBondContact O-N 2.62Å; A16-V20 VanDerWaalsContact O-N 3.11Å
17Q93Very high88.8Confident59 Ų5948.5 Ų48.528%0.27625%0.247SC..Hα-helixtrans-69-35.6178-62.3176.8-64.400111.7Q11 I13 R14 G15 L21Q11-Q17 VanDerWaalsContact NE2-NE2 3.12Å; I13-Q17 HydrophobicContact CB-CB 3.91Å; I13-Q17 HydrophobicContact CG2-CB 4.2Å; R14-Q17 PolarHBondContact O-N 3.13Å; R14-Q17 VanDerWaalsContact O-N 3.11Å; G15-Q17 PolarHBondContact O-N 3.25Å; Q17-L21 PolarHBondContact O-N 3.17Å; Q17-L21 VanDerWaalsContact O-N 3.16Å
18I95Very high91Very high0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-68.9-37.9174.5-66173.7000110.1I13 G15 A16 V20 L21 L22 V296 D301 F302 A305I13-I18 HydrophobicContact CD1-CG1 3.77Å; I13-I18 HydrophobicContact CG1-CG1 3.91Å; G15-I18 WeakPolarHBondContact O-CB 3.5Å; G15-I18 PolarHBondContact O-N 3.42Å; A16-I18 VanDerWaalsContact C-N 3.34Å; I18-V20 PolarHBondContact O-N 3.02Å; I18-L21 WeakPolarHBondContact O-CB 3.35Å; I18-L21 PolarHBondContact O-N 3.18Å; I18-L21 VanDerWaalsContact O-N 3.15Å; I18-L22 HydrophobicContact CG2-CD1 4.03Å; I18-L22 HydrophobicContact CG2-CG 4.19Å; I18-L22 VanDerWaalsContact O-CG 3.32Å; I18-L22 WeakPolarHBondContact O-CG 3.36Å; I18-L22 PolarHBondContact O-N 2.95Å; I18-V296 HydrophobicContact CD1-CG1 4.41Å; I18-D301 HydrophobicContact CD1-CB 4.05Å; I18-D301 VanDerWaalsContact CD1-O 3.28Å; I18-D301 WeakPolarHBondContact CD1-O 3.42Å; I18-F302 HydrophobicContact CD1-CD2 4.22Å; I18-F302 HydrophobicContact CD1-CE2 4.48Å; I18-F302 HydrophobicContact CG2-CB 4.39Å; I18-F302 HydrophobicContact CG2-CD1 3.8Å; I18-F302 HydrophobicContact CG2-CD2 4.03Å; I18-F302 HydrophobicContact CG2-CE1 4.01Å; I18-F302 HydrophobicContact CG2-CE2 4.22Å; I18-F302 HydrophobicContact CG2-CG 3.81Å; I18-F302 HydrophobicContact CG2-CZ 4.21Å; I18-A305 HydrophobicContact CB-CB 4.15Å; I18-A305 HydrophobicContact CG2-CB 3.87Å
19R92.6Very high92.8Very high41 Ų4138.5 Ų38.516%0.15520%0.203CC..Hα-helixtrans-59.1-47.5174.6-69.8-166.7-66.4-89.220.8112.6G15 A16 L21 L22 E23 A305 E308 I309G15-R19 PolarHBondContact O-N 3.21Å; G15-R19 VanDerWaalsContact O-N 3.16Å; A16-R19 VanDerWaalsContact CA-CZ 3.48Å; A16-R19 PolarHBondContact O-N 3.46Å; R19-L21 PolarHBondContact O-N 3.48Å; R19-L22 WeakPolarHBondContact O-CB 3.35Å; R19-L22 PolarHBondContact O-N 3.24Å; R19-L22 VanDerWaalsContact O-N 3.08Å; R19-E23 WeakPolarHBondContact O-CG 3.49Å; R19-E23 PolarHBondContact O-N 3.08Å; R19-A305 HydrophobicContact CG-CB 3.74Å; R19-E308 IonicContact CZ-OE2 3.82Å; R19-E308 IonicContact NH1-OE1 2.69Å; R19-E308 PolarHBondContact NH1-OE1 2.95Å; R19-E308 IonicContact NH1-OE2 3.01Å; R19-E308 PolarHBondContact NH1-OE2 2.69Å; R19-E308 IonicContact NH2-OE2 3.41Å; R19-E308 PolarHBondContact NH2-OE2 3.43Å; R19-I309 HydrophobicContact CG-CD1 4.17Å; R19-I309 HydrophobicContact CG-CG1 4.32Å
20V92.7Very high93.9Very high59 Ų5937.7 Ų37.736%0.35820%0.195SC..Hα-helixtrans-58.2-37.5176.4166.20000111.2F5 A16 I18 A24F5-V20 HydrophobicContact CD1-CG1 4.01Å; F5-V20 HydrophobicContact CE1-CG1 3.21Å; F5-V20 HydrophobicContact CZ-CG1 3.79Å; A16-V20 WeakPolarHBondContact O-CG2 3.43Å; A16-V20 PolarHBondContact O-N 2.62Å; A16-V20 VanDerWaalsContact O-N 3.11Å; I18-V20 PolarHBondContact O-N 3.02Å; V20-A24 WeakPolarHBondContact O-CB 3.42Å; V20-A24 PolarHBondContact O-N 3.28Å
21L93.9Very high94.4Very high4 Ų437.7 Ų37.72%0.02119%0.194CC..Hα-helixtrans-69.2-42.9173.8-171.766.8000112.5I13 Q17 I18 R19 E23 A24 K25 L243 M264 Y294I13-L21 HydrophobicContact CD1-CD2 3.95Å; Q17-L21 PolarHBondContact O-N 3.17Å; Q17-L21 VanDerWaalsContact O-N 3.16Å; I18-L21 WeakPolarHBondContact O-CB 3.35Å; I18-L21 PolarHBondContact O-N 3.18Å; I18-L21 VanDerWaalsContact O-N 3.15Å; R19-L21 PolarHBondContact O-N 3.48Å; L21-E23 VanDerWaalsContact C-N 3.27Å; L21-E23 PolarHBondContact O-N 3.38Å; L21-A24 PolarHBondContact O-N 2.69Å; L21-A24 VanDerWaalsContact O-N 3.17Å; L21-K25 HydrophobicContact CD1-CD 4.41Å; L21-K25 HydrophobicContact CD1-CG 3.7Å; L21-K25 HydrophobicContact CG-CG 4.1Å; L21-K25 WeakPolarHBondContact O-CB 3.34Å; L21-K25 VanDerWaalsContact O-CG 3.26Å; L21-K25 WeakPolarHBondContact O-CG 3.12Å; L21-K25 PolarHBondContact O-N 3.16Å; L21-L243 HydrophobicContact CD1-CD1 4.47Å; L21-L243 HydrophobicContact CD2-CD1 4.32Å; L21-L243 HydrophobicContact CD2-CD2 3.67Å; L21-L243 HydrophobicContact CG-CD2 4.28Å; L21-M264 HydrophobicContact CD2-CE 3.37Å; L21-Y294 HydrophobicContact CD1-CD2 4.26Å; L21-Y294 HydrophobicContact CD1-CE2 3.63Å; L21-Y294 HydrophobicContact CD2-CD2 4.2Å; L21-Y294 HydrophobicContact CD2-CE2 4.38Å
22L94.8Very high94.8Very high10 Ų1034.9 Ų34.95%0.05218%0.181CC..Hα-helixtrans-60.3-36.5177.2-74.8170000112.5I18 R19 F28 L53 K58 F302 A305 F306 I309I18-L22 HydrophobicContact CG2-CD1 4.03Å; I18-L22 HydrophobicContact CG2-CG 4.19Å; I18-L22 VanDerWaalsContact O-CG 3.32Å; I18-L22 WeakPolarHBondContact O-CG 3.36Å; I18-L22 PolarHBondContact O-N 2.95Å; R19-L22 WeakPolarHBondContact O-CB 3.35Å; R19-L22 PolarHBondContact O-N 3.24Å; R19-L22 VanDerWaalsContact O-N 3.08Å; L22-F28 HydrophobicContact CD2-CE1 4.26Å; L22-F28 HydrophobicContact CD2-CZ 3.82Å; L22-L53 HydrophobicContact CD2-CD2 3.51Å; L22-K58 WeakPolarHBondContact O-CE 3.47Å; L22-K58 PolarHBondContact O-NZ 3.15Å; L22-F302 HydrophobicContact CD2-CD1 3.85Å; L22-F302 HydrophobicContact CD2-CE1 3.91Å; L22-F302 HydrophobicContact CG-CD1 4.35Å; L22-F302 HydrophobicContact CG-CE1 4.43Å; L22-A305 HydrophobicContact CD1-CB 4.11Å; L22-F306 HydrophobicContact CD1-CD1 3.85Å; L22-F306 HydrophobicContact CD1-CE1 3.46Å; L22-F306 VanDerWaalsContact CD1-CE1 3.46Å; L22-F306 HydrophobicContact CD1-CZ 4.35Å; L22-F306 HydrophobicContact CD2-CE1 3.77Å; L22-F306 HydrophobicContact CD2-CZ 4.26Å; L22-F306 HydrophobicContact CG-CE1 4.28Å; L22-I309 HydrophobicContact CD1-CD1 4.47Å
23E93.1Very high94.9Very high142 Ų14233.7 Ų33.766%0.66418%0.178SC*.Hα-helixtrans-70.9-39.1174.8-71.7172.1-165.900111.9R19 L21R19-E23 WeakPolarHBondContact O-CG 3.49Å; R19-E23 PolarHBondContact O-N 3.08Å; L21-E23 VanDerWaalsContact C-N 3.27Å; L21-E23 PolarHBondContact O-N 3.38Å
24A94.1Very high94.9Very high31 Ų3133.7 Ų33.726%0.25618%0.179SC..Hα-helixtrans-78.4-20.6-175.900000114.8F5 V20 L21F5-A24 HydrophobicContact CE1-CB 3.87Å; F5-A24 HydrophobicContact CZ-CB 3.75Å; V20-A24 WeakPolarHBondContact O-CB 3.42Å; V20-A24 PolarHBondContact O-N 3.28Å; L21-A24 PolarHBondContact O-N 2.69Å; L21-A24 VanDerWaalsContact O-N 3.17Å
25K96.1Very high95.1Very high8 Ų827.2 Ų27.24%0.03515%0.154CC..  trans-114129.7-171.6-57.7-61.6173.21780112.1L21 F28 K58 A240 Q241 L243 D262L21-K25 HydrophobicContact CD1-CD 4.41Å; L21-K25 HydrophobicContact CD1-CG 3.7Å; L21-K25 HydrophobicContact CG-CG 4.1Å; L21-K25 WeakPolarHBondContact O-CB 3.34Å; L21-K25 VanDerWaalsContact O-CG 3.26Å; L21-K25 WeakPolarHBondContact O-CG 3.12Å; L21-K25 PolarHBondContact O-N 3.16Å; K25-F28 HydrophobicContact CB-CE1 4.43Å; K25-F28 HydrophobicContact CB-CE2 4.04Å; K25-F28 HydrophobicContact CB-CZ 3.78Å; K25-F28 WeakPolarHBondContact O-CE2 3.33Å; K25-K58 WeakPolarHBondContact O-CD 3.46Å; K25-K58 VanDerWaalsContact O-CE 3.31Å; K25-K58 WeakPolarHBondContact O-CE 3.31Å; K25-K58 PolarHBondContact O-NZ 3.49Å; K25-A240 PolarHBondContact NZ-O 2.88Å; K25-Q241 WeakPolarHBondContact CA-O 3.18Å; K25-L243 HydrophobicContact CD-CB 4.47Å; K25-L243 HydrophobicContact CG-CB 4.24Å; K25-D262 WeakPolarHBondContact CE-OD2 3.31Å; K25-D262 IonicContact NZ-OD1 2.62Å; K25-D262 IonicContact NZ-OD2 3.25Å; K25-D262 PolarHBondContact NZ-OD2 3.15Å
26D95.3Very high95.5Very high55 Ų5526.1 Ų26.129%0.29414%0.143SC..SBendtrans-103.1-23.5178.9-68.5-31000112.5K58 N59 Q241D26-K58 IonicContact OD1-NZ 3.62Å; D26-K58 PolarHBondContact OD1-NZ 3.11Å; D26-N59 PolarHBondContact O-N 3.23Å; D26-Q241 HydrophobicContact CB-CB 4.47Å; D26-Q241 PolarHBondContact N-O 3.47Å; D26-Q241 PolarHBondContact OD2-NE2 3.42Å
27F97.3Very high95.8Very high16 Ų1623.5 Ų23.57%0.0712%0.122CC..EExtended strand (participates in β ladder)trans-118.9129179.5-75.1-98.4000111.1L29 N59 F234 I237 Q241 C242 L243F27-L29 HydrophobicContact CB-CD1 4.1Å; F27-N59 CarbonylContact C-O 3.59Å; F27-N59 WeakPolarHBondContact CA-O 3.34Å; F27-N59 HydrophobicContact CD1-CB 3.32Å; F27-N59 HydrophobicContact CD2-CB 4.32Å; F27-N59 HydrophobicContact CE1-CB 3.33Å; F27-N59 HydrophobicContact CE2-CB 4.33Å; F27-N59 WeakPolarHBondContact CE2-ND2 3.28Å; F27-N59 HydrophobicContact CG-CB 3.85Å; F27-N59 HydrophobicContact CZ-CB 3.86Å; F27-N59 WeakPolarHBondContact CZ-ND2 3.38Å; F27-F234 HydrophobicContact CE1-CB 3.92Å; F27-F234 AromaticContact CE1-CD1 3.82Å; F27-F234 HydrophobicContact CE1-CD1 3.82Å; F27-F234 HydrophobicContact CE1-CD2 4.34Å; F27-F234 HydrophobicContact CE1-CE1 4.46Å; F27-F234 AromaticContact CE1-CG 3.76Å; F27-F234 HydrophobicContact CE1-CG 3.76Å; F27-F234 HydrophobicContact CZ-CB 4.14Å; F27-F234 HydrophobicContact CZ-CD1 4.4Å; F27-F234 HydrophobicContact CZ-CG 4.4Å; F27-I237 HydrophobicContact CB-CD1 4.48Å; F27-I237 HydrophobicContact CD1-CD1 3.61Å; F27-I237 HydrophobicContact CD1-CG1 4.15Å; F27-I237 HydrophobicContact CD2-CD1 4.34Å; F27-I237 HydrophobicContact CD2-CG1 3.99Å; F27-I237 HydrophobicContact CE1-CD1 3.84Å; F27-I237 HydrophobicContact CE1-CG1 4.19Å; F27-I237 HydrophobicContact CE2-CB 4.49Å; F27-I237 HydrophobicContact CE2-CG1 4.03Å; F27-I237 HydrophobicContact CG-CD1 3.89Å; F27-I237 HydrophobicContact CG-CG1 4.06Å; F27-I237 HydrophobicContact CZ-CB 4.37Å; F27-I237 HydrophobicContact CZ-CD1 4.3Å; F27-I237 HydrophobicContact CZ-CG1 4.13Å; F27-Q241 PolarHBondContact N-O 3.46Å; F27-C242 HydrophobicContact CB-CB 4.23Å; F27-C242 CarbonylContact O-C 3.56Å; F27-C242 WeakPolarHBondContact O-CA 3.49Å; F27-L243 PolarHBondContact O-N 3.25Å
28F98.1Very high95.9Very high0 Ų025 Ų250%013%0.129CC..EExtended strand (participates in β ladder)trans-119.4109.1175.6-67.9-98.4000108.8L22 K25 F30 L53 K58 N59 V60 V61 L243 F302L22-F28 HydrophobicContact CD2-CE1 4.26Å; L22-F28 HydrophobicContact CD2-CZ 3.82Å; K25-F28 HydrophobicContact CB-CE1 4.43Å; K25-F28 HydrophobicContact CB-CE2 4.04Å; K25-F28 HydrophobicContact CB-CZ 3.78Å; K25-F28 WeakPolarHBondContact O-CE2 3.33Å; F28-F30 HydrophobicContact CB-CD2 4.19Å; F28-F30 HydrophobicContact CB-CE2 3.53Å; F28-F30 HydrophobicContact CB-CZ 4.11Å; F28-F30 HydrophobicContact CD1-CZ 4.35Å; F28-F30 HydrophobicContact CG-CE2 4.4Å; F28-L53 HydrophobicContact CB-CD1 4.43Å; F28-L53 HydrophobicContact CD1-CD1 4.23Å; F28-L53 HydrophobicContact CD2-CD2 4.24Å; F28-L53 HydrophobicContact CE1-CD2 4.4Å; F28-L53 HydrophobicContact CE2-CD2 4.04Å; F28-L53 HydrophobicContact CG-CD1 4.14Å; F28-L53 HydrophobicContact CZ-CD2 4.14Å; F28-K58 HydrophobicContact CD2-CB 4Å; F28-K58 HydrophobicContact CD2-CG 4.37Å; F28-K58 HydrophobicContact CE2-CB 4.09Å; F28-K58 HydrophobicContact CE2-CD 4.05Å; F28-K58 HydrophobicContact CE2-CG 3.94Å; F28-N59 PolarHBondContact N-O 3.21Å; F28-V60 WeakPolarHBondContact O-CA 3.45Å; F28-V61 PolarHBondContact O-N 2.63Å; F28-L243 HydrophobicContact CD1-CB 4.31Å; F28-L243 HydrophobicContact CD1-CD2 3.84Å; F28-L243 HydrophobicContact CE1-CB 4.47Å; F28-L243 HydrophobicContact CE1-CD2 3.69Å; F28-F302 AromaticContact CE1-CE1 3.97Å; F28-F302 HydrophobicContact CE1-CE1 3.97Å
29L98.6Very high95.6Very high0 Ų027.1 Ų27.10%015%0.15CC..EExtended strand (participates in β ladder)trans-96.3114.4175.8-75.467.6000107.1F27 V61 V63 F227 I230 C242 L243 M244 V245 F255 L261F27-L29 HydrophobicContact CB-CD1 4.1Å; L29-V61 CarbonylContact C-O 3.56Å; L29-V61 VanDerWaalsContact CA-O 3.3Å; L29-V61 WeakPolarHBondContact CA-O 3.24Å; L29-V61 HydrophobicContact CG-CB 4.21Å; L29-V63 HydrophobicContact CB-CG2 4.01Å; L29-V63 HydrophobicContact CD2-CG2 4.17Å; L29-V63 HydrophobicContact CG-CG2 4.12Å; L29-F227 HydrophobicContact CD2-CD2 3.92Å; L29-F227 HydrophobicContact CD2-CE2 4.15Å; L29-I230 HydrophobicContact CD2-CD1 3.74Å; L29-I230 HydrophobicContact CG-CD1 4.42Å; L29-C242 HydrophobicContact CD1-CB 4.42Å; L29-L243 PolarHBondContact N-O 3.38Å; L29-M244 HydrophobicContact CB-SD 3.8Å; L29-M244 CarbonylContact O-C 3.57Å; L29-M244 WeakPolarHBondContact O-CA 3.31Å; L29-V245 PolarHBondContact O-N 3.31Å; L29-F255 HydrophobicContact CD2-CE1 4.17Å; L29-L261 HydrophobicContact CD2-CD1 3.98Å
30F98.8Very high95.5Very high1 Ų129.1 Ų29.10%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-104.5130.1177.7-69.9-83.6000110F28 V35 L53 V60 V61 F62 V63 V245 I299F28-F30 HydrophobicContact CB-CD2 4.19Å; F28-F30 HydrophobicContact CB-CE2 3.53Å; F28-F30 HydrophobicContact CB-CZ 4.11Å; F28-F30 HydrophobicContact CD1-CZ 4.35Å; F28-F30 HydrophobicContact CG-CE2 4.4Å; F30-V35 HydrophobicContact CD1-CG1 3.96Å; F30-L53 HydrophobicContact CE2-CD1 3.77Å; F30-L53 HydrophobicContact CZ-CD1 3.67Å; F30-V60 HydrophobicContact CD2-CG1 3.81Å; F30-V60 HydrophobicContact CE2-CG1 3.97Å; F30-V61 PolarHBondContact N-O 2.74Å; F30-F62 HydrophobicContact CB-CD1 4.17Å; F30-F62 HydrophobicContact CB-CE1 4.45Å; F30-F62 CarbonylContact O-C 3.27Å; F30-F62 WeakPolarHBondContact O-CA 3.4Å; F30-V63 PolarHBondContact O-N 3.18Å; F30-V245 HydrophobicContact CD1-CB 3.59Å; F30-V245 HydrophobicContact CD1-CG1 3.87Å; F30-V245 HydrophobicContact CD1-CG2 4Å; F30-V245 HydrophobicContact CE1-CB 3.78Å; F30-V245 HydrophobicContact CE1-CG1 3.89Å; F30-V245 HydrophobicContact CE1-CG2 3.72Å; F30-V245 HydrophobicContact CG-CB 4.43Å; F30-V245 HydrophobicContact CZ-CG2 4.31Å; F30-I299 HydrophobicContact CD1-CD1 4.46Å; F30-I299 HydrophobicContact CE1-CD1 4.2Å; F30-I299 HydrophobicContact CE1-CG2 4.12Å
31D98.4Very high95.6Very high11 Ų1132 Ų326%0.05918%0.175CC..  trans-61.5160.8152.1-177.860.9000110.7D33 V35 V63 K221 M244 V245D31-D33 PolarHBondContact OD2-N 3.48Å; D31-D33 VanDerWaalsContact OD2-N 3.16Å; D31-V35 HydrophobicContact CB-CG2 3.8Å; D31-V35 WeakPolarHBondContact O-CB 3.11Å; D31-V63 WeakPolarHBondContact CA-O 3.26Å; D31-K221 VanDerWaalsContact CG-NZ 3.27Å; D31-K221 IonicContact OD1-NZ 3.77Å; D31-K221 PolarHBondContact OD1-NZ 3.32Å; D31-M244 HydrophobicContact CB-CE 4.13Å; D31-V245 PolarHBondContact N-O 2.89Å
32C97.3Very high95.8Very high0 Ų033.6 Ų33.60%019%0.188CC..SBendtrans-96.3-65.9-176.7-74.30000113G34 V35 I36 W37C32-G34 PolarHBondContact O-N 3.11Å; C32-V35 PolarHBondContact O-N 3.3Å; C32-I36 HydrophobicContact CB-CD1 4.34Å; C32-I36 HydrophobicContact CB-CG1 4.45Å; C32-I36 WeakPolarHBondContact O-CG1 3.44Å; C32-I36 PolarHBondContact O-N 3.09Å; C32-I36 VanDerWaalsContact O-N 3.12Å; C32-W37 HydrophobicContact CB-CH2 4.06Å; C32-W37 HydrophobicContact CB-CZ2 3.44Å; C32-W37 VanDerWaalsContact CB-CZ2 3.44Å; C32-W37 PolarHBondContact O-N 3.47Å
33D95.4Very high95.9Very high55 Ų5533.9 Ų33.929%0.29419%0.19SC..BIsolated β-bridgetrans-85106.8-166.8-75-63.6000109.4D31 W37 N66D31-D33 PolarHBondContact OD2-N 3.48Å; D31-D33 VanDerWaalsContact OD2-N 3.16Å; D33-W37 VanDerWaalsContact OD1-CD1 3.23Å; D33-W37 PolarHBondContact OD1-NE1 2.73Å; D33-N66 PolarHBondContact OD2-ND2 3.48Å
34G95.4Very high96.1Very high2 Ų233.4 Ų33.42%0.02120%0.197CC..THydrogen-bonded Turntrans108-13.7-17300000113.6C32 W37 T268 G269C32-G34 PolarHBondContact O-N 3.11Å; G34-W37 PolarHBondContact N-O 2.93Å; G34-T268 CarbonylContact O-C 3.59Å; G34-T268 VanDerWaalsContact O-CB 3.29Å; G34-T268 WeakPolarHBondContact O-CB 3.45Å; G34-T268 PolarHBondContact O-OG1 3.42Å; G34-G269 PolarHBondContact O-N 3.23Å
35V98.2Very high96.3Very high0 Ų032.7 Ų32.70%019%0.193CC..THydrogen-bonded Turntrans-115.1-52.9-176.4179.20000112.9F30 D31 C32 I43 V245 D247 T266 I299F30-V35 HydrophobicContact CD1-CG1 3.96Å; D31-V35 HydrophobicContact CB-CG2 3.8Å; D31-V35 WeakPolarHBondContact O-CB 3.11Å; C32-V35 PolarHBondContact O-N 3.3Å; V35-I43 WeakPolarHBondContact O-CD1 3.35Å; V35-V245 HydrophobicContact CG1-CG1 4.03Å; V35-D247 HydrophobicContact CG2-CB 3.94Å; V35-T266 HydrophobicContact CB-CG2 4.07Å; V35-T266 HydrophobicContact CG1-CG2 3.98Å; V35-T266 HydrophobicContact CG2-CG2 3.67Å; V35-I299 HydrophobicContact CG1-CG2 3.93Å
36I97.8Very high96.4Very high0 Ų032.3 Ų32.30%019%0.191CC..THydrogen-bonded Turntrans-106.3-20.9178.854.7169.9000112.6C32 I43 A46 V50 F62 F78 F83 I299C32-I36 HydrophobicContact CB-CD1 4.34Å; C32-I36 HydrophobicContact CB-CG1 4.45Å; C32-I36 WeakPolarHBondContact O-CG1 3.44Å; C32-I36 PolarHBondContact O-N 3.09Å; C32-I36 VanDerWaalsContact O-N 3.12Å; I36-I43 PolarHBondContact O-N 2.97Å; I36-A46 HydrophobicContact CB-CB 4.33Å; I36-V50 HydrophobicContact CG2-CG2 4.33Å; I36-F62 HydrophobicContact CD1-CD1 3.9Å; I36-F62 HydrophobicContact CD1-CE1 4.04Å; I36-F78 HydrophobicContact CD1-CD1 4.41Å; I36-F78 HydrophobicContact CD1-CE1 3.39Å; I36-F78 HydrophobicContact CD1-CZ 3.81Å; I36-F83 HydrophobicContact CB-CE1 3.98Å; I36-F83 HydrophobicContact CB-CZ 3.77Å; I36-F83 HydrophobicContact CG2-CE1 4.2Å; I36-F83 HydrophobicContact CG2-CZ 4.46Å; I36-I299 HydrophobicContact CG2-CD1 3.69Å
37W96.8Very high96.5Very high0 Ų030.5 Ų30.50%018%0.184CC..EExtended strand (participates in β ladder)trans-152.6164.8175.258.861.1000113.5C32 D33 G34 N41 Y74 K77 F78 L81 F83C32-W37 HydrophobicContact CB-CH2 4.06Å; C32-W37 HydrophobicContact CB-CZ2 3.44Å; C32-W37 VanDerWaalsContact CB-CZ2 3.44Å; C32-W37 PolarHBondContact O-N 3.47Å; D33-W37 VanDerWaalsContact OD1-CD1 3.23Å; D33-W37 PolarHBondContact OD1-NE1 2.73Å; G34-W37 PolarHBondContact N-O 2.93Å; W37-N41 CarbonylContact C-O 3.55Å; W37-N41 VanDerWaalsContact CA-O 3.24Å; W37-N41 WeakPolarHBondContact CA-O 3.43Å; W37-N41 WeakPolarHBondContact CB-O 3.25Å; W37-Y74 HydrophobicContact CH2-CD1 4.21Å; W37-Y74 HydrophobicContact CZ2-CD1 4.16Å; W37-Y74 HydrophobicContact CZ2-CE1 4.28Å; W37-K77 HydrophobicContact CH2-CD 4.22Å; W37-K77 HydrophobicContact CZ2-CD 4.07Å; W37-F78 HydrophobicContact CH2-CD1 4.36Å; W37-F78 HydrophobicContact CH2-CD2 4.28Å; W37-F78 AromaticContact CH2-CE1 3.89Å; W37-F78 HydrophobicContact CH2-CE1 3.89Å; W37-F78 AromaticContact CH2-CE2 3.75Å; W37-F78 HydrophobicContact CH2-CE2 3.75Å; W37-F78 AromaticContact CH2-CZ 3.52Å; W37-F78 HydrophobicContact CH2-CZ 3.52Å; W37-F78 AromaticContact CZ3-CD1 3.72Å; W37-F78 HydrophobicContact CZ3-CD1 3.72Å; W37-F78 HydrophobicContact CZ3-CD2 4.35Å; W37-F78 AromaticContact CZ3-CE1 3.47Å; W37-F78 HydrophobicContact CZ3-CE1 3.47Å; W37-F78 VanDerWaalsContact CZ3-CE1 3.47Å; W37-F78 HydrophobicContact CZ3-CE2 4.09Å; W37-F78 HydrophobicContact CZ3-CG 4.15Å; W37-F78 AromaticContact CZ3-CZ 3.64Å; W37-F78 HydrophobicContact CZ3-CZ 3.64Å; W37-L81 HydrophobicContact CB-CD1 4.03Å; W37-L81 HydrophobicContact CD2-CD1 4.07Å; W37-L81 HydrophobicContact CE3-CD1 3.7Å; W37-L81 HydrophobicContact CG-CD1 4.24Å; W37-L81 HydrophobicContact CZ3-CD1 4.46Å; W37-F83 HydrophobicContact CE3-CE2 4.26Å
38H93.4Very high96.5Very high91 Ų9136.7 Ų36.742%0.42121%0.211SC..EExtended strand (participates in β ladder)trans-120.8111.2161.9-64.7-61.8000109.8E40 N41 T268H38-E40 PolarHBondContact O-N 2.69Å; H38-N41 PolarHBondContact N-O 2.82Å; H38-N41 PolarHBondContact O-N 3.25Å; H38-T268 PolarHBondContact CE1-O 3.45Å; H38-T268 PolarHBondContact NE2-O 3.05Å; H38-T268 VanDerWaalsContact NE2-O 3.07Å
39G89.9Confident96.5Very high44 Ų4436.7 Ų36.745%0.45421%0.211SC..THydrogen-bonded Turntrans58.8-113.3-175.600000111K77G39-K77 WeakPolarHBondContact O-CE 3.48Å; G39-K77 PolarHBondContact O-NZ 3.2Å
40E91.1Very high96.4Very high83 Ų8336.7 Ų36.739%0.38821%0.211SC..THydrogen-bonded Turntrans-102.814.4-178.3-63.5-64.7164.800113.3H38 R69 R80 L81H38-E40 PolarHBondContact O-N 2.69Å; E40-R69 IonicContact OE1-NH2 2.66Å; E40-R69 PolarHBondContact OE1-NH2 3.38Å; E40-R80 IonicContact OE1-NH2 2.84Å; E40-R80 IonicContact OE2-CZ 2.69Å; E40-R80 IonicContact OE2-NE 3.83Å; E40-R80 IonicContact OE2-NH2 2.59Å; E40-R80 PolarHBondContact OE2-NH2 3.2Å; E40-L81 WeakPolarHBondContact O-CD2 3.33Å
41N94.3Very high96.3Very high119 Ų11937.4 Ų37.464%0.63622%0.215SC*.EExtended strand (participates in β ladder)trans-119.7124.6179.3-59-65.3000110.5W37 H38W37-N41 CarbonylContact C-O 3.55Å; W37-N41 VanDerWaalsContact CA-O 3.24Å; W37-N41 WeakPolarHBondContact CA-O 3.43Å; W37-N41 WeakPolarHBondContact CB-O 3.25Å; H38-N41 PolarHBondContact N-O 2.82Å; H38-N41 PolarHBondContact O-N 3.25Å
42A97.4Very high96.2Very high37 Ų3737.2 Ų37.231%0.30621%0.214SC..EExtended strand (participates in β ladder)trans-61.3141.2170.600000110.3T44 L81 F83A42-T44 PolarHBondContact O-N 3.09Å; A42-L81 HydrophobicContact CB-CB 4.22Å; A42-F83 HydrophobicContact CB-CE2 4.18Å
43I97.6Very high96.2Very high16 Ų1637.2 Ų37.28%0.08221%0.214CC..PPolyproline II helixtrans-65.7134.2167.2-74.8162.8000107.8V35 I36 G45 A46 T268V35-I43 WeakPolarHBondContact O-CD1 3.35Å; I36-I43 PolarHBondContact O-N 2.97Å; I43-G45 PolarHBondContact O-N 3.21Å; I43-G45 VanDerWaalsContact O-N 3.12Å; I43-A46 HydrophobicContact CB-CB 4.09Å; I43-A46 HydrophobicContact CG2-CB 4.46Å; I43-A46 WeakPolarHBondContact O-CB 3.38Å; I43-A46 PolarHBondContact O-N 3.11Å; I43-T268 HydrophobicContact CD1-CG2 4.23Å; I43-T268 HydrophobicContact CG2-CG2 4.14Å
44T97.9Very high96.2Very high132 Ų13236.3 Ų36.381%0.8121%0.209SC*.THydrogen-bonded Turntrans-53.3121.3-177.1-59.60000110.6A42 A46 A300A42-T44 PolarHBondContact O-N 3.09Å; T44-A46 VanDerWaalsContact C-N 3.33Å; T44-A46 PolarHBondContact O-N 3.31Å; T44-A300 WeakPolarHBondContact O-CB 3.45Å
45G97.4Very high96.1Very high17 Ų1744.9 Ų44.918%0.17524%0.241CC..THydrogen-bonded Turntrans87.7-16.1179.800000115.4I43 A47 K48 V49I43-G45 PolarHBondContact O-N 3.21Å; I43-G45 VanDerWaalsContact O-N 3.12Å; G45-A47 PolarHBondContact O-N 3.19Å; G45-K48 WeakPolarHBondContact O-CB 3.4Å; G45-K48 PolarHBondContact O-N 2.88Å; G45-K48 VanDerWaalsContact O-N 3.11Å; G45-V49 WeakPolarHBondContact O-CG2 3.4Å; G45-V49 PolarHBondContact O-N 2.83Å; G45-V49 VanDerWaalsContact O-N 3.09Å
46A97.9Very high95.9Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-56.7-49-177.100000113.1I36 I43 T44 K48 V49 V50 F83 I299I36-A46 HydrophobicContact CB-CB 4.33Å; I43-A46 HydrophobicContact CB-CB 4.09Å; I43-A46 HydrophobicContact CG2-CB 4.46Å; I43-A46 WeakPolarHBondContact O-CB 3.38Å; I43-A46 PolarHBondContact O-N 3.11Å; T44-A46 VanDerWaalsContact C-N 3.33Å; T44-A46 PolarHBondContact O-N 3.31Å; A46-K48 VanDerWaalsContact C-N 3.3Å; A46-K48 PolarHBondContact O-N 3.15Å; A46-V49 PolarHBondContact O-N 3.01Å; A46-V49 VanDerWaalsContact O-N 3.14Å; A46-V50 PolarHBondContact O-N 3.25Å; A46-F83 HydrophobicContact CB-CE1 4.21Å; A46-F83 HydrophobicContact CB-CZ 3.96Å; A46-I299 HydrophobicContact CB-CD1 3.72Å; A46-I299 HydrophobicContact CB-CG1 4.06Å
47A97.6Very high95.7Very high17 Ų1751.6 Ų51.614%0.1429%0.285CS..Hα-helixtrans-59.1-40.2177.600000112.7G45 V49 N51 F83G45-A47 PolarHBondContact O-N 3.19Å; A47-V49 VanDerWaalsContact C-N 3.34Å; A47-V49 PolarHBondContact O-N 3.04Å; A47-N51 WeakPolarHBondContact O-CB 3.21Å; A47-N51 PolarHBondContact O-N 3.41Å; A47-N51 PolarHBondContact O-ND2 3.47Å; A47-F83 VanDerWaalsContact CA-CE1 3.41Å; A47-F83 HydrophobicContact CB-CD1 4.08Å; A47-F83 HydrophobicContact CB-CD2 4.24Å; A47-F83 HydrophobicContact CB-CE1 4.03Å; A47-F83 HydrophobicContact CB-CE2 4.19Å; A47-F83 HydrophobicContact CB-CG 4.17Å; A47-F83 HydrophobicContact CB-CZ 4.07Å
48K97.1Very high95.7Very high145 Ų14553.4 Ų53.463%0.6329%0.293SS*.Hα-helixtrans-63.5-41.3177.2-66.8-176.6178.9-176.90111.3G45 A46 A52 L303G45-K48 WeakPolarHBondContact O-CB 3.4Å; G45-K48 PolarHBondContact O-N 2.88Å; G45-K48 VanDerWaalsContact O-N 3.11Å; A46-K48 VanDerWaalsContact C-N 3.3Å; A46-K48 PolarHBondContact O-N 3.15Å; K48-A52 WeakPolarHBondContact O-CB 3.22Å; K48-A52 PolarHBondContact O-N 2.78Å; K48-L303 HydrophobicContact CB-CD1 4.49Å; K48-L303 HydrophobicContact CB-CD2 3.72Å; K48-L303 HydrophobicContact CD-CD1 4.43Å
49V97.4Very high95.8Very high0 Ų052 Ų520%029%0.289CS..Hα-helixtrans-65.2-50.5179171.80000111.3G45 A46 A47 N51 A52 L53 I299 F302 L303 F306G45-V49 WeakPolarHBondContact O-CG2 3.4Å; G45-V49 PolarHBondContact O-N 2.83Å; G45-V49 VanDerWaalsContact O-N 3.09Å; A46-V49 PolarHBondContact O-N 3.01Å; A46-V49 VanDerWaalsContact O-N 3.14Å; A47-V49 VanDerWaalsContact C-N 3.34Å; A47-V49 PolarHBondContact O-N 3.04Å; V49-N51 PolarHBondContact O-N 3.25Å; V49-A52 WeakPolarHBondContact O-CB 3.2Å; V49-A52 PolarHBondContact O-N 3.07Å; V49-A52 VanDerWaalsContact O-N 3.17Å; V49-L53 HydrophobicContact CG1-CD1 4.09Å; V49-L53 WeakPolarHBondContact O-CG 3.37Å; V49-L53 PolarHBondContact O-N 3.14Å; V49-I299 WeakPolarHBondContact CG2-O 3.32Å; V49-F302 HydrophobicContact CG1-CB 3.88Å; V49-F302 HydrophobicContact CG1-CD1 4.41Å; V49-F302 HydrophobicContact CG1-CG 4.21Å; V49-F302 HydrophobicContact CG2-CB 4.06Å; V49-L303 HydrophobicContact CG2-CD2 3.59Å; V49-L303 HydrophobicContact CG2-CG 3.71Å; V49-F306 HydrophobicContact CB-CE2 4.31Å; V49-F306 HydrophobicContact CG1-CE2 4.06Å; V49-F306 HydrophobicContact CG1-CZ 4.31Å; V49-F306 HydrophobicContact CG2-CE2 4.26Å
