A0A087XHY7_POEFO Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A087XHY7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 825 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
1S73.9Confident85.1Confident73 Ų7346 Ų4651%0.5122%0.223SC..  0145.90420000107.9
2D84.2Confident82.9Confident21 Ų2148.8 Ų48.811%0.11227%0.273CS..  trans-109.6-30.9-168.6-58.6-32.8000111.5L55 R138 H139 L142 P175 L176D2-L55 PolarHBondContact N-O 3.42Å; D2-R138 IonicContact OD1-NE 3.46Å; D2-R138 PolarHBondContact OD1-NE 3.39Å; D2-R138 IonicContact OD1-NH2 3.96Å; D2-R138 IonicContact OD2-CZ 3.68Å; D2-R138 VanDerWaalsContact OD2-CZ 3.28Å; D2-R138 IonicContact OD2-NE 3.91Å; D2-R138 PolarHBondContact OD2-NE 3.02Å; D2-R138 IonicContact OD2-NH2 2.9Å; D2-R138 PolarHBondContact OD2-NH2 3.47Å; D2-H139 PolarHBondContact O-CD2 3.11Å; D2-H139 PolarHBondContact O-NE2 3.03Å; D2-H139 VanDerWaalsContact O-NE2 3.12Å; D2-L142 HydrophobicContact CB-CD1 3.37Å; D2-P175 WeakPolarHBondContact O-CA 3.43Å; D2-L176 PolarHBondContact O-N 3.23Å
3F92.5Very high80.9Confident1 Ų152.8 Ų52.80%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-135.9151.6-177.2-142.5-86000111.4L55 L142 Y143 L146 A173 P175 V636F3-L55 HydrophobicContact CB-CB 4.14Å; F3-L55 HydrophobicContact CB-CD1 4.49Å; F3-L55 PolarHBondContact N-O 2.75Å; F3-L55 PolarHBondContact O-N 3.42Å; F3-L142 HydrophobicContact CB-CD1 4.17Å; F3-L142 HydrophobicContact CD2-CB 4.37Å; F3-Y143 HydrophobicContact CZ-CD2 4.2Å; F3-L146 HydrophobicContact CD1-CD1 3.57Å; F3-L146 HydrophobicContact CE1-CD1 3.55Å; F3-L146 HydrophobicContact CG-CD1 4.15Å; F3-L146 HydrophobicContact CZ-CD1 4.1Å; F3-A173 HydrophobicContact CE1-CB 3.95Å; F3-P175 HydrophobicContact CD2-CB 4.07Å; F3-P175 HydrophobicContact CE2-CB 4.12Å; F3-P175 HydrophobicContact CE2-CG 4.33Å; F3-V636 HydrophobicContact CE2-CG2 4.22Å; F3-V636 HydrophobicContact CZ-CG2 4.1Å
4V94.2Very high78.9Confident0 Ų060.2 Ų60.20%034%0.337CS..EExtended strand (participates in β ladder)trans-129.3132.8-179.3-173.90000111.1V6 F52 I53 L54 A173 Y174 L176 W573V4-V6 HydrophobicContact CG1-CG2 3.8Å; V4-F52 HydrophobicContact CG1-CB 4.47Å; V4-F52 HydrophobicContact CG1-CD1 3.96Å; V4-I53 WeakPolarHBondContact CA-O 3.37Å; V4-L54 HydrophobicContact CG1-CD2 4.31Å; V4-L54 HydrophobicContact CG2-CD2 3.68Å; V4-A173 VanDerWaalsContact O-CA 3.31Å; V4-A173 WeakPolarHBondContact O-CA 3.28Å; V4-Y174 HydrophobicContact CB-CE2 4.24Å; V4-Y174 PolarHBondContact N-O 3.13Å; V4-Y174 PolarHBondContact O-N 2.9Å; V4-L176 HydrophobicContact CG2-CD1 3.79Å; V4-L176 HydrophobicContact CG2-CD2 3.62Å; V4-L176 HydrophobicContact CG2-CG 3.64Å; V4-W573 HydrophobicContact CG1-CB 4.41Å; V4-W573 HydrophobicContact CG2-CB 4.06Å