50V97.8Very high96.1Very high0 Ų050 Ų500%027%0.268CS..Hα-helixtrans-58.4-51.8179.1165.90000111.1I36 A46 A52 L53 I54 V60 F62 F83 V86I36-V50 HydrophobicContact CG2-CG2 4.33Å; A46-V50 PolarHBondContact O-N 3.25Å; V50-A52 PolarHBondContact O-N 2.95Å; V50-L53 PolarHBondContact O-N 2.87Å; V50-I54 HydrophobicContact CG1-CD1 3.83Å; V50-I54 WeakPolarHBondContact O-CG1 3.4Å; V50-I54 PolarHBondContact O-N 2.83Å; V50-V60 HydrophobicContact CG1-CG1 4.39Å; V50-F62 HydrophobicContact CG1-CE1 4.33Å; V50-F62 HydrophobicContact CG1-CZ 3.71Å; V50-F62 HydrophobicContact CG2-CE1 4.26Å; V50-F62 HydrophobicContact CG2-CZ 4.45Å; V50-F83 HydrophobicContact CB-CD1 3.76Å; V50-F83 HydrophobicContact CB-CE1 4.09Å; V50-F83 HydrophobicContact CG1-CD1 3.88Å; V50-F83 HydrophobicContact CG2-CD1 3.9Å; V50-F83 HydrophobicContact CG2-CE1 3.79Å; V50-V86 HydrophobicContact CG1-CG2 4.19Å
51N96.4Very high96.4Very high17 Ų1746 Ų469%0.09125%0.249CC..Hα-helixtrans-63.8-32.8179.5-60.2-15.3000111.2A47 V49 R55 G82 T84A47-N51 WeakPolarHBondContact O-CB 3.21Å; A47-N51 PolarHBondContact O-N 3.41Å; A47-N51 PolarHBondContact O-ND2 3.47Å; V49-N51 PolarHBondContact O-N 3.25Å; N51-R55 WeakPolarHBondContact O-CB 3.49Å; N51-R55 VanDerWaalsContact O-CG 3.26Å; N51-R55 WeakPolarHBondContact O-CG 3.44Å; N51-R55 PolarHBondContact O-N 2.82Å; N51-R55 PolarHBondContact O-NE 3.28Å; N51-G82 PolarHBondContact ND2-O 2.84Å; N51-T84 PolarHBondContact ND2-OG1 2.95Å; N51-T84 PolarHBondContact OD1-N 2.98Å
52A95.8Very high96.6Very high6 Ų640.4 Ų40.45%0.0522%0.219CC..Hα-helixtrans-68.1-39.4175.100000113K48 V49 V50 R56 F306K48-A52 WeakPolarHBondContact O-CB 3.22Å; K48-A52 PolarHBondContact O-N 2.78Å; V49-A52 WeakPolarHBondContact O-CB 3.2Å; V49-A52 PolarHBondContact O-N 3.07Å; V49-A52 VanDerWaalsContact O-N 3.17Å; V50-A52 PolarHBondContact O-N 2.95Å; A52-R56 WeakPolarHBondContact O-CB 3.39Å; A52-R56 WeakPolarHBondContact O-CD 3.42Å; A52-R56 VanDerWaalsContact O-CG 3.25Å; A52-R56 WeakPolarHBondContact O-CG 3.48Å; A52-R56 PolarHBondContact O-N 3.02Å; A52-R56 VanDerWaalsContact O-N 3.16Å; A52-R56 PolarHBondContact O-NH1 3.16Å; A52-F306 HydrophobicContact CB-CD2 3.75Å; A52-F306 HydrophobicContact CB-CE2 3.74Å; A52-F306 HydrophobicContact CB-CG 4.32Å; A52-F306 HydrophobicContact CB-CZ 4.27Å
53L96.8Very high96.6Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-64-48.4175-73.6170.7000111.2L22 F28 F30 V49 V50 R55 R56 G57 K58 V60 F306L22-L53 HydrophobicContact CD2-CD2 3.51Å; F28-L53 HydrophobicContact CB-CD1 4.43Å; F28-L53 HydrophobicContact CD1-CD1 4.23Å; F28-L53 HydrophobicContact CD2-CD2 4.24Å; F28-L53 HydrophobicContact CE1-CD2 4.4Å; F28-L53 HydrophobicContact CE2-CD2 4.04Å; F28-L53 HydrophobicContact CG-CD1 4.14Å; F28-L53 HydrophobicContact CZ-CD2 4.14Å; F30-L53 HydrophobicContact CE2-CD1 3.77Å; F30-L53 HydrophobicContact CZ-CD1 3.67Å; V49-L53 HydrophobicContact CG1-CD1 4.09Å; V49-L53 WeakPolarHBondContact O-CG 3.37Å; V49-L53 PolarHBondContact O-N 3.14Å; V50-L53 PolarHBondContact O-N 2.87Å; L53-R55 PolarHBondContact O-N 3.16Å; L53-R56 CarbonylContact O-C 3.56Å; L53-R56 PolarHBondContact O-N 3.18Å; L53-R56 VanDerWaalsContact O-N 3.13Å; L53-G57 PolarHBondContact O-N 3.47Å; L53-K58 HydrophobicContact CB-CB 4.29Å; L53-K58 HydrophobicContact CD2-CB 4.46Å; L53-K58 HydrophobicContact CD2-CG 4.18Å; L53-K58 WeakPolarHBondContact O-CB 3.48Å; L53-K58 PolarHBondContact O-N 2.98Å; L53-K58 VanDerWaalsContact O-N 3.09Å; L53-V60 HydrophobicContact CB-CG2 3.7Å; L53-V60 HydrophobicContact CD1-CG2 4.37Å; L53-F306 HydrophobicContact CD2-CE1 4.12Å; L53-F306 HydrophobicContact CD2-CZ 3.87Å; L53-F306 HydrophobicContact CG-CZ 3.97Å
54I95.4Very high96.6Very high36 Ų3638 Ų3819%0.18520%0.201CC..Hα-helixtrans-60.4-47.5179.2-64.5169.9000110.5V50 R56 G57 V60 D85 V86V50-I54 HydrophobicContact CG1-CD1 3.83Å; V50-I54 WeakPolarHBondContact O-CG1 3.4Å; V50-I54 PolarHBondContact O-N 2.83Å; I54-R56 PolarHBondContact O-N 2.89Å; I54-G57 PolarHBondContact O-N 3.41Å; I54-V60 HydrophobicContact CD1-CB 4.34Å; I54-V60 HydrophobicContact CG1-CB 3.89Å; I54-V60 HydrophobicContact CG1-CG2 3.65Å; I54-D85 HydrophobicContact CB-CB 4.41Å; I54-D85 HydrophobicContact CD1-CB 4.04Å; I54-D85 HydrophobicContact CG2-CB 3.9Å; I54-V86 HydrophobicContact CD1-CG2 4.33Å
55R94.4Very high96.5Very high182 Ų18231.9 Ų31.969%0.68716%0.164SC*.Hα-helixtrans-63.2-24.6177.6-73.6-177.2-62.2-174.36.7114N51 L53 G57N51-R55 WeakPolarHBondContact O-CB 3.49Å; N51-R55 VanDerWaalsContact O-CG 3.26Å; N51-R55 WeakPolarHBondContact O-CG 3.44Å; N51-R55 PolarHBondContact O-N 2.82Å; N51-R55 PolarHBondContact O-NE 3.28Å; L53-R55 PolarHBondContact O-N 3.16Å; R55-G57 PolarHBondContact O-N 3.14Å
56R93.4Very high96.4Very high79 Ų7933 Ų3330%0.29817%0.166SC..THydrogen-bonded Turntrans-84.77.4174-73.9169.9170.269.62.5113A52 L53 I54 K58 F306 E310A52-R56 WeakPolarHBondContact O-CB 3.39Å; A52-R56 WeakPolarHBondContact O-CD 3.42Å; A52-R56 VanDerWaalsContact O-CG 3.25Å; A52-R56 WeakPolarHBondContact O-CG 3.48Å; A52-R56 PolarHBondContact O-N 3.02Å; A52-R56 VanDerWaalsContact O-N 3.16Å; A52-R56 PolarHBondContact O-NH1 3.16Å; L53-R56 CarbonylContact O-C 3.56Å; L53-R56 PolarHBondContact O-N 3.18Å; L53-R56 VanDerWaalsContact O-N 3.13Å; I54-R56 PolarHBondContact O-N 2.89Å; R56-K58 VanDerWaalsContact C-N 3.31Å; R56-K58 PolarHBondContact O-N 3.41Å; R56-F306 PolarHBondContact NH2-O 2.91Å; R56-E310 IonicContact CZ-OE1 2.89Å; R56-E310 IonicContact NH1-OE1 3.48Å; R56-E310 IonicContact NH2-OE1 2.63Å; R56-E310 PolarHBondContact NH2-OE1 2.94Å
57G94Very high96.2Very high62 Ų6233.1 Ų33.164%0.63917%0.167SC*.THydrogen-bonded Turntrans75.816.2177.700000114.2L53 I54 R55L53-G57 PolarHBondContact O-N 3.47Å; I54-G57 PolarHBondContact O-N 3.41Å; R55-G57 PolarHBondContact O-N 3.14Å
58K95.5Very high95.9Very high39 Ų3934.2 Ų34.217%0.1717%0.171CC..  trans-78.2142.3172.7-59.3-58.8-173.4171.50110L22 K25 D26 F28 L53 R56 V60L22-K58 WeakPolarHBondContact O-CE 3.47Å; L22-K58 PolarHBondContact O-NZ 3.15Å; K25-K58 WeakPolarHBondContact O-CD 3.46Å; K25-K58 VanDerWaalsContact O-CE 3.31Å; K25-K58 WeakPolarHBondContact O-CE 3.31Å; K25-K58 PolarHBondContact O-NZ 3.49Å; D26-K58 IonicContact OD1-NZ 3.62Å; D26-K58 PolarHBondContact OD1-NZ 3.11Å; F28-K58 HydrophobicContact CD2-CB 4Å; F28-K58 HydrophobicContact CD2-CG 4.37Å; F28-K58 HydrophobicContact CE2-CB 4.09Å; F28-K58 HydrophobicContact CE2-CD 4.05Å; F28-K58 HydrophobicContact CE2-CG 3.94Å; L53-K58 HydrophobicContact CB-CB 4.29Å; L53-K58 HydrophobicContact CD2-CB 4.46Å; L53-K58 HydrophobicContact CD2-CG 4.18Å; L53-K58 WeakPolarHBondContact O-CB 3.48Å; L53-K58 PolarHBondContact O-N 2.98Å; L53-K58 VanDerWaalsContact O-N 3.09Å; R56-K58 VanDerWaalsContact C-N 3.31Å; R56-K58 PolarHBondContact O-N 3.41Å; K58-V60 PolarHBondContact O-N 3.24Å
59N95.8Very high95.6Very high62 Ų6232 Ų3233%0.33216%0.159SC..EExtended strand (participates in β ladder)trans-79.9108174.9-64.1-69.9000108.8D26 F27 F28D26-N59 PolarHBondContact O-N 3.23Å; F27-N59 CarbonylContact C-O 3.59Å; F27-N59 WeakPolarHBondContact CA-O 3.34Å; F27-N59 HydrophobicContact CD1-CB 3.32Å; F27-N59 HydrophobicContact CD2-CB 4.32Å; F27-N59 HydrophobicContact CE1-CB 3.33Å; F27-N59 HydrophobicContact CE2-CB 4.33Å; F27-N59 WeakPolarHBondContact CE2-ND2 3.28Å; F27-N59 HydrophobicContact CG-CB 3.85Å; F27-N59 HydrophobicContact CZ-CB 3.86Å; F27-N59 WeakPolarHBondContact CZ-ND2 3.38Å; F28-N59 PolarHBondContact N-O 3.21Å
60V97.1Very high95.3Very high1 Ų132.6 Ų32.61%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-100.5128.9177.6-178.60000109.2F28 F30 V50 L53 I54 K58 F62 Q90F28-V60 WeakPolarHBondContact O-CA 3.45Å; F30-V60 HydrophobicContact CD2-CG1 3.81Å; F30-V60 HydrophobicContact CE2-CG1 3.97Å; V50-V60 HydrophobicContact CG1-CG1 4.39Å; L53-V60 HydrophobicContact CB-CG2 3.7Å; L53-V60 HydrophobicContact CD1-CG2 4.37Å; I54-V60 HydrophobicContact CD1-CB 4.34Å; I54-V60 HydrophobicContact CG1-CB 3.89Å; I54-V60 HydrophobicContact CG1-CG2 3.65Å; K58-V60 PolarHBondContact O-N 3.24Å; V60-F62 HydrophobicContact CG1-CE1 4.09Å; V60-F62 HydrophobicContact CG1-CE2 3.97Å; V60-F62 HydrophobicContact CG1-CZ 3.59Å; V60-Q90 WeakPolarHBondContact O-CG 3.26Å; V60-Q90 PolarHBondContact O-NE2 3.38Å
61V97.5Very high95.1Very high0 Ų033.4 Ų33.40%017%0.166CC..EExtended strand (participates in β ladder)trans-129.7138.5-179.9-176.50000108.6F28 L29 F30 V63 Q90 F92 I230 F234F28-V61 PolarHBondContact O-N 2.63Å; L29-V61 CarbonylContact C-O 3.56Å; L29-V61 VanDerWaalsContact CA-O 3.3Å; L29-V61 WeakPolarHBondContact CA-O 3.24Å; L29-V61 HydrophobicContact CG-CB 4.21Å; F30-V61 PolarHBondContact N-O 2.74Å; V61-V63 HydrophobicContact CG1-CG2 4.08Å; V61-Q90 CarbonylContact C-O 3.58Å; V61-Q90 WeakPolarHBondContact CA-O 3.29Å; V61-F92 HydrophobicContact CG1-CD2 3.44Å; V61-F92 VanDerWaalsContact CG1-CD2 3.44Å; V61-F92 HydrophobicContact CG1-CE2 3.7Å; V61-F92 HydrophobicContact CG1-CG 4.5Å; V61-I230 HydrophobicContact CG1-CD1 4.03Å; V61-I230 HydrophobicContact CG1-CG1 4.09Å; V61-I230 HydrophobicContact CG1-CG2 4.18Å; V61-I230 HydrophobicContact CG2-CG2 4.37Å; V61-F234 HydrophobicContact CG2-CE2 3.7Å; V61-F234 HydrophobicContact CG2-CZ 3.77Å
62F98.1Very high94.8Very high0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-107.6126.8179-57-79.5000109.6F30 I36 V50 V60 F78 V86 Q90 I91 F92F30-F62 HydrophobicContact CB-CD1 4.17Å; F30-F62 HydrophobicContact CB-CE1 4.45Å; F30-F62 CarbonylContact O-C 3.27Å; F30-F62 WeakPolarHBondContact O-CA 3.4Å; I36-F62 HydrophobicContact CD1-CD1 3.9Å; I36-F62 HydrophobicContact CD1-CE1 4.04Å; V50-F62 HydrophobicContact CG1-CE1 4.33Å; V50-F62 HydrophobicContact CG1-CZ 3.71Å; V50-F62 HydrophobicContact CG2-CE1 4.26Å; V50-F62 HydrophobicContact CG2-CZ 4.45Å; V60-F62 HydrophobicContact CG1-CE1 4.09Å; V60-F62 HydrophobicContact CG1-CE2 3.97Å; V60-F62 HydrophobicContact CG1-CZ 3.59Å; F62-F78 HydrophobicContact CB-CE2 4.49Å; F62-F78 HydrophobicContact CB-CZ 3.85Å; F62-F78 AromaticContact CD1-CE1 3.52Å; F62-F78 HydrophobicContact CD1-CE1 3.52Å; F62-F78 AromaticContact CD1-CZ 3.45Å; F62-F78 HydrophobicContact CD1-CZ 3.45Å; F62-F78 VanDerWaalsContact CD1-CZ 3.45Å; F62-F78 HydrophobicContact CD2-CE1 4.08Å; F62-F78 HydrophobicContact CD2-CE2 4.35Å; F62-F78 AromaticContact CD2-CZ 3.76Å; F62-F78 HydrophobicContact CD2-CZ 3.76Å; F62-F78 HydrophobicContact CE1-CD1 4.48Å; F62-F78 AromaticContact CE1-CE1 3.46Å; F62-F78 HydrophobicContact CE1-CE1 3.46Å; F62-F78 VanDerWaalsContact CE1-CE1 3.46Å; F62-F78 AromaticContact CE1-CZ 3.9Å; F62-F78 HydrophobicContact CE1-CZ 3.9Å; F62-F78 HydrophobicContact CE2-CE1 4.04Å; F62-F78 HydrophobicContact CE2-CZ 4.19Å; F62-F78 AromaticContact CG-CE1 3.83Å; F62-F78 HydrophobicContact CG-CE1 3.83Å; F62-F78 HydrophobicContact CG-CE2 4.23Å; F62-F78 AromaticContact CG-CZ 3.36Å; F62-F78 HydrophobicContact CG-CZ 3.36Å; F62-F78 HydrophobicContact CZ-CD1 4.42Å; F62-F78 AromaticContact CZ-CE1 3.73Å; F62-F78 HydrophobicContact CZ-CE1 3.73Å; F62-F78 HydrophobicContact CZ-CZ 4.24Å; F62-V86 HydrophobicContact CD2-CG1 3.81Å; F62-V86 HydrophobicContact CE2-CB 4.09Å; F62-V86 HydrophobicContact CE2-CG1 3.42Å; F62-V86 VanDerWaalsContact CE2-CG1 3.42Å; F62-V86 HydrophobicContact CE2-CG2 3.51Å; F62-V86 HydrophobicContact CZ-CG1 4.29Å; F62-V86 HydrophobicContact CZ-CG2 3.6Å; F62-Q90 HydrophobicContact CD2-CB 4.2Å; F62-Q90 HydrophobicContact CE2-CB 4.41Å; F62-Q90 PolarHBondContact N-O 2.83Å; F62-I91 HydrophobicContact CD2-CG1 4.33Å; F62-F92 PolarHBondContact O-N 2.86Å
63V97.5Very high94.6Very high0 Ų041.1 Ų41.10%020%0.203CC..EExtended strand (participates in β ladder)trans-128.5102.3-168.1-170.20000108.7L29 F30 D31 V61 F92 K221 M226 I230 F255L29-V63 HydrophobicContact CB-CG2 4.01Å; L29-V63 HydrophobicContact CD2-CG2 4.17Å; L29-V63 HydrophobicContact CG-CG2 4.12Å; F30-V63 PolarHBondContact O-N 3.18Å; D31-V63 WeakPolarHBondContact CA-O 3.26Å; V61-V63 HydrophobicContact CG1-CG2 4.08Å; V63-F92 WeakPolarHBondContact CA-O 3.45Å; V63-K221 HydrophobicContact CG1-CD 3.79Å; V63-K221 HydrophobicContact CG1-CG 4.08Å; V63-K221 WeakPolarHBondContact O-CE 3.37Å; V63-K221 PolarHBondContact O-NZ 2.9Å; V63-M226 HydrophobicContact CG1-CG 3.73Å; V63-M226 HydrophobicContact CG1-SD 3.21Å; V63-M226 WeakPolarHBondContact CG1-SD 3.44Å; V63-I230 HydrophobicContact CG1-CD1 4.46Å; V63-I230 HydrophobicContact CG2-CD1 3.64Å; V63-F255 HydrophobicContact CG1-CE1 4.33Å; V63-F255 HydrophobicContact CG1-CZ 4.45Å
64T96.9Very high94.4Very high2 Ų241.2 Ų41.21%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-123.3135.6-172-174.40000112.8N66 F92 S93 S94T64-N66 PolarHBondContact O-N 3.28Å; T64-N66 VanDerWaalsContact OG1-CB 3.29Å; T64-N66 WeakPolarHBondContact OG1-CB 3.47Å; T64-N66 PolarHBondContact OG1-N 3.32Å; T64-F92 PolarHBondContact N-O 2.98Å; T64-S93 CarbonylContact O-C 3.54Å; T64-S93 VanDerWaalsContact O-CA 3.26Å; T64-S93 WeakPolarHBondContact O-CA 3.27Å; T64-S94 PolarHBondContact O-N 2.92Å
65N96.9Very high94.2Very high5 Ų541.1 Ų41.13%0.02720%0.204CC..  trans-79.7-4.7170.3-86.3-2.1000113.3S67 S94 D185 G220 K221 T251N65-S67 PolarHBondContact O-N 3.13Å; N65-S67 VanDerWaalsContact O-N 3.17Å; N65-S94 VanDerWaalsContact C-OG 3.23Å; N65-S94 PolarHBondContact O-OG 3.27Å; N65-D185 HydrophobicContact CB-CB 3.75Å; N65-D185 WeakPolarHBondContact ND2-CB 3.32Å; N65-G220 WeakPolarHBondContact OD1-CA 3.48Å; N65-K221 PolarHBondContact ND2-O 2.9Å; N65-K221 PolarHBondContact OD1-N 3.15Å; N65-T251 VanDerWaalsContact ND2-CG2 3.33Å; N65-T251 WeakPolarHBondContact ND2-CG2 3.39Å
66N94.3Very high94.1Very high41 Ų4137.4 Ų37.422%0.21920%0.198CC..  trans-71112-179.7-170.6-23.3000110.9D33 T64 T68 Y74D33-N66 PolarHBondContact OD2-ND2 3.48Å; T64-N66 PolarHBondContact O-N 3.28Å; T64-N66 VanDerWaalsContact OG1-CB 3.29Å; T64-N66 WeakPolarHBondContact OG1-CB 3.47Å; T64-N66 PolarHBondContact OG1-N 3.32Å; N66-T68 WeakPolarHBondContact OD1-CB 3.46Å; N66-T68 WeakPolarHBondContact OD1-CG2 3.42Å; N66-T68 PolarHBondContact OD1-N 2.9Å; N66-T68 VanDerWaalsContact OD1-N 3.12Å; N66-T68 PolarHBondContact OD1-OG1 3.38Å; N66-Y74 VanDerWaalsContact CB-OH 3.27Å; N66-Y74 WeakPolarHBondContact CB-OH 3.38Å; N66-Y74 PolarHBondContact ND2-OH 3.3Å; N66-Y74 PolarHBondContact O-OH 2.94Å; N66-Y74 PolarHBondContact OD1-OH 2.89Å
67S93.8Very high94.2Very high2 Ų234.2 Ų34.21%0.01419%0.186CC..  trans-98.811-178.352.30000113.7N65 L120 H158 T184N65-S67 PolarHBondContact O-N 3.13Å; N65-S67 VanDerWaalsContact O-N 3.17Å; S67-L120 PolarHBondContact O-N 2.94Å; S67-H158 PolarHBondContact OG-N 3.46Å; S67-T184 PolarHBondContact OG-OG1 2.85Å
68T92.4Very high94.3Very high39 Ų3931.3 Ų31.324%0.23916%0.156CC..SBendtrans-80.5-23.9-172.163.40000114.5N66 H158N66-T68 WeakPolarHBondContact OD1-CB 3.46Å; N66-T68 WeakPolarHBondContact OD1-CG2 3.42Å; N66-T68 PolarHBondContact OD1-N 2.9Å; N66-T68 VanDerWaalsContact OD1-N 3.12Å; N66-T68 PolarHBondContact OD1-OG1 3.38Å; T68-H158 HydrophobicContact CG2-CB 3.88Å; T68-H158 VanDerWaalsContact CG2-CD2 3.44Å; T68-H158 WeakPolarHBondContact CG2-CD2 3.12Å
69R90.3Very high94.3Very high99 Ų9933.1 Ų33.137%0.37417%0.171SC..SBendtrans-130.7150-174.1-61.8-171.1-173.5-160.811.3111.2E40 N73 Y74E40-R69 IonicContact OE1-NH2 2.66Å; E40-R69 PolarHBondContact OE1-NH2 3.38Å; R69-N73 HydrophobicContact CB-CB 4.14Å; R69-Y74 HydrophobicContact CB-CD2 4.5Å; R69-Y74 HydrophobicContact CB-CE2 3.94Å; R69-Y74 WeakPolarHBondContact O-CE2 3.44Å
70P91.5Very high94.3Very high12 Ų1236.9 Ų36.98%0.07818%0.18CC..  trans-72158.1168.933-34.1000110.7E72 N73 Y74 L122 E123P70-E72 VanDerWaalsContact C-N 3.29Å; P70-E72 PolarHBondContact O-N 2.91Å; P70-N73 HydrophobicContact CG-CB 4.28Å; P70-N73 WeakPolarHBondContact O-CB 3.47Å; P70-N73 PolarHBondContact O-N 3.24Å; P70-Y74 WeakPolarHBondContact O-CD2 3.43Å; P70-L122 HydrophobicContact CB-CB 4.34Å; P70-L122 HydrophobicContact CG-CD1 4.1Å; P70-E123 WeakPolarHBondContact CA-OE1 3.42Å; P70-E123 HydrophobicContact CB-CG 4.45Å
71R92.9Very high94.3Very high17 Ų1738 Ų386%0.06419%0.186CC..Hα-helixtrans-58.6-34.8-177.2-71.7179-64.2144.58.7113.7N73 Y74 V75 L88 I91 Y96 E123R71-N73 PolarHBondContact O-N 2.94Å; R71-Y74 WeakPolarHBondContact O-CA 3.45Å; R71-Y74 WeakPolarHBondContact O-CB 3.44Å; R71-Y74 PolarHBondContact O-N 3.47Å; R71-V75 PolarHBondContact O-N 3.29Å; R71-V75 VanDerWaalsContact O-N 3.16Å; R71-L88 VanDerWaalsContact C-CD1 3.49Å; R71-L88 HydrophobicContact CB-CD1 3.54Å; R71-I91 HydrophobicContact CB-CG2 4.49Å; R71-I91 WeakPolarHBondContact CD-O 3.31Å; R71-I91 HydrophobicContact CG-CG2 4.1Å; R71-Y96 VanDerWaalsContact CD-CB 3.49Å; R71-Y96 VanDerWaalsContact CD-CG 3.47Å; R71-Y96 VanDerWaalsContact CZ-CZ 3.4Å; R71-E123 WeakPolarHBondContact CB-OE1 3.28Å; R71-E123 VanDerWaalsContact CG-OE1 3.26Å; R71-E123 WeakPolarHBondContact CG-OE1 3.01Å; R71-E123 IonicContact CZ-OE2 3.69Å; R71-E123 PolarHBondContact N-OE1 3.17Å; R71-E123 IonicContact NE-OE1 3.75Å; R71-E123 PolarHBondContact NE-OE1 2.95Å; R71-E123 IonicContact NE-OE2 2.67Å; R71-E123 PolarHBondContact NE-OE2 3.49Å; R71-E123 IonicContact NH2-OE2 3.87Å
72E90.3Very high94.3Very high115 Ų11539.4 Ų39.454%0.53720%0.201SC..Hα-helixtrans-57.9-36.5174.9-63.4-170.7160.200112.4P70 Y74 V75 N76 L88P70-E72 VanDerWaalsContact C-N 3.29Å; P70-E72 PolarHBondContact O-N 2.91Å; E72-Y74 VanDerWaalsContact C-N 3.29Å; E72-Y74 PolarHBondContact O-N 3.12Å; E72-V75 PolarHBondContact O-N 3.22Å; E72-N76 PolarHBondContact O-N 3.48Å; E72-N76 PolarHBondContact O-ND2 3.36Å; E72-L88 HydrophobicContact CG-CD1 4.39Å
73N91.9Very high94.2Very high71 Ų7139.4 Ų39.438%0.3820%0.201SC..Hα-helixtrans-70.5-29177.2-71.92.6000111.9R69 P70 R71 K77R69-N73 HydrophobicContact CB-CB 4.14Å; P70-N73 HydrophobicContact CG-CB 4.28Å; P70-N73 WeakPolarHBondContact O-CB 3.47Å; P70-N73 PolarHBondContact O-N 3.24Å; R71-N73 PolarHBondContact O-N 2.94Å; N73-K77 PolarHBondContact O-N 2.67Å; N73-K77 VanDerWaalsContact O-N 3.14Å
74Y92.2Very high93.9Very high2 Ų243.6 Ų43.61%0.00823%0.226CC..Hα-helixtrans-68.6-42.4173.5-73.9-77000111.3W37 N66 R69 P70 R71 E72 N76 K77 F78 I91W37-Y74 HydrophobicContact CH2-CD1 4.21Å; W37-Y74 HydrophobicContact CZ2-CD1 4.16Å; W37-Y74 HydrophobicContact CZ2-CE1 4.28Å; N66-Y74 VanDerWaalsContact CB-OH 3.27Å; N66-Y74 WeakPolarHBondContact CB-OH 3.38Å; N66-Y74 PolarHBondContact ND2-OH 3.3Å; N66-Y74 PolarHBondContact O-OH 2.94Å; N66-Y74 PolarHBondContact OD1-OH 2.89Å; R69-Y74 HydrophobicContact CB-CD2 4.5Å; R69-Y74 HydrophobicContact CB-CE2 3.94Å; R69-Y74 WeakPolarHBondContact O-CE2 3.44Å; P70-Y74 WeakPolarHBondContact O-CD2 3.43Å; R71-Y74 WeakPolarHBondContact O-CA 3.45Å; R71-Y74 WeakPolarHBondContact O-CB 3.44Å; R71-Y74 PolarHBondContact O-N 3.47Å; E72-Y74 VanDerWaalsContact C-N 3.29Å; E72-Y74 PolarHBondContact O-N 3.12Å; Y74-N76 VanDerWaalsContact C-N 3.3Å; Y74-N76 PolarHBondContact O-N 3.05Å; Y74-K77 CarbonylContact O-C 3.57Å; Y74-K77 WeakPolarHBondContact O-CA 3.36Å; Y74-K77 WeakPolarHBondContact O-CB 3.36Å; Y74-K77 PolarHBondContact O-N 2.77Å; Y74-F78 WeakPolarHBondContact O-CD2 3.35Å; Y74-F78 PolarHBondContact O-N 3.34Å; Y74-I91 HydrophobicContact CG-CG2 4.49Å
75V92.3Very high93.4Very high34 Ų3446.4 Ų46.421%0.20624%0.241CC..Hα-helixtrans-53.7-49.1175.7178.60000110.8R71 E72 K77 F78 T79 L88 I91R71-V75 PolarHBondContact O-N 3.29Å; R71-V75 VanDerWaalsContact O-N 3.16Å; E72-V75 PolarHBondContact O-N 3.22Å; V75-K77 VanDerWaalsContact C-N 3.27Å; V75-K77 PolarHBondContact O-N 3.13Å; V75-F78 WeakPolarHBondContact O-CB 3.22Å; V75-F78 PolarHBondContact O-N 3.16Å; V75-T79 PolarHBondContact O-N 3.02Å; V75-T79 PolarHBondContact O-OG1 3.17Å; V75-L88 HydrophobicContact CG2-CB 4.09Å; V75-L88 HydrophobicContact CG2-CD1 3.66Å; V75-I91 HydrophobicContact CG2-CD1 3.62Å
76N92.5Very high93.3Very high104 Ų10446.5 Ų46.556%0.55624%0.242SC*.Hα-helixtrans-60.3-35.9176.5-71.3-41.8000113.1E72 Y74 R80E72-N76 PolarHBondContact O-N 3.48Å; E72-N76 PolarHBondContact O-ND2 3.36Å; Y74-N76 VanDerWaalsContact C-N 3.3Å; Y74-N76 PolarHBondContact O-N 3.05Å; N76-R80 WeakPolarHBondContact O-CB 3.46Å; N76-R80 PolarHBondContact O-N 3.03Å; N76-R80 VanDerWaalsContact O-N 3.11Å
77K95.3Very high93.2Very high11 Ų1150.3 Ų50.35%0.04826%0.26CS..Hα-helixtrans-68.3-48.2175.1-177.1179.6-178.1-175.10111.1W37 G39 N73 Y74 V75 T79 R80 L81W37-K77 HydrophobicContact CH2-CD 4.22Å; W37-K77 HydrophobicContact CZ2-CD 4.07Å; G39-K77 WeakPolarHBondContact O-CE 3.48Å; G39-K77 PolarHBondContact O-NZ 3.2Å; N73-K77 PolarHBondContact O-N 2.67Å; N73-K77 VanDerWaalsContact O-N 3.14Å; Y74-K77 CarbonylContact O-C 3.57Å; Y74-K77 WeakPolarHBondContact O-CA 3.36Å; Y74-K77 WeakPolarHBondContact O-CB 3.36Å; Y74-K77 PolarHBondContact O-N 2.77Å; V75-K77 VanDerWaalsContact C-N 3.27Å; V75-K77 PolarHBondContact O-N 3.13Å; K77-T79 VanDerWaalsContact C-N 3.33Å; K77-T79 PolarHBondContact O-N 3.31Å; K77-R80 PolarHBondContact O-N 2.9Å; K77-L81 HydrophobicContact CD-CD1 4.42Å; K77-L81 HydrophobicContact CG-CD1 3.82Å; K77-L81 HydrophobicContact CG-CG 4.28Å; K77-L81 WeakPolarHBondContact O-CB 3.28Å; K77-L81 VanDerWaalsContact O-CG 3.27Å; K77-L81 WeakPolarHBondContact O-CG 3.28Å; K77-L81 PolarHBondContact O-N 2.81Å
78F96.1Very high93.2Very high1 Ų152.9 Ų52.90%0.00427%0.273CS..Hα-helixtrans-51.9-52.7175.8-84-74.7000110.6I36 W37 F62 Y74 V75 R80 L81 G82 F83 V86 I91I36-F78 HydrophobicContact CD1-CD1 4.41Å; I36-F78 HydrophobicContact CD1-CE1 3.39Å; I36-F78 HydrophobicContact CD1-CZ 3.81Å; W37-F78 HydrophobicContact CH2-CD1 4.36Å; W37-F78 HydrophobicContact CH2-CD2 4.28Å; W37-F78 AromaticContact CH2-CE1 3.89Å; W37-F78 HydrophobicContact CH2-CE1 3.89Å; W37-F78 AromaticContact CH2-CE2 3.75Å; W37-F78 HydrophobicContact CH2-CE2 3.75Å; W37-F78 AromaticContact CH2-CZ 3.52Å; W37-F78 HydrophobicContact CH2-CZ 3.52Å; W37-F78 AromaticContact CZ3-CD1 3.72Å; W37-F78 HydrophobicContact CZ3-CD1 3.72Å; W37-F78 HydrophobicContact CZ3-CD2 4.35Å; W37-F78 AromaticContact CZ3-CE1 3.47Å; W37-F78 HydrophobicContact CZ3-CE1 3.47Å; W37-F78 VanDerWaalsContact CZ3-CE1 3.47Å; W37-F78 HydrophobicContact CZ3-CE2 4.09Å; W37-F78 HydrophobicContact CZ3-CG 4.15Å; W37-F78 AromaticContact CZ3-CZ 3.64Å; W37-F78 HydrophobicContact CZ3-CZ 3.64Å; F62-F78 HydrophobicContact CB-CE2 4.49Å; F62-F78 HydrophobicContact CB-CZ 3.85Å; F62-F78 AromaticContact CD1-CE1 3.52Å; F62-F78 HydrophobicContact CD1-CE1 3.52Å; F62-F78 AromaticContact CD1-CZ 3.45Å; F62-F78 HydrophobicContact CD1-CZ 3.45Å; F62-F78 VanDerWaalsContact CD1-CZ 3.45Å; F62-F78 HydrophobicContact CD2-CE1 4.08Å; F62-F78 HydrophobicContact CD2-CE2 4.35Å; F62-F78 AromaticContact CD2-CZ 3.76Å; F62-F78 HydrophobicContact CD2-CZ 3.76Å; F62-F78 HydrophobicContact CE1-CD1 4.48Å; F62-F78 AromaticContact CE1-CE1 3.46Å; F62-F78 HydrophobicContact CE1-CE1 3.46Å; F62-F78 VanDerWaalsContact CE1-CE1 3.46Å; F62-F78 AromaticContact CE1-CZ 3.9Å; F62-F78 HydrophobicContact CE1-CZ 3.9Å; F62-F78 HydrophobicContact CE2-CE1 4.04Å; F62-F78 HydrophobicContact CE2-CZ 4.19Å; F62-F78 AromaticContact CG-CE1 3.83Å; F62-F78 HydrophobicContact CG-CE1 3.83Å; F62-F78 HydrophobicContact CG-CE2 4.23Å; F62-F78 AromaticContact CG-CZ 3.36Å; F62-F78 HydrophobicContact CG-CZ 3.36Å; F62-F78 HydrophobicContact CZ-CD1 4.42Å; F62-F78 AromaticContact CZ-CE1 3.73Å; F62-F78 HydrophobicContact CZ-CE1 3.73Å; F62-F78 HydrophobicContact CZ-CZ 4.24Å; Y74-F78 WeakPolarHBondContact O-CD2 3.35Å; Y74-F78 PolarHBondContact O-N 3.34Å; V75-F78 WeakPolarHBondContact O-CB 3.22Å; V75-F78 PolarHBondContact O-N 3.16Å; F78-R80 PolarHBondContact O-N 3.41Å; F78-L81 CarbonylContact O-C 3.59Å; F78-L81 PolarHBondContact O-N 2.94Å; F78-L81 VanDerWaalsContact O-N 3.13Å; F78-G82 PolarHBondContact O-N 3.2Å; F78-F83 CarbonylContact C-O 3.59Å; F78-F83 HydrophobicContact CB-CB 3.94Å; F78-F83 HydrophobicContact CD1-CB 3.66Å; F78-F83 HydrophobicContact CD1-CD1 4.23Å; F78-F83 HydrophobicContact CD1-CD2 4.01Å; F78-F83 AromaticContact CD1-CG 3.73Å; F78-F83 HydrophobicContact CD1-CG 3.73Å; F78-F83 HydrophobicContact CE1-CG 4.49Å; F78-F83 HydrophobicContact CG-CB 4.3Å; F78-F83 WeakPolarHBondContact O-CB 3.46Å; F78-F83 WeakPolarHBondContact O-CD2 3.39Å; F78-F83 PolarHBondContact O-N 3.22Å; F78-V86 HydrophobicContact CB-CB 4.17Å; F78-V86 HydrophobicContact CB-CG1 4.34Å; F78-V86 HydrophobicContact CB-CG2 4.48Å; F78-V86 HydrophobicContact CD1-CB 4.3Å; F78-V86 HydrophobicContact CD1-CG1 4.16Å; F78-V86 HydrophobicContact CD1-CG2 3.92Å; F78-V86 HydrophobicContact CD2-CG1 3.91Å; F78-V86 HydrophobicContact CE1-CG1 4.44Å; F78-V86 HydrophobicContact CE1-CG2 4.42Å; F78-V86 HydrophobicContact CE2-CG1 4.26Å; F78-V86 HydrophobicContact CG-CB 4.15Å; F78-V86 HydrophobicContact CG-CG1 3.89Å; F78-V86 HydrophobicContact CG-CG2 4.28Å; F78-I91 HydrophobicContact CD2-CD1 3.77Å; F78-I91 HydrophobicContact CD2-CG1 4.46Å; F78-I91 HydrophobicContact CE2-CD1 3.7Å; F78-I91 HydrophobicContact CE2-CG1 3.98Å