5L94.3Very high77Confident0 Ų067.9 Ų67.90%037%0.369CS..EExtended strand (participates in β ladder)trans-107.8136.5166.4-54.7179.6000109.5F27 L28 L31 I53 L55 L146 I161 F170 A173L5-F27 HydrophobicContact CD1-CE1 4.32Å; L5-L28 HydrophobicContact CD1-CD2 4.14Å; L5-L31 HydrophobicContact CD1-CD1 4.32Å; L5-I53 HydrophobicContact CB-CB 4.28Å; L5-I53 PolarHBondContact N-O 3.49Å; L5-I53 PolarHBondContact O-N 2.96Å; L5-L55 HydrophobicContact CD1-CD1 3.94Å; L5-L55 HydrophobicContact CD2-CD1 4.44Å; L5-L55 HydrophobicContact CG-CD1 3.88Å; L5-L146 HydrophobicContact CD1-CD2 4.34Å; L5-L146 HydrophobicContact CD2-CD1 4.36Å; L5-L146 HydrophobicContact CD2-CD2 4.46Å; L5-I161 HydrophobicContact CD2-CD1 3.93Å; L5-I161 HydrophobicContact CD2-CG1 4.22Å; L5-F170 HydrophobicContact CB-CD1 4.27Å; L5-F170 HydrophobicContact CB-CE1 4.15Å; L5-F170 HydrophobicContact CD1-CE1 4.36Å; L5-F170 HydrophobicContact CD1-CZ 4.18Å; L5-A173 HydrophobicContact CD2-CB 3.5Å; L5-A173 VanDerWaalsContact CD2-CB 3.5Å
6V92.8Very high75.4Confident0 Ų073.3 Ų73.30%040%0.398CS..EExtended strand (participates in β ladder)trans-129.2138.9-177.1-170.30000110.9V4 I50 H51 F52 F170 T171 A172 Y174 Y577V4-V6 HydrophobicContact CG1-CG2 3.8Å; V6-I50 HydrophobicContact CG1-CG2 3.6Å; V6-H51 WeakPolarHBondContact CA-O 3.35Å; V6-F52 HydrophobicContact CG1-CD1 4.24Å; V6-F52 HydrophobicContact CG1-CE1 4.02Å; V6-F52 HydrophobicContact CG1-CZ 4.49Å; V6-F52 HydrophobicContact CG2-CD1 3.57Å; V6-F52 HydrophobicContact CG2-CE1 3.73Å; V6-F170 CarbonylContact O-C 3.59Å; V6-T171 PolarHBondContact O-N 3.46Å; V6-A172 HydrophobicContact CB-CB 4.37Å; V6-A172 PolarHBondContact N-O 3.08Å; V6-A172 PolarHBondContact O-N 3.01Å; V6-Y174 HydrophobicContact CG2-CE1 3.84Å; V6-Y577 HydrophobicContact CB-CD2 4.34Å; V6-Y577 HydrophobicContact CB-CE2 4.03Å; V6-Y577 HydrophobicContact CG1-CD2 4.12Å; V6-Y577 HydrophobicContact CG1-CE1 4.4Å; V6-Y577 HydrophobicContact CG1-CE2 3.68Å; V6-Y577 HydrophobicContact CG2-CD2 4.04Å; V6-Y577 HydrophobicContact CG2-CE2 4.24Å
7W91.8Very high74.7Confident10 Ų1070.5 Ų70.54%0.03839%0.391CS..EExtended strand (participates in β ladder)trans-141.5156.2162.674.593000111.5E9 R24 H51 I53 F170W7-E9 PolarHBondContact NE1-OE1 3.25Å; W7-R24 VanDerWaalsContact CG-CZ 3.41Å; W7-H51 HydrophobicContact CD2-CB 3.63Å; W7-H51 AromaticContact CE2-CD2 3.7Å; W7-H51 AromaticContact CE2-CG 3.47Å; W7-H51 VanDerWaalsContact CE2-CG 3.47Å; W7-H51 HydrophobicContact CE3-CB 3.75Å; W7-H51 HydrophobicContact CG-CB 4.44Å; W7-H51 HydrophobicContact CH2-CB 3.35Å; W7-H51 AromaticContact CH2-CG 3.95Å; W7-H51 HydrophobicContact CZ2-CB 3.2Å; W7-H51 AromaticContact CZ2-CD2 3.96Å; W7-H51 AromaticContact CZ2-CG 3.33Å; W7-H51 AromaticContact CZ2-ND1 3.67Å; W7-H51 HydrophobicContact CZ3-CB 3.59Å; W7-H51 PolarHBondContact N-O 2.78Å; W7-H51 AromaticContact NE1-CD2 3.38Å; W7-H51 PolarHBondContact NE1-CD2 3Å; W7-H51 AromaticContact NE1-CG 3.68Å; W7-H51 PolarHBondContact O-N 3.38Å; W7-I53 HydrophobicContact CH2-CD1 3.63Å; W7-I53 HydrophobicContact CH2-CG1 4.01Å; W7-I53 HydrophobicContact CZ3-CD1 3.35Å; W7-I53 HydrophobicContact CZ3-CG1 3.65Å; W7-F170 HydrophobicContact CB-CD1 4.33Å; W7-F170 HydrophobicContact CE3-CD1 4.1Å; W7-F170 AromaticContact CE3-CE1 3.86Å; W7-F170 HydrophobicContact CE3-CE1 3.86Å; W7-F170 HydrophobicContact CZ3-CE1 4.3Å
8E87.5Confident75Confident58 Ų5870.8 Ų70.827%0.27140%0.404SS..EExtended strand (participates in β ladder)trans-110134.7179.1-57.7-175.8178.800110.9K48 I50 T171 Y577E8-K48 WeakPolarHBondContact OE2-CD 3.48Å; E8-K48 IonicContact OE2-NZ 3.62Å; E8-K48 PolarHBondContact OE2-NZ 2.88Å; E8-I50 HydrophobicContact CG-CG1 4.37Å; E8-T171 HydrophobicContact CG-CG2 4.48Å; E8-T171 PolarHBondContact N-OG1 2.8Å; E8-Y577 PolarHBondContact OE1-OH 3.22Å
9E83.3Confident75.4Confident72 Ų7271.5 Ų71.534%0.33641%0.409SS..EExtended strand (participates in β ladder)trans-114.5122.4171.1-69.7178.6-171.400109.8W7 R24 K48 R49 H51W7-E9 PolarHBondContact NE1-OE1 3.25Å; E9-R24 IonicContact OE1-NH1 3.6Å; E9-K48 CarbonylContact O-C 3.55Å; E9-K48 WeakPolarHBondContact O-CA 3.43Å; E9-R49 HydrophobicContact CB-CB 4.35Å; E9-R49 PolarHBondContact N-O 2.92Å; E9-R49 PolarHBondContact O-N 3.25Å; E9-H51 IonicContact OE1-NE2 3.91Å; E9-H51 IonicContact OE2-NE2 2.82Å; E9-H51 PolarHBondContact OE2-NE2 3.43Å
10L77.5Confident75.9Confident110 Ų11071.1 Ų71.158%0.57640%0.404SS*.EExtended strand (participates in β ladder)trans-77.4129.5174.7-79.6152.4000109.8G12 K48L10-G12 PolarHBondContact O-N 3.02Å; L10-K48 HydrophobicContact CD2-CG 4.03Å
11R64.7Low76.4Confident161 Ų16174.8 Ų74.861%0.60841%0.411SS*.THydrogen-bonded Turntrans-69.7114.6174.1-76.3-176.7176.4-176.8-1.6109.5K47R11-K47 PolarHBondContact N-O 3.37Å
12G57.8Low77.2Confident79 Ų7977.9 Ų77.981%0.81442%0.416SS*.THydrogen-bonded Turntrans112.3-0.3168.500000117.4L10L10-G12 PolarHBondContact O-N 3.02Å