79T94.6Very high93.3Very high78 Ų7855.5 Ų55.548%0.47929%0.286SS..Hα-helixtrans-59.6-47.4178.9-51.70000112.3V75 K77 L81 G82 F83V75-T79 PolarHBondContact O-N 3.02Å; V75-T79 PolarHBondContact O-OG1 3.17Å; K77-T79 VanDerWaalsContact C-N 3.33Å; K77-T79 PolarHBondContact O-N 3.31Å; T79-L81 PolarHBondContact O-N 2.86Å; T79-G82 PolarHBondContact O-N 2.88Å; T79-G82 VanDerWaalsContact O-N 3.07Å; T79-F83 PolarHBondContact N-O 3.27Å
80R96.6Very high93.5Very high141 Ų14152 Ų5253%0.53227%0.274SS..Hα-helixtrans-58.6-34.4178.2178.7174.863.3-106.83.2112.4E40 N76 K77 F78 G82E40-R80 IonicContact OE1-NH2 2.84Å; E40-R80 IonicContact OE2-CZ 2.69Å; E40-R80 IonicContact OE2-NE 3.83Å; E40-R80 IonicContact OE2-NH2 2.59Å; E40-R80 PolarHBondContact OE2-NH2 3.2Å; N76-R80 WeakPolarHBondContact O-CB 3.46Å; N76-R80 PolarHBondContact O-N 3.03Å; N76-R80 VanDerWaalsContact O-N 3.11Å; K77-R80 PolarHBondContact O-N 2.9Å; F78-R80 PolarHBondContact O-N 3.41Å; R80-G82 VanDerWaalsContact C-N 3.31Å
81L97.1Very high93.8Very high23 Ų2351.4 Ų51.412%0.1227%0.27CS..THydrogen-bonded Turntrans-88.14.4-178.5-64.2-174.6000113.6W37 E40 A42 K77 F78 T79 F83W37-L81 HydrophobicContact CB-CD1 4.03Å; W37-L81 HydrophobicContact CD2-CD1 4.07Å; W37-L81 HydrophobicContact CE3-CD1 3.7Å; W37-L81 HydrophobicContact CG-CD1 4.24Å; W37-L81 HydrophobicContact CZ3-CD1 4.46Å; E40-L81 WeakPolarHBondContact O-CD2 3.33Å; A42-L81 HydrophobicContact CB-CB 4.22Å; K77-L81 HydrophobicContact CD-CD1 4.42Å; K77-L81 HydrophobicContact CG-CD1 3.82Å; K77-L81 HydrophobicContact CG-CG 4.28Å; K77-L81 WeakPolarHBondContact O-CB 3.28Å; K77-L81 VanDerWaalsContact O-CG 3.27Å; K77-L81 WeakPolarHBondContact O-CG 3.28Å; K77-L81 PolarHBondContact O-N 2.81Å; F78-L81 CarbonylContact O-C 3.59Å; F78-L81 PolarHBondContact O-N 2.94Å; F78-L81 VanDerWaalsContact O-N 3.13Å; T79-L81 PolarHBondContact O-N 2.86Å; L81-F83 HydrophobicContact CB-CD2 3.73Å; L81-F83 HydrophobicContact CB-CE2 3.71Å
82G96.4Very high94Very high31 Ų3150.7 Ų50.732%0.3227%0.267SS..THydrogen-bonded Turntrans91.76.4174.700000115.1N51 F78 T79 R80 T84N51-G82 PolarHBondContact ND2-O 2.84Å; F78-G82 PolarHBondContact O-N 3.2Å; T79-G82 PolarHBondContact O-N 2.88Å; T79-G82 VanDerWaalsContact O-N 3.07Å; R80-G82 VanDerWaalsContact C-N 3.31Å; G82-T84 PolarHBondContact O-N 3.13Å
83F96.3Very high94.3Very high0 Ų045.2 Ų45.20%024%0.242CC..  trans-8691171.2-53.9-97.2000107.9I36 W37 A42 A46 A47 V50 F78 T79 L81 V86I36-F83 HydrophobicContact CB-CE1 3.98Å; I36-F83 HydrophobicContact CB-CZ 3.77Å; I36-F83 HydrophobicContact CG2-CE1 4.2Å; I36-F83 HydrophobicContact CG2-CZ 4.46Å; W37-F83 HydrophobicContact CE3-CE2 4.26Å; A42-F83 HydrophobicContact CB-CE2 4.18Å; A46-F83 HydrophobicContact CB-CE1 4.21Å; A46-F83 HydrophobicContact CB-CZ 3.96Å; A47-F83 VanDerWaalsContact CA-CE1 3.41Å; A47-F83 HydrophobicContact CB-CD1 4.08Å; A47-F83 HydrophobicContact CB-CD2 4.24Å; A47-F83 HydrophobicContact CB-CE1 4.03Å; A47-F83 HydrophobicContact CB-CE2 4.19Å; A47-F83 HydrophobicContact CB-CG 4.17Å; A47-F83 HydrophobicContact CB-CZ 4.07Å; V50-F83 HydrophobicContact CB-CD1 3.76Å; V50-F83 HydrophobicContact CB-CE1 4.09Å; V50-F83 HydrophobicContact CG1-CD1 3.88Å; V50-F83 HydrophobicContact CG2-CD1 3.9Å; V50-F83 HydrophobicContact CG2-CE1 3.79Å; F78-F83 CarbonylContact C-O 3.59Å; F78-F83 HydrophobicContact CB-CB 3.94Å; F78-F83 HydrophobicContact CD1-CB 3.66Å; F78-F83 HydrophobicContact CD1-CD1 4.23Å; F78-F83 HydrophobicContact CD1-CD2 4.01Å; F78-F83 AromaticContact CD1-CG 3.73Å; F78-F83 HydrophobicContact CD1-CG 3.73Å; F78-F83 HydrophobicContact CE1-CG 4.49Å; F78-F83 HydrophobicContact CG-CB 4.3Å; F78-F83 WeakPolarHBondContact O-CB 3.46Å; F78-F83 WeakPolarHBondContact O-CD2 3.39Å; F78-F83 PolarHBondContact O-N 3.22Å; T79-F83 PolarHBondContact N-O 3.27Å; L81-F83 HydrophobicContact CB-CD2 3.73Å; L81-F83 HydrophobicContact CB-CE2 3.71Å; F83-V86 HydrophobicContact CB-CG2 3.9Å
84T91.3Very high94.6Very high87 Ų8741.9 Ų41.953%0.53422%0.224SC..  trans-88.1-21.8-165.850.40000113.8N51 G82N51-T84 PolarHBondContact ND2-OG1 2.95Å; N51-T84 PolarHBondContact OD1-N 2.98Å; G82-T84 PolarHBondContact O-N 3.13Å
85D87.3Confident94.8Very high61 Ų6141.8 Ų41.833%0.32622%0.223SC..SBendtrans-106.318.8-170.5-51.5-42.2000112.3I54 Q90I54-D85 HydrophobicContact CB-CB 4.41Å; I54-D85 HydrophobicContact CD1-CB 4.04Å; I54-D85 HydrophobicContact CG2-CB 3.9Å; D85-Q90 PolarHBondContact O-OE1 3.47Å
86V93.2Very high95.1Very high7 Ų741.5 Ų41.54%0.04222%0.219CC..  trans-92.7123.1-177.7177.90000111V50 I54 F62 F78 F83 I91V50-V86 HydrophobicContact CG1-CG2 4.19Å; I54-V86 HydrophobicContact CD1-CG2 4.33Å; F62-V86 HydrophobicContact CD2-CG1 3.81Å; F62-V86 HydrophobicContact CE2-CB 4.09Å; F62-V86 HydrophobicContact CE2-CG1 3.42Å; F62-V86 VanDerWaalsContact CE2-CG1 3.42Å; F62-V86 HydrophobicContact CE2-CG2 3.51Å; F62-V86 HydrophobicContact CZ-CG1 4.29Å; F62-V86 HydrophobicContact CZ-CG2 3.6Å; F78-V86 HydrophobicContact CB-CB 4.17Å; F78-V86 HydrophobicContact CB-CG1 4.34Å; F78-V86 HydrophobicContact CB-CG2 4.48Å; F78-V86 HydrophobicContact CD1-CB 4.3Å; F78-V86 HydrophobicContact CD1-CG1 4.16Å; F78-V86 HydrophobicContact CD1-CG2 3.92Å; F78-V86 HydrophobicContact CD2-CG1 3.91Å; F78-V86 HydrophobicContact CE1-CG1 4.44Å; F78-V86 HydrophobicContact CE1-CG2 4.42Å; F78-V86 HydrophobicContact CE2-CG1 4.26Å; F78-V86 HydrophobicContact CG-CB 4.15Å; F78-V86 HydrophobicContact CG-CG1 3.89Å; F78-V86 HydrophobicContact CG-CG2 4.28Å; F83-V86 HydrophobicContact CB-CG2 3.9Å; V86-I91 HydrophobicContact CG1-CD1 4.2Å; V86-I91 HydrophobicContact CG1-CG1 4.22Å
87M92.6Very high95.3Very high121 Ų12136.5 Ų36.560%0.59619%0.192SC*.  trans-102.1159.4178.4-60.6-63.1-79.600111.4D89 Q90M87-D89 VanDerWaalsContact C-N 3.3Å; M87-D89 WeakPolarHBondContact CB-OD1 3.43Å; M87-D89 PolarHBondContact O-N 3.39Å; M87-Q90 HydrophobicContact CB-CG 4.47Å; M87-Q90 WeakPolarHBondContact O-CB 3.44Å; M87-Q90 PolarHBondContact O-N 3.05Å; M87-Q90 VanDerWaalsContact O-N 3.15Å
88L94.2Very high95.5Very high56 Ų5636 Ų3629%0.29319%0.19SC..G310 helixtrans-62.1-35.8-175.8-173.469000113.1R71 E72 V75 Q90 I91R71-L88 VanDerWaalsContact C-CD1 3.49Å; R71-L88 HydrophobicContact CB-CD1 3.54Å; E72-L88 HydrophobicContact CG-CD1 4.39Å; V75-L88 HydrophobicContact CG2-CB 4.09Å; V75-L88 HydrophobicContact CG2-CD1 3.66Å; L88-Q90 PolarHBondContact O-N 3.34Å; L88-I91 PolarHBondContact O-N 3.48Å; L88-I91 VanDerWaalsContact O-N 3.12Å
89D94.1Very high95.6Very high95 Ų9536 Ų3651%0.50819%0.19SC..G310 helixtrans-69.6-11.7178.960-11.7000113.6M87 F92M87-D89 VanDerWaalsContact C-N 3.3Å; M87-D89 WeakPolarHBondContact CB-OD1 3.43Å; M87-D89 PolarHBondContact O-N 3.39Å; D89-F92 VanDerWaalsContact O-CE2 3.24Å; D89-F92 WeakPolarHBondContact O-CE2 3.49Å
90Q95.3Very high95.7Very high24 Ų2432.5 Ų32.511%0.11217%0.168CC..G310 helixtrans-87.6-5.4172.6-59.4176.3-85.200112.6V60 V61 F62 D85 M87 L88V60-Q90 WeakPolarHBondContact O-CG 3.26Å; V60-Q90 PolarHBondContact O-NE2 3.38Å; V61-Q90 CarbonylContact C-O 3.58Å; V61-Q90 WeakPolarHBondContact CA-O 3.29Å; F62-Q90 HydrophobicContact CD2-CB 4.2Å; F62-Q90 HydrophobicContact CE2-CB 4.41Å; F62-Q90 PolarHBondContact N-O 2.83Å; D85-Q90 PolarHBondContact O-OE1 3.47Å; M87-Q90 HydrophobicContact CB-CG 4.47Å; M87-Q90 WeakPolarHBondContact O-CB 3.44Å; M87-Q90 PolarHBondContact O-N 3.05Å; M87-Q90 VanDerWaalsContact O-N 3.15Å; L88-Q90 PolarHBondContact O-N 3.34Å
91I96.8Very high95.8Very high1 Ų127.9 Ų27.91%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-108.4118.4-172.6-54172.1000110.6F62 R71 Y74 V75 F78 V86 L88F62-I91 HydrophobicContact CD2-CG1 4.33Å; R71-I91 HydrophobicContact CB-CG2 4.49Å; R71-I91 WeakPolarHBondContact CD-O 3.31Å; R71-I91 HydrophobicContact CG-CG2 4.1Å; Y74-I91 HydrophobicContact CG-CG2 4.49Å; V75-I91 HydrophobicContact CG2-CD1 3.62Å; F78-I91 HydrophobicContact CD2-CD1 3.77Å; F78-I91 HydrophobicContact CD2-CG1 4.46Å; F78-I91 HydrophobicContact CE2-CD1 3.7Å; F78-I91 HydrophobicContact CE2-CG1 3.98Å; V86-I91 HydrophobicContact CG1-CD1 4.2Å; V86-I91 HydrophobicContact CG1-CG1 4.22Å; L88-I91 PolarHBondContact O-N 3.48Å; L88-I91 VanDerWaalsContact O-N 3.12Å
92F97.4Very high95.8Very high2 Ų226.8 Ų26.81%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-12197.4178.2-66.3-99.5000109.4V61 F62 V63 T64 D89 Y96 C229 I230 Q233 F234V61-F92 HydrophobicContact CG1-CD2 3.44Å; V61-F92 VanDerWaalsContact CG1-CD2 3.44Å; V61-F92 HydrophobicContact CG1-CE2 3.7Å; V61-F92 HydrophobicContact CG1-CG 4.5Å; F62-F92 PolarHBondContact O-N 2.86Å; V63-F92 WeakPolarHBondContact CA-O 3.45Å; T64-F92 PolarHBondContact N-O 2.98Å; D89-F92 VanDerWaalsContact O-CE2 3.24Å; D89-F92 WeakPolarHBondContact O-CE2 3.49Å; F92-Y96 HydrophobicContact CD1-CD1 4.21Å; F92-Y96 HydrophobicContact CD1-CE1 4.14Å; F92-Y96 HydrophobicContact CE1-CE1 4.19Å; F92-C229 HydrophobicContact CD1-CB 4.1Å; F92-C229 HydrophobicContact CE1-CB 4.24Å; F92-I230 HydrophobicContact CB-CG1 4.26Å; F92-I230 HydrophobicContact CD1-CG1 3.73Å; F92-I230 HydrophobicContact CD2-CG1 3.77Å; F92-I230 HydrophobicContact CE1-CB 4.41Å; F92-I230 HydrophobicContact CE1-CG1 3.94Å; F92-I230 HydrophobicContact CE2-CG1 3.98Å; F92-I230 HydrophobicContact CG-CD1 4.43Å; F92-I230 HydrophobicContact CG-CG1 3.64Å; F92-I230 HydrophobicContact CZ-CB 4.38Å; F92-I230 HydrophobicContact CZ-CG1 4.06Å; F92-Q233 HydrophobicContact CE1-CG 4.06Å; F92-Q233 HydrophobicContact CZ-CB 4.17Å; F92-Q233 HydrophobicContact CZ-CG 3.81Å; F92-F234 HydrophobicContact CE2-CE2 4.17Å; F92-F234 HydrophobicContact CZ-CE2 4.31Å
93S97.2Very high95.9Very high0 Ų030.1 Ų30.10%015%0.149CC..EExtended strand (participates in β ladder)trans-89156.1170.662.10000111.3T64 S95 Y96 C97T64-S93 CarbonylContact O-C 3.54Å; T64-S93 VanDerWaalsContact O-CA 3.26Å; T64-S93 WeakPolarHBondContact O-CA 3.27Å; S93-S95 WeakPolarHBondContact CB-OG 3.5Å; S93-S95 PolarHBondContact O-N 3.31Å; S93-S95 PolarHBondContact OG-OG 2.8Å; S93-Y96 PolarHBondContact O-N 3.42Å; S93-Y96 VanDerWaalsContact O-N 3.16Å; S93-Y96 WeakPolarHBondContact OG-CB 3.47Å; S93-Y96 PolarHBondContact OG-N 3.05Å; S93-Y96 VanDerWaalsContact OG-N 3.15Å; S93-C97 PolarHBondContact O-N 2.89Å
94S97.4Very high95.9Very high0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-57.6-32171.258.60000112.5T64 N65 S98 T184 M226T64-S94 PolarHBondContact O-N 2.92Å; N65-S94 VanDerWaalsContact C-OG 3.23Å; N65-S94 PolarHBondContact O-OG 3.27Å; S94-S98 VanDerWaalsContact O-CB 3.3Å; S94-S98 WeakPolarHBondContact O-CB 3.32Å; S94-S98 PolarHBondContact O-N 2.77Å; S94-S98 PolarHBondContact O-OG 3.07Å; S94-T184 VanDerWaalsContact CB-O 3.27Å; S94-T184 WeakPolarHBondContact CB-O 3.41Å; S94-M226 VanDerWaalsContact CA-CE 3.48Å
95S97.1Very high96.2Very high0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-64-50.1173.250.70000112.1S93 S98 A99S93-S95 WeakPolarHBondContact CB-OG 3.5Å; S93-S95 PolarHBondContact O-N 3.31Å; S93-S95 PolarHBondContact OG-OG 2.8Å; S95-S98 WeakPolarHBondContact O-CB 3.33Å; S95-S98 PolarHBondContact O-N 2.93Å; S95-A99 PolarHBondContact O-N 2.72Å
96Y97.5Very high96.7Very high28 Ų2833.1 Ų33.111%0.1117%0.166CC..Hα-helixtrans-63.3-47.6178.2175.1-128.2000111.8R71 F92 S93 S98 A99 L100 E123R71-Y96 VanDerWaalsContact CD-CB 3.49Å; R71-Y96 VanDerWaalsContact CD-CG 3.47Å; R71-Y96 VanDerWaalsContact CZ-CZ 3.4Å; F92-Y96 HydrophobicContact CD1-CD1 4.21Å; F92-Y96 HydrophobicContact CD1-CE1 4.14Å; F92-Y96 HydrophobicContact CE1-CE1 4.19Å; S93-Y96 PolarHBondContact O-N 3.42Å; S93-Y96 VanDerWaalsContact O-N 3.16Å; S93-Y96 WeakPolarHBondContact OG-CB 3.47Å; S93-Y96 PolarHBondContact OG-N 3.05Å; S93-Y96 VanDerWaalsContact OG-N 3.15Å; Y96-S98 PolarHBondContact O-N 3.1Å; Y96-A99 WeakPolarHBondContact O-CB 3.2Å; Y96-A99 PolarHBondContact O-N 3.12Å; Y96-A99 VanDerWaalsContact O-N 3.08Å; Y96-L100 HydrophobicContact CD1-CD1 4.12Å; Y96-L100 HydrophobicContact CD2-CD2 4.46Å; Y96-L100 HydrophobicContact CD2-CG 4.17Å; Y96-L100 HydrophobicContact CE1-CD1 3.59Å; Y96-L100 HydrophobicContact CE1-CG 4.2Å; Y96-L100 HydrophobicContact CE2-CD1 4.09Å; Y96-L100 HydrophobicContact CE2-CD2 3.69Å; Y96-L100 HydrophobicContact CE2-CG 3.79Å; Y96-L100 WeakPolarHBondContact O-CG 3.4Å; Y96-L100 PolarHBondContact O-N 3.34Å; Y96-E123 WeakPolarHBondContact CB-OE2 2.99Å; Y96-E123 VanDerWaalsContact CD2-OE2 3.29Å; Y96-E123 WeakPolarHBondContact CD2-OE2 3.45Å
97C97.9Very high96.9Very high0 Ų039.8 Ų39.80%019%0.194CC..Hα-helixtrans-59.9-37176.3-70.10000111.4S93 A99 L100 Y101 I219 F225 M226S93-C97 PolarHBondContact O-N 2.89Å; C97-A99 VanDerWaalsContact C-N 3.33Å; C97-A99 PolarHBondContact O-N 2.94Å; C97-L100 PolarHBondContact O-N 3.34Å; C97-Y101 WeakPolarHBondContact O-CB 3.12Å; C97-Y101 PolarHBondContact O-N 3.05Å; C97-I219 HydrophobicContact CB-CG2 3.91Å; C97-F225 HydrophobicContact CB-CE1 4.36Å; C97-F225 WeakPolarHBondContact O-CE1 3.12Å; C97-M226 HydrophobicContact CB-CE 4.16Å
98S98.3Very high97.1Very high0 Ų035.3 Ų35.30%017%0.174CC..Hα-helixtrans-63.9-39.4175.4-60.30000112.1S94 S95 Y96 Y101 L102S94-S98 VanDerWaalsContact O-CB 3.3Å; S94-S98 WeakPolarHBondContact O-CB 3.32Å; S94-S98 PolarHBondContact O-N 2.77Å; S94-S98 PolarHBondContact O-OG 3.07Å; S95-S98 WeakPolarHBondContact O-CB 3.33Å; S95-S98 PolarHBondContact O-N 2.93Å; Y96-S98 PolarHBondContact O-N 3.1Å; S98-Y101 PolarHBondContact O-N 3.34Å; S98-L102 WeakPolarHBondContact O-CB 3.24Å; S98-L102 WeakPolarHBondContact O-CG 3.42Å; S98-L102 PolarHBondContact O-N 3Å
99A98Very high97.2Very high0 Ų043.3 Ų43.30%020%0.2CC..Hα-helixtrans-64.2-44.7173.900000111.9S95 Y96 C97 Y101 L102 R103 E123 L124 A127 I129S95-A99 PolarHBondContact O-N 2.72Å; Y96-A99 WeakPolarHBondContact O-CB 3.2Å; Y96-A99 PolarHBondContact O-N 3.12Å; Y96-A99 VanDerWaalsContact O-N 3.08Å; C97-A99 VanDerWaalsContact C-N 3.33Å; C97-A99 PolarHBondContact O-N 2.94Å; A99-Y101 PolarHBondContact O-N 2.9Å; A99-L102 PolarHBondContact O-N 3.26Å; A99-R103 VanDerWaalsContact O-CB 3.27Å; A99-R103 WeakPolarHBondContact O-CB 3.48Å; A99-R103 PolarHBondContact O-N 3.09Å; A99-E123 HydrophobicContact CB-CB 4.42Å; A99-L124 HydrophobicContact CB-CD2 3.96Å; A99-A127 HydrophobicContact CB-CB 3.76Å; A99-I129 HydrophobicContact CB-CD1 4.34Å; A99-I129 VanDerWaalsContact O-CD1 3.28Å; A99-I129 WeakPolarHBondContact O-CD1 3.2Å
100L97.5Very high97.3Very high5 Ų539.5 Ų39.53%0.02618%0.183CC..Hα-helixtrans-60.6-43.2174-65-174.6000112.4Y96 C97 L102 R103 D104 C229Y96-L100 HydrophobicContact CD1-CD1 4.12Å; Y96-L100 HydrophobicContact CD2-CD2 4.46Å; Y96-L100 HydrophobicContact CD2-CG 4.17Å; Y96-L100 HydrophobicContact CE1-CD1 3.59Å; Y96-L100 HydrophobicContact CE1-CG 4.2Å; Y96-L100 HydrophobicContact CE2-CD1 4.09Å; Y96-L100 HydrophobicContact CE2-CD2 3.69Å; Y96-L100 HydrophobicContact CE2-CG 3.79Å; Y96-L100 WeakPolarHBondContact O-CG 3.4Å; Y96-L100 PolarHBondContact O-N 3.34Å; C97-L100 PolarHBondContact O-N 3.34Å; L100-L102 PolarHBondContact O-N 2.91Å; L100-R103 PolarHBondContact O-N 3.05Å; L100-D104 WeakPolarHBondContact O-CB 3.38Å; L100-D104 PolarHBondContact O-N 3.09Å; L100-C229 HydrophobicContact CD1-CB 4.05Å
101Y98.3Very high97.4Very high45 Ų4540.8 Ų40.818%0.17619%0.189CC..Iπ-helixtrans-58.2-50.4177.6-175.7-102.4000111.4C97 S98 A99 R103 V105 V106 L182 I219 F225C97-Y101 WeakPolarHBondContact O-CB 3.12Å; C97-Y101 PolarHBondContact O-N 3.05Å; S98-Y101 PolarHBondContact O-N 3.34Å; A99-Y101 PolarHBondContact O-N 2.9Å; Y101-R103 VanDerWaalsContact C-N 3.34Å; Y101-R103 PolarHBondContact O-N 3.41Å; Y101-V105 HydrophobicContact CD2-CB 3.93Å; Y101-V105 HydrophobicContact CD2-CG1 4.2Å; Y101-V105 HydrophobicContact CD2-CG2 3.96Å; Y101-V105 HydrophobicContact CE2-CB 4.06Å; Y101-V105 HydrophobicContact CE2-CG1 3.82Å; Y101-V105 HydrophobicContact CE2-CG2 4.37Å; Y101-V105 WeakPolarHBondContact O-CB 3.37Å; Y101-V105 PolarHBondContact O-N 3.11Å; Y101-V105 VanDerWaalsContact O-N 3.11Å; Y101-V106 HydrophobicContact CD1-CG2 3.73Å; Y101-V106 HydrophobicContact CE1-CG2 3.34Å; Y101-V106 PolarHBondContact O-N 2.89Å; Y101-L182 HydrophobicContact CD1-CD1 4.02Å; Y101-L182 HydrophobicContact CD1-CD2 4.41Å; Y101-L182 HydrophobicContact CE1-CD1 4.15Å; Y101-L182 HydrophobicContact CE1-CD2 3.85Å; Y101-I219 HydrophobicContact CD1-CD1 3.75Å; Y101-I219 HydrophobicContact CD2-CD1 4.11Å; Y101-I219 HydrophobicContact CE1-CD1 4.1Å; Y101-I219 HydrophobicContact CE2-CD1 4.45Å; Y101-I219 HydrophobicContact CG-CD1 3.75Å; Y101-F225 HydrophobicContact CD2-CD1 4.18Å; Y101-F225 AromaticContact CD2-CD2 3.94Å; Y101-F225 HydrophobicContact CD2-CD2 3.94Å; Y101-F225 AromaticContact CD2-CE1 3.9Å; Y101-F225 HydrophobicContact CD2-CE1 3.9Å; Y101-F225 AromaticContact CD2-CE2 3.69Å; Y101-F225 HydrophobicContact CD2-CE2 3.69Å; Y101-F225 HydrophobicContact CD2-CG 4.18Å; Y101-F225 AromaticContact CD2-CZ 3.65Å; Y101-F225 HydrophobicContact CD2-CZ 3.65Å; Y101-F225 HydrophobicContact CG-CE1 4.18Å; Y101-F225 HydrophobicContact CG-CZ 4.14Å
102L98.5Very high97.5Very high0 Ų040.7 Ų40.70%019%0.189CC..Iπ-helixtrans-64.8-37.9-179.9-77.6164000112.3S98 A99 L100 K107 V108 V112 L124 I129 A153 L155 L182S98-L102 WeakPolarHBondContact O-CB 3.24Å; S98-L102 WeakPolarHBondContact O-CG 3.42Å; S98-L102 PolarHBondContact O-N 3Å; A99-L102 PolarHBondContact O-N 3.26Å; L100-L102 PolarHBondContact O-N 2.91Å; L102-K107 WeakPolarHBondContact O-CA 3.48Å; L102-K107 PolarHBondContact O-N 2.93Å; L102-V108 HydrophobicContact CB-CG1 4.16Å; L102-V108 HydrophobicContact CD2-CB 4.28Å; L102-V108 HydrophobicContact CD2-CG1 4.31Å; L102-V108 PolarHBondContact O-N 3.15Å; L102-V112 HydrophobicContact CD1-CG1 4.44Å; L102-V112 HydrophobicContact CD1-CG2 4.07Å; L102-V112 HydrophobicContact CD2-CG2 4.33Å; L102-L124 HydrophobicContact CD1-CD2 3.62Å; L102-I129 HydrophobicContact CB-CD1 3.49Å; L102-I129 VanDerWaalsContact CB-CD1 3.49Å; L102-I129 HydrophobicContact CB-CG1 4.47Å; L102-I129 HydrophobicContact CD1-CD1 4.35Å; L102-A153 HydrophobicContact CD2-CB 4.06Å; L102-L155 HydrophobicContact CD1-CD2 4.33Å; L102-L182 HydrophobicContact CD1-CD1 4.37Å; L102-L182 HydrophobicContact CD2-CD1 3.68Å; L102-L182 HydrophobicContact CG-CD1 3.98Å
103R97.8Very high97.5Very high101 Ų10141 Ų4138%0.38119%0.19SC..Iπ-helixtrans-75.4-51.1-179-171.9-172.370.9-1640112.8A99 L100 Y101 K107 I129A99-R103 VanDerWaalsContact O-CB 3.27Å; A99-R103 WeakPolarHBondContact O-CB 3.48Å; A99-R103 PolarHBondContact O-N 3.09Å; L100-R103 PolarHBondContact O-N 3.05Å; Y101-R103 VanDerWaalsContact C-N 3.34Å; Y101-R103 PolarHBondContact O-N 3.41Å; R103-K107 WeakPolarHBondContact O-CA 3.42Å; R103-K107 WeakPolarHBondContact O-CG 3.26Å; R103-I129 HydrophobicContact CB-CD1 4.29Å
104D96.6Very high97.6Very high80 Ų8041.1 Ų41.143%0.42819%0.19SC..Iπ-helixtrans-100.3-36.8-163.8-61-29.9000112.8L100 K107L100-D104 WeakPolarHBondContact O-CB 3.38Å; L100-D104 PolarHBondContact O-N 3.09Å; D104-K107 WeakPolarHBondContact O-CE 3.35Å
105V96.8Very high97.6Very high83 Ų8341.1 Ų41.150%0.50319%0.19SC..Iπ-helixtrans-88-59.3-179-175.40000110.3Y101 F225Y101-V105 HydrophobicContact CD2-CB 3.93Å; Y101-V105 HydrophobicContact CD2-CG1 4.2Å; Y101-V105 HydrophobicContact CD2-CG2 3.96Å; Y101-V105 HydrophobicContact CE2-CB 4.06Å; Y101-V105 HydrophobicContact CE2-CG1 3.82Å; Y101-V105 HydrophobicContact CE2-CG2 4.37Å; Y101-V105 WeakPolarHBondContact O-CB 3.37Å; Y101-V105 PolarHBondContact O-N 3.11Å; Y101-V105 VanDerWaalsContact O-N 3.11Å; V105-F225 HydrophobicContact CG2-CE2 3.57Å; V105-F225 HydrophobicContact CG2-CZ 4.01Å
106V97.4Very high97.5Very high48 Ų4841.2 Ų41.229%0.29119%0.192SC..Iπ-helixtrans-73.7-38-178.7176.20000111.1Y101 V108 L180Y101-V106 HydrophobicContact CD1-CG2 3.73Å; Y101-V106 HydrophobicContact CE1-CG2 3.34Å; Y101-V106 PolarHBondContact O-N 2.89Å; V106-V108 VanDerWaalsContact C-N 3.33Å; V106-V108 HydrophobicContact CG1-CB 4.01Å; V106-L180 HydrophobicContact CB-CD1 4.26Å; V106-L180 HydrophobicContact CG1-CD1 3.48Å; V106-L180 VanDerWaalsContact CG1-CD1 3.48Å; V106-L180 HydrophobicContact CG2-CD1 3.71Å
107K97.5Very high97.4Very high147 Ų14741 Ų4164%0.63919%0.194SC*.  trans55.150.8-171.3-57.7175.7-178.6176.70111L102 R103 D104 R109L102-K107 WeakPolarHBondContact O-CA 3.48Å; L102-K107 PolarHBondContact O-N 2.93Å; R103-K107 WeakPolarHBondContact O-CA 3.42Å; R103-K107 WeakPolarHBondContact O-CG 3.26Å; D104-K107 WeakPolarHBondContact O-CE 3.35Å; K107-R109 PolarHBondContact O-N 3.11Å
108V97.3Very high97.1Very high27 Ų2748 Ų4816%0.16423%0.226CC..  trans-55.5134.6-172.369.40000111.2L102 V106 I129 K152L102-V108 HydrophobicContact CB-CG1 4.16Å; L102-V108 HydrophobicContact CD2-CB 4.28Å; L102-V108 HydrophobicContact CD2-CG1 4.31Å; L102-V108 PolarHBondContact O-N 3.15Å; V106-V108 VanDerWaalsContact C-N 3.33Å; V106-V108 HydrophobicContact CG1-CB 4.01Å; V108-I129 HydrophobicContact CG1-CG1 4.36Å; V108-I129 HydrophobicContact CG1-CG2 4.03Å; V108-K152 HydrophobicContact CG2-CB 3.66Å; V108-K152 HydrophobicContact CG2-CG 4.26Å
109R95.6Very high96.8Very high223 Ų22348.1 Ų48.184%0.84223%0.228SC*.  trans-124.498.6174.3-66.4-174.6-178.8-177.4-0.2108.7K107 K152K107-R109 PolarHBondContact O-N 3.11Å; R109-K152 WeakPolarHBondContact O-CE 3.33Å; R109-K152 WeakPolarHBondContact O-CG 3.26Å
110G96.1Very high96.7Very high15 Ų1548.1 Ų48.116%0.15523%0.228CC..SBendtrans139.4-161.9-173.500000110.1D150G110-D150 VanDerWaalsContact CA-OD2 3.3Å; G110-D150 WeakPolarHBondContact CA-OD2 3.36Å
111Q97.8Very high96.7Very high51 Ų5150.5 Ų50.524%0.23824%0.237CC..EExtended strand (participates in β ladder)trans-100.1152.5-174.5-59-172.679.800112.7P130 V132 P149 D150 V151 K152Q111-P130 CarbonylContact C-O 3.6Å; Q111-P130 WeakPolarHBondContact CA-O 3.42Å; Q111-P130 HydrophobicContact CG-CB 4.29Å; Q111-V132 HydrophobicContact CB-CG2 3.95Å; Q111-P149 PolarHBondContact NE2-O 3.4Å; Q111-D150 PolarHBondContact N-O 3.45Å; Q111-V151 HydrophobicContact CB-CG2 4.38Å; Q111-V151 CarbonylContact O-C 3.57Å; Q111-V151 WeakPolarHBondContact O-CA 3.34Å; Q111-K152 PolarHBondContact O-N 3.28Å
112V98.5Very high96.6Very high0 Ų051.7 Ų51.70%025%0.246CC..EExtended strand (participates in β ladder)trans-106.7125.7169.6-177.30000109.2L102 V114 L124 I129 P130 C131 V132 A153 L155L102-V112 HydrophobicContact CD1-CG1 4.44Å; L102-V112 HydrophobicContact CD1-CG2 4.07Å; L102-V112 HydrophobicContact CD2-CG2 4.33Å; V112-V114 HydrophobicContact CG1-CG2 3.96Å; V112-L124 HydrophobicContact CG1-CD1 4.42Å; V112-I129 HydrophobicContact CB-CG2 4.39Å; V112-I129 HydrophobicContact CG2-CG2 3.51Å; V112-P130 PolarHBondContact N-O 2.8Å; V112-C131 VanDerWaalsContact O-CA 3.32Å; V112-C131 WeakPolarHBondContact O-CA 3.47Å; V112-V132 PolarHBondContact O-N 2.97Å; V112-A153 CarbonylContact C-O 3.34Å; V112-A153 WeakPolarHBondContact CA-O 3.47Å; V112-A153 HydrophobicContact CG1-CB 4.23Å; V112-A153 HydrophobicContact CG2-CB 4.22Å; V112-L155 HydrophobicContact CG1-CB 3.85Å