13V57.1Low77.5Confident102 Ų10279.7 Ų79.762%0.61842%0.421SS*.  trans-121.3101.4175.1-176.80000108.8
14N52.7Low77.5Confident156 Ų15680.8 Ų80.883%0.83443%0.425SS*.  trans-102.4-5.8-174-97.1-8.6000114.9
15E51.2Low77.4Confident175 Ų17585.1 Ų85.182%0.81845%0.445SS*.SBendtrans-101.4-17.9-159.5-64.9-167156.300116.6
16N51.3Low77.3Confident154 Ų15488.1 Ų88.182%0.82446%0.459SS*.SBendtrans-96.9-0.8-176.9-71-7.3000115.3
17G64.1Low77.4Confident27 Ų2788.1 Ų88.128%0.27846%0.459SS..  trans-110.73.6-16600000117.5T19 Q20 R21G17-T19 VanDerWaalsContact C-N 3.33Å; G17-T19 PolarHBondContact O-N 3.45Å; G17-Q20 PolarHBondContact O-N 3.12Å; G17-R21 WeakPolarHBondContact O-CB 3.44Å; G17-R21 PolarHBondContact O-N 3.16Å
18A78.4Confident77.5Confident76 Ų7688.8 Ų88.863%0.62846%0.463SS*.Hα-helixtrans-59.9-40.6-171.800000113.3K22A18-K22 WeakPolarHBondContact O-CB 3.45Å; A18-K22 PolarHBondContact O-N 3.14Å
19T83.4Confident77.9Confident83 Ų8393.5 Ų93.551%0.50948%0.479SS..Hα-helixtrans-68.6-46.7177.2-52.30000111.9G17 R21 K22 W23G17-T19 VanDerWaalsContact C-N 3.33Å; G17-T19 PolarHBondContact O-N 3.45Å; T19-R21 VanDerWaalsContact C-N 3.31Å; T19-R21 PolarHBondContact O-N 2.85Å; T19-K22 WeakPolarHBondContact O-CB 3.46Å; T19-K22 PolarHBondContact O-N 2.89Å; T19-W23 HydrophobicContact CG2-CD2 4.01Å; T19-W23 HydrophobicContact CG2-CE3 4.39Å; T19-W23 HydrophobicContact CG2-CH2 4Å; T19-W23 HydrophobicContact CG2-CZ2 3.56Å; T19-W23 HydrophobicContact CG2-CZ3 4.39Å; T19-W23 PolarHBondContact O-N 3.32Å
20Q85.3Confident78.4Confident64 Ų6492.9 Ų92.930%0.29947%0.473SS..Hα-helixtrans-61-41.2177.5-66.9178.9-35.700111.2G17 W23 R24 E167 V169G17-Q20 PolarHBondContact O-N 3.12Å; Q20-W23 PolarHBondContact O-N 3.19Å; Q20-R24 WeakPolarHBondContact O-CB 3.46Å; Q20-R24 PolarHBondContact O-N 3.36Å; Q20-E167 PolarHBondContact NE2-O 3Å; Q20-V169 HydrophobicContact CB-CG2 4.15Å; Q20-V169 HydrophobicContact CG-CG2 4.06Å; Q20-V169 WeakPolarHBondContact O-CG1 3.46Å
21R87.4Confident79.1Confident149 Ų14987.6 Ų87.656%0.56245%0.446SS*.Hα-helixtrans-62.3-44.8174.8-176.3175.51771663.4111.7G17 T19 W23 R24 E25G17-R21 WeakPolarHBondContact O-CB 3.44Å; G17-R21 PolarHBondContact O-N 3.16Å; T19-R21 VanDerWaalsContact C-N 3.31Å; T19-R21 PolarHBondContact O-N 2.85Å; R21-W23 PolarHBondContact O-N 2.89Å; R21-R24 WeakPolarHBondContact O-CB 3.15Å; R21-R24 PolarHBondContact O-N 3.36Å; R21-E25 HydrophobicContact CG-CG 4.46Å; R21-E25 WeakPolarHBondContact CG-OE1 3.45Å; R21-E25 IonicContact CZ-OE1 3.22Å; R21-E25 IonicContact NE-OE1 3.54Å; R21-E25 PolarHBondContact NE-OE1 2.98Å; R21-E25 IonicContact NH2-OE1 3.83Å; R21-E25 WeakPolarHBondContact O-CG 3.5Å; R21-E25 PolarHBondContact O-N 3.19Å