113F98.5Very high96.5Very high9 Ų951.8 Ų51.84%0.03925%0.246CC..EExtended strand (participates in β ladder)trans-85.4118.4167.9-176.2-102.4000108.9I115 V132 V151 A153 V154 L155 K169 A170 Y173F113-I115 HydrophobicContact CD1-CG1 4.39Å; F113-I115 HydrophobicContact CE1-CD1 4.29Å; F113-I115 HydrophobicContact CE1-CG1 3.81Å; F113-V132 HydrophobicContact CB-CG2 4.22Å; F113-V132 HydrophobicContact CD2-CB 4Å; F113-V132 HydrophobicContact CD2-CG1 4.08Å; F113-V132 HydrophobicContact CD2-CG2 4.26Å; F113-V151 HydrophobicContact CB-CG1 3.93Å; F113-A153 PolarHBondContact N-O 2.98Å; F113-V154 HydrophobicContact CB-CG2 4.35Å; F113-V154 HydrophobicContact CD1-CG1 4.37Å; F113-V154 HydrophobicContact CD1-CG2 4.43Å; F113-V154 WeakPolarHBondContact O-CA 3.48Å; F113-L155 PolarHBondContact O-N 3.48Å; F113-K169 HydrophobicContact CE1-CB 4.37Å; F113-K169 HydrophobicContact CE2-CB 4.28Å; F113-K169 HydrophobicContact CZ-CB 3.88Å; F113-A170 HydrophobicContact CD1-CB 3.96Å; F113-A170 HydrophobicContact CE1-CB 3.78Å; F113-Y173 HydrophobicContact CB-CD2 3.79Å; F113-Y173 HydrophobicContact CB-CE2 3.82Å; F113-Y173 AromaticContact CD1-CD2 3.99Å; F113-Y173 HydrophobicContact CD1-CD2 3.99Å; F113-Y173 HydrophobicContact CD1-CE2 4.07Å; F113-Y173 HydrophobicContact CD2-CD2 4.17Å; F113-Y173 AromaticContact CD2-CE2 3.47Å; F113-Y173 HydrophobicContact CD2-CE2 3.47Å; F113-Y173 VanDerWaalsContact CD2-CE2 3.47Å; F113-Y173 HydrophobicContact CE2-CE2 4.01Å; F113-Y173 AromaticContact CG-CD2 3.71Å; F113-Y173 HydrophobicContact CG-CD2 3.71Å; F113-Y173 AromaticContact CG-CE2 3.49Å; F113-Y173 HydrophobicContact CG-CE2 3.49Å; F113-Y173 VanDerWaalsContact CG-CE2 3.49Å
114V98.3Very high96.4Very high1 Ų147 Ų471%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-106.2126.1-174.1-178.10000109.3V112 L120 R121 L124 C131 L155V112-V114 HydrophobicContact CG1-CG2 3.96Å; V114-L120 HydrophobicContact CG1-CD2 3.62Å; V114-L120 HydrophobicContact CG1-CG 4.01Å; V114-R121 HydrophobicContact CB-CG 4.34Å; V114-R121 HydrophobicContact CG1-CG 4.06Å; V114-L124 HydrophobicContact CG2-CD1 3.49Å; V114-L124 VanDerWaalsContact CG2-CD1 3.49Å; V114-C131 HydrophobicContact CG2-CB 4.4Å; V114-L155 WeakPolarHBondContact CA-O 3.38Å
115I97.9Very high96.4Very high0 Ų048.9 Ų48.90%024%0.238CC..EExtended strand (participates in β ladder)trans-102101159.3-63.7-177000105.6F113 L155 V156 G157 D159 L162 K166 L167 A170 L208F113-I115 HydrophobicContact CD1-CG1 4.39Å; F113-I115 HydrophobicContact CE1-CD1 4.29Å; F113-I115 HydrophobicContact CE1-CG1 3.81Å; I115-L155 PolarHBondContact N-O 3.44Å; I115-V156 HydrophobicContact CB-CG1 4.42Å; I115-V156 HydrophobicContact CG2-CG1 4.39Å; I115-G157 PolarHBondContact O-N 2.99Å; I115-D159 HydrophobicContact CG2-CB 3.8Å; I115-L162 HydrophobicContact CD1-CD1 4.44Å; I115-L162 HydrophobicContact CG2-CD1 3.52Å; I115-K166 HydrophobicContact CD1-CB 4.38Å; I115-K166 HydrophobicContact CG1-CB 4.39Å; I115-L167 HydrophobicContact CD1-CD2 4.3Å; I115-A170 HydrophobicContact CD1-CB 3.9Å; I115-L208 HydrophobicContact CD1-CD1 3.58Å
116G96.4Very high96.4Very high3 Ų350.2 Ų50.23%0.03124%0.238CC..SBendtrans174.9164.8-175.900000113.4H158 D159G116-H158 CarbonylContact C-O 3.45Å; G116-H158 VanDerWaalsContact CA-O 3.23Å; G116-H158 WeakPolarHBondContact CA-O 3.3Å; G116-D159 PolarHBondContact N-OD2 3.41Å
117C94.4Very high96.3Very high22 Ų2248.8 Ų48.815%0.14923%0.232CC..  trans-64.4166.6175.5-650000113G119 L120 H158C117-G119 PolarHBondContact O-N 3.44Å; C117-L120 WeakPolarHBondContact O-CB 3.4Å; C117-L120 PolarHBondContact O-N 3.17Å; C117-L120 VanDerWaalsContact O-N 3.12Å; C117-H158 PolarHBondContact N-O 2.94Å; C117-H158 PolarHBondContact SG-O 3.48Å
118E91.8Very high96.3Very high147 Ų14744.8 Ų44.869%0.68723%0.232SC*.Hα-helixtrans-54.5-36.7179.3-174.7174.8-154.200113.2L120 R121 L122E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 3.2Å; E118-R121 WeakPolarHBondContact O-CB 3.47Å; E118-R121 PolarHBondContact O-N 3.3Å; E118-L122 HydrophobicContact CG-CD1 4.06Å; E118-L122 HydrophobicContact CG-CG 4.18Å; E118-L122 WeakPolarHBondContact O-CG 3.38Å; E118-L122 PolarHBondContact O-N 3.41Å
119G92.6Very high96.4Very high3 Ų343.8 Ų43.83%0.03123%0.226CC..Hα-helixtrans-59.4-36.5179.200000114.2C117 L122 E123C117-G119 PolarHBondContact O-N 3.44Å; G119-L122 PolarHBondContact O-N 2.75Å; G119-E123 PolarHBondContact O-N 2.82Å
120L96Very high96.4Very high0 Ų036.6 Ų36.60%021%0.207CC..Hα-helixtrans-65.8-40.9174.2179.758.1000111.5S67 V114 C117 E118 E123 L124 L155 T184S67-L120 PolarHBondContact O-N 2.94Å; V114-L120 HydrophobicContact CG1-CD2 3.62Å; V114-L120 HydrophobicContact CG1-CG 4.01Å; C117-L120 WeakPolarHBondContact O-CB 3.4Å; C117-L120 PolarHBondContact O-N 3.17Å; C117-L120 VanDerWaalsContact O-N 3.12Å; E118-L120 VanDerWaalsContact C-N 3.29Å; E118-L120 PolarHBondContact O-N 3.2Å; L120-E123 PolarHBondContact O-N 3.3Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.02Å; L120-L155 HydrophobicContact CD1-CD2 3.88Å; L120-L155 HydrophobicContact CD2-CD2 4.12Å; L120-L155 HydrophobicContact CD2-CG 4.26Å; L120-L155 HydrophobicContact CG-CD2 4.23Å; L120-T184 HydrophobicContact CD1-CG2 3.87Å; L120-T184 HydrophobicContact CD2-CG2 3.89Å
121R95.9Very high96.5Very high55 Ų5536.9 Ų36.921%0.20821%0.207CC..Hα-helixtrans-67.4-37.3179.1-60179.964.793.75.2111.8V114 E118 L124 L125 V132V114-R121 HydrophobicContact CB-CG 4.34Å; V114-R121 HydrophobicContact CG1-CG 4.06Å; E118-R121 WeakPolarHBondContact O-CB 3.47Å; E118-R121 PolarHBondContact O-N 3.3Å; R121-L124 PolarHBondContact O-N 2.99Å; R121-L125 WeakPolarHBondContact O-CB 3.37Å; R121-L125 PolarHBondContact O-N 3.44Å; R121-V132 PolarHBondContact NH1-O 3.06Å; R121-V132 PolarHBondContact NH2-O 3.24Å
122L95.9Very high96.4Very high70 Ų7034.8 Ų34.837%0.36620%0.198SC..Hα-helixtrans-65.5-41.6177.1-70.2173.6000112.2P70 E118 G119 L124 L125 E126P70-L122 HydrophobicContact CB-CB 4.34Å; P70-L122 HydrophobicContact CG-CD1 4.1Å; E118-L122 HydrophobicContact CG-CD1 4.06Å; E118-L122 HydrophobicContact CG-CG 4.18Å; E118-L122 WeakPolarHBondContact O-CG 3.38Å; E118-L122 PolarHBondContact O-N 3.41Å; G119-L122 PolarHBondContact O-N 2.75Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-L124 PolarHBondContact O-N 3.48Å; L122-L125 PolarHBondContact O-N 3.21Å; L122-E126 WeakPolarHBondContact O-CB 3.48Å; L122-E126 PolarHBondContact O-N 3.18Å
123E96.6Very high95.8Very high2 Ų241.2 Ų41.21%0.00923%0.228CC..Hα-helixtrans-62.6-40174.7-71.4-73.7165.100112.1P70 R71 Y96 A99 G119 L120 A127P70-E123 WeakPolarHBondContact CA-OE1 3.42Å; P70-E123 HydrophobicContact CB-CG 4.45Å; R71-E123 WeakPolarHBondContact CB-OE1 3.28Å; R71-E123 VanDerWaalsContact CG-OE1 3.26Å; R71-E123 WeakPolarHBondContact CG-OE1 3.01Å; R71-E123 IonicContact CZ-OE2 3.69Å; R71-E123 PolarHBondContact N-OE1 3.17Å; R71-E123 IonicContact NE-OE1 3.75Å; R71-E123 PolarHBondContact NE-OE1 2.95Å; R71-E123 IonicContact NE-OE2 2.67Å; R71-E123 PolarHBondContact NE-OE2 3.49Å; R71-E123 IonicContact NH2-OE2 3.87Å; Y96-E123 WeakPolarHBondContact CB-OE2 2.99Å; Y96-E123 VanDerWaalsContact CD2-OE2 3.29Å; Y96-E123 WeakPolarHBondContact CD2-OE2 3.45Å; A99-E123 HydrophobicContact CB-CB 4.42Å; G119-E123 PolarHBondContact O-N 2.82Å; L120-E123 PolarHBondContact O-N 3.3Å; E123-A127 WeakPolarHBondContact O-CB 3.39Å; E123-A127 PolarHBondContact O-N 2.88Å; E123-A127 VanDerWaalsContact O-N 3.11Å
124L97.4Very high94.9Very high0 Ų045.4 Ų45.40%025%0.248CC..Hα-helixtrans-64.7-43.2174.5-67.7174.1000111.6A99 L102 V112 V114 L120 R121 L122 A127 G128 I129 C131 L155A99-L124 HydrophobicContact CB-CD2 3.96Å; L102-L124 HydrophobicContact CD1-CD2 3.62Å; V112-L124 HydrophobicContact CG1-CD1 4.42Å; V114-L124 HydrophobicContact CG2-CD1 3.49Å; V114-L124 VanDerWaalsContact CG2-CD1 3.49Å; L120-L124 WeakPolarHBondContact O-CG 3.48Å; L120-L124 PolarHBondContact O-N 3.02Å; R121-L124 PolarHBondContact O-N 2.99Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-L124 PolarHBondContact O-N 3.48Å; L124-A127 CarbonylContact O-C 3.57Å; L124-A127 PolarHBondContact O-N 2.8Å; L124-G128 PolarHBondContact O-N 3.14Å; L124-I129 HydrophobicContact CB-CB 4.22Å; L124-I129 HydrophobicContact CD2-CB 4.36Å; L124-I129 HydrophobicContact CD2-CD1 3.8Å; L124-I129 HydrophobicContact CD2-CG2 4.3Å; L124-I129 WeakPolarHBondContact O-CB 3.21Å; L124-I129 PolarHBondContact O-N 3.09Å; L124-C131 WeakPolarHBondContact CD1-SG 3.07Å; L124-L155 HydrophobicContact CD1-CD2 4.04Å; L124-L155 HydrophobicContact CD2-CD2 4.29Å
125L96.4Very high94.1Very high121 Ų12151 Ų5163%0.63428%0.278SS*.Hα-helixtrans-61.3-44.9177.3179.163.6000111.7R121 L122 A127 G128R121-L125 WeakPolarHBondContact O-CB 3.37Å; R121-L125 PolarHBondContact O-N 3.44Å; L122-L125 PolarHBondContact O-N 3.21Å; L125-A127 VanDerWaalsContact C-N 3.26Å; L125-A127 PolarHBondContact O-N 2.77Å; L125-G128 WeakPolarHBondContact O-CA 3.42Å; L125-G128 PolarHBondContact O-N 3.09Å
126E95.9Very high93.5Very high111 Ų11153.7 Ų53.752%0.51929%0.292SS..Hα-helixtrans-61.9-35.2177.2-167.9-175.6161.200111.8L122 G128L122-E126 WeakPolarHBondContact O-CB 3.48Å; L122-E126 PolarHBondContact O-N 3.18Å; E126-G128 PolarHBondContact O-N 2.85Å
127A96.4Very high92.9Very high18 Ų1858.5 Ų58.515%0.14932%0.317CS..THydrogen-bonded Turntrans-76.1-0.2172.700000114.3A99 E123 L124 L125 I129A99-A127 HydrophobicContact CB-CB 3.76Å; E123-A127 WeakPolarHBondContact O-CB 3.39Å; E123-A127 PolarHBondContact O-N 2.88Å; E123-A127 VanDerWaalsContact O-N 3.11Å; L124-A127 CarbonylContact O-C 3.57Å; L124-A127 PolarHBondContact O-N 2.8Å; L125-A127 VanDerWaalsContact C-N 3.26Å; L125-A127 PolarHBondContact O-N 2.77Å; A127-I129 HydrophobicContact CB-CD1 3.88Å; A127-I129 HydrophobicContact CB-CG1 4.24Å
128G97.4Very high92.6Very high62 Ų6263.6 Ų63.664%0.63935%0.35SS*.THydrogen-bonded Turntrans74.623.5-179.400000114L124 L125 E126 P130L124-G128 PolarHBondContact O-N 3.14Å; L125-G128 WeakPolarHBondContact O-CA 3.42Å; L125-G128 PolarHBondContact O-N 3.09Å; E126-G128 PolarHBondContact O-N 2.85Å; G128-P130 WeakPolarHBondContact O-CD 3.44Å
129I98Very high92.4Very high7 Ų762.9 Ų62.94%0.03635%0.351CS..  trans-96.3115.5-177.8-61.8162000109.7A99 L102 R103 V108 V112 L124 A127 C131A99-I129 HydrophobicContact CB-CD1 4.34Å; A99-I129 VanDerWaalsContact O-CD1 3.28Å; A99-I129 WeakPolarHBondContact O-CD1 3.2Å; L102-I129 HydrophobicContact CB-CD1 3.49Å; L102-I129 VanDerWaalsContact CB-CD1 3.49Å; L102-I129 HydrophobicContact CB-CG1 4.47Å; L102-I129 HydrophobicContact CD1-CD1 4.35Å; R103-I129 HydrophobicContact CB-CD1 4.29Å; V108-I129 HydrophobicContact CG1-CG1 4.36Å; V108-I129 HydrophobicContact CG1-CG2 4.03Å; V112-I129 HydrophobicContact CB-CG2 4.39Å; V112-I129 HydrophobicContact CG2-CG2 3.51Å; L124-I129 HydrophobicContact CB-CB 4.22Å; L124-I129 HydrophobicContact CD2-CB 4.36Å; L124-I129 HydrophobicContact CD2-CD1 3.8Å; L124-I129 HydrophobicContact CD2-CG2 4.3Å; L124-I129 WeakPolarHBondContact O-CB 3.21Å; L124-I129 PolarHBondContact O-N 3.09Å; A127-I129 HydrophobicContact CB-CD1 3.88Å; A127-I129 HydrophobicContact CB-CG1 4.24Å; I129-C131 PolarHBondContact O-N 3.07Å
130P96.5Very high92.3Very high71 Ų7163.8 Ų63.846%0.46136%0.358SS..  trans-64.2131.9177.2-21.634.2000111.7Q111 V112 G128Q111-P130 CarbonylContact C-O 3.6Å; Q111-P130 WeakPolarHBondContact CA-O 3.42Å; Q111-P130 HydrophobicContact CG-CB 4.29Å; V112-P130 PolarHBondContact N-O 2.8Å; G128-P130 WeakPolarHBondContact O-CD 3.44Å
131C96.9Very high92.2Very high22 Ų2266.9 Ų66.915%0.14938%0.377CS..BIsolated β-bridgetrans-109.4144.4173.8-63.40000110.1V112 V114 L124 I129 E133V112-C131 VanDerWaalsContact O-CA 3.32Å; V112-C131 WeakPolarHBondContact O-CA 3.47Å; V114-C131 HydrophobicContact CG2-CB 4.4Å; L124-C131 WeakPolarHBondContact CD1-SG 3.07Å; I129-C131 PolarHBondContact O-N 3.07Å; C131-E133 PolarHBondContact O-N 2.69Å
132V95.8Very high92.1Very high6 Ų667.2 Ų67.24%0.03638%0.382CS..  trans-60.6128.6170.4178.20000109.2Q111 V112 F113 R121 A148 V151Q111-V132 HydrophobicContact CB-CG2 3.95Å; V112-V132 PolarHBondContact O-N 2.97Å; F113-V132 HydrophobicContact CB-CG2 4.22Å; F113-V132 HydrophobicContact CD2-CB 4Å; F113-V132 HydrophobicContact CD2-CG1 4.08Å; F113-V132 HydrophobicContact CD2-CG2 4.26Å; R121-V132 PolarHBondContact NH1-O 3.06Å; R121-V132 PolarHBondContact NH2-O 3.24Å; V132-A148 HydrophobicContact CB-CB 4.36Å; V132-A148 HydrophobicContact CG1-CB 3.62Å; V132-A148 HydrophobicContact CG2-CB 3.83Å; V132-V151 HydrophobicContact CG2-CG2 3.57Å
133E86.3Confident91.9Very high135 Ų13573.8 Ų73.863%0.63140%0.403SS*.  trans-65.8147.1176.7-62.7-166.415500111.3C131 D135C131-E133 PolarHBondContact O-N 2.69Å; E133-D135 PolarHBondContact O-N 3.12Å
134E80.6Confident91.7Very high98 Ų9878.7 Ų78.746%0.45843%0.429SS..  trans-9767.2174.8-67.3-167.8169.900109.2K166E134-K166 WeakPolarHBondContact OE1-CE 3.42Å; E134-K166 IonicContact OE1-NZ 2.83Å; E134-K166 PolarHBondContact OE1-NZ 2.97Å; E134-K166 IonicContact OE2-NZ 3.54Å
135D81.7Confident91.3Very high119 Ų11979.8 Ų79.864%0.63644%0.437SS*.  trans-117.931.8-176.670.1-31.6000112.4E133 D137E133-D135 PolarHBondContact O-N 3.12Å; D135-D137 PolarHBondContact O-N 3.3Å
136D84.6Confident91.1Very high56 Ų5677.6 Ų77.630%0.29944%0.436SS..  trans-54.7136.9179-76.8-54.9000111.6A140 L165 K169D136-A140 HydrophobicContact CB-CB 4.43Å; D136-L165 HydrophobicContact CB-CD2 4.5Å; D136-K169 IonicContact OD1-NZ 3.64Å; D136-K169 PolarHBondContact OD1-NZ 2.79Å; D136-K169 IonicContact OD2-NZ 2.71Å; D136-K169 PolarHBondContact OD2-NZ 2.97Å
137D84.8Confident91Very high104 Ų10476.1 Ų76.156%0.55643%0.432SS*.  trans-53.4133.8172-172.4-39.6000109.5D135 D139 A140D135-D137 PolarHBondContact O-N 3.3Å; D137-D139 PolarHBondContact O-N 3.4Å; D137-D139 VanDerWaalsContact O-N 3.08Å; D137-D139 PolarHBondContact OD1-N 3.47Å; D137-A140 HydrophobicContact CB-CB 4.22Å; D137-A140 WeakPolarHBondContact O-CA 3.47Å; D137-A140 WeakPolarHBondContact O-CB 3.26Å; D137-A140 PolarHBondContact O-N 2.84Å
138P86.5Confident91Very high129 Ų12976.4 Ų76.484%0.83843%0.434SS*.THydrogen-bonded Turntrans-52-28.9175.2-28.135.3000114.7
139D88.9Confident90.8Very high132 Ų13278.4 Ų78.471%0.70644%0.435SS*.THydrogen-bonded Turntrans-91.85.8177.3-67.1-33.1000113D137 T141D137-D139 PolarHBondContact O-N 3.4Å; D137-D139 VanDerWaalsContact O-N 3.08Å; D137-D139 PolarHBondContact OD1-N 3.47Å; D139-T141 PolarHBondContact O-N 3.08Å
140A90.3Very high90.7Very high22 Ų2282.3 Ų82.318%0.18246%0.457CS..  trans-66.1129.7175.500000111.1D136 D137 C145 L165D136-A140 HydrophobicContact CB-CB 4.43Å; D137-A140 HydrophobicContact CB-CB 4.22Å; D137-A140 WeakPolarHBondContact O-CA 3.47Å; D137-A140 WeakPolarHBondContact O-CB 3.26Å; D137-A140 PolarHBondContact O-N 2.84Å; A140-C145 HydrophobicContact CB-CB 4.45Å; A140-L165 HydrophobicContact CB-CD2 4.33Å
141T92.9Very high90.8Very high65 Ų6579.5 Ų79.540%0.39944%0.438SS..  trans-120.2169.8173.975.80000109.1D139 Y143 N144 C145D139-T141 PolarHBondContact O-N 3.08Å; T141-Y143 PolarHBondContact O-N 2.88Å; T141-Y143 PolarHBondContact OG1-N 3.11Å; T141-N144 WeakPolarHBondContact CA-OD1 3.35Å; T141-N144 WeakPolarHBondContact CB-OD1 3.46Å; T141-N144 PolarHBondContact N-OD1 2.93Å; T141-N144 PolarHBondContact O-N 3.47Å; T141-N144 PolarHBondContact O-OD1 3.28Å; T141-N144 VanDerWaalsContact O-OD1 3.13Å; T141-N144 PolarHBondContact OG1-OD1 2.84Å; T141-C145 VanDerWaalsContact O-CB 3.31Å; T141-C145 WeakPolarHBondContact O-CB 3.36Å; T141-C145 PolarHBondContact O-N 2.59Å
142I94.6Very high90.9Very high61 Ų6182 Ų8231%0.31345%0.446SS..THydrogen-bonded Turntrans-59.9-13.4174.962.9176.7000114.8F164 L165 A168I142-F164 HydrophobicContact CD1-CD1 4.19Å; I142-F164 HydrophobicContact CD1-CE1 3.75Å; I142-F164 HydrophobicContact CG2-CD1 3.65Å; I142-F164 HydrophobicContact CG2-CE1 4.03Å; I142-L165 HydrophobicContact CG2-CD1 4.32Å; I142-A168 HydrophobicContact CB-CB 4.08Å; I142-A168 HydrophobicContact CG2-CB 3.72Å
143Y92.4Very high91Very high209 Ų20981.7 Ų81.782%0.8244%0.444SS*.THydrogen-bonded Turntrans-100.5-16.8-177.5-58.4-67.6000113.7T141T141-Y143 PolarHBondContact O-N 2.88Å; T141-Y143 PolarHBondContact OG1-N 3.11Å
144N91.1Very high91.6Very high104 Ų10475.2 Ų75.256%0.55641%0.414SS*.THydrogen-bonded Turntrans-132.95.2-175.768-20.2000113.4T141T141-N144 WeakPolarHBondContact CA-OD1 3.35Å; T141-N144 WeakPolarHBondContact CB-OD1 3.46Å; T141-N144 PolarHBondContact N-OD1 2.93Å; T141-N144 PolarHBondContact O-N 3.47Å; T141-N144 PolarHBondContact O-OD1 3.28Å; T141-N144 VanDerWaalsContact O-OD1 3.13Å; T141-N144 PolarHBondContact OG1-OD1 2.84Å
145C90Very high92.5Very high23 Ų2370.6 Ų70.616%0.15539%0.392CS..  trans-62.7138.3177.964.40000112A140 T141 L165 K169A140-C145 HydrophobicContact CB-CB 4.45Å; T141-C145 VanDerWaalsContact O-CB 3.31Å; T141-C145 WeakPolarHBondContact O-CB 3.36Å; T141-C145 PolarHBondContact O-N 2.59Å; C145-L165 HydrophobicContact CB-CD1 3.6Å; C145-K169 HydrophobicContact CB-CD 4.46Å; C145-K169 HydrophobicContact CB-CG 4.48Å
146A91.6Very high93.3Very high75 Ų7564.9 Ų64.962%0.6236%0.362SS*.  trans-71.6142.5172.500000110.4
147L94.5Very high93.9Very high81 Ų8162.2 Ų62.242%0.42435%0.348SS..  trans-104.8129.7169.7-63.3178.3000108.4K169 C172 Y173L147-K169 HydrophobicContact CD2-CB 4.13Å; L147-K169 HydrophobicContact CD2-CG 4.01Å; L147-C172 HydrophobicContact CD1-CB 3.58Å; L147-C172 HydrophobicContact CD2-CB 3.98Å; L147-C172 HydrophobicContact CG-CB 4.44Å; L147-Y173 HydrophobicContact CB-CE1 3.84Å; L147-Y173 HydrophobicContact CD2-CE1 3.99Å; L147-Y173 HydrophobicContact CD2-CE2 4.32Å; L147-Y173 HydrophobicContact CG-CE1 4.38Å
148A95.1Very high94.5Very high24 Ų2459 Ų5920%0.19833%0.33CS..  trans-63.6138.7173.500000109.6V132 V151 Y173V132-A148 HydrophobicContact CB-CB 4.36Å; V132-A148 HydrophobicContact CG1-CB 3.62Å; V132-A148 HydrophobicContact CG2-CB 3.83Å; A148-V151 HydrophobicContact CB-CG2 4.13Å; A148-Y173 PolarHBondContact N-OH 2.81Å; A148-Y173 WeakPolarHBondContact O-CE1 3.38Å
149P94.3Very high95Very high103 Ų10353.4 Ų53.467%0.66929%0.292SS*.THydrogen-bonded Turntrans-72.2158.8174.931.6-35000110.8Q111 V151Q111-P149 PolarHBondContact NE2-O 3.4Å; P149-V151 VanDerWaalsContact C-N 3.3Å; P149-V151 PolarHBondContact O-N 3.32Å
150D95.9Very high95.1Very high90 Ų9052.7 Ų52.748%0.48129%0.288SS..THydrogen-bonded Turntrans59.133.4170.3-157.443.5000115.5G110 Q111 K152G110-D150 VanDerWaalsContact CA-OD2 3.3Å; G110-D150 WeakPolarHBondContact CA-OD2 3.36Å; Q111-D150 PolarHBondContact N-O 3.45Å; D150-K152 PolarHBondContact O-N 3.33Å; D150-K152 WeakPolarHBondContact OD1-CE 3.4Å; D150-K152 IonicContact OD1-NZ 2.72Å; D150-K152 PolarHBondContact OD1-NZ 3.36Å
151V98.2Very high95.3Very high11 Ų1158.9 Ų58.97%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-74.4123.9170.2178.40000109.7Q111 F113 V132 A148 P149 A153 Y173Q111-V151 HydrophobicContact CB-CG2 4.38Å; Q111-V151 CarbonylContact O-C 3.57Å; Q111-V151 WeakPolarHBondContact O-CA 3.34Å; F113-V151 HydrophobicContact CB-CG1 3.93Å; V132-V151 HydrophobicContact CG2-CG2 3.57Å; A148-V151 HydrophobicContact CB-CG2 4.13Å; P149-V151 VanDerWaalsContact C-N 3.3Å; P149-V151 PolarHBondContact O-N 3.32Å; V151-A153 WeakPolarHBondContact CG1-O 3.46Å; V151-Y173 HydrophobicContact CB-CD1 3.73Å; V151-Y173 HydrophobicContact CB-CE1 3.96Å; V151-Y173 HydrophobicContact CB-CG 4.15Å; V151-Y173 HydrophobicContact CG1-CD1 4.01Å; V151-Y173 HydrophobicContact CG1-CD2 4.23Å; V151-Y173 HydrophobicContact CG1-CE1 4.47Å; V151-Y173 HydrophobicContact CG1-CG 3.89Å; V151-Y173 HydrophobicContact CG2-CD1 3.84Å; V151-Y173 HydrophobicContact CG2-CE1 3.51Å; V151-Y173 HydrophobicContact CG2-CE2 4.39Å; V151-Y173 HydrophobicContact CG2-CG 4.41Å
152K98.5Very high95.4Very high74 Ų7458.6 Ų58.632%0.32231%0.307SS..EExtended strand (participates in β ladder)trans-109.7-15.1-178.4-60.3-54.2-178.6-1570114.2V108 R109 Q111 D150 C179 L180V108-K152 HydrophobicContact CG2-CB 3.66Å; V108-K152 HydrophobicContact CG2-CG 4.26Å; R109-K152 WeakPolarHBondContact O-CE 3.33Å; R109-K152 WeakPolarHBondContact O-CG 3.26Å; Q111-K152 PolarHBondContact O-N 3.28Å; D150-K152 PolarHBondContact O-N 3.33Å; D150-K152 WeakPolarHBondContact OD1-CE 3.4Å; D150-K152 IonicContact OD1-NZ 2.72Å; D150-K152 PolarHBondContact OD1-NZ 3.36Å; K152-C179 CarbonylContact O-C 3.48Å; K152-C179 WeakPolarHBondContact O-CA 3.36Å; K152-L180 PolarHBondContact O-N 3.34Å
153A98.8Very high95.4Very high0 Ų058.9 Ų58.90%031%0.312CS..EExtended strand (participates in β ladder)trans-148.8144.617700000110.9L102 V112 F113 V151 L180L102-A153 HydrophobicContact CD2-CB 4.06Å; V112-A153 CarbonylContact C-O 3.34Å; V112-A153 WeakPolarHBondContact CA-O 3.47Å; V112-A153 HydrophobicContact CG1-CB 4.23Å; V112-A153 HydrophobicContact CG2-CB 4.22Å; F113-A153 PolarHBondContact N-O 2.98Å; V151-A153 WeakPolarHBondContact CG1-O 3.46Å; A153-L180 CarbonylContact C-O 3.53Å; A153-L180 WeakPolarHBondContact CA-O 3.36Å; A153-L180 HydrophobicContact CB-CB 3.88Å
154V98.8Very high95.5Very high0 Ų055.9 Ų55.90%030%0.303CS..EExtended strand (participates in β ladder)trans-103.1121.4159.4175.60000107.4F113 V156 A170 Y173 L174 L180 L182 L208F113-V154 HydrophobicContact CB-CG2 4.35Å; F113-V154 HydrophobicContact CD1-CG1 4.37Å; F113-V154 HydrophobicContact CD1-CG2 4.43Å; F113-V154 WeakPolarHBondContact O-CA 3.48Å; V154-V156 HydrophobicContact CG1-CG2 4.14Å; V154-A170 HydrophobicContact CG1-CB 3.88Å; V154-A170 HydrophobicContact CG2-CB 4.39Å; V154-Y173 HydrophobicContact CG2-CD2 4.41Å; V154-L174 HydrophobicContact CB-CD1 4.47Å; V154-L174 HydrophobicContact CB-CD2 4.02Å; V154-L174 HydrophobicContact CB-CG 4.2Å; V154-L174 HydrophobicContact CG2-CD1 4.49Å; V154-L174 HydrophobicContact CG2-CD2 3.95Å; V154-L174 HydrophobicContact CG2-CG 3.85Å; V154-L180 PolarHBondContact N-O 3.46Å; V154-L182 PolarHBondContact O-N 2.86Å; V154-L208 HydrophobicContact CG1-CD1 4.34Å
155L98.8Very high95.8Very high0 Ų052.4 Ų52.40%028%0.284CS..EExtended strand (participates in β ladder)trans-112.9120.5175.5179.563.3000109.7L102 V112 F113 V114 I115 L120 L124 L182 T184L102-L155 HydrophobicContact CD1-CD2 4.33Å; V112-L155 HydrophobicContact CG1-CB 3.85Å; F113-L155 PolarHBondContact O-N 3.48Å; V114-L155 WeakPolarHBondContact CA-O 3.38Å; I115-L155 PolarHBondContact N-O 3.44Å; L120-L155 HydrophobicContact CD1-CD2 3.88Å; L120-L155 HydrophobicContact CD2-CD2 4.12Å; L120-L155 HydrophobicContact CD2-CG 4.26Å; L120-L155 HydrophobicContact CG-CD2 4.23Å; L124-L155 HydrophobicContact CD1-CD2 4.04Å; L124-L155 HydrophobicContact CD2-CD2 4.29Å; L155-L182 WeakPolarHBondContact CA-O 3.26Å; L155-L182 HydrophobicContact CD1-CB 3.59Å; L155-T184 HydrophobicContact CD1-CG2 4.17Å; L155-T184 HydrophobicContact CG-CG2 4.43Å
156V98.6Very high96.1Very high0 Ų052.2 Ų52.20%028%0.281CS..EExtended strand (participates in β ladder)trans-106.3122.6-179.6-171.30000109.8I115 V154 F181 L182 A183 T184 L204 T205 L208I115-V156 HydrophobicContact CB-CG1 4.42Å; I115-V156 HydrophobicContact CG2-CG1 4.39Å; V154-V156 HydrophobicContact CG1-CG2 4.14Å; V156-F181 HydrophobicContact CG2-CE2 3.85Å; V156-L182 PolarHBondContact N-O 2.8Å; V156-A183 CarbonylContact O-C 3.59Å; V156-A183 VanDerWaalsContact O-CA 3.25Å; V156-A183 WeakPolarHBondContact O-CA 3.38Å; V156-T184 PolarHBondContact O-N 2.64Å; V156-L204 HydrophobicContact CG1-CB 3.94Å; V156-T205 WeakPolarHBondContact CG1-OG1 3.37Å; V156-L208 HydrophobicContact CG2-CD1 3.6Å
157G98Very high96.3Very high0 Ų049.9 Ų49.90%026%0.258CS..  trans-130.6-157.8167.600000111.3I115 D159 T184 L204I115-G157 PolarHBondContact O-N 2.99Å; G157-D159 PolarHBondContact O-N 2.81Å; G157-T184 WeakPolarHBondContact CA-OG1 3.19Å; G157-L204 WeakPolarHBondContact O-CD2 3.47Å
158H96.6Very high96.5Very high37 Ų3746.9 Ų46.917%0.17125%0.245CC..  trans-70.7123.4177.3-175.689.2000110.1S67 T68 G116 C117 S201S67-H158 PolarHBondContact OG-N 3.46Å; T68-H158 HydrophobicContact CG2-CB 3.88Å; T68-H158 VanDerWaalsContact CG2-CD2 3.44Å; T68-H158 WeakPolarHBondContact CG2-CD2 3.12Å; G116-H158 CarbonylContact C-O 3.45Å; G116-H158 VanDerWaalsContact CA-O 3.23Å; G116-H158 WeakPolarHBondContact CA-O 3.3Å; C117-H158 PolarHBondContact N-O 2.94Å; C117-H158 PolarHBondContact SG-O 3.48Å; H158-S201 PolarHBondContact N-OG 3.33Å; H158-S201 VanDerWaalsContact N-OG 3.15Å
159D96.2Very high96.6Very high10 Ų1046 Ų465%0.05324%0.237CC..  trans-134103177.3-167.7-14.3000109.9I115 G116 G157 K161 L162 K166 L204I115-D159 HydrophobicContact CG2-CB 3.8Å; G116-D159 PolarHBondContact N-OD2 3.41Å; G157-D159 PolarHBondContact O-N 2.81Å; D159-K161 PolarHBondContact O-N 3.39Å; D159-K161 WeakPolarHBondContact OD1-CA 3.42Å; D159-K161 PolarHBondContact OD1-N 3.47Å; D159-L162 HydrophobicContact CB-CB 4.45Å; D159-L162 PolarHBondContact O-N 3.06Å; D159-L162 PolarHBondContact OD1-N 2.84Å; D159-K166 IonicContact OD1-NZ 2.83Å; D159-K166 WeakPolarHBondContact OD2-CD 3.49Å; D159-K166 IonicContact OD2-NZ 2.64Å; D159-K166 PolarHBondContact OD2-NZ 2.92Å; D159-L204 HydrophobicContact CB-CD2 3.95Å
160D92.5Very high96.8Very high117 Ų11741.1 Ų41.163%0.62621%0.205SC*.THydrogen-bonded Turntrans-73.6-8.2175.866.4-26.2000113
161K93.7Very high96.8Very high152 Ų15238 Ų3866%0.66119%0.19SC*.THydrogen-bonded Turntrans-115.726.4177.4-60.8176.3-172.9174.50111.7D159 T163D159-K161 PolarHBondContact O-N 3.39Å; D159-K161 WeakPolarHBondContact OD1-CA 3.42Å; D159-K161 PolarHBondContact OD1-N 3.47Å; K161-T163 PolarHBondContact O-N 3.29Å
162L94.8Very high96.8Very high60 Ų6040.4 Ų40.431%0.31421%0.207SC..  trans-54.1131.4175.5-175.776.7000110.6I115 D159 L167 L204I115-L162 HydrophobicContact CD1-CD1 4.44Å; I115-L162 HydrophobicContact CG2-CD1 3.52Å; D159-L162 HydrophobicContact CB-CB 4.45Å; D159-L162 PolarHBondContact O-N 3.06Å; D159-L162 PolarHBondContact OD1-N 2.84Å; L162-L167 HydrophobicContact CD1-CD2 4.03Å; L162-L167 HydrophobicContact CD1-CG 4.16Å; L162-L167 HydrophobicContact CD2-CD1 4.34Å; L162-L204 HydrophobicContact CD1-CD2 4.47Å; L162-L204 HydrophobicContact CD1-CG 4.42Å; L162-L204 HydrophobicContact CD2-CD1 4.43Å; L162-L204 HydrophobicContact CD2-CG 3.91Å
163T95Very high96.8Very high67 Ų6737.8 Ų37.841%0.41120%0.195SC..  trans-122.7156.4172.268.60000110.6K161 L165 K166 L167K161-T163 PolarHBondContact O-N 3.29Å; T163-L165 PolarHBondContact O-N 3.08Å; T163-L165 PolarHBondContact OG1-N 3.31Å; T163-K166 PolarHBondContact O-N 3.12Å; T163-K166 VanDerWaalsContact O-N 3.15Å; T163-K166 PolarHBondContact OG1-N 3.46Å; T163-K166 VanDerWaalsContact OG1-N 3.09Å; T163-L167 PolarHBondContact O-N 3.3Å
164F95.5Very high96.8Very high145 Ų14538.1 Ų38.164%0.63620%0.197SC*.Hα-helixtrans-60.8-27.8171.3-166.8-98000111.7I142 L167 A168I142-F164 HydrophobicContact CD1-CD1 4.19Å; I142-F164 HydrophobicContact CD1-CE1 3.75Å; I142-F164 HydrophobicContact CG2-CD1 3.65Å; I142-F164 HydrophobicContact CG2-CE1 4.03Å; F164-L167 HydrophobicContact CD2-CD1 4.46Å; F164-L167 PolarHBondContact O-N 3.46Å; F164-A168 WeakPolarHBondContact O-CB 3.4Å; F164-A168 PolarHBondContact O-N 2.95Å
165L95.8Very high96.7Very high31 Ų3147.7 Ų47.716%0.16223%0.233CC..Hα-helixtrans-64-45.2173.3178.859.9000112.2D136 A140 I142 C145 T163 L167 A168 K169D136-L165 HydrophobicContact CB-CD2 4.5Å; A140-L165 HydrophobicContact CB-CD2 4.33Å; I142-L165 HydrophobicContact CG2-CD1 4.32Å; C145-L165 HydrophobicContact CB-CD1 3.6Å; T163-L165 PolarHBondContact O-N 3.08Å; T163-L165 PolarHBondContact OG1-N 3.31Å; L165-L167 VanDerWaalsContact C-N 3.31Å; L165-L167 PolarHBondContact O-N 3.23Å; L165-A168 PolarHBondContact O-N 3.46Å; L165-K169 HydrophobicContact CD1-CD 4.29Å; L165-K169 HydrophobicContact CD1-CG 4.32Å; L165-K169 HydrophobicContact CG-CD 4.3Å; L165-K169 WeakPolarHBondContact O-CG 3.45Å; L165-K169 PolarHBondContact O-N 3.16Å
166K96.6Very high96.7Very high19 Ų1951.2 Ų51.28%0.08325%0.252CS..Hα-helixtrans-58.1-44.1173.4-75.6-177.8168.7-169.20111.4I115 E134 D159 T163 K169 A170I115-K166 HydrophobicContact CD1-CB 4.38Å; I115-K166 HydrophobicContact CG1-CB 4.39Å; E134-K166 WeakPolarHBondContact OE1-CE 3.42Å; E134-K166 IonicContact OE1-NZ 2.83Å; E134-K166 PolarHBondContact OE1-NZ 2.97Å; E134-K166 IonicContact OE2-NZ 3.54Å; D159-K166 IonicContact OD1-NZ 2.83Å; D159-K166 WeakPolarHBondContact OD2-CD 3.49Å; D159-K166 IonicContact OD2-NZ 2.64Å; D159-K166 PolarHBondContact OD2-NZ 2.92Å; T163-K166 PolarHBondContact O-N 3.12Å; T163-K166 VanDerWaalsContact O-N 3.15Å; T163-K166 PolarHBondContact OG1-N 3.46Å; T163-K166 VanDerWaalsContact OG1-N 3.09Å; K166-K169 PolarHBondContact O-N 3.28Å; K166-A170 WeakPolarHBondContact O-CB 3.37Å; K166-A170 PolarHBondContact O-N 3.24Å
167L97.1Very high96.6Very high26 Ų2655.8 Ų55.814%0.13628%0.281CS..Hα-helixtrans-62.8-41.9176.4-66.2175.4000112.3I115 L162 T163 F164 L165 S171 A207 L208I115-L167 HydrophobicContact CD1-CD2 4.3Å; L162-L167 HydrophobicContact CD1-CD2 4.03Å; L162-L167 HydrophobicContact CD1-CG 4.16Å; L162-L167 HydrophobicContact CD2-CD1 4.34Å; T163-L167 PolarHBondContact O-N 3.3Å; F164-L167 HydrophobicContact CD2-CD1 4.46Å; F164-L167 PolarHBondContact O-N 3.46Å; L165-L167 VanDerWaalsContact C-N 3.31Å; L165-L167 PolarHBondContact O-N 3.23Å; L167-S171 WeakPolarHBondContact O-CB 3.45Å; L167-S171 PolarHBondContact O-N 3.35Å; L167-S171 PolarHBondContact O-OG 2.92Å; L167-A207 HydrophobicContact CD2-CB 4.48Å; L167-L208 HydrophobicContact CB-CD2 4.45Å; L167-L208 HydrophobicContact CD2-CD1 4.29Å; L167-L208 HydrophobicContact CD2-CD2 3.94Å; L167-L208 HydrophobicContact CD2-CG 3.7Å; L167-L208 WeakPolarHBondContact O-CD2 3.45Å
168A96.9Very high96.6Very high18 Ų1863.1 Ų63.115%0.14932%0.316CS..Hα-helixtrans-63.2-48.3177.300000111.4I142 F164 L165 S171 C172I142-A168 HydrophobicContact CB-CB 4.08Å; I142-A168 HydrophobicContact CG2-CB 3.72Å; F164-A168 WeakPolarHBondContact O-CB 3.4Å; F164-A168 PolarHBondContact O-N 2.95Å; L165-A168 PolarHBondContact O-N 3.46Å; A168-S171 WeakPolarHBondContact O-CB 3.32Å; A168-S171 PolarHBondContact O-N 2.93Å; A168-C172 PolarHBondContact O-N 2.75Å; A168-C172 PolarHBondContact O-SG 2.84Å; A168-C172 VanDerWaalsContact O-SG 3.33Å
169K97.7Very high96.7Very high6 Ų661.4 Ų61.43%0.02631%0.308CS..Hα-helixtrans-59.5-49.4177-71175.968.7171.20111.5F113 D136 C145 L147 L165 K166 S171 C172 Y173F113-K169 HydrophobicContact CE1-CB 4.37Å; F113-K169 HydrophobicContact CE2-CB 4.28Å; F113-K169 HydrophobicContact CZ-CB 3.88Å; D136-K169 IonicContact OD1-NZ 3.64Å; D136-K169 PolarHBondContact OD1-NZ 2.79Å; D136-K169 IonicContact OD2-NZ 2.71Å; D136-K169 PolarHBondContact OD2-NZ 2.97Å; C145-K169 HydrophobicContact CB-CD 4.46Å; C145-K169 HydrophobicContact CB-CG 4.48Å; L147-K169 HydrophobicContact CD2-CB 4.13Å; L147-K169 HydrophobicContact CD2-CG 4.01Å; L165-K169 HydrophobicContact CD1-CD 4.29Å; L165-K169 HydrophobicContact CD1-CG 4.32Å; L165-K169 HydrophobicContact CG-CD 4.3Å; L165-K169 WeakPolarHBondContact O-CG 3.45Å; L165-K169 PolarHBondContact O-N 3.16Å; K166-K169 PolarHBondContact O-N 3.28Å; K169-S171 VanDerWaalsContact C-N 3.31Å; K169-S171 PolarHBondContact O-N 3.26Å; K169-C172 WeakPolarHBondContact O-CB 3.28Å; K169-C172 PolarHBondContact O-N 2.94Å; K169-C172 VanDerWaalsContact O-N 3.13Å; K169-Y173 HydrophobicContact CB-CE2 4.13Å; K169-Y173 WeakPolarHBondContact O-CD2 3.49Å; K169-Y173 PolarHBondContact O-N 2.87Å
170A98Very high96.8Very high0 Ų063.4 Ų63.40%032%0.318CS..Hα-helixtrans-56.2-44.8174.400000112.3F113 I115 V154 K166 C172 Y173 L174 L208F113-A170 HydrophobicContact CD1-CB 3.96Å; F113-A170 HydrophobicContact CE1-CB 3.78Å; I115-A170 HydrophobicContact CD1-CB 3.9Å; V154-A170 HydrophobicContact CG1-CB 3.88Å; V154-A170 HydrophobicContact CG2-CB 4.39Å; K166-A170 WeakPolarHBondContact O-CB 3.37Å; K166-A170 PolarHBondContact O-N 3.24Å; A170-C172 VanDerWaalsContact C-N 3.29Å; A170-C172 PolarHBondContact O-N 3.47Å; A170-Y173 PolarHBondContact O-N 3.11Å; A170-L174 WeakPolarHBondContact O-CB 3.35Å; A170-L174 VanDerWaalsContact O-CG 3.29Å; A170-L174 WeakPolarHBondContact O-CG 3.27Å; A170-L174 PolarHBondContact O-N 3.37Å; A170-L208 HydrophobicContact CB-CD1 3.72Å; A170-L208 HydrophobicContact CB-CD2 3.67Å; A170-L208 HydrophobicContact CB-CG 4.38Å
171S97.8Very high97.1Very high25 Ų2558.1 Ų58.118%0.17529%0.289CS..Hα-helixtrans-61-38.8177.3-59.20000112L167 A168 K169 L174 R175L167-S171 WeakPolarHBondContact O-CB 3.45Å; L167-S171 PolarHBondContact O-N 3.35Å; L167-S171 PolarHBondContact O-OG 2.92Å; A168-S171 WeakPolarHBondContact O-CB 3.32Å; A168-S171 PolarHBondContact O-N 2.93Å; K169-S171 VanDerWaalsContact C-N 3.31Å; K169-S171 PolarHBondContact O-N 3.26Å; S171-L174 PolarHBondContact O-N 3.33Å; S171-R175 PolarHBondContact O-N 3.38Å
172C97.5Very high97.4Very high62 Ų6250.9 Ų50.942%0.41926%0.258SS..Hα-helixtrans-64.1-46.3174.3-68.50000112.3L147 A168 K169 A170 L174 R175L147-C172 HydrophobicContact CD1-CB 3.58Å; L147-C172 HydrophobicContact CD2-CB 3.98Å; L147-C172 HydrophobicContact CG-CB 4.44Å; A168-C172 PolarHBondContact O-N 2.75Å; A168-C172 PolarHBondContact O-SG 2.84Å; A168-C172 VanDerWaalsContact O-SG 3.33Å; K169-C172 WeakPolarHBondContact O-CB 3.28Å; K169-C172 PolarHBondContact O-N 2.94Å; K169-C172 VanDerWaalsContact O-N 3.13Å; A170-C172 VanDerWaalsContact C-N 3.29Å; A170-C172 PolarHBondContact O-N 3.47Å; C172-L174 VanDerWaalsContact C-N 3.29Å; C172-L174 PolarHBondContact O-N 3.12Å; C172-R175 VanDerWaalsContact O-CB 3.3Å; C172-R175 WeakPolarHBondContact O-CB 3.45Å; C172-R175 PolarHBondContact O-N 2.91Å
173Y98.4Very high97.6Very high19 Ų1948 Ų488%0.07524%0.243CC..Hα-helixtrans-62.1-38.4176.8-62-53.8000112.1F113 L147 A148 V151 V154 K169 A170 R175 D176 C179F113-Y173 HydrophobicContact CB-CD2 3.79Å; F113-Y173 HydrophobicContact CB-CE2 3.82Å; F113-Y173 AromaticContact CD1-CD2 3.99Å; F113-Y173 HydrophobicContact CD1-CD2 3.99Å; F113-Y173 HydrophobicContact CD1-CE2 4.07Å; F113-Y173 HydrophobicContact CD2-CD2 4.17Å; F113-Y173 AromaticContact CD2-CE2 3.47Å; F113-Y173 HydrophobicContact CD2-CE2 3.47Å; F113-Y173 VanDerWaalsContact CD2-CE2 3.47Å; F113-Y173 HydrophobicContact CE2-CE2 4.01Å; F113-Y173 AromaticContact CG-CD2 3.71Å; F113-Y173 HydrophobicContact CG-CD2 3.71Å; F113-Y173 AromaticContact CG-CE2 3.49Å; F113-Y173 HydrophobicContact CG-CE2 3.49Å; F113-Y173 VanDerWaalsContact CG-CE2 3.49Å; L147-Y173 HydrophobicContact CB-CE1 3.84Å; L147-Y173 HydrophobicContact CD2-CE1 3.99Å; L147-Y173 HydrophobicContact CD2-CE2 4.32Å; L147-Y173 HydrophobicContact CG-CE1 4.38Å; A148-Y173 PolarHBondContact N-OH 2.81Å; A148-Y173 WeakPolarHBondContact O-CE1 3.38Å; V151-Y173 HydrophobicContact CB-CD1 3.73Å; V151-Y173 HydrophobicContact CB-CE1 3.96Å; V151-Y173 HydrophobicContact CB-CG 4.15Å; V151-Y173 HydrophobicContact CG1-CD1 4.01Å; V151-Y173 HydrophobicContact CG1-CD2 4.23Å; V151-Y173 HydrophobicContact CG1-CE1 4.47Å; V151-Y173 HydrophobicContact CG1-CG 3.89Å; V151-Y173 HydrophobicContact CG2-CD1 3.84Å; V151-Y173 HydrophobicContact CG2-CE1 3.51Å; V151-Y173 HydrophobicContact CG2-CE2 4.39Å; V151-Y173 HydrophobicContact CG2-CG 4.41Å; V154-Y173 HydrophobicContact CG2-CD2 4.41Å; K169-Y173 HydrophobicContact CB-CE2 4.13Å; K169-Y173 WeakPolarHBondContact O-CD2 3.49Å; K169-Y173 PolarHBondContact O-N 2.87Å; A170-Y173 PolarHBondContact O-N 3.11Å; Y173-R175 PolarHBondContact O-N 3.49Å; Y173-D176 PolarHBondContact O-N 3.38Å; Y173-C179 WeakPolarHBondContact O-CB 3.09Å
174L98.6Very high97.7Very high6 Ų644.9 Ų44.93%0.03122%0.224CC..THydrogen-bonded Turntrans-72.1-6.3-179.9-70.6175.6000114.5V154 A170 S171 C172 D176 F181 R214V154-L174 HydrophobicContact CB-CD1 4.47Å; V154-L174 HydrophobicContact CB-CD2 4.02Å; V154-L174 HydrophobicContact CB-CG 4.2Å; V154-L174 HydrophobicContact CG2-CD1 4.49Å; V154-L174 HydrophobicContact CG2-CD2 3.95Å; V154-L174 HydrophobicContact CG2-CG 3.85Å; A170-L174 WeakPolarHBondContact O-CB 3.35Å; A170-L174 VanDerWaalsContact O-CG 3.29Å; A170-L174 WeakPolarHBondContact O-CG 3.27Å; A170-L174 PolarHBondContact O-N 3.37Å; S171-L174 PolarHBondContact O-N 3.33Å; C172-L174 VanDerWaalsContact C-N 3.29Å; C172-L174 PolarHBondContact O-N 3.12Å; L174-D176 VanDerWaalsContact C-N 3.25Å; L174-F181 HydrophobicContact CD1-CD1 4.08Å; L174-F181 HydrophobicContact CD1-CD2 3.98Å; L174-F181 HydrophobicContact CD1-CE1 4.23Å; L174-F181 HydrophobicContact CD1-CE2 4.17Å; L174-F181 HydrophobicContact CD1-CG 3.96Å; L174-F181 HydrophobicContact CD1-CZ 4.3Å; L174-F181 HydrophobicContact CD2-CB 3.62Å; L174-F181 HydrophobicContact CD2-CD2 4.29Å; L174-F181 HydrophobicContact CD2-CG 3.91Å; L174-R214 WeakPolarHBondContact O-CD 3.38Å; L174-R214 PolarHBondContact O-NH1 3.14Å
175R97.8Very high97.8Very high202 Ų20238 Ų3876%0.76219%0.193SC*.THydrogen-bonded Turntrans-66.4-29.2169.5-68-60.5-57.9-179.60.6112.4S171 C172 Y173 P177S171-R175 PolarHBondContact O-N 3.38Å; C172-R175 VanDerWaalsContact O-CB 3.3Å; C172-R175 WeakPolarHBondContact O-CB 3.45Å; C172-R175 PolarHBondContact O-N 2.91Å; Y173-R175 PolarHBondContact O-N 3.49Å; R175-P177 WeakPolarHBondContact O-CD 3.44Å
176D97.9Very high97.8Very high74 Ų7440 Ų4040%0.39620%0.204SC..SBendtrans-72116.2168.8-175.9-9.1000108.3Y173 L174 E178 C179 R214Y173-D176 PolarHBondContact O-N 3.38Å; L174-D176 VanDerWaalsContact C-N 3.25Å; D176-E178 PolarHBondContact O-N 2.87Å; D176-E178 WeakPolarHBondContact OD1-CB 3.43Å; D176-E178 PolarHBondContact OD1-N 2.66Å; D176-C179 HydrophobicContact CB-CB 4.03Å; D176-C179 WeakPolarHBondContact O-CB 3.29Å; D176-C179 PolarHBondContact O-N 2.95Å; D176-C179 VanDerWaalsContact O-N 3.14Å; D176-R214 PolarHBondContact O-NH1 3.48Å; D176-R214 VanDerWaalsContact O-NH1 3.15Å
177P97.3Very high97.8Very high96 Ų9639.6 Ų39.662%0.62320%0.203SC*.THydrogen-bonded Turntrans-62.2-25.3179.726.7-35.2000113R175 R214R175-P177 WeakPolarHBondContact O-CD 3.44Å; P177-R214 PolarHBondContact O-NH2 3.12Å
178E97.6Very high97.7Very high154 Ų15441.4 Ų41.472%0.7222%0.217SC*.THydrogen-bonded Turntrans-82.1-15.8179.4-58.2-58.8127.400112.5D176 L180D176-E178 PolarHBondContact O-N 2.87Å; D176-E178 WeakPolarHBondContact OD1-CB 3.43Å; D176-E178 PolarHBondContact OD1-N 2.66Å; E178-L180 PolarHBondContact O-N 3.16Å
179C98.6Very high97.6Very high0 Ų045 Ų450%023%0.226CC..SBendtrans-68.9124.1172.4-175.80000109.2K152 Y173 D176 R214K152-C179 CarbonylContact O-C 3.48Å; K152-C179 WeakPolarHBondContact O-CA 3.36Å; Y173-C179 WeakPolarHBondContact O-CB 3.09Å; D176-C179 HydrophobicContact CB-CB 4.03Å; D176-C179 WeakPolarHBondContact O-CB 3.29Å; D176-C179 PolarHBondContact O-N 2.95Å; D176-C179 VanDerWaalsContact O-N 3.14Å; C179-R214 PolarHBondContact O-NH1 2.83Å; C179-R214 PolarHBondContact O-NH2 2.71Å
180L98.8Very high97.3Very high53 Ų5347.4 Ų47.428%0.27724%0.238SC..EExtended strand (participates in β ladder)trans-70.8143.7-179.9-62.3175.3000111V106 K152 A153 V154 E178 L182V106-L180 HydrophobicContact CB-CD1 4.26Å; V106-L180 HydrophobicContact CG1-CD1 3.48Å; V106-L180 VanDerWaalsContact CG1-CD1 3.48Å; V106-L180 HydrophobicContact CG2-CD1 3.71Å; K152-L180 PolarHBondContact O-N 3.34Å; A153-L180 CarbonylContact C-O 3.53Å; A153-L180 WeakPolarHBondContact CA-O 3.36Å; A153-L180 HydrophobicContact CB-CB 3.88Å; V154-L180 PolarHBondContact N-O 3.46Å; E178-L180 PolarHBondContact O-N 3.16Å; L180-L182 HydrophobicContact CB-CD2 4.31Å; L180-L182 HydrophobicContact CB-CG 4.21Å
181F98.8Very high97Very high5 Ų551 Ų512%0.02226%0.261CS..EExtended strand (participates in β ladder)trans-114108.4171.5-171.8-168.5000109.2V156 L174 T205 L208 E209 R214 A216 T217V156-F181 HydrophobicContact CG2-CE2 3.85Å; L174-F181 HydrophobicContact CD1-CD1 4.08Å; L174-F181 HydrophobicContact CD1-CD2 3.98Å; L174-F181 HydrophobicContact CD1-CE1 4.23Å; L174-F181 HydrophobicContact CD1-CE2 4.17Å; L174-F181 HydrophobicContact CD1-CG 3.96Å; L174-F181 HydrophobicContact CD1-CZ 4.3Å; L174-F181 HydrophobicContact CD2-CB 3.62Å; L174-F181 HydrophobicContact CD2-CD2 4.29Å; L174-F181 HydrophobicContact CD2-CG 3.91Å; F181-T205 HydrophobicContact CZ-CG2 4.32Å; F181-L208 HydrophobicContact CE2-CB 4.17Å; F181-L208 HydrophobicContact CE2-CD1 4.42Å; F181-L208 HydrophobicContact CZ-CB 3.63Å; F181-E209 HydrophobicContact CE1-CB 4.37Å; F181-E209 HydrophobicContact CE1-CG 3.67Å; F181-E209 HydrophobicContact CZ-CG 3.9Å; F181-R214 HydrophobicContact CD1-CB 3.87Å; F181-R214 HydrophobicContact CE1-CB 4.47Å; F181-R214 WeakPolarHBondContact CE1-O 3.44Å; F181-A216 HydrophobicContact CD1-CB 4.03Å; F181-A216 HydrophobicContact CD2-CB 3.88Å; F181-A216 HydrophobicContact CE1-CB 3.96Å; F181-A216 HydrophobicContact CE2-CB 3.77Å; F181-A216 HydrophobicContact CG-CB 3.99Å; F181-A216 HydrophobicContact CZ-CB 3.82Å; F181-A216 CarbonylContact O-C 3.52Å; F181-A216 WeakPolarHBondContact O-CA 3.43Å; F181-T217 PolarHBondContact O-N 2.6Å
182L98.8Very high96.4Very high1 Ų153.1 Ų53.11%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-120.7147.6-174.2-52.9-179.7000110.4Y101 L102 V154 L155 V156 L180 T217 I219Y101-L182 HydrophobicContact CD1-CD1 4.02Å; Y101-L182 HydrophobicContact CD1-CD2 4.41Å; Y101-L182 HydrophobicContact CE1-CD1 4.15Å; Y101-L182 HydrophobicContact CE1-CD2 3.85Å; L102-L182 HydrophobicContact CD1-CD1 4.37Å; L102-L182 HydrophobicContact CD2-CD1 3.68Å; L102-L182 HydrophobicContact CG-CD1 3.98Å; V154-L182 PolarHBondContact O-N 2.86Å; L155-L182 WeakPolarHBondContact CA-O 3.26Å; L155-L182 HydrophobicContact CD1-CB 3.59Å; V156-L182 PolarHBondContact N-O 2.8Å; L180-L182 HydrophobicContact CB-CD2 4.31Å; L180-L182 HydrophobicContact CB-CG 4.21Å; L182-T217 WeakPolarHBondContact CA-O 3.37Å; L182-I219 HydrophobicContact CD2-CD1 4.48Å
183A98.6Very high95.7Very high0 Ų054.6 Ų54.60%028%0.281CS..EExtended strand (participates in β ladder)trans-128.5137.2171.300000110.1V156 D185 T205 A216 T217 V218 I219V156-A183 CarbonylContact O-C 3.59Å; V156-A183 VanDerWaalsContact O-CA 3.25Å; V156-A183 WeakPolarHBondContact O-CA 3.38Å; A183-D185 PolarHBondContact O-N 2.91Å; A183-T205 HydrophobicContact CB-CG2 3.81Å; A183-A216 HydrophobicContact CB-CB 3.93Å; A183-T217 PolarHBondContact N-O 2.87Å; A183-V218 WeakPolarHBondContact O-CA 3.41Å; A183-I219 PolarHBondContact O-N 2.83Å
184T98.4Very high95.1Very high0 Ų057.6 Ų57.60%032%0.317CS..SBendtrans-61.8-39.3176.858.30000110.6S67 S94 L120 L155 V156 G157 G220S67-T184 PolarHBondContact OG-OG1 2.85Å; S94-T184 VanDerWaalsContact CB-O 3.27Å; S94-T184 WeakPolarHBondContact CB-O 3.41Å; L120-T184 HydrophobicContact CD1-CG2 3.87Å; L120-T184 HydrophobicContact CD2-CG2 3.89Å; L155-T184 HydrophobicContact CD1-CG2 4.17Å; L155-T184 HydrophobicContact CG-CG2 4.43Å; V156-T184 PolarHBondContact O-N 2.64Å; G157-T184 WeakPolarHBondContact CA-OG1 3.19Å; T184-G220 WeakPolarHBondContact O-CA 3.27Å; T184-G220 PolarHBondContact O-N 2.81Å
185D97.6Very high94.5Very high0 Ų061 Ų610%035%0.354CS..  trans-161.9167-178.56595.4000109.3N65 A183 D187 S201N65-D185 HydrophobicContact CB-CB 3.75Å; N65-D185 WeakPolarHBondContact ND2-CB 3.32Å; A183-D185 PolarHBondContact O-N 2.91Å; D185-D187 WeakPolarHBondContact OD1-CB 3.46Å; D185-D187 PolarHBondContact OD1-N 2.86Å; D185-D187 VanDerWaalsContact OD1-N 3.08Å; D185-S201 WeakPolarHBondContact OD1-CB 3.41Å; D185-S201 PolarHBondContact OD1-OG 3.31Å; D185-S201 WeakPolarHBondContact OD2-CB 3.42Å; D185-S201 PolarHBondContact OD2-OG 2.92Å
186N95.4Very high94.2Very high73 Ų7358.8 Ų58.839%0.3935%0.346SS..  trans-114.322.2176.767.2-29.2000112.9P188 V218 P222N186-P188 WeakPolarHBondContact O-CD 3.18Å; N186-V218 HydrophobicContact CB-CG1 4.43Å; N186-V218 HydrophobicContact CB-CG2 4.03Å; N186-P222 WeakPolarHBondContact OD1-CD 3.47Å
187D95.4Very high94Very high12 Ų1260.4 Ų60.46%0.06435%0.354CS..  trans-63.3123.9179.7-71.5-23.1000109.2D185 H190 G200 S201 G202 R248 T251D185-D187 WeakPolarHBondContact OD1-CB 3.46Å; D185-D187 PolarHBondContact OD1-N 2.86Å; D185-D187 VanDerWaalsContact OD1-N 3.08Å; D187-H190 IonicContact OD2-CE1 2.79Å; D187-G200 CarbonylContact O-C 3.58Å; D187-G200 VanDerWaalsContact O-C 3.27Å; D187-G200 VanDerWaalsContact O-CA 3.3Å; D187-G200 WeakPolarHBondContact O-CA 3.34Å; D187-S201 PolarHBondContact O-N 2.74Å; D187-G202 WeakPolarHBondContact O-CA 3.19Å; D187-G202 PolarHBondContact O-N 2.98Å; D187-R248 IonicContact OD1-NH1 3.6Å; D187-T251 PolarHBondContact OD1-OG1 3.37Å
188P95.4Very high93.8Very high64 Ų6459.3 Ų59.342%0.41634%0.342SS..  trans-74.3-31.8-172.626.9-35.1000112.5N186 G200N186-P188 WeakPolarHBondContact O-CD 3.18Å; P188-G200 PolarHBondContact O-N 3.19Å
189W95.4Very high93.7Very high92 Ų9255.9 Ų55.935%0.34833%0.333SS..EExtended strand (participates in β ladder)trans-161.7162.6-176.360.2-93.1000111.1P191 I197 L198 R248 V270W189-P191 HydrophobicContact CZ3-CB 4.21Å; W189-I197 HydrophobicContact CE3-CB 4.24Å; W189-I197 HydrophobicContact CE3-CG2 3.81Å; W189-I197 HydrophobicContact CZ3-CG2 4.1Å; W189-L198 CarbonylContact C-O 3.42Å; W189-L198 WeakPolarHBondContact CA-O 3.18Å; W189-L198 VanDerWaalsContact CB-O 3.28Å; W189-L198 WeakPolarHBondContact CB-O 3.49Å; W189-R248 PolarHBondContact O-NH1 3.48Å; W189-V270 HydrophobicContact CH2-CG1 3.94Å; W189-V270 HydrophobicContact CZ2-CG1 4.29Å
190H91.7Very high93.5Very high57 Ų5755.9 Ų55.926%0.26433%0.333SS..EExtended strand (participates in β ladder)trans-128.1143.3175.3-54.5-71.7000111.5D187 I197 L198D187-H190 IonicContact OD2-CE1 2.79Å; H190-I197 CarbonylContact O-C 3.56Å; H190-I197 WeakPolarHBondContact O-CA 3.33Å; H190-L198 PolarHBondContact N-O 2.71Å; H190-L198 PolarHBondContact O-N 3.23Å
191P90.3Very high93.4Very high75 Ų7553.4 Ų53.449%0.48732%0.32SS..EExtended strand (participates in β ladder)trans-73.8148.7178.229.8-34.1000112.4W189 V270W189-P191 HydrophobicContact CZ3-CB 4.21Å; P191-V270 HydrophobicContact CG-CG2 4.21Å
192L87.2Confident93.3Very high71 Ų7153.8 Ų53.837%0.37233%0.326SS..EExtended strand (participates in β ladder)trans-126.5165169.3-76.2-175.5000111.3R196 L198L192-R196 HydrophobicContact CB-CB 3.99Å; L192-R196 PolarHBondContact N-O 3.38Å; L192-L198 HydrophobicContact CD1-CD1 3.74Å; L192-L198 HydrophobicContact CD1-CD2 3.69Å; L192-L198 HydrophobicContact CD1-CG 3.42Å; L192-L198 VanDerWaalsContact CD1-CG 3.42Å; L192-L198 HydrophobicContact CD2-CD1 3.87Å; L192-L198 HydrophobicContact CD2-CG 4.3Å; L192-L198 HydrophobicContact CG-CD1 3.89Å; L192-L198 HydrophobicContact CG-CG 3.74Å
193S81.9Confident93.3Very high92 Ų9255.8 Ų55.864%0.64334%0.34SS*.THydrogen-bonded Turntrans-57.1142.6173.962.10000112.6R196S193-R196 PolarHBondContact O-NE 3.24Å
194G85.4Confident93.2Very high82 Ų8256.6 Ų56.685%0.84534%0.344SS*.THydrogen-bonded Turntrans76.425.2179.300000114.5R196G194-R196 VanDerWaalsContact C-N 3.26Å; G194-R196 PolarHBondContact O-N 3.11Å
195G86.3Confident93.2Very high78 Ų7856.8 Ų56.880%0.80435%0.345SS*.THydrogen-bonded Turntrans73.815.2177.300000114.3
196R91.6Very high93.2Very high155 Ų15559 Ų5959%0.58536%0.363SS*.EExtended strand (participates in β ladder)trans-83.6160175.2-66.6-177.7-65.6167.31.3110.1L192 S193 G194L192-R196 HydrophobicContact CB-CB 3.99Å; L192-R196 PolarHBondContact N-O 3.38Å; S193-R196 PolarHBondContact O-NE 3.24Å; G194-R196 VanDerWaalsContact C-N 3.26Å; G194-R196 PolarHBondContact O-N 3.11Å
197I93.7Very high93.4Very high109 Ų10957.6 Ų57.656%0.55936%0.362SS*.EExtended strand (participates in β ladder)trans-128.2155174.164.5170.1000110.6W189 H190W189-I197 HydrophobicContact CE3-CB 4.24Å; W189-I197 HydrophobicContact CE3-CG2 3.81Å; W189-I197 HydrophobicContact CZ3-CG2 4.1Å; H190-I197 CarbonylContact O-C 3.56Å; H190-I197 WeakPolarHBondContact O-CA 3.33Å
198L92.7Very high93.5Very high73 Ų7357 Ų5738%0.38236%0.359SS..EExtended strand (participates in β ladder)trans-113.5146.6166.9-67.9175000110.3W189 H190 L192 G200W189-L198 CarbonylContact C-O 3.42Å; W189-L198 WeakPolarHBondContact CA-O 3.18Å; W189-L198 VanDerWaalsContact CB-O 3.28Å; W189-L198 WeakPolarHBondContact CB-O 3.49Å; H190-L198 PolarHBondContact N-O 2.71Å; H190-L198 PolarHBondContact O-N 3.23Å; L192-L198 HydrophobicContact CD1-CD1 3.74Å; L192-L198 HydrophobicContact CD1-CD2 3.69Å; L192-L198 HydrophobicContact CD1-CG 3.42Å; L192-L198 VanDerWaalsContact CD1-CG 3.42Å; L192-L198 HydrophobicContact CD2-CD1 3.87Å; L192-L198 HydrophobicContact CD2-CG 4.3Å; L192-L198 HydrophobicContact CG-CD1 3.89Å; L192-L198 HydrophobicContact CG-CG 3.74Å; L198-G200 PolarHBondContact O-N 3.41Å
199P95.1Very high93.6Very high82 Ų8255.8 Ų55.853%0.53235%0.347SS..EExtended strand (participates in β ladder)trans-57.8135.8165.8-18.631.1000110.9S203P199-S203 VanDerWaalsContact CB-OG 3.3Å; P199-S203 WeakPolarHBondContact CB-OG 3.19Å
200G95.2Very high93.8Very high0 Ų057.4 Ų57.40%037%0.367CS..  trans-95.3172.6173.700000111.9D187 P188 L198 G202 S203D187-G200 CarbonylContact O-C 3.58Å; D187-G200 VanDerWaalsContact O-C 3.27Å; D187-G200 VanDerWaalsContact O-CA 3.3Å; D187-G200 WeakPolarHBondContact O-CA 3.34Å; P188-G200 PolarHBondContact O-N 3.19Å; L198-G200 PolarHBondContact O-N 3.41Å; G200-G202 PolarHBondContact O-N 3.26Å; G200-G202 VanDerWaalsContact O-N 3.14Å; G200-S203 WeakPolarHBondContact O-CB 3.43Å; G200-S203 PolarHBondContact O-N 3Å; G200-S203 PolarHBondContact O-OG 3.4Å
201S96.6Very high94.1Very high1 Ų157.7 Ų57.71%0.00738%0.38CS..Hα-helixtrans-56.7-30.7-179.5-46.10000112.6H158 D185 D187 S203 L204 T205H158-S201 PolarHBondContact N-OG 3.33Å; H158-S201 VanDerWaalsContact N-OG 3.15Å; D185-S201 WeakPolarHBondContact OD1-CB 3.41Å; D185-S201 PolarHBondContact OD1-OG 3.31Å; D185-S201 WeakPolarHBondContact OD2-CB 3.42Å; D185-S201 PolarHBondContact OD2-OG 2.92Å; D187-S201 PolarHBondContact O-N 2.74Å; S201-S203 VanDerWaalsContact C-N 3.28Å; S201-S203 PolarHBondContact O-N 3.28Å; S201-L204 PolarHBondContact O-N 3.16Å; S201-T205 WeakPolarHBondContact O-CB 3.2Å; S201-T205 PolarHBondContact O-N 3.34Å; S201-T205 PolarHBondContact O-OG1 3.36Å
202G97.3Very high94.4Very high13 Ų1355.2 Ų55.213%0.13436%0.364CS..Hα-helixtrans-61.3-34.1176.300000113.2D187 G200 A206D187-G202 WeakPolarHBondContact O-CA 3.19Å; D187-G202 PolarHBondContact O-N 2.98Å; G200-G202 PolarHBondContact O-N 3.26Å; G200-G202 VanDerWaalsContact O-N 3.14Å; G202-A206 VanDerWaalsContact O-CB 3.3Å; G202-A206 WeakPolarHBondContact O-CB 3.29Å; G202-A206 PolarHBondContact O-N 3.16Å
203S97.3Very high94.9Very high43 Ų4355.1 Ų55.130%0.30138%0.38SS..Hα-helixtrans-69.4-38.9176.770.60000112.5P199 G200 S201 A207P199-S203 VanDerWaalsContact CB-OG 3.3Å; P199-S203 WeakPolarHBondContact CB-OG 3.19Å; G200-S203 WeakPolarHBondContact O-CB 3.43Å; G200-S203 PolarHBondContact O-N 3Å; G200-S203 PolarHBondContact O-OG 3.4Å; S201-S203 VanDerWaalsContact C-N 3.28Å; S201-S203 PolarHBondContact O-N 3.28Å; S203-A207 PolarHBondContact O-N 3.29Å
204L97.6Very high95.7Very high16 Ų1654 Ų548%0.08436%0.362CS..Hα-helixtrans-67.3-45.7175.6-80.653.7000110.2V156 G157 D159 L162 S201 A206 A207 L208V156-L204 HydrophobicContact CG1-CB 3.94Å; G157-L204 WeakPolarHBondContact O-CD2 3.47Å; D159-L204 HydrophobicContact CB-CD2 3.95Å; L162-L204 HydrophobicContact CD1-CD2 4.47Å; L162-L204 HydrophobicContact CD1-CG 4.42Å; L162-L204 HydrophobicContact CD2-CD1 4.43Å; L162-L204 HydrophobicContact CD2-CG 3.91Å; S201-L204 PolarHBondContact O-N 3.16Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A206 PolarHBondContact O-N 3.32Å; L204-A207 WeakPolarHBondContact O-CB 3.49Å; L204-A207 PolarHBondContact O-N 3.21Å; L204-L208 PolarHBondContact O-N 3.24Å
205T98.2Very high96.3Very high5 Ų557.7 Ų57.73%0.03135%0.354CS..Hα-helixtrans-58.6-46.8176.5-59.60000110.5V156 F181 A183 S201 A207 L208 E209 A216V156-T205 WeakPolarHBondContact CG1-OG1 3.37Å; F181-T205 HydrophobicContact CZ-CG2 4.32Å; A183-T205 HydrophobicContact CB-CG2 3.81Å; S201-T205 WeakPolarHBondContact O-CB 3.2Å; S201-T205 PolarHBondContact O-N 3.34Å; S201-T205 PolarHBondContact O-OG1 3.36Å; T205-A207 VanDerWaalsContact C-N 3.29Å; T205-A207 PolarHBondContact O-N 3.07Å; T205-L208 CarbonylContact O-C 3.59Å; T205-L208 PolarHBondContact O-N 3.36Å; T205-E209 HydrophobicContact CG2-CG 4.14Å; T205-E209 WeakPolarHBondContact O-CG 3.49Å; T205-E209 PolarHBondContact O-N 3.06Å; T205-A216 HydrophobicContact CG2-CB 3.56Å
206A98.4Very high96.9Very high45 Ų4554.6 Ų54.637%0.37232%0.322SS..Hα-helixtrans-58-39179.100000112.9G202 L204 L208 E209 V210G202-A206 VanDerWaalsContact O-CB 3.3Å; G202-A206 WeakPolarHBondContact O-CB 3.29Å; G202-A206 PolarHBondContact O-N 3.16Å; L204-A206 VanDerWaalsContact C-N 3.34Å; L204-A206 PolarHBondContact O-N 3.32Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 2.82Å; A206-E209 PolarHBondContact O-N 2.66Å; A206-V210 WeakPolarHBondContact O-CG2 3.48Å; A206-V210 PolarHBondContact O-N 2.79Å
207A98.1Very high97.2Very high44 Ų4450.6 Ų50.636%0.36431%0.314SS..Hα-helixtrans-60.1-42.4175.600000111.9L167 S203 L204 T205 A211L167-A207 HydrophobicContact CD2-CB 4.48Å; S203-A207 PolarHBondContact O-N 3.29Å; L204-A207 WeakPolarHBondContact O-CB 3.49Å; L204-A207 PolarHBondContact O-N 3.21Å; T205-A207 VanDerWaalsContact C-N 3.29Å; T205-A207 PolarHBondContact O-N 3.07Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 2.92Å
208L98.1Very high97.4Very high1 Ų147 Ų471%0.00530%0.298CS..Hα-helixtrans-74.3-34.1176.4-81.3177.5000113.7I115 V154 V156 L167 A170 F181 L204 T205 A206 V210 A211 S212I115-L208 HydrophobicContact CD1-CD1 3.58Å; V154-L208 HydrophobicContact CG1-CD1 4.34Å; V156-L208 HydrophobicContact CG2-CD1 3.6Å; L167-L208 HydrophobicContact CB-CD2 4.45Å; L167-L208 HydrophobicContact CD2-CD1 4.29Å; L167-L208 HydrophobicContact CD2-CD2 3.94Å; L167-L208 HydrophobicContact CD2-CG 3.7Å; L167-L208 WeakPolarHBondContact O-CD2 3.45Å; A170-L208 HydrophobicContact CB-CD1 3.72Å; A170-L208 HydrophobicContact CB-CD2 3.67Å; A170-L208 HydrophobicContact CB-CG 4.38Å; F181-L208 HydrophobicContact CE2-CB 4.17Å; F181-L208 HydrophobicContact CE2-CD1 4.42Å; F181-L208 HydrophobicContact CZ-CB 3.63Å; L204-L208 PolarHBondContact O-N 3.24Å; T205-L208 CarbonylContact O-C 3.59Å; T205-L208 PolarHBondContact O-N 3.36Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 2.82Å; L208-V210 VanDerWaalsContact C-N 3.28Å; L208-V210 PolarHBondContact O-N 2.97Å; L208-A211 PolarHBondContact O-N 3.2Å; L208-S212 VanDerWaalsContact O-CB 3.25Å; L208-S212 WeakPolarHBondContact O-CB 3.49Å; L208-S212 PolarHBondContact O-N 3.13Å; L208-S212 PolarHBondContact O-OG 2.96Å
209E98.6Very high97.7Very high38 Ų3843.6 Ų43.618%0.17828%0.28CS..Hα-helixtrans-60.2-43173.8-69.1-167.6145.700111.2F181 T205 A206 G213 R214 K215 A216F181-E209 HydrophobicContact CE1-CB 4.37Å; F181-E209 HydrophobicContact CE1-CG 3.67Å; F181-E209 HydrophobicContact CZ-CG 3.9Å; T205-E209 HydrophobicContact CG2-CG 4.14Å; T205-E209 WeakPolarHBondContact O-CG 3.49Å; T205-E209 PolarHBondContact O-N 3.06Å; A206-E209 PolarHBondContact O-N 2.66Å; E209-G213 WeakPolarHBondContact O-CA 3.38Å; E209-G213 PolarHBondContact O-N 3.15Å; E209-R214 WeakPolarHBondContact CA-O 2.93Å; E209-R214 WeakPolarHBondContact CB-O 3.33Å; E209-R214 WeakPolarHBondContact CG-O 3.48Å; E209-R214 PolarHBondContact O-N 3.24Å; E209-K215 VanDerWaalsContact CD-CD 3.43Å; E209-K215 HydrophobicContact CG-CD 4.33Å; E209-K215 WeakPolarHBondContact OE1-CD 3.26Å; E209-K215 IonicContact OE1-NZ 3.39Å; E209-K215 WeakPolarHBondContact OE2-CD 3.44Å; E209-K215 IonicContact OE2-NZ 3.67Å; E209-K215 PolarHBondContact OE2-NZ 2.75Å; E209-A216 PolarHBondContact OE1-N 3.34Å
210V98.4Very high97.8Very high125 Ų12539.7 Ų39.776%0.75825%0.254SS*.Hα-helixtrans-65.7-48.1175.4173.30000111A206 L208A206-V210 WeakPolarHBondContact O-CG2 3.48Å; A206-V210 PolarHBondContact O-N 2.79Å; L208-V210 VanDerWaalsContact C-N 3.28Å; L208-V210 PolarHBondContact O-N 2.97Å
211A97.3Very high98Very high64 Ų6439.8 Ų39.853%0.52926%0.255SS..Hα-helixtrans-67.8-38.7-17600000113.4A207 L208A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 2.92Å; L208-A211 PolarHBondContact O-N 3.2Å
212S97.4Very high98Very high23 Ų2340.5 Ų40.516%0.16126%0.26CS..Hα-helixtrans-87.2-20.9-178.967.20000113.6L208 R214L208-S212 VanDerWaalsContact O-CB 3.25Å; L208-S212 WeakPolarHBondContact O-CB 3.49Å; L208-S212 PolarHBondContact O-N 3.13Å; L208-S212 PolarHBondContact O-OG 2.96Å; S212-R214 PolarHBondContact O-N 3.43Å; S212-R214 PolarHBondContact OG-N 3.15Å
213G97.8Very high98Very high69 Ų6941.5 Ų41.571%0.71127%0.265SS*.SBendtrans69.514.6-170.600000113.8E209E209-G213 WeakPolarHBondContact O-CA 3.38Å; E209-G213 PolarHBondContact O-N 3.15Å
214R98.3Very high98Very high67 Ų6746.2 Ų46.225%0.25328%0.276SS..  trans-112.3156.7-179.6-63.3-177.163.5-171.4-4110.7L174 D176 P177 C179 F181 E209 S212L174-R214 WeakPolarHBondContact O-CD 3.38Å; L174-R214 PolarHBondContact O-NH1 3.14Å; D176-R214 PolarHBondContact O-NH1 3.48Å; D176-R214 VanDerWaalsContact O-NH1 3.15Å; P177-R214 PolarHBondContact O-NH2 3.12Å; C179-R214 PolarHBondContact O-NH1 2.83Å; C179-R214 PolarHBondContact O-NH2 2.71Å; F181-R214 HydrophobicContact CD1-CB 3.87Å; F181-R214 HydrophobicContact CE1-CB 4.47Å; F181-R214 WeakPolarHBondContact CE1-O 3.44Å; E209-R214 WeakPolarHBondContact CA-O 2.93Å; E209-R214 WeakPolarHBondContact CB-O 3.33Å; E209-R214 WeakPolarHBondContact CG-O 3.48Å; E209-R214 PolarHBondContact O-N 3.24Å; S212-R214 PolarHBondContact O-N 3.43Å; S212-R214 PolarHBondContact OG-N 3.15Å
215K98.3Very high98Very high160 Ų16046.6 Ų46.670%0.69628%0.277SS*.PPolyproline II helixtrans-99.9135.2172.7-72.4-62.6-173.7175.10110.8E209E209-K215 VanDerWaalsContact CD-CD 3.43Å; E209-K215 HydrophobicContact CG-CD 4.33Å; E209-K215 WeakPolarHBondContact OE1-CD 3.26Å; E209-K215 IonicContact OE1-NZ 3.39Å; E209-K215 WeakPolarHBondContact OE2-CD 3.44Å; E209-K215 IonicContact OE2-NZ 3.67Å; E209-K215 PolarHBondContact OE2-NZ 2.75Å
216A98.5Very high97.9Very high14 Ų1446.4 Ų46.412%0.11628%0.275CS..PPolyproline II helixtrans-76.5143.1177.100000110.2F181 A183 T205 E209F181-A216 HydrophobicContact CD1-CB 4.03Å; F181-A216 HydrophobicContact CD2-CB 3.88Å; F181-A216 HydrophobicContact CE1-CB 3.96Å; F181-A216 HydrophobicContact CE2-CB 3.77Å; F181-A216 HydrophobicContact CG-CB 3.99Å; F181-A216 HydrophobicContact CZ-CB 3.82Å; F181-A216 CarbonylContact O-C 3.52Å; F181-A216 WeakPolarHBondContact O-CA 3.43Å; A183-A216 HydrophobicContact CB-CB 3.93Å; T205-A216 HydrophobicContact CG2-CB 3.56Å; E209-A216 PolarHBondContact OE1-N 3.34Å
217T98.5Very high97.8Very high70 Ų7045 Ų4543%0.42926%0.261SS..EExtended strand (participates in β ladder)trans-82.3116.7165.8-56.20000108.3F181 L182 A183 I219F181-T217 PolarHBondContact O-N 2.6Å; L182-T217 WeakPolarHBondContact CA-O 3.37Å; A183-T217 PolarHBondContact N-O 2.87Å; T217-I219 HydrophobicContact CG2-CD1 4.44Å
218V98.4Very high97.7Very high35 Ų3547.9 Ų47.921%0.21227%0.267CS..EExtended strand (participates in β ladder)trans-82.5128.3179.6-177.90000109.8A183 N186 S223A183-V218 WeakPolarHBondContact O-CA 3.41Å; N186-V218 HydrophobicContact CB-CG1 4.43Å; N186-V218 HydrophobicContact CB-CG2 4.03Å; V218-S223 VanDerWaalsContact O-CB 3.28Å; V218-S223 WeakPolarHBondContact O-CB 3.45Å; V218-S223 PolarHBondContact O-OG 3.41Å
219I98.3Very high97.6Very high1 Ų148.1 Ų48.11%0.00527%0.269CS..  trans-93.8-45.6-175.8-57.5-54.8000112.4C97 Y101 L182 A183 T217 S223 F225C97-I219 HydrophobicContact CB-CG2 3.91Å; Y101-I219 HydrophobicContact CD1-CD1 3.75Å; Y101-I219 HydrophobicContact CD2-CD1 4.11Å; Y101-I219 HydrophobicContact CE1-CD1 4.1Å; Y101-I219 HydrophobicContact CE2-CD1 4.45Å; Y101-I219 HydrophobicContact CG-CD1 3.75Å; L182-I219 HydrophobicContact CD2-CD1 4.48Å; A183-I219 PolarHBondContact O-N 2.83Å; T217-I219 HydrophobicContact CG2-CD1 4.44Å; I219-S223 WeakPolarHBondContact O-CB 3.34Å; I219-F225 HydrophobicContact CG2-CD1 3.69Å; I219-F225 HydrophobicContact CG2-CE1 4.05Å
220G97.7Very high97.5Very high0 Ų046.3 Ų46.30%026%0.26CS..SBendtrans-74.7-174.2179.700000113.2N65 T184 S223N65-G220 WeakPolarHBondContact OD1-CA 3.48Å; T184-G220 WeakPolarHBondContact O-CA 3.27Å; T184-G220 PolarHBondContact O-N 2.81Å; G220-S223 WeakPolarHBondContact O-CA 3.47Å; G220-S223 WeakPolarHBondContact O-CB 3.48Å; G220-S223 PolarHBondContact O-N 2.81Å
221K98.1Very high97.3Very high1 Ų142.1 Ų42.10%0.00424%0.236CC..THydrogen-bonded Turntrans-54.6135.5176.4-61.2177.3-69.7-178.60109.2D31 V63 N65 M226 M244 T251 D252 F255D31-K221 VanDerWaalsContact CG-NZ 3.27Å; D31-K221 IonicContact OD1-NZ 3.77Å; D31-K221 PolarHBondContact OD1-NZ 3.32Å; V63-K221 HydrophobicContact CG1-CD 3.79Å; V63-K221 HydrophobicContact CG1-CG 4.08Å; V63-K221 WeakPolarHBondContact O-CE 3.37Å; V63-K221 PolarHBondContact O-NZ 2.9Å; N65-K221 PolarHBondContact ND2-O 2.9Å; N65-K221 PolarHBondContact OD1-N 3.15Å; K221-M226 HydrophobicContact CD-SD 4.48Å; K221-M226 HydrophobicContact CG-SD 3.71Å; K221-M244 HydrophobicContact CD-CE 3.91Å; K221-T251 HydrophobicContact CB-CG2 3.47Å; K221-T251 VanDerWaalsContact CB-CG2 3.47Å; K221-T251 HydrophobicContact CD-CG2 4.5Å; K221-D252 WeakPolarHBondContact CD-OD1 3.33Å; K221-D252 WeakPolarHBondContact CE-OD1 3.43Å; K221-D252 IonicContact NZ-OD1 3.72Å; K221-D252 PolarHBondContact NZ-OD1 3.14Å; K221-F255 HydrophobicContact CB-CB 4.04Å; K221-F255 HydrophobicContact CB-CD2 4.35Å; K221-F255 HydrophobicContact CB-CG 4.21Å; K221-F255 HydrophobicContact CD-CB 4.34Å; K221-F255 HydrophobicContact CD-CD1 4.02Å; K221-F255 HydrophobicContact CD-CG 4.13Å; K221-F255 HydrophobicContact CG-CB 4Å; K221-F255 HydrophobicContact CG-CD1 4Å; K221-F255 HydrophobicContact CG-CD2 3.86Å; K221-F255 HydrophobicContact CG-CE1 4.43Å; K221-F255 HydrophobicContact CG-CE2 4.3Å; K221-F255 HydrophobicContact CG-CG 3.68Å
222P97.1Very high97Very high17 Ų1743 Ų4311%0.1124%0.239CC..THydrogen-bonded Turncis-91.815.912.136.9-37.6000116.1N186 L254 F255 N258N186-P222 WeakPolarHBondContact OD1-CD 3.47Å; P222-L254 HydrophobicContact CB-CB 3.95Å; P222-L254 HydrophobicContact CB-CD2 3.7Å; P222-L254 HydrophobicContact CB-CG 3.72Å; P222-L254 HydrophobicContact CG-CD2 3.69Å; P222-L254 HydrophobicContact CG-CG 4.3Å; P222-F255 HydrophobicContact CB-CB 4.43Å; P222-N258 PolarHBondContact O-ND2 3.15Å
223S97.4Very high96.6Very high34 Ų3446.9 Ų46.924%0.23825%0.254CS..  trans-65.4136.5180-172.70000112.4V218 I219 G220 F225 M226 F255V218-S223 VanDerWaalsContact O-CB 3.28Å; V218-S223 WeakPolarHBondContact O-CB 3.45Å; V218-S223 PolarHBondContact O-OG 3.41Å; I219-S223 WeakPolarHBondContact O-CB 3.34Å; G220-S223 WeakPolarHBondContact O-CA 3.47Å; G220-S223 WeakPolarHBondContact O-CB 3.48Å; G220-S223 PolarHBondContact O-N 2.81Å; S223-F225 PolarHBondContact O-N 3.27Å; S223-F225 PolarHBondContact OG-N 3.47Å; S223-M226 PolarHBondContact O-N 3.17Å; S223-F255 WeakPolarHBondContact O-CD2 3.3Å; S223-F255 WeakPolarHBondContact O-CE2 3.48Å
224R97Very high96.1Very high142 Ų14245.3 Ų45.354%0.53623%0.228SC..Hα-helixtrans-62.8-23.2175.3-66.1-178.570.1136.3-0.5112.7M226 F227 E228 N258R224-M226 PolarHBondContact O-N 2.74Å; R224-F227 WeakPolarHBondContact O-CA 3.4Å; R224-F227 WeakPolarHBondContact O-CB 3.48Å; R224-F227 PolarHBondContact O-N 3.17Å; R224-E228 PolarHBondContact O-N 2.99Å; R224-N258 WeakPolarHBondContact CD-O 3.38Å; R224-N258 HydrophobicContact CG-CB 3.96Å; R224-N258 WeakPolarHBondContact CG-O 3.3Å; R224-N258 PolarHBondContact NE-O 3.27Å; R224-N258 PolarHBondContact NH1-O 3.17Å
225F97.4Very high95.2Very high24 Ų2448 Ų4811%0.10526%0.257CS..Hα-helixtrans-58.4-34.2-177-178.3-99.7000112.9C97 Y101 V105 I219 S223 F227 E228 C229C97-F225 HydrophobicContact CB-CE1 4.36Å; C97-F225 WeakPolarHBondContact O-CE1 3.12Å; Y101-F225 HydrophobicContact CD2-CD1 4.18Å; Y101-F225 AromaticContact CD2-CD2 3.94Å; Y101-F225 HydrophobicContact CD2-CD2 3.94Å; Y101-F225 AromaticContact CD2-CE1 3.9Å; Y101-F225 HydrophobicContact CD2-CE1 3.9Å; Y101-F225 AromaticContact CD2-CE2 3.69Å; Y101-F225 HydrophobicContact CD2-CE2 3.69Å; Y101-F225 HydrophobicContact CD2-CG 4.18Å; Y101-F225 AromaticContact CD2-CZ 3.65Å; Y101-F225 HydrophobicContact CD2-CZ 3.65Å; Y101-F225 HydrophobicContact CG-CE1 4.18Å; Y101-F225 HydrophobicContact CG-CZ 4.14Å; V105-F225 HydrophobicContact CG2-CE2 3.57Å; V105-F225 HydrophobicContact CG2-CZ 4.01Å; I219-F225 HydrophobicContact CG2-CD1 3.69Å; I219-F225 HydrophobicContact CG2-CE1 4.05Å; S223-F225 PolarHBondContact O-N 3.27Å; S223-F225 PolarHBondContact OG-N 3.47Å; F225-F227 VanDerWaalsContact C-N 3.32Å; F225-F227 PolarHBondContact O-N 3.17Å; F225-E228 WeakPolarHBondContact O-CB 3.41Å; F225-E228 PolarHBondContact O-N 2.87Å; F225-C229 WeakPolarHBondContact CE1-SG 3.39Å; F225-C229 WeakPolarHBondContact CZ-SG 3.39Å; F225-C229 PolarHBondContact O-N 2.76Å; F225-C229 PolarHBondContact O-SG 3.08Å
226M97Very high94.3Very high0 Ų044.1 Ų44.10%026%0.262CS..Hα-helixtrans-64.6-36.7175.3-174.4165.6-90.300112.1V63 S94 C97 K221 S223 R224 C229 I230 F255V63-M226 HydrophobicContact CG1-CG 3.73Å; V63-M226 HydrophobicContact CG1-SD 3.21Å; V63-M226 WeakPolarHBondContact CG1-SD 3.44Å; S94-M226 VanDerWaalsContact CA-CE 3.48Å; C97-M226 HydrophobicContact CB-CE 4.16Å; K221-M226 HydrophobicContact CD-SD 4.48Å; K221-M226 HydrophobicContact CG-SD 3.71Å; S223-M226 PolarHBondContact O-N 3.17Å; R224-M226 PolarHBondContact O-N 2.74Å; M226-C229 WeakPolarHBondContact O-CB 3.45Å; M226-C229 PolarHBondContact O-N 3.41Å; M226-I230 WeakPolarHBondContact O-CG1 3.35Å; M226-I230 PolarHBondContact O-N 2.86Å; M226-F255 HydrophobicContact CB-CE2 4.03Å; M226-F255 HydrophobicContact CB-CZ 4.41Å
227F97.1Very high94Very high15 Ų1544.6 Ų44.67%0.06626%0.263CS..Hα-helixtrans-71.7-32.5173-173.2-106.5000112.6L29 R224 F225 C229 I230 S231 I237 P239 F255 C259 L261L29-F227 HydrophobicContact CD2-CD2 3.92Å; L29-F227 HydrophobicContact CD2-CE2 4.15Å; R224-F227 WeakPolarHBondContact O-CA 3.4Å; R224-F227 WeakPolarHBondContact O-CB 3.48Å; R224-F227 PolarHBondContact O-N 3.17Å; F225-F227 VanDerWaalsContact C-N 3.32Å; F225-F227 PolarHBondContact O-N 3.17Å; F227-C229 VanDerWaalsContact C-N 3.34Å; F227-I230 PolarHBondContact O-N 2.91Å; F227-S231 VanDerWaalsContact CE1-OG 3.31Å; F227-S231 WeakPolarHBondContact CE1-OG 3.27Å; F227-S231 WeakPolarHBondContact O-CB 3.39Å; F227-S231 PolarHBondContact O-N 3.47Å; F227-S231 PolarHBondContact O-OG 3.22Å; F227-I237 HydrophobicContact CE2-CD1 3.92Å; F227-I237 HydrophobicContact CZ-CD1 3.97Å; F227-I237 HydrophobicContact CZ-CG1 4.29Å; F227-I237 HydrophobicContact CZ-CG2 4.36Å; F227-P239 HydrophobicContact CE1-CG 4.07Å; F227-P239 HydrophobicContact CZ-CG 4.27Å; F227-F255 HydrophobicContact CB-CE2 3.94Å; F227-F255 HydrophobicContact CB-CZ 3.75Å; F227-C259 HydrophobicContact CB-CB 4.16Å; F227-C259 WeakPolarHBondContact CB-SG 3.45Å; F227-C259 HydrophobicContact CD1-CB 4.08Å; F227-C259 HydrophobicContact CG-CB 3.99Å; F227-L261 HydrophobicContact CD2-CD1 4.04Å; F227-L261 HydrophobicContact CD2-CD2 4.16Å; F227-L261 HydrophobicContact CE1-CD2 4.23Å; F227-L261 HydrophobicContact CE2-CD1 4.06Å; F227-L261 HydrophobicContact CE2-CD2 3.55Å; F227-L261 HydrophobicContact CE2-CG 4.46Å; F227-L261 HydrophobicContact CZ-CD2 3.59Å
228E95.8Very high93.8Very high106 Ų10644.8 Ų44.850%0.49526%0.261SS..Hα-helixtrans-64.2-39.6172.5-66.2169.6-173.800111.3R224 F225 S231 S232R224-E228 PolarHBondContact O-N 2.99Å; F225-E228 WeakPolarHBondContact O-CB 3.41Å; F225-E228 PolarHBondContact O-N 2.87Å; E228-S231 PolarHBondContact O-N 2.77Å; E228-S232 PolarHBondContact O-N 3.41Å
229C95.6Very high93.7Very high6 Ų645 Ų454%0.04126%0.264CS..Hα-helixtrans-58.7-48.1172.2-67.40000111.3F92 L100 F225 M226 F227 S232F92-C229 HydrophobicContact CD1-CB 4.1Å; F92-C229 HydrophobicContact CE1-CB 4.24Å; L100-C229 HydrophobicContact CD1-CB 4.05Å; F225-C229 WeakPolarHBondContact CE1-SG 3.39Å; F225-C229 WeakPolarHBondContact CZ-SG 3.39Å; F225-C229 PolarHBondContact O-N 2.76Å; F225-C229 PolarHBondContact O-SG 3.08Å; M226-C229 WeakPolarHBondContact O-CB 3.45Å; M226-C229 PolarHBondContact O-N 3.41Å; F227-C229 VanDerWaalsContact C-N 3.34Å; C229-S232 PolarHBondContact O-N 3.5Å; C229-S232 PolarHBondContact O-OG 2.69Å
230I95.6Very high93.5Very high0 Ų047.9 Ų47.90%029%0.287CS..Hα-helixtrans-59.4-52.7176.6-64.3164.9000109.6L29 V61 V63 F92 M226 F227 S232 Q233 F234 I237L29-I230 HydrophobicContact CD2-CD1 3.74Å; L29-I230 HydrophobicContact CG-CD1 4.42Å; V61-I230 HydrophobicContact CG1-CD1 4.03Å; V61-I230 HydrophobicContact CG1-CG1 4.09Å; V61-I230 HydrophobicContact CG1-CG2 4.18Å; V61-I230 HydrophobicContact CG2-CG2 4.37Å; V63-I230 HydrophobicContact CG1-CD1 4.46Å; V63-I230 HydrophobicContact CG2-CD1 3.64Å; F92-I230 HydrophobicContact CB-CG1 4.26Å; F92-I230 HydrophobicContact CD1-CG1 3.73Å; F92-I230 HydrophobicContact CD2-CG1 3.77Å; F92-I230 HydrophobicContact CE1-CB 4.41Å; F92-I230 HydrophobicContact CE1-CG1 3.94Å; F92-I230 HydrophobicContact CE2-CG1 3.98Å; F92-I230 HydrophobicContact CG-CD1 4.43Å; F92-I230 HydrophobicContact CG-CG1 3.64Å; F92-I230 HydrophobicContact CZ-CB 4.38Å; F92-I230 HydrophobicContact CZ-CG1 4.06Å; M226-I230 WeakPolarHBondContact O-CG1 3.35Å; M226-I230 PolarHBondContact O-N 2.86Å; F227-I230 PolarHBondContact O-N 2.91Å; I230-S232 PolarHBondContact O-N 2.95Å; I230-S232 VanDerWaalsContact O-N 3.12Å; I230-Q233 PolarHBondContact O-N 2.9Å; I230-F234 HydrophobicContact CG2-CD2 3.76Å; I230-F234 HydrophobicContact CG2-CE2 3.94Å; I230-F234 VanDerWaalsContact O-CD2 3.24Å; I230-F234 WeakPolarHBondContact O-CD2 3.4Å; I230-F234 PolarHBondContact O-N 2.86Å; I230-I237 HydrophobicContact CG2-CD1 4.35Å
231S93.9Very high93.3Very high36 Ų3651.2 Ų51.225%0.25230%0.303SS..Hα-helixtrans-60.2-26.9-177.9-56.50000113.6F227 E228 Q233 I237F227-S231 VanDerWaalsContact CE1-OG 3.31Å; F227-S231 WeakPolarHBondContact CE1-OG 3.27Å; F227-S231 WeakPolarHBondContact O-CB 3.39Å; F227-S231 PolarHBondContact O-N 3.47Å; F227-S231 PolarHBondContact O-OG 3.22Å; E228-S231 PolarHBondContact O-N 2.77Å; S231-Q233 VanDerWaalsContact C-N 3.28Å; S231-Q233 PolarHBondContact O-N 3.14Å; S231-I237 WeakPolarHBondContact OG-CG2 3.25Å
232S92.1Very high93.3Very high83 Ų8351.2 Ų51.258%0.5830%0.303SS*.Hα-helixtrans-70-23.8174.977.80000113.7E228 C229 I230E228-S232 PolarHBondContact O-N 3.41Å; C229-S232 PolarHBondContact O-N 3.5Å; C229-S232 PolarHBondContact O-OG 2.69Å; I230-S232 PolarHBondContact O-N 2.95Å; I230-S232 VanDerWaalsContact O-N 3.12Å
233Q88Confident93.4Very high104 Ų10450.4 Ų50.449%0.48630%0.297SS..Hα-helixtrans-93.5-22.7-179.4-60.4-61.4-41.500112.6F92 I230 S231F92-Q233 HydrophobicContact CE1-CG 4.06Å; F92-Q233 HydrophobicContact CZ-CB 4.17Å; F92-Q233 HydrophobicContact CZ-CG 3.81Å; I230-Q233 PolarHBondContact O-N 2.9Å; S231-Q233 VanDerWaalsContact C-N 3.28Å; S231-Q233 PolarHBondContact O-N 3.14Å
234F87.4Confident93.4Very high36 Ų3648.8 Ų48.816%0.15829%0.286CS..SBendtrans-112.4120-179-61.5-81.2000111F27 V61 F92 I230 G236F27-F234 HydrophobicContact CE1-CB 3.92Å; F27-F234 AromaticContact CE1-CD1 3.82Å; F27-F234 HydrophobicContact CE1-CD1 3.82Å; F27-F234 HydrophobicContact CE1-CD2 4.34Å; F27-F234 HydrophobicContact CE1-CE1 4.46Å; F27-F234 AromaticContact CE1-CG 3.76Å; F27-F234 HydrophobicContact CE1-CG 3.76Å; F27-F234 HydrophobicContact CZ-CB 4.14Å; F27-F234 HydrophobicContact CZ-CD1 4.4Å; F27-F234 HydrophobicContact CZ-CG 4.4Å; V61-F234 HydrophobicContact CG2-CE2 3.7Å; V61-F234 HydrophobicContact CG2-CZ 3.77Å; F92-F234 HydrophobicContact CE2-CE2 4.17Å; F92-F234 HydrophobicContact CZ-CE2 4.31Å; I230-F234 HydrophobicContact CG2-CD2 3.76Å; I230-F234 HydrophobicContact CG2-CE2 3.94Å; I230-F234 VanDerWaalsContact O-CD2 3.24Å; I230-F234 WeakPolarHBondContact O-CD2 3.4Å; I230-F234 PolarHBondContact O-N 2.86Å; F234-G236 PolarHBondContact O-N 2.9Å
235S81Confident93.5Very high123 Ų12342 Ų4286%0.8626%0.26SS*.THydrogen-bonded Turntrans-68.7121.7179.258.30000111.7
236G79.1Confident93.6Very high79 Ų7940.9 Ų40.981%0.81426%0.255SS*.THydrogen-bonded Turntrans73.928.716800000115.3F234 D238F234-G236 PolarHBondContact O-N 2.9Å; G236-D238 PolarHBondContact O-N 3.24Å
237I91.9Very high93.6Very high24 Ų2441.2 Ų41.212%0.12326%0.258CS..  trans-59.6121.4174.8-167.7168.8000110.7F27 F227 I230 S231 C242F27-I237 HydrophobicContact CB-CD1 4.48Å; F27-I237 HydrophobicContact CD1-CD1 3.61Å; F27-I237 HydrophobicContact CD1-CG1 4.15Å; F27-I237 HydrophobicContact CD2-CD1 4.34Å; F27-I237 HydrophobicContact CD2-CG1 3.99Å; F27-I237 HydrophobicContact CE1-CD1 3.84Å; F27-I237 HydrophobicContact CE1-CG1 4.19Å; F27-I237 HydrophobicContact CE2-CB 4.49Å; F27-I237 HydrophobicContact CE2-CG1 4.03Å; F27-I237 HydrophobicContact CG-CD1 3.89Å; F27-I237 HydrophobicContact CG-CG1 4.06Å; F27-I237 HydrophobicContact CZ-CB 4.37Å; F27-I237 HydrophobicContact CZ-CD1 4.3Å; F27-I237 HydrophobicContact CZ-CG1 4.13Å; F227-I237 HydrophobicContact CE2-CD1 3.92Å; F227-I237 HydrophobicContact CZ-CD1 3.97Å; F227-I237 HydrophobicContact CZ-CG1 4.29Å; F227-I237 HydrophobicContact CZ-CG2 4.36Å; I230-I237 HydrophobicContact CG2-CD1 4.35Å; S231-I237 WeakPolarHBondContact OG-CG2 3.25Å; I237-C242 VanDerWaalsContact CG1-SG 3.52Å
238D93.9Very high93.6Very high74 Ų7441.5 Ų41.540%0.39626%0.258SS..  trans-93.8117.9170.7-178.8-1.3000108.9G236 A240 Q241 C242G236-D238 PolarHBondContact O-N 3.24Å; D238-A240 PolarHBondContact O-N 3.07Å; D238-A240 VanDerWaalsContact O-N 3.12Å; D238-A240 WeakPolarHBondContact OD1-CB 3.44Å; D238-A240 PolarHBondContact OD1-N 2.89Å; D238-Q241 HydrophobicContact CB-CB 4.37Å; D238-Q241 HydrophobicContact CB-CG 4.06Å; D238-Q241 PolarHBondContact O-N 2.93Å; D238-C242 PolarHBondContact O-SG 2.91Å
239P95.6Very high93.7Very high41 Ų4136.4 Ų36.427%0.26623%0.234SC..G310 helixtrans-50.3-35174.7-2936.4000113.6F227 Q241 C242 L261F227-P239 HydrophobicContact CE1-CG 4.07Å; F227-P239 HydrophobicContact CZ-CG 4.27Å; P239-Q241 PolarHBondContact O-N 2.83Å; P239-C242 WeakPolarHBondContact O-CB 3.27Å; P239-C242 PolarHBondContact O-N 3.5Å; P239-L261 HydrophobicContact CB-CD2 3.8Å
240A94.1Very high93.7Very high60 Ų6038.9 Ų38.950%0.49625%0.245SC..G310 helixtrans-67.9-19179.400000113.4K25 D238K25-A240 PolarHBondContact NZ-O 2.88Å; D238-A240 PolarHBondContact O-N 3.07Å; D238-A240 VanDerWaalsContact O-N 3.12Å; D238-A240 WeakPolarHBondContact OD1-CB 3.44Å; D238-A240 PolarHBondContact OD1-N 2.89Å
241Q95.2Very high93.7Very high71 Ų7139.3 Ų39.333%0.33225%0.248SC..G310 helixtrans-96.42.6174.6-60.1-167.9-65.900113.1K25 D26 F27 D238 P239K25-Q241 WeakPolarHBondContact CA-O 3.18Å; D26-Q241 HydrophobicContact CB-CB 4.47Å; D26-Q241 PolarHBondContact N-O 3.47Å; D26-Q241 PolarHBondContact OD2-NE2 3.42Å; F27-Q241 PolarHBondContact N-O 3.46Å; D238-Q241 HydrophobicContact CB-CB 4.37Å; D238-Q241 HydrophobicContact CB-CG 4.06Å; D238-Q241 PolarHBondContact O-N 2.93Å; P239-Q241 PolarHBondContact O-N 2.83Å
242C97.8Very high93.9Very high0 Ų037.7 Ų37.70%024%0.236CC..EExtended strand (participates in β ladder)trans-96.2146.7178.4-59.70000111.5F27 L29 I237 D238 P239 L261 D262F27-C242 HydrophobicContact CB-CB 4.23Å; F27-C242 CarbonylContact O-C 3.56Å; F27-C242 WeakPolarHBondContact O-CA 3.49Å; L29-C242 HydrophobicContact CD1-CB 4.42Å; I237-C242 VanDerWaalsContact CG1-SG 3.52Å; D238-C242 PolarHBondContact O-SG 2.91Å; P239-C242 WeakPolarHBondContact O-CB 3.27Å; P239-C242 PolarHBondContact O-N 3.5Å; C242-L261 HydrophobicContact CB-CB 4.18Å; C242-L261 HydrophobicContact CB-CD1 4.42Å; C242-L261 HydrophobicContact CB-CD2 3.55Å; C242-L261 HydrophobicContact CB-CG 4.22Å; C242-D262 PolarHBondContact O-N 2.93Å; C242-D262 VanDerWaalsContact O-N 3.15Å
243L98.3Very high94.1Very high0 Ų033.7 Ų33.70%021%0.209CC..EExtended strand (participates in β ladder)trans-123.9119.9168.9-177.370.4000109.1L21 K25 F27 F28 L29 V245 D262 M264 Y294L21-L243 HydrophobicContact CD1-CD1 4.47Å; L21-L243 HydrophobicContact CD2-CD1 4.32Å; L21-L243 HydrophobicContact CD2-CD2 3.67Å; L21-L243 HydrophobicContact CG-CD2 4.28Å; K25-L243 HydrophobicContact CD-CB 4.47Å; K25-L243 HydrophobicContact CG-CB 4.24Å; F27-L243 PolarHBondContact O-N 3.25Å; F28-L243 HydrophobicContact CD1-CB 4.31Å; F28-L243 HydrophobicContact CD1-CD2 3.84Å; F28-L243 HydrophobicContact CE1-CB 4.47Å; F28-L243 HydrophobicContact CE1-CD2 3.69Å; L29-L243 PolarHBondContact N-O 3.38Å; L243-V245 HydrophobicContact CD2-CG2 3.82Å; L243-V245 HydrophobicContact CG-CG2 3.95Å; L243-D262 CarbonylContact C-O 3.53Å; L243-D262 WeakPolarHBondContact CA-O 3.29Å; L243-D262 HydrophobicContact CD1-CB 3.92Å; L243-M264 HydrophobicContact CD1-CB 4.05Å; L243-M264 HydrophobicContact CD2-CB 4.45Å; L243-M264 HydrophobicContact CD2-CE 4.13Å; L243-M264 HydrophobicContact CD2-SD 4.41Å; L243-M264 HydrophobicContact CG-CB 4.38Å; L243-Y294 HydrophobicContact CD1-CD2 4.06Å; L243-Y294 HydrophobicContact CD1-CE2 4.36Å
244M98.6Very high94.6Very high0 Ų030 Ų300%019%0.192CC..EExtended strand (participates in β ladder)trans-88.9118.6168179.161.5-163.400109.6L29 D31 K221 D252 F255 L261 D262 T263 M264L29-M244 HydrophobicContact CB-SD 3.8Å; L29-M244 CarbonylContact O-C 3.57Å; L29-M244 WeakPolarHBondContact O-CA 3.31Å; D31-M244 HydrophobicContact CB-CE 4.13Å; K221-M244 HydrophobicContact CD-CE 3.91Å; M244-D252 HydrophobicContact CE-CB 3.72Å; M244-D252 WeakPolarHBondContact CE-OD1 3.35Å; M244-F255 HydrophobicContact CE-CD1 4.26Å; M244-F255 HydrophobicContact CG-CD1 3.98Å; M244-F255 HydrophobicContact SD-CD1 3.73Å; M244-F255 HydrophobicContact SD-CE1 3.92Å; M244-L261 HydrophobicContact CB-CD1 4.13Å; M244-D262 PolarHBondContact N-O 3.38Å; M244-T263 CarbonylContact O-C 3.57Å; M244-T263 WeakPolarHBondContact O-CA 3.47Å; M244-M264 PolarHBondContact O-N 3.42Å
245V98.8Very high95.1Very high0 Ų028.2 Ų28.20%018%0.184CC..EExtended strand (participates in β ladder)trans-108.5118.6177.4-171.40000108.7L29 F30 D31 V35 L243 M264 I299L29-V245 PolarHBondContact O-N 3.31Å; F30-V245 HydrophobicContact CD1-CB 3.59Å; F30-V245 HydrophobicContact CD1-CG1 3.87Å; F30-V245 HydrophobicContact CD1-CG2 4Å; F30-V245 HydrophobicContact CE1-CB 3.78Å; F30-V245 HydrophobicContact CE1-CG1 3.89Å; F30-V245 HydrophobicContact CE1-CG2 3.72Å; F30-V245 HydrophobicContact CG-CB 4.43Å; F30-V245 HydrophobicContact CZ-CG2 4.31Å; D31-V245 PolarHBondContact N-O 2.89Å; V35-V245 HydrophobicContact CG1-CG1 4.03Å; L243-V245 HydrophobicContact CD2-CG2 3.82Å; L243-V245 HydrophobicContact CG-CG2 3.95Å; V245-M264 WeakPolarHBondContact CA-O 3.19Å; V245-M264 HydrophobicContact CG1-CB 4.49Å; V245-M264 HydrophobicContact CG1-CG 4.35Å; V245-M264 HydrophobicContact CG1-SD 4.37Å; V245-M264 HydrophobicContact CG2-CB 4.25Å; V245-M264 HydrophobicContact CG2-SD 4.38Å; V245-I299 HydrophobicContact CG1-CG2 3.77Å
246G98.5Very high95.9Very high0 Ų022.4 Ų22.40%014%0.143CC..EExtended strand (participates in β ladder)trans-145.1166.2-172.500000112.8D252 M264 L265 T266G246-D252 VanDerWaalsContact CA-OD2 3.26Å; G246-D252 WeakPolarHBondContact CA-OD2 3.2Å; G246-M264 PolarHBondContact N-O 3.24Å; G246-L265 CarbonylContact O-C 3.57Å; G246-L265 WeakPolarHBondContact O-CA 3.34Å; G246-T266 WeakPolarHBondContact O-CG2 3.48Å; G246-T266 PolarHBondContact O-N 3.46Å
247D97.8Very high96.7Very high8 Ų821 Ų214%0.04312%0.121CC..SBendtrans-109.8-6.9176.575.8-49000112.9V35 D252 T266 G269 V270 S271V35-D247 HydrophobicContact CG2-CB 3.94Å; D247-D252 PolarHBondContact N-OD2 2.96Å; D247-T266 HydrophobicContact CB-CG2 4.18Å; D247-G269 WeakPolarHBondContact OD2-CA 3.47Å; D247-V270 WeakPolarHBondContact OD2-CG2 3.4Å; D247-V270 PolarHBondContact OD2-N 3.33Å; D247-S271 WeakPolarHBondContact O-CB 3.49Å; D247-S271 PolarHBondContact O-N 3.23Å
248R97.4Very high96.9Very high20 Ų2022.4 Ų22.48%0.07513%0.129CC..  trans-122.7124.5-176.7-165174.1-169.4157.417112.7D187 W189 D252 M253 V270D187-R248 IonicContact OD1-NH1 3.6Å; W189-R248 PolarHBondContact O-NH1 3.48Å; R248-D252 PolarHBondContact N-OD2 3.11Å; R248-D252 VanDerWaalsContact N-OD2 3.09Å; R248-D252 WeakPolarHBondContact O-CB 3.24Å; R248-D252 PolarHBondContact O-N 3.44Å; R248-M253 PolarHBondContact O-N 3.42Å; R248-V270 HydrophobicContact CB-CB 4.49Å; R248-V270 HydrophobicContact CG-CB 4.42Å; R248-V270 HydrophobicContact CG-CG1 4.32Å
249L96.8Very high97.1Very high0 Ų019 Ų190%011%0.111CC..Iπ-helixtrans-65-48.2-176.3-64.1165.6000112.4T251 M253 L254 L265 S271 E275 A276 Y279 Y290 P292L249-T251 PolarHBondContact O-N 3.03Å; L249-M253 HydrophobicContact CD2-CG 3.84Å; L249-M253 WeakPolarHBondContact O-CB 3.41Å; L249-M253 PolarHBondContact O-N 3.23Å; L249-L254 PolarHBondContact O-N 2.84Å; L249-L254 VanDerWaalsContact O-N 3.12Å; L249-L265 HydrophobicContact CD2-CD1 4.21Å; L249-L265 HydrophobicContact CD2-CD2 4.09Å; L249-S271 WeakPolarHBondContact CG-OG 3.2Å; L249-S271 PolarHBondContact N-OG 2.91Å; L249-S271 VanDerWaalsContact N-OG 3.08Å; L249-E275 HydrophobicContact CD1-CB 3.66Å; L249-A276 HydrophobicContact CD1-CB 4.13Å; L249-A276 HydrophobicContact CD2-CB 3.92Å; L249-Y279 HydrophobicContact CB-CD2 4.46Å; L249-Y279 HydrophobicContact CB-CE2 4.08Å; L249-Y279 HydrophobicContact CD1-CD2 3.91Å; L249-Y279 HydrophobicContact CD1-CE2 3.88Å; L249-Y290 VanDerWaalsContact CD2-O 3.27Å; L249-Y290 WeakPolarHBondContact CD2-O 3.36Å; L249-P292 HydrophobicContact CD2-CG 4.4Å
250E95.5Very high97.1Very high58 Ų5819.4 Ų19.427%0.27112%0.122SC..Iπ-helixtrans-71.7-19.6-174.5-6076.9-165.300113.4L254 Y279 Y290E250-L254 WeakPolarHBondContact O-CB 3.4Å; E250-Y279 WeakPolarHBondContact OE1-CE2 3.4Å; E250-Y279 PolarHBondContact OE1-OH 3.48Å; E250-Y290 HydrophobicContact CB-CE1 4.47Å; E250-Y290 HydrophobicContact CG-CE1 4.48Å
251T95.4Very high97.3Very high8 Ų816.8 Ų16.85%0.04910%0.1CC..Iπ-helixtrans-108-60.8-177-58.40000110.6N65 D187 K221 L249 F255N65-T251 VanDerWaalsContact ND2-CG2 3.33Å; N65-T251 WeakPolarHBondContact ND2-CG2 3.39Å; D187-T251 PolarHBondContact OD1-OG1 3.37Å; K221-T251 HydrophobicContact CB-CG2 3.47Å; K221-T251 VanDerWaalsContact CB-CG2 3.47Å; K221-T251 HydrophobicContact CD-CG2 4.5Å; L249-T251 PolarHBondContact O-N 3.03Å; T251-F255 WeakPolarHBondContact O-CB 3.41Å; T251-F255 PolarHBondContact O-N 2.92Å
252D98.3Very high97.3Very high2 Ų214.2 Ų14.21%0.0119%0.088CC..Iπ-helixtrans-82.2-45.1-171.1-57.7-47.7000113.1K221 M244 G246 D247 R248 F255 G256K221-D252 WeakPolarHBondContact CD-OD1 3.33Å; K221-D252 WeakPolarHBondContact CE-OD1 3.43Å; K221-D252 IonicContact NZ-OD1 3.72Å; K221-D252 PolarHBondContact NZ-OD1 3.14Å; M244-D252 HydrophobicContact CE-CB 3.72Å; M244-D252 WeakPolarHBondContact CE-OD1 3.35Å; G246-D252 VanDerWaalsContact CA-OD2 3.26Å; G246-D252 WeakPolarHBondContact CA-OD2 3.2Å; D247-D252 PolarHBondContact N-OD2 2.96Å; R248-D252 PolarHBondContact N-OD2 3.11Å; R248-D252 VanDerWaalsContact N-OD2 3.09Å; R248-D252 WeakPolarHBondContact O-CB 3.24Å; R248-D252 PolarHBondContact O-N 3.44Å; D252-F255 WeakPolarHBondContact O-CB 3.3Å; D252-F255 PolarHBondContact O-N 3.5Å; D252-G256 PolarHBondContact O-N 2.67Å
253M97.4Very high97.4Very high0 Ų014.4 Ų14.40%09%0.089CC..Iπ-helixtrans-70.2-42.3179.9-56.6-55.888.200109.9R248 L249 F255 G256 S257 T263 M264 L265 Y290 P292R248-M253 PolarHBondContact O-N 3.42Å; L249-M253 HydrophobicContact CD2-CG 3.84Å; L249-M253 WeakPolarHBondContact O-CB 3.41Å; L249-M253 PolarHBondContact O-N 3.23Å; M253-F255 VanDerWaalsContact C-N 3.31Å; M253-F255 PolarHBondContact O-N 3.12Å; M253-G256 PolarHBondContact O-N 3.24Å; M253-S257 WeakPolarHBondContact O-CB 3.43Å; M253-S257 PolarHBondContact O-N 3.46Å; M253-T263 HydrophobicContact SD-CG2 4.35Å; M253-M264 WeakPolarHBondContact CE-O 3.42Å; M253-L265 HydrophobicContact SD-CB 4.24Å; M253-Y290 WeakPolarHBondContact CB-O 3.3Å; M253-P292 HydrophobicContact CG-CB 4.17Å; M253-P292 HydrophobicContact SD-CB 3.62Å
254L96.9Very high97.4Very high25 Ų2514.4 Ų14.413%0.1319%0.089CC..Hα-helixtrans-60.8-40.1172.1-175.561000111.8P222 L249 E250 S257 N258 Y290P222-L254 HydrophobicContact CB-CB 3.95Å; P222-L254 HydrophobicContact CB-CD2 3.7Å; P222-L254 HydrophobicContact CB-CG 3.72Å; P222-L254 HydrophobicContact CG-CD2 3.69Å; P222-L254 HydrophobicContact CG-CG 4.3Å; L249-L254 PolarHBondContact O-N 2.84Å; L249-L254 VanDerWaalsContact O-N 3.12Å; E250-L254 WeakPolarHBondContact O-CB 3.4Å; L254-S257 PolarHBondContact O-N 3.21Å; L254-N258 WeakPolarHBondContact O-CB 3.4Å; L254-N258 PolarHBondContact O-N 2.92Å; L254-N258 PolarHBondContact O-ND2 3.12Å; L254-Y290 HydrophobicContact CB-CD1 3.92Å; L254-Y290 HydrophobicContact CB-CE1 3.99Å; L254-Y290 HydrophobicContact CD1-CD1 4.39Å; L254-Y290 HydrophobicContact CD1-CE1 4.08Å; L254-Y290 HydrophobicContact CD2-CD1 4.47Å; L254-Y290 HydrophobicContact CD2-CE1 3.67Å; L254-Y290 HydrophobicContact CG-CD1 4.46Å; L254-Y290 HydrophobicContact CG-CE1 4.09Å
255F98.4Very high97.4Very high0 Ų014.4 Ų14.40%09%0.089CC..Hα-helixtrans-58.7-51.3173.9172.4-113000112L29 V63 K221 P222 S223 M226 F227 M244 T251 D252 M253 S257 N258 C259 L261L29-F255 HydrophobicContact CD2-CE1 4.17Å; V63-F255 HydrophobicContact CG1-CE1 4.33Å; V63-F255 HydrophobicContact CG1-CZ 4.45Å; K221-F255 HydrophobicContact CB-CB 4.04Å; K221-F255 HydrophobicContact CB-CD2 4.35Å; K221-F255 HydrophobicContact CB-CG 4.21Å; K221-F255 HydrophobicContact CD-CB 4.34Å; K221-F255 HydrophobicContact CD-CD1 4.02Å; K221-F255 HydrophobicContact CD-CG 4.13Å; K221-F255 HydrophobicContact CG-CB 4Å; K221-F255 HydrophobicContact CG-CD1 4Å; K221-F255 HydrophobicContact CG-CD2 3.86Å; K221-F255 HydrophobicContact CG-CE1 4.43Å; K221-F255 HydrophobicContact CG-CE2 4.3Å; K221-F255 HydrophobicContact CG-CG 3.68Å; P222-F255 HydrophobicContact CB-CB 4.43Å; S223-F255 WeakPolarHBondContact O-CD2 3.3Å; S223-F255 WeakPolarHBondContact O-CE2 3.48Å; M226-F255 HydrophobicContact CB-CE2 4.03Å; M226-F255 HydrophobicContact CB-CZ 4.41Å; F227-F255 HydrophobicContact CB-CE2 3.94Å; F227-F255 HydrophobicContact CB-CZ 3.75Å; M244-F255 HydrophobicContact CE-CD1 4.26Å; M244-F255 HydrophobicContact CG-CD1 3.98Å; M244-F255 HydrophobicContact SD-CD1 3.73Å; M244-F255 HydrophobicContact SD-CE1 3.92Å; T251-F255 WeakPolarHBondContact O-CB 3.41Å; T251-F255 PolarHBondContact O-N 2.92Å; D252-F255 WeakPolarHBondContact O-CB 3.3Å; D252-F255 PolarHBondContact O-N 3.5Å; M253-F255 VanDerWaalsContact C-N 3.31Å; M253-F255 PolarHBondContact O-N 3.12Å; F255-S257 PolarHBondContact O-N 3.23Å; F255-N258 PolarHBondContact O-N 2.78Å; F255-C259 WeakPolarHBondContact O-CB 3.41Å; F255-C259 PolarHBondContact O-N 2.65Å; F255-C259 PolarHBondContact O-SG 2.76Å; F255-L261 HydrophobicContact CE1-CD1 4.34Å
256G97.8Very high97.3Very high0 Ų014.4 Ų14.40%09%0.089CC..Hα-helixtrans-60-46.317900000111.8D252 M253 C259 G260 L261D252-G256 PolarHBondContact O-N 2.67Å; M253-G256 PolarHBondContact O-N 3.24Å; G256-C259 CarbonylContact O-C 3.58Å; G256-C259 PolarHBondContact O-N 2.95Å; G256-C259 VanDerWaalsContact O-N 3.14Å; G256-G260 PolarHBondContact O-N 3.07Å; G256-L261 PolarHBondContact O-N 3.41Å
257S96.3Very high97.3Very high49 Ų4916.1 Ų16.134%0.34310%0.098SC..Hα-helixtrans-59.6-48175.8-177.20000112.4M253 L254 F255 C259 G260 S289M253-S257 WeakPolarHBondContact O-CB 3.43Å; M253-S257 PolarHBondContact O-N 3.46Å; L254-S257 PolarHBondContact O-N 3.21Å; F255-S257 PolarHBondContact O-N 3.23Å; S257-C259 PolarHBondContact O-N 3.38Å; S257-C259 VanDerWaalsContact O-N 3.16Å; S257-G260 PolarHBondContact O-N 3.06Å; S257-G260 VanDerWaalsContact O-N 3.07Å; S257-S289 WeakPolarHBondContact CB-O 3.15Å
258N96.8Very high97.3Very high55 Ų5517.3 Ų17.329%0.29411%0.106SC..Hα-helixtrans-59-30.1177.1-77.2-14.9000112.5P222 R224 L254 F255P222-N258 PolarHBondContact O-ND2 3.15Å; R224-N258 WeakPolarHBondContact CD-O 3.38Å; R224-N258 HydrophobicContact CG-CB 3.96Å; R224-N258 WeakPolarHBondContact CG-O 3.3Å; R224-N258 PolarHBondContact NE-O 3.27Å; R224-N258 PolarHBondContact NH1-O 3.17Å; L254-N258 WeakPolarHBondContact O-CB 3.4Å; L254-N258 PolarHBondContact O-N 2.92Å; L254-N258 PolarHBondContact O-ND2 3.12Å; F255-N258 PolarHBondContact O-N 2.78Å
259C96.9Very high97.1Very high3 Ų317.3 Ų17.32%0.0211%0.112CC..Hα-helixtrans-94.7-6.3-179.3-60.90000113.5F227 F255 G256 S257 L261F227-C259 HydrophobicContact CB-CB 4.16Å; F227-C259 WeakPolarHBondContact CB-SG 3.45Å; F227-C259 HydrophobicContact CD1-CB 4.08Å; F227-C259 HydrophobicContact CG-CB 3.99Å; F255-C259 WeakPolarHBondContact O-CB 3.41Å; F255-C259 PolarHBondContact O-N 2.65Å; F255-C259 PolarHBondContact O-SG 2.76Å; G256-C259 CarbonylContact O-C 3.58Å; G256-C259 PolarHBondContact O-N 2.95Å; G256-C259 VanDerWaalsContact O-N 3.14Å; S257-C259 PolarHBondContact O-N 3.38Å; S257-C259 VanDerWaalsContact O-N 3.16Å; C259-L261 HydrophobicContact CB-CD1 4.04Å; C259-L261 HydrophobicContact CB-CD2 4.01Å; C259-L261 HydrophobicContact CB-CG 3.72Å
260G96.2Very high97Very high48 Ų4818.9 Ų18.950%0.49512%0.122SC..THydrogen-bonded Turntrans73.325.8-176.600000113.9G256 S257G256-G260 PolarHBondContact O-N 3.07Å; S257-G260 PolarHBondContact O-N 3.06Å; S257-G260 VanDerWaalsContact O-N 3.07Å
261L97.3Very high97Very high6 Ų616.1 Ų16.13%0.03111%0.109CC..  trans-87.2154.9176-38.7179000109.5L29 F227 P239 C242 M244 F255 G256 C259L29-L261 HydrophobicContact CD2-CD1 3.98Å; F227-L261 HydrophobicContact CD2-CD1 4.04Å; F227-L261 HydrophobicContact CD2-CD2 4.16Å; F227-L261 HydrophobicContact CE1-CD2 4.23Å; F227-L261 HydrophobicContact CE2-CD1 4.06Å; F227-L261 HydrophobicContact CE2-CD2 3.55Å; F227-L261 HydrophobicContact CE2-CG 4.46Å; F227-L261 HydrophobicContact CZ-CD2 3.59Å; P239-L261 HydrophobicContact CB-CD2 3.8Å; C242-L261 HydrophobicContact CB-CB 4.18Å; C242-L261 HydrophobicContact CB-CD1 4.42Å; C242-L261 HydrophobicContact CB-CD2 3.55Å; C242-L261 HydrophobicContact CB-CG 4.22Å; M244-L261 HydrophobicContact CB-CD1 4.13Å; F255-L261 HydrophobicContact CE1-CD1 4.34Å; G256-L261 PolarHBondContact O-N 3.41Å; C259-L261 HydrophobicContact CB-CD1 4.04Å; C259-L261 HydrophobicContact CB-CD2 4.01Å; C259-L261 HydrophobicContact CB-CG 3.72Å
262D97.3Very high96.9Very high17 Ų1719.6 Ų19.69%0.09113%0.125CC..EExtended strand (participates in β ladder)trans-70.7150.5161.8-78.50.3000109.3K8 K25 C242 L243 M244 D293 Y294K8-D262 IonicContact NZ-OD1 3.19Å; K8-D262 PolarHBondContact NZ-OD1 3.25Å; K25-D262 WeakPolarHBondContact CE-OD2 3.31Å; K25-D262 IonicContact NZ-OD1 2.62Å; K25-D262 IonicContact NZ-OD2 3.25Å; K25-D262 PolarHBondContact NZ-OD2 3.15Å; C242-D262 PolarHBondContact O-N 2.93Å; C242-D262 VanDerWaalsContact O-N 3.15Å; L243-D262 CarbonylContact C-O 3.53Å; L243-D262 WeakPolarHBondContact CA-O 3.29Å; L243-D262 HydrophobicContact CD1-CB 3.92Å; M244-D262 PolarHBondContact N-O 3.38Å; D262-D293 WeakPolarHBondContact CA-OD2 3.42Å; D262-Y294 HydrophobicContact CB-CE2 4.14Å
263T98.1Very high96.7Very high4 Ų420.9 Ų20.93%0.02513%0.131CC..EExtended strand (participates in β ladder)trans-124.1138.5-171.152.50000112.1M244 M253 P292 D293 Y294M244-T263 CarbonylContact O-C 3.57Å; M244-T263 WeakPolarHBondContact O-CA 3.47Å; M253-T263 HydrophobicContact SD-CG2 4.35Å; T263-P292 WeakPolarHBondContact OG1-CA 3.39Å; T263-D293 PolarHBondContact N-OD2 3.36Å; T263-D293 WeakPolarHBondContact O-CB 3.3Å; T263-D293 PolarHBondContact O-N 3.39Å; T263-D293 VanDerWaalsContact O-N 3.14Å; T263-D293 PolarHBondContact OG1-N 2.89Å; T263-D293 PolarHBondContact OG1-OD2 3.37Å; T263-Y294 WeakPolarHBondContact O-CD2 3.38Å; T263-Y294 PolarHBondContact O-N 3.2Å
264M98.3Very high96.6Very high0 Ų026 Ų260%016%0.155CC..EExtended strand (participates in β ladder)trans-132.2119.2176.9177.3176.3-72.300110.8I13 L21 L243 M244 V245 G246 M253 Y294 V296 F302I13-M264 HydrophobicContact CD1-CE 3.59Å; I13-M264 HydrophobicContact CG1-CE 4.27Å; L21-M264 HydrophobicContact CD2-CE 3.37Å; L243-M264 HydrophobicContact CD1-CB 4.05Å; L243-M264 HydrophobicContact CD2-CB 4.45Å; L243-M264 HydrophobicContact CD2-CE 4.13Å; L243-M264 HydrophobicContact CD2-SD 4.41Å; L243-M264 HydrophobicContact CG-CB 4.38Å; M244-M264 PolarHBondContact O-N 3.42Å; V245-M264 WeakPolarHBondContact CA-O 3.19Å; V245-M264 HydrophobicContact CG1-CB 4.49Å; V245-M264 HydrophobicContact CG1-CG 4.35Å; V245-M264 HydrophobicContact CG1-SD 4.37Å; V245-M264 HydrophobicContact CG2-CB 4.25Å; V245-M264 HydrophobicContact CG2-SD 4.38Å; G246-M264 PolarHBondContact N-O 3.24Å; M253-M264 WeakPolarHBondContact CE-O 3.42Å; M264-Y294 CarbonylContact C-O 3.56Å; M264-Y294 VanDerWaalsContact CA-O 3.29Å; M264-Y294 WeakPolarHBondContact CA-O 3.49Å; M264-Y294 HydrophobicContact CE-CD2 4.49Å; M264-Y294 HydrophobicContact CE-CG 4.34Å; M264-V296 HydrophobicContact CE-CG1 4.11Å; M264-V296 HydrophobicContact CG-CG2 4.07Å; M264-V296 HydrophobicContact SD-CB 4.49Å; M264-V296 HydrophobicContact SD-CG1 3.84Å; M264-V296 HydrophobicContact SD-CG2 3.8Å; M264-F302 HydrophobicContact CE-CE2 4.01Å; M264-F302 HydrophobicContact CE-CZ 3.86Å; M264-F302 HydrophobicContact SD-CE2 3.64Å; M264-F302 HydrophobicContact SD-CZ 3.77Å
265L98.6Very high96.5Very high0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-84.5128.3170.5-178.471.3000110G246 L249 M253 L267 A276 P292 Y294 V295 V296G246-L265 CarbonylContact O-C 3.57Å; G246-L265 WeakPolarHBondContact O-CA 3.34Å; L249-L265 HydrophobicContact CD2-CD1 4.21Å; L249-L265 HydrophobicContact CD2-CD2 4.09Å; M253-L265 HydrophobicContact SD-CB 4.24Å; L265-L267 HydrophobicContact CD2-CD2 3.76Å; L265-L267 HydrophobicContact CG-CD2 4.16Å; L265-A276 HydrophobicContact CD2-CB 4.39Å; L265-P292 HydrophobicContact CB-CB 3.86Å; L265-P292 HydrophobicContact CB-CG 3.92Å; L265-P292 HydrophobicContact CD2-CG 4.41Å; L265-Y294 PolarHBondContact N-O 2.67Å; L265-V295 HydrophobicContact CB-CG2 4.37Å; L265-V295 CarbonylContact O-C 3.58Å; L265-V295 VanDerWaalsContact O-CA 3.31Å; L265-V295 WeakPolarHBondContact O-CA 3.08Å; L265-V296 PolarHBondContact O-N 2.9Å
266T98.3Very high96.3Very high0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-99.8138164.1-179.70000110.2V35 G246 D247 T268 V296 T298V35-T266 HydrophobicContact CB-CG2 4.07Å; V35-T266 HydrophobicContact CG1-CG2 3.98Å; V35-T266 HydrophobicContact CG2-CG2 3.67Å; G246-T266 WeakPolarHBondContact O-CG2 3.48Å; G246-T266 PolarHBondContact O-N 3.46Å; D247-T266 HydrophobicContact CB-CG2 4.18Å; T266-T268 WeakPolarHBondContact CG2-OG1 3.5Å; T266-T268 PolarHBondContact O-N 2.84Å; T266-T268 PolarHBondContact OG1-OG1 3.34Å; T266-V296 WeakPolarHBondContact CA-O 3.33Å; T266-T298 WeakPolarHBondContact OG1-CA 3.29Å
267L97.6Very high96Very high35 Ų3532.7 Ų32.718%0.18319%0.185CC..THydrogen-bonded Turntrans-88.920.7-175.9-57.3-179.9000113.5L265 I273 V295 V296 D297L265-L267 HydrophobicContact CD2-CD2 3.76Å; L265-L267 HydrophobicContact CG-CD2 4.16Å; L267-I273 HydrophobicContact CD1-CB 4.23Å; L267-I273 HydrophobicContact CD2-CB 4.06Å; L267-V295 HydrophobicContact CD1-CG1 4.02Å; L267-V295 HydrophobicContact CD2-CG1 3.96Å; L267-V295 HydrophobicContact CG-CG1 3.9Å; L267-V296 PolarHBondContact N-O 3.45Å; L267-V296 VanDerWaalsContact N-O 3.11Å; L267-D297 PolarHBondContact N-O 3.04Å
268T96.9Very high95.9Very high34 Ų3436.9 Ų36.921%0.20920%0.2CC..THydrogen-bonded Turntrans-84.9-19.3179.240.20000113.2G34 H38 I43 T266G34-T268 CarbonylContact O-C 3.59Å; G34-T268 VanDerWaalsContact O-CB 3.29Å; G34-T268 WeakPolarHBondContact O-CB 3.45Å; G34-T268 PolarHBondContact O-OG1 3.42Å; H38-T268 PolarHBondContact CE1-O 3.45Å; H38-T268 PolarHBondContact NE2-O 3.05Å; H38-T268 VanDerWaalsContact NE2-O 3.07Å; I43-T268 HydrophobicContact CD1-CG2 4.23Å; I43-T268 HydrophobicContact CG2-CG2 4.14Å; T266-T268 WeakPolarHBondContact CG2-OG1 3.5Å; T266-T268 PolarHBondContact O-N 2.84Å; T266-T268 PolarHBondContact OG1-OG1 3.34Å
269G93.9Very high95.6Very high20 Ų2036.7 Ų36.721%0.20620%0.195CC..SBendtrans-118.4-128.7-170.700000115.3G34 D247G34-G269 PolarHBondContact O-N 3.23Å; D247-G269 WeakPolarHBondContact OD2-CA 3.47Å
270V94Very high95.3Very high32 Ų3243 Ų4319%0.19422%0.219CC..SBendtrans-72.8-59.6-165.91760000112.9W189 P191 D247 R248W189-V270 HydrophobicContact CH2-CG1 3.94Å; W189-V270 HydrophobicContact CZ2-CG1 4.29Å; P191-V270 HydrophobicContact CG-CG2 4.21Å; D247-V270 WeakPolarHBondContact OD2-CG2 3.4Å; D247-V270 PolarHBondContact OD2-N 3.33Å; R248-V270 HydrophobicContact CB-CB 4.49Å; R248-V270 HydrophobicContact CG-CB 4.42Å; R248-V270 HydrophobicContact CG-CG1 4.32Å
271S95.3Very high95Very high0 Ų045.2 Ų45.20%023%0.226CC..  trans-83.6145-171.2-64.70000112.1D247 L249D247-S271 WeakPolarHBondContact O-CB 3.49Å; D247-S271 PolarHBondContact O-N 3.23Å; L249-S271 WeakPolarHBondContact CG-OG 3.2Å; L249-S271 PolarHBondContact N-OG 2.91Å; L249-S271 VanDerWaalsContact N-OG 3.08Å
272Q94.7Very high94.7Very high82 Ų8246.4 Ų46.438%0.38324%0.235SC..  trans-100.7163.2175.2-56.4-57.4-50.300112E274 E275 A276Q272-E274 WeakPolarHBondContact CB-OE2 3.39Å; Q272-E274 PolarHBondContact O-N 3.43Å; Q272-E275 PolarHBondContact N-OE1 2.84Å; Q272-E275 PolarHBondContact O-N 3.05Å; Q272-A276 PolarHBondContact O-N 3.37Å
273I94.6Very high94.3Very high29 Ų2953.6 Ų53.615%0.14927%0.274CS..Hα-helixtrans-66.3-28.9-179.8-165.9172.5000111.9L267 A276 Q277 V295L267-I273 HydrophobicContact CD1-CB 4.23Å; L267-I273 HydrophobicContact CD2-CB 4.06Å; I273-A276 WeakPolarHBondContact O-CB 3.39Å; I273-A276 PolarHBondContact O-N 3.29Å; I273-Q277 WeakPolarHBondContact O-CG 3.19Å; I273-Q277 PolarHBondContact O-N 3.29Å; I273-V295 HydrophobicContact CD1-CG1 4.13Å; I273-V295 HydrophobicContact CG1-CG1 4.44Å
274E95Very high93.8Very high106 Ų10658.6 Ų58.650%0.49530%0.3SS..Hα-helixtrans-62.9-43.7177.4-66.270.9-155.500111Q272 A276 Q277 E278Q272-E274 WeakPolarHBondContact CB-OE2 3.39Å; Q272-E274 PolarHBondContact O-N 3.43Å; E274-A276 VanDerWaalsContact C-N 3.31Å; E274-A276 PolarHBondContact O-N 3.26Å; E274-Q277 WeakPolarHBondContact O-CB 3.14Å; E274-Q277 PolarHBondContact O-N 3.46Å; E274-Q277 VanDerWaalsContact O-N 3.09Å; E274-E278 WeakPolarHBondContact O-CG 3.45Å; E274-E278 PolarHBondContact O-N 2.99Å
275E94.1Very high93Very high68 Ų6863.8 Ų63.832%0.31833%0.332SS..Hα-helixtrans-61.1-41176.2-64.7169.1-105.800111.3L249 Q272 Q277 E278 Y279L249-E275 HydrophobicContact CD1-CB 3.66Å; Q272-E275 PolarHBondContact N-OE1 2.84Å; Q272-E275 PolarHBondContact O-N 3.05Å; E275-Q277 VanDerWaalsContact C-N 3.3Å; E275-Q277 PolarHBondContact O-N 2.66Å; E275-E278 WeakPolarHBondContact O-CB 3.44Å; E275-E278 PolarHBondContact O-N 3.01Å; E275-Y279 WeakPolarHBondContact O-CD2 3.41Å; E275-Y279 PolarHBondContact O-N 3.49Å
276A93.4Very high92.3Very high0 Ų068.1 Ų68.10%036%0.358CS..Hα-helixtrans-63.6-36175.500000112.3C10 L249 L265 Q272 I273 E274 R280 P292C10-A276 VanDerWaalsContact SG-CB 3.58Å; L249-A276 HydrophobicContact CD1-CB 4.13Å; L249-A276 HydrophobicContact CD2-CB 3.92Å; L265-A276 HydrophobicContact CD2-CB 4.39Å; Q272-A276 PolarHBondContact O-N 3.37Å; I273-A276 WeakPolarHBondContact O-CB 3.39Å; I273-A276 PolarHBondContact O-N 3.29Å; E274-A276 VanDerWaalsContact C-N 3.31Å; E274-A276 PolarHBondContact O-N 3.26Å; A276-R280 WeakPolarHBondContact O-CB 3.39Å; A276-R280 PolarHBondContact O-N 2.88Å; A276-P292 HydrophobicContact CB-CG 4.13Å
277Q92.9Very high91.8Very high98 Ų9869.4 Ų69.446%0.45837%0.365SS..Hα-helixtrans-71.5-35.6175.5-69.41729.600112.4I273 E274 E275 R280 S281I273-Q277 WeakPolarHBondContact O-CG 3.19Å; I273-Q277 PolarHBondContact O-N 3.29Å; E274-Q277 WeakPolarHBondContact O-CB 3.14Å; E274-Q277 PolarHBondContact O-N 3.46Å; E274-Q277 VanDerWaalsContact O-N 3.09Å; E275-Q277 VanDerWaalsContact C-N 3.3Å; E275-Q277 PolarHBondContact O-N 2.66Å; Q277-R280 PolarHBondContact O-N 2.8Å; Q277-S281 WeakPolarHBondContact O-CB 3.36Å; Q277-S281 PolarHBondContact O-N 3.28Å; Q277-S281 PolarHBondContact O-OG 2.75Å
278E92.8Very high91.3Very high137 Ų13772.3 Ų72.364%0.6438%0.377SS*.Hα-helixtrans-62.3-48.1172.4-72.2179.7-175.800111E274 E275 R280 S281 S282E274-E278 WeakPolarHBondContact O-CG 3.45Å; E274-E278 PolarHBondContact O-N 2.99Å; E275-E278 WeakPolarHBondContact O-CB 3.44Å; E275-E278 PolarHBondContact O-N 3.01Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 2.91Å; E278-S281 PolarHBondContact O-N 2.94Å; E278-S281 PolarHBondContact O-OG 3.05Å; E278-S281 VanDerWaalsContact O-OG 3.11Å; E278-S282 PolarHBondContact O-N 3.34Å; E278-S282 VanDerWaalsContact O-N 3.09Å
279Y92.4Very high91Very high52 Ų5272.6 Ų72.620%0.20438%0.381CS..Hα-helixtrans-60.3-38.8174.5-75-48.2000112.6L249 E250 E275 S282 N287 Y290L249-Y279 HydrophobicContact CB-CD2 4.46Å; L249-Y279 HydrophobicContact CB-CE2 4.08Å; L249-Y279 HydrophobicContact CD1-CD2 3.91Å; L249-Y279 HydrophobicContact CD1-CE2 3.88Å; E250-Y279 WeakPolarHBondContact OE1-CE2 3.4Å; E250-Y279 PolarHBondContact OE1-OH 3.48Å; E275-Y279 WeakPolarHBondContact O-CD2 3.41Å; E275-Y279 PolarHBondContact O-N 3.49Å; Y279-S282 VanDerWaalsContact O-CB 3.32Å; Y279-S282 WeakPolarHBondContact O-CB 3.25Å; Y279-S282 PolarHBondContact O-N 2.92Å; Y279-N287 HydrophobicContact CD1-CB 3.78Å; Y279-N287 HydrophobicContact CG-CB 4.48Å; Y279-Y290 AromaticContact CD1-CD2 3.82Å; Y279-Y290 HydrophobicContact CD1-CD2 3.82Å; Y279-Y290 HydrophobicContact CD1-CG 4.5Å; Y279-Y290 HydrophobicContact CD2-CD2 4.4Å; Y279-Y290 HydrophobicContact CD2-CG 4.31Å; Y279-Y290 AromaticContact CE1-CD2 3.72Å; Y279-Y290 HydrophobicContact CE1-CD2 3.72Å; Y279-Y290 HydrophobicContact CE1-CE2 4.27Å; Y279-Y290 HydrophobicContact CE1-CG 4.4Å; Y279-Y290 HydrophobicContact CE2-CD2 4.33Å; Y279-Y290 HydrophobicContact CE2-CG 4.21Å; Y279-Y290 HydrophobicContact CG-CD2 4.16Å; Y279-Y290 HydrophobicContact CG-CG 4.45Å
280R90.3Very high91Very high136 Ų13674.2 Ų74.251%0.51338%0.381SS..Hα-helixtrans-66.1-37.5178-176.6-177.6177.7179.97.6113.1G9 A276 Q277 E278 S282 V291G9-R280 VanDerWaalsContact O-CZ 3.24Å; G9-R280 PolarHBondContact O-NH1 3.27Å; A276-R280 WeakPolarHBondContact O-CB 3.39Å; A276-R280 PolarHBondContact O-N 2.88Å; Q277-R280 PolarHBondContact O-N 2.8Å; E278-R280 VanDerWaalsContact C-N 3.28Å; E278-R280 PolarHBondContact O-N 2.91Å; R280-S282 VanDerWaalsContact C-N 3.28Å; R280-V291 HydrophobicContact CB-CG1 4.04Å; R280-V291 HydrophobicContact CB-CG2 3.92Å; R280-V291 HydrophobicContact CG-CG1 4.33Å
281S90.3Very high91.1Very high94 Ų9473.7 Ų73.766%0.65738%0.378SS*.Hα-helixtrans-84.3-4.9-179.856.40000113.2Q277 E278Q277-S281 WeakPolarHBondContact O-CB 3.36Å; Q277-S281 PolarHBondContact O-N 3.28Å; Q277-S281 PolarHBondContact O-OG 2.75Å; E278-S281 PolarHBondContact O-N 2.94Å; E278-S281 PolarHBondContact O-OG 3.05Å; E278-S281 VanDerWaalsContact O-OG 3.11Å
282S90.1Very high91.2Very high31 Ų3173.8 Ų73.822%0.21738%0.378CS..  trans-69.9137.3179.7-167.10000112.7E278 Y279 R280 L284 N287 H288E278-S282 PolarHBondContact O-N 3.34Å; E278-S282 VanDerWaalsContact O-N 3.09Å; Y279-S282 VanDerWaalsContact O-CB 3.32Å; Y279-S282 WeakPolarHBondContact O-CB 3.25Å; Y279-S282 PolarHBondContact O-N 2.92Å; R280-S282 VanDerWaalsContact C-N 3.28Å; S282-L284 PolarHBondContact O-N 3.29Å; S282-L284 PolarHBondContact OG-N 3.03Å; S282-N287 WeakPolarHBondContact CB-ND2 3.3Å; S282-N287 PolarHBondContact OG-ND2 3.13Å; S282-H288 PolarHBondContact O-NE2 3.24Å; S282-H288 VanDerWaalsContact O-NE2 3.13Å
283D89.5Confident91.2Very high167 Ų16770.9 Ų70.989%0.89337%0.365SS*.SBendtrans-70.3-16.8171.9-66.9-38000112.7T285D283-T285 PolarHBondContact O-N 3.18Å
284L87.3Confident91.3Very high109 Ų10970 Ų7057%0.57136%0.36SS*.  trans-78.3110.1177-64.2176.7000109.7S282 T286 N287S282-L284 PolarHBondContact O-N 3.29Å; S282-L284 PolarHBondContact OG-N 3.03Å; L284-T286 PolarHBondContact O-N 3.23Å; L284-T286 VanDerWaalsContact O-N 3.15Å; L284-N287 VanDerWaalsContact O-CB 3.28Å; L284-N287 WeakPolarHBondContact O-CB 3.47Å; L284-N287 PolarHBondContact O-N 2.87Å
285T81.6Confident91.5Very high110 Ų11065 Ų6568%0.67534%0.337SS*.G310 helixtrans-59-28.5-179.851.20000113.5D283 N287 H288D283-T285 PolarHBondContact O-N 3.18Å; T285-N287 PolarHBondContact O-N 3Å; T285-H288 WeakPolarHBondContact O-CB 3.46Å; T285-H288 PolarHBondContact O-N 3.38Å; T285-H288 VanDerWaalsContact O-N 3.15Å
286T83.7Confident91.7Very high90 Ų9061.7 Ų61.755%0.55232%0.322SS*.G310 helixtrans-60.8-26173.752.20000112.7L284 H288L284-T286 PolarHBondContact O-N 3.23Å; L284-T286 VanDerWaalsContact O-N 3.15Å; T286-H288 VanDerWaalsContact C-N 3.28Å; T286-H288 PolarHBondContact O-N 2.96Å
287N87.6Confident91.9Very high27 Ų2764.2 Ų64.214%0.14434%0.335CS..G310 helixtrans-75.7-20.3-179.9-71.1-5.6000112.7Y279 S282 L284 T285 S289 Y290Y279-N287 HydrophobicContact CD1-CB 3.78Å; Y279-N287 HydrophobicContact CG-CB 4.48Å; S282-N287 WeakPolarHBondContact CB-ND2 3.3Å; S282-N287 PolarHBondContact OG-ND2 3.13Å; L284-N287 VanDerWaalsContact O-CB 3.28Å; L284-N287 WeakPolarHBondContact O-CB 3.47Å; L284-N287 PolarHBondContact O-N 2.87Å; T285-N287 PolarHBondContact O-N 3Å; N287-S289 PolarHBondContact O-N 2.89Å; N287-Y290 HydrophobicContact CB-CD2 4.28Å; N287-Y290 WeakPolarHBondContact O-CB 3.28Å; N287-Y290 WeakPolarHBondContact O-CD2 3.46Å; N287-Y290 PolarHBondContact O-N 3.26Å
288H86.9Confident92.1Very high97 Ų9760.9 Ų60.945%0.44932%0.321SS..G310 helixtrans-67.2-22.1179.9-62.7177.9000111.9S282 T285 T286 Y290 V291S282-H288 PolarHBondContact O-NE2 3.24Å; S282-H288 VanDerWaalsContact O-NE2 3.13Å; T285-H288 WeakPolarHBondContact O-CB 3.46Å; T285-H288 PolarHBondContact O-N 3.38Å; T285-H288 VanDerWaalsContact O-N 3.15Å; T286-H288 VanDerWaalsContact C-N 3.28Å; T286-H288 PolarHBondContact O-N 2.96Å; H288-Y290 PolarHBondContact O-N 3.45Å; H288-V291 WeakPolarHBondContact O-CB 3.43Å; H288-V291 PolarHBondContact O-N 2.79Å
289S91.5Very high92.3Very high40 Ų4054.3 Ų54.328%0.2829%0.291SS..G310 helixtrans-70.6-16.1173.6-61.50000114.3S257 N287S257-S289 WeakPolarHBondContact CB-O 3.15Å; N287-S289 PolarHBondContact O-N 2.89Å
290Y93.7Very high92.6Very high53 Ų5352.7 Ų52.721%0.20829%0.288CS..G310 helixtrans-87.5-14.2173.1-54.5-62.4000112.5L249 E250 M253 L254 Y279 N287 H288 P292L249-Y290 VanDerWaalsContact CD2-O 3.27Å; L249-Y290 WeakPolarHBondContact CD2-O 3.36Å; E250-Y290 HydrophobicContact CB-CE1 4.47Å; E250-Y290 HydrophobicContact CG-CE1 4.48Å; M253-Y290 WeakPolarHBondContact CB-O 3.3Å; L254-Y290 HydrophobicContact CB-CD1 3.92Å; L254-Y290 HydrophobicContact CB-CE1 3.99Å; L254-Y290 HydrophobicContact CD1-CD1 4.39Å; L254-Y290 HydrophobicContact CD1-CE1 4.08Å; L254-Y290 HydrophobicContact CD2-CD1 4.47Å; L254-Y290 HydrophobicContact CD2-CE1 3.67Å; L254-Y290 HydrophobicContact CG-CD1 4.46Å; L254-Y290 HydrophobicContact CG-CE1 4.09Å; Y279-Y290 AromaticContact CD1-CD2 3.82Å; Y279-Y290 HydrophobicContact CD1-CD2 3.82Å; Y279-Y290 HydrophobicContact CD1-CG 4.5Å; Y279-Y290 HydrophobicContact CD2-CD2 4.4Å; Y279-Y290 HydrophobicContact CD2-CG 4.31Å; Y279-Y290 AromaticContact CE1-CD2 3.72Å; Y279-Y290 HydrophobicContact CE1-CD2 3.72Å; Y279-Y290 HydrophobicContact CE1-CE2 4.27Å; Y279-Y290 HydrophobicContact CE1-CG 4.4Å; Y279-Y290 HydrophobicContact CE2-CD2 4.33Å; Y279-Y290 HydrophobicContact CE2-CG 4.21Å; Y279-Y290 HydrophobicContact CG-CD2 4.16Å; Y279-Y290 HydrophobicContact CG-CG 4.45Å; N287-Y290 HydrophobicContact CB-CD2 4.28Å; N287-Y290 WeakPolarHBondContact O-CB 3.28Å; N287-Y290 WeakPolarHBondContact O-CD2 3.46Å; N287-Y290 PolarHBondContact O-N 3.26Å; H288-Y290 PolarHBondContact O-N 3.45Å; Y290-P292 WeakPolarHBondContact O-CD 3.32Å
291V95.6Very high92.9Very high22 Ų2247.9 Ų47.913%0.13327%0.273CS..SBendtrans-77.7121.9-173.3-177.40000109.2C10 R280 H288C10-V291 HydrophobicContact CB-CG1 3.86Å; R280-V291 HydrophobicContact CB-CG1 4.04Å; R280-V291 HydrophobicContact CB-CG2 3.92Å; R280-V291 HydrophobicContact CG-CG1 4.33Å; H288-V291 WeakPolarHBondContact O-CB 3.43Å; H288-V291 PolarHBondContact O-N 2.79Å
292P96.8Very high93.2Very high1 Ų143.5 Ų43.51%0.00624%0.241CC..  trans-67.6149.8177.628-34000111.1C10 L249 M253 T263 L265 A276 Y290 Y294 V295C10-P292 VanDerWaalsContact CA-O 3.31Å; C10-P292 WeakPolarHBondContact CA-O 3.46Å; C10-P292 HydrophobicContact CB-CG 4.37Å; C10-P292 PolarHBondContact N-O 2.87Å; L249-P292 HydrophobicContact CD2-CG 4.4Å; M253-P292 HydrophobicContact CG-CB 4.17Å; M253-P292 HydrophobicContact SD-CB 3.62Å; T263-P292 WeakPolarHBondContact OG1-CA 3.39Å; L265-P292 HydrophobicContact CB-CB 3.86Å; L265-P292 HydrophobicContact CB-CG 3.92Å; L265-P292 HydrophobicContact CD2-CG 4.41Å; A276-P292 HydrophobicContact CB-CG 4.13Å; Y290-P292 WeakPolarHBondContact O-CD 3.32Å; P292-Y294 WeakPolarHBondContact CB-O 3.47Å; P292-V295 HydrophobicContact CG-CG2 3.91Å
293D96.1Very high93.4Very high21 Ų2143.9 Ų43.911%0.11224%0.241CC..SBendtrans-68.5-45.4167.7-62.3-74.3000110K8 G9 Q11 D262 T263K8-D293 WeakPolarHBondContact CD-OD1 3.38Å; K8-D293 WeakPolarHBondContact CG-OD1 3.04Å; K8-D293 IonicContact NZ-OD1 3.46Å; K8-D293 PolarHBondContact NZ-OD1 3.25Å; G9-D293 PolarHBondContact N-O 3.33Å; Q11-D293 PolarHBondContact N-O 2.94Å; D262-D293 WeakPolarHBondContact CA-OD2 3.42Å; T263-D293 PolarHBondContact N-OD2 3.36Å; T263-D293 WeakPolarHBondContact O-CB 3.3Å; T263-D293 PolarHBondContact O-N 3.39Å; T263-D293 VanDerWaalsContact O-N 3.14Å; T263-D293 PolarHBondContact OG1-N 2.89Å; T263-D293 PolarHBondContact OG1-OD2 3.37Å
294Y96.9Very high93.6Very high11 Ų1138.9 Ų38.94%0.04322%0.217CC..EExtended strand (participates in β ladder)trans-126.5153.5-174.3-49.8-68000112.7F7 Q11 I13 L21 L243 D262 T263 M264 L265 P292F7-Y294 HydrophobicContact CB-CE1 4.09Å; F7-Y294 WeakPolarHBondContact O-CE1 3.42Å; Q11-Y294 CarbonylContact O-C 3.48Å; Q11-Y294 WeakPolarHBondContact O-CA 3.4Å; I13-Y294 HydrophobicContact CD1-CD1 4Å; I13-Y294 HydrophobicContact CD1-CG 4.07Å; I13-Y294 HydrophobicContact CG2-CD1 3.83Å; L21-Y294 HydrophobicContact CD1-CD2 4.26Å; L21-Y294 HydrophobicContact CD1-CE2 3.63Å; L21-Y294 HydrophobicContact CD2-CD2 4.2Å; L21-Y294 HydrophobicContact CD2-CE2 4.38Å; L243-Y294 HydrophobicContact CD1-CD2 4.06Å; L243-Y294 HydrophobicContact CD1-CE2 4.36Å; D262-Y294 HydrophobicContact CB-CE2 4.14Å; T263-Y294 WeakPolarHBondContact O-CD2 3.38Å; T263-Y294 PolarHBondContact O-N 3.2Å; M264-Y294 CarbonylContact C-O 3.56Å; M264-Y294 VanDerWaalsContact CA-O 3.29Å; M264-Y294 WeakPolarHBondContact CA-O 3.49Å; M264-Y294 HydrophobicContact CE-CD2 4.49Å; M264-Y294 HydrophobicContact CE-CG 4.34Å; L265-Y294 PolarHBondContact N-O 2.67Å; P292-Y294 WeakPolarHBondContact CB-O 3.47Å
295V97.7Very high93.8Very high0 Ų033.7 Ų33.70%019%0.19CC..EExtended strand (participates in β ladder)trans-131.8137.9174.2-173.20000109.7Q11 K12 I13 L265 L267 I273 P292Q11-V295 PolarHBondContact O-N 2.73Å; K12-V295 CarbonylContact C-O 3.51Å; K12-V295 VanDerWaalsContact CA-O 3.26Å; K12-V295 WeakPolarHBondContact CA-O 3.39Å; I13-V295 PolarHBondContact N-O 3.12Å; L265-V295 HydrophobicContact CB-CG2 4.37Å; L265-V295 CarbonylContact O-C 3.58Å; L265-V295 VanDerWaalsContact O-CA 3.31Å; L265-V295 WeakPolarHBondContact O-CA 3.08Å; L267-V295 HydrophobicContact CD1-CG1 4.02Å; L267-V295 HydrophobicContact CD2-CG1 3.96Å; L267-V295 HydrophobicContact CG-CG1 3.9Å; I273-V295 HydrophobicContact CD1-CG1 4.13Å; I273-V295 HydrophobicContact CG1-CG1 4.44Å; P292-V295 HydrophobicContact CG-CG2 3.91Å
296V97.8Very high94.1Very high0 Ų028.8 Ų28.80%016%0.16CC..EExtended strand (participates in β ladder)trans-129.7153.1171-66.70000109.8I13 I18 M264 L265 T266 L267 T298 D301 F302I13-V296 HydrophobicContact CG1-CG1 4.03Å; I18-V296 HydrophobicContact CD1-CG1 4.41Å; M264-V296 HydrophobicContact CE-CG1 4.11Å; M264-V296 HydrophobicContact CG-CG2 4.07Å; M264-V296 HydrophobicContact SD-CB 4.49Å; M264-V296 HydrophobicContact SD-CG1 3.84Å; M264-V296 HydrophobicContact SD-CG2 3.8Å; L265-V296 PolarHBondContact O-N 2.9Å; T266-V296 WeakPolarHBondContact CA-O 3.33Å; L267-V296 PolarHBondContact N-O 3.45Å; L267-V296 VanDerWaalsContact N-O 3.11Å; V296-T298 VanDerWaalsContact C-N 3.3Å; V296-D301 HydrophobicContact CB-CB 4.37Å; V296-D301 HydrophobicContact CG1-CB 4.45Å; V296-F302 HydrophobicContact CG1-CE2 4.39Å
297D97.6Very high94Very high52 Ų5230.3 Ų30.328%0.27816%0.161SC..SBendtrans-69.4-38.8175.5-74-48.9000110.4K12 R14 L267 D301K12-D297 WeakPolarHBondContact CE-OD1 3.26Å; K12-D297 WeakPolarHBondContact CE-OD2 3.41Å; K12-D297 IonicContact NZ-OD1 3.91Å; K12-D297 PolarHBondContact NZ-OD1 3.43Å; K12-D297 IonicContact NZ-OD2 2.69Å; K12-D297 PolarHBondContact NZ-OD2 3.34Å; R14-D297 IonicContact CZ-OD2 2.69Å; R14-D297 IonicContact NH2-OD2 3.6Å; R14-D297 PolarHBondContact NH2-OD2 2.8Å; L267-D297 PolarHBondContact N-O 3.04Å; D297-D301 PolarHBondContact N-OD2 3.44Å
298T97.9Very high93.4Very high28 Ų2832.4 Ų32.417%0.17217%0.17CC..  trans-154.6153.7176.7169.70000108.2T266 V296 A300 D301T266-T298 WeakPolarHBondContact OG1-CA 3.29Å; V296-T298 VanDerWaalsContact C-N 3.3Å; T298-A300 HydrophobicContact CG2-CB 3.78Å; T298-A300 PolarHBondContact O-N 2.64Å; T298-A300 PolarHBondContact OG1-N 2.83Å; T298-D301 VanDerWaalsContact O-CB 3.26Å; T298-D301 WeakPolarHBondContact O-CB 3.23Å; T298-D301 VanDerWaalsContact O-CG 3.25Å; T298-D301 PolarHBondContact O-N 3.37Å
299I97.6Very high92.6Very high0 Ų029.6 Ų29.60%016%0.158CC..G310 helixtrans-60.1-19.7173.170.8171.1000112.2F30 V35 I36 A46 V49 V245 D301 F302F30-I299 HydrophobicContact CD1-CD1 4.46Å; F30-I299 HydrophobicContact CE1-CD1 4.2Å; F30-I299 HydrophobicContact CE1-CG2 4.12Å; V35-I299 HydrophobicContact CG1-CG2 3.93Å; I36-I299 HydrophobicContact CG2-CD1 3.69Å; A46-I299 HydrophobicContact CB-CD1 3.72Å; A46-I299 HydrophobicContact CB-CG1 4.06Å; V49-I299 WeakPolarHBondContact CG2-O 3.32Å; V245-I299 HydrophobicContact CG1-CG2 3.77Å; I299-D301 PolarHBondContact O-N 3.27Å; I299-D301 VanDerWaalsContact O-N 3.12Å; I299-F302 WeakPolarHBondContact O-CB 3.33Å; I299-F302 VanDerWaalsContact O-CD2 3.28Å; I299-F302 WeakPolarHBondContact O-CD2 3.39Å; I299-F302 PolarHBondContact O-N 2.83Å; I299-F302 VanDerWaalsContact O-N 3.1Å
300A97.4Very high91.6Very high17 Ų1732.8 Ų32.814%0.1417%0.168CC..G310 helixtrans-60.9-16172.800000113.8T44 T298 F302 L303T44-A300 WeakPolarHBondContact O-CB 3.45Å; T298-A300 HydrophobicContact CG2-CB 3.78Å; T298-A300 PolarHBondContact O-N 2.64Å; T298-A300 PolarHBondContact OG1-N 2.83Å; A300-F302 PolarHBondContact O-N 2.94Å; A300-L303 HydrophobicContact CB-CD1 4.31Å; A300-L303 WeakPolarHBondContact O-CB 3.18Å; A300-L303 WeakPolarHBondContact O-CG 3.47Å; A300-L303 PolarHBondContact O-N 2.88Å
301D97.1Very high90.2Very high36 Ų3637.4 Ų37.419%0.19319%0.191CC..G310 helixtrans-61-12.5172.1-68.6-17.3000112.7I18 V296 D297 T298 I299 P304I18-D301 HydrophobicContact CD1-CB 4.05Å; I18-D301 VanDerWaalsContact CD1-O 3.28Å; I18-D301 WeakPolarHBondContact CD1-O 3.42Å; V296-D301 HydrophobicContact CB-CB 4.37Å; V296-D301 HydrophobicContact CG1-CB 4.45Å; D297-D301 PolarHBondContact N-OD2 3.44Å; T298-D301 VanDerWaalsContact O-CB 3.26Å; T298-D301 WeakPolarHBondContact O-CB 3.23Å; T298-D301 VanDerWaalsContact O-CG 3.25Å; T298-D301 PolarHBondContact O-N 3.37Å; I299-D301 PolarHBondContact O-N 3.27Å; I299-D301 VanDerWaalsContact O-N 3.12Å; D301-P304 WeakPolarHBondContact O-CD 3.43Å
302F96.6Very high88.5Confident1 Ų143 Ų430%0.00422%0.216CC..G310 helixtrans-75.9-22.3173-76.9-126.6000113.4I18 L22 F28 V49 M264 V296 I299 A300 A305 F306I18-F302 HydrophobicContact CD1-CD2 4.22Å; I18-F302 HydrophobicContact CD1-CE2 4.48Å; I18-F302 HydrophobicContact CG2-CB 4.39Å; I18-F302 HydrophobicContact CG2-CD1 3.8Å; I18-F302 HydrophobicContact CG2-CD2 4.03Å; I18-F302 HydrophobicContact CG2-CE1 4.01Å; I18-F302 HydrophobicContact CG2-CE2 4.22Å; I18-F302 HydrophobicContact CG2-CG 3.81Å; I18-F302 HydrophobicContact CG2-CZ 4.21Å; L22-F302 HydrophobicContact CD2-CD1 3.85Å; L22-F302 HydrophobicContact CD2-CE1 3.91Å; L22-F302 HydrophobicContact CG-CD1 4.35Å; L22-F302 HydrophobicContact CG-CE1 4.43Å; F28-F302 AromaticContact CE1-CE1 3.97Å; F28-F302 HydrophobicContact CE1-CE1 3.97Å; V49-F302 HydrophobicContact CG1-CB 3.88Å; V49-F302 HydrophobicContact CG1-CD1 4.41Å; V49-F302 HydrophobicContact CG1-CG 4.21Å; V49-F302 HydrophobicContact CG2-CB 4.06Å; M264-F302 HydrophobicContact CE-CE2 4.01Å; M264-F302 HydrophobicContact CE-CZ 3.86Å; M264-F302 HydrophobicContact SD-CE2 3.64Å; M264-F302 HydrophobicContact SD-CZ 3.77Å; V296-F302 HydrophobicContact CG1-CE2 4.39Å; I299-F302 WeakPolarHBondContact O-CB 3.33Å; I299-F302 VanDerWaalsContact O-CD2 3.28Å; I299-F302 WeakPolarHBondContact O-CD2 3.39Å; I299-F302 PolarHBondContact O-N 2.83Å; I299-F302 VanDerWaalsContact O-N 3.1Å; A300-F302 PolarHBondContact O-N 2.94Å; F302-A305 WeakPolarHBondContact O-CB 3.47Å; F302-A305 PolarHBondContact O-N 3.22Å; F302-A305 VanDerWaalsContact O-N 3.13Å; F302-F306 HydrophobicContact CB-CE2 3.77Å; F302-F306 HydrophobicContact CB-CZ 3.88Å; F302-F306 HydrophobicContact CD1-CZ 4.11Å; F302-F306 WeakPolarHBondContact O-CD2 3.06Å; F302-F306 PolarHBondContact O-N 3.46Å
303L95.7Very high86.6Confident40 Ų4049.1 Ų49.121%0.20925%0.249CC..Hα-helixtrans-60.4-47.4-173.8-64.7174000113.6K48 V49 A300 A305 F306 E307K48-L303 HydrophobicContact CB-CD1 4.49Å; K48-L303 HydrophobicContact CB-CD2 3.72Å; K48-L303 HydrophobicContact CD-CD1 4.43Å; V49-L303 HydrophobicContact CG2-CD2 3.59Å; V49-L303 HydrophobicContact CG2-CG 3.71Å; A300-L303 HydrophobicContact CB-CD1 4.31Å; A300-L303 WeakPolarHBondContact O-CB 3.18Å; A300-L303 WeakPolarHBondContact O-CG 3.47Å; A300-L303 PolarHBondContact O-N 2.88Å; L303-A305 PolarHBondContact O-N 3.42Å; L303-F306 HydrophobicContact CD2-CD2 4.18Å; L303-F306 WeakPolarHBondContact O-CB 3.31Å; L303-F306 PolarHBondContact O-N 3.24Å; L303-E307 PolarHBondContact O-N 3.36Å
304P93.3Very high84.1Confident61 Ų6157.9 Ų57.940%0.39630%0.295SS..Hα-helixtrans-61-31.6177.1-22.734.9000112.6D301 F306 E307 E308D301-P304 WeakPolarHBondContact O-CD 3.43Å; P304-F306 VanDerWaalsContact C-N 3.27Å; P304-F306 PolarHBondContact O-N 3.09Å; P304-E307 PolarHBondContact O-N 3.21Å; P304-E308 PolarHBondContact O-N 3.32Å
305A90.8Very high83.5Confident0 Ų060.2 Ų60.20%031%0.308CS..Hα-helixtrans-69.2-25.7177.600000112.5I18 R19 L22 F302 L303 I309I18-A305 HydrophobicContact CB-CB 4.15Å; I18-A305 HydrophobicContact CG2-CB 3.87Å; R19-A305 HydrophobicContact CG-CB 3.74Å; L22-A305 HydrophobicContact CD1-CB 4.11Å; F302-A305 WeakPolarHBondContact O-CB 3.47Å; F302-A305 PolarHBondContact O-N 3.22Å; F302-A305 VanDerWaalsContact O-N 3.13Å; L303-A305 PolarHBondContact O-N 3.42Å; A305-I309 WeakPolarHBondContact O-CD1 3.34Å; A305-I309 WeakPolarHBondContact O-CG1 3.4Å
306F88.8Confident82.7Confident7 Ų763.4 Ų63.43%0.03132%0.324CS..Hα-helixtrans-78.2-39.8175.2-63.1-39.4000113L22 V49 A52 L53 R56 F302 L303 P304 I309 E310L22-F306 HydrophobicContact CD1-CD1 3.85Å; L22-F306 HydrophobicContact CD1-CE1 3.46Å; L22-F306 VanDerWaalsContact CD1-CE1 3.46Å; L22-F306 HydrophobicContact CD1-CZ 4.35Å; L22-F306 HydrophobicContact CD2-CE1 3.77Å; L22-F306 HydrophobicContact CD2-CZ 4.26Å; L22-F306 HydrophobicContact CG-CE1 4.28Å; V49-F306 HydrophobicContact CB-CE2 4.31Å; V49-F306 HydrophobicContact CG1-CE2 4.06Å; V49-F306 HydrophobicContact CG1-CZ 4.31Å; V49-F306 HydrophobicContact CG2-CE2 4.26Å; A52-F306 HydrophobicContact CB-CD2 3.75Å; A52-F306 HydrophobicContact CB-CE2 3.74Å; A52-F306 HydrophobicContact CB-CG 4.32Å; A52-F306 HydrophobicContact CB-CZ 4.27Å; L53-F306 HydrophobicContact CD2-CE1 4.12Å; L53-F306 HydrophobicContact CD2-CZ 3.87Å; L53-F306 HydrophobicContact CG-CZ 3.97Å; R56-F306 PolarHBondContact NH2-O 2.91Å; F302-F306 HydrophobicContact CB-CE2 3.77Å; F302-F306 HydrophobicContact CB-CZ 3.88Å; F302-F306 HydrophobicContact CD1-CZ 4.11Å; F302-F306 WeakPolarHBondContact O-CD2 3.06Å; F302-F306 PolarHBondContact O-N 3.46Å; L303-F306 HydrophobicContact CD2-CD2 4.18Å; L303-F306 WeakPolarHBondContact O-CB 3.31Å; L303-F306 PolarHBondContact O-N 3.24Å; P304-F306 VanDerWaalsContact C-N 3.27Å; P304-F306 PolarHBondContact O-N 3.09Å; F306-I309 PolarHBondContact O-N 3.15Å; F306-E310 PolarHBondContact O-N 3.23Å
307E81.3Confident81.9Confident123 Ų12366.9 Ų66.958%0.57534%0.342SS*.Hα-helixtrans-63.7-46.4180-67.9173.1177.900111L303 P304 I309 E310 E311L303-E307 PolarHBondContact O-N 3.36Å; P304-E307 PolarHBondContact O-N 3.21Å; E307-I309 PolarHBondContact O-N 2.95Å; E307-E310 PolarHBondContact O-N 2.99Å; E307-E310 VanDerWaalsContact O-N 3.11Å; E307-E311 PolarHBondContact O-N 3.23Å; E307-E311 VanDerWaalsContact O-N 3.09Å
308E73.7Confident81Confident71 Ų7167.8 Ų67.833%0.33235%0.346SS..Hα-helixtrans-65.5-24.2177.7-70.8179.9-133.700113.6R19 P304 Q312R19-E308 IonicContact CZ-OE2 3.82Å; R19-E308 IonicContact NH1-OE1 2.69Å; R19-E308 PolarHBondContact NH1-OE1 2.95Å; R19-E308 IonicContact NH1-OE2 3.01Å; R19-E308 PolarHBondContact NH1-OE2 2.69Å; R19-E308 IonicContact NH2-OE2 3.41Å; R19-E308 PolarHBondContact NH2-OE2 3.43Å; P304-E308 PolarHBondContact O-N 3.32Å; E308-Q312 WeakPolarHBondContact O-CG 3.49Å; E308-Q312 PolarHBondContact O-N 2.86Å
309I70.5Confident79.9Confident38 Ų3870.3 Ų70.320%0.19536%0.357CS..Hα-helixtrans-76.6-36174.5-69.2168.3000110.4R19 L22 A305 F306 E307 Q312 N313R19-I309 HydrophobicContact CG-CD1 4.17Å; R19-I309 HydrophobicContact CG-CG1 4.32Å; L22-I309 HydrophobicContact CD1-CD1 4.47Å; A305-I309 WeakPolarHBondContact O-CD1 3.34Å; A305-I309 WeakPolarHBondContact O-CG1 3.4Å; F306-I309 PolarHBondContact O-N 3.15Å; E307-I309 PolarHBondContact O-N 2.95Å; I309-Q312 PolarHBondContact O-N 2.71Å; I309-N313 PolarHBondContact O-N 2.7Å; I309-N313 PolarHBondContact O-ND2 2.83Å
310E70.8Confident78.7Confident106 Ų10674.9 Ų74.950%0.49538%0.381SS..Hα-helixtrans-66.6-43.2176.6-71.7173.4-168.900110.2R56 F306 E307 Q312 N313 D314R56-E310 IonicContact CZ-OE1 2.89Å; R56-E310 IonicContact NH1-OE1 3.48Å; R56-E310 IonicContact NH2-OE1 2.63Å; R56-E310 PolarHBondContact NH2-OE1 2.94Å; F306-E310 PolarHBondContact O-N 3.23Å; E307-E310 PolarHBondContact O-N 2.99Å; E307-E310 VanDerWaalsContact O-N 3.11Å; E310-Q312 PolarHBondContact O-N 3.13Å; E310-N313 PolarHBondContact O-N 3.42Å; E310-N313 VanDerWaalsContact O-N 3.13Å; E310-D314 PolarHBondContact O-N 3.08Å
311E64.4Low77.4Confident151 Ų15179.1 Ų79.171%0.70640%0.398SS*.Hα-helixtrans-63.7-21.8176.3-68.8-177.9173.500114.8E307E307-E311 PolarHBondContact O-N 3.23Å; E307-E311 VanDerWaalsContact O-N 3.09Å
312Q59Low75.9Confident140 Ų14082.4 Ų82.465%0.65441%0.414SS*.Hα-helixtrans-88.1-15.1177.2-74177.516.800113.7E308 I309 E310E308-Q312 WeakPolarHBondContact O-CG 3.49Å; E308-Q312 PolarHBondContact O-N 2.86Å; I309-Q312 PolarHBondContact O-N 2.71Å; E310-Q312 PolarHBondContact O-N 3.13Å
313N57.3Low74.2Confident129 Ų12989.2 Ų89.269%0.6945%0.448SS*.Hα-helixtrans-102-7.6-178.6-72.1-54.5000113.4I309 E310I309-N313 PolarHBondContact O-N 2.7Å; I309-N313 PolarHBondContact O-ND2 2.83Å; E310-N313 PolarHBondContact O-N 3.42Å; E310-N313 VanDerWaalsContact O-N 3.13Å
314D44.4Very low72.2Confident204 Ų20493.6 Ų93.6100%1.09147%0.469SS*.  trans-920169.6-77.5-18.6000112E310E310-D314 PolarHBondContact O-N 3.08Å

Retrieved 314 of 314 residues in 405.3 ms (Link to these results)

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