22K90.1Very high80.5Confident137 Ų13787.2 Ų87.260%0.59645%0.448SS*.Hα-helixtrans-59.9-46.2176.1-175.7-179.2178.4-1790111.7A18 T19 E25 Q26A18-K22 WeakPolarHBondContact O-CB 3.45Å; A18-K22 PolarHBondContact O-N 3.14Å; T19-K22 WeakPolarHBondContact O-CB 3.46Å; T19-K22 PolarHBondContact O-N 2.89Å; K22-E25 PolarHBondContact O-N 3.09Å; K22-Q26 VanDerWaalsContact O-CB 3.27Å; K22-Q26 WeakPolarHBondContact O-CB 3.5Å; K22-Q26 PolarHBondContact O-N 3.13Å
23W90.5Very high82.2Confident59 Ų5989.9 Ų89.922%0.22344%0.44CS..Hα-helixtrans-61.1-44176.4-68-23.3000111.9T19 Q20 R21 Q26 F27 Y151 L164 E167 V169T19-W23 HydrophobicContact CG2-CD2 4.01Å; T19-W23 HydrophobicContact CG2-CE3 4.39Å; T19-W23 HydrophobicContact CG2-CH2 4Å; T19-W23 HydrophobicContact CG2-CZ2 3.56Å; T19-W23 HydrophobicContact CG2-CZ3 4.39Å; T19-W23 PolarHBondContact O-N 3.32Å; Q20-W23 PolarHBondContact O-N 3.19Å; R21-W23 PolarHBondContact O-N 2.89Å; W23-Q26 PolarHBondContact O-N 3.37Å; W23-F27 VanDerWaalsContact O-CB 3.32Å; W23-F27 WeakPolarHBondContact O-CB 3.05Å; W23-F27 PolarHBondContact O-N 2.89Å; W23-Y151 HydrophobicContact CB-CD2 3.9Å; W23-Y151 HydrophobicContact CB-CE2 4.42Å; W23-Y151 AromaticContact CD1-CD2 4Å; W23-Y151 HydrophobicContact CD2-CD2 4.22Å; W23-Y151 AromaticContact CD2-CE2 3.98Å; W23-Y151 HydrophobicContact CD2-CE2 3.98Å; W23-Y151 HydrophobicContact CE3-CE2 4.26Å; W23-Y151 AromaticContact CG-CD2 3.8Å; W23-Y151 HydrophobicContact CG-CD2 3.8Å; W23-Y151 HydrophobicContact CG-CE2 4.07Å; W23-L164 HydrophobicContact CB-CD2 4.39Å; W23-E167 VanDerWaalsContact CZ3-OE2 3.26Å; W23-E167 WeakPolarHBondContact CZ3-OE2 3.3Å; W23-V169 HydrophobicContact CE3-CG2 3.94Å
24R91.9Very high83.8Confident25 Ų2587.5 Ų87.59%0.09443%0.425CS..Hα-helixtrans-59.4-52.3176.3-169.2-174.9-61145.90.3112W7 E9 Q20 R21 Q26 F27 L28 V169 F170W7-R24 VanDerWaalsContact CG-CZ 3.41Å; E9-R24 IonicContact OE1-NH1 3.6Å; Q20-R24 WeakPolarHBondContact O-CB 3.46Å; Q20-R24 PolarHBondContact O-N 3.36Å; R21-R24 WeakPolarHBondContact O-CB 3.15Å; R21-R24 PolarHBondContact O-N 3.36Å; R24-Q26 VanDerWaalsContact C-N 3.3Å; R24-Q26 PolarHBondContact O-N 3.07Å; R24-F27 PolarHBondContact O-N 3.47Å; R24-L28 HydrophobicContact CG-CD1 4.14Å; R24-L28 VanDerWaalsContact O-CG 3.31Å; R24-L28 WeakPolarHBondContact O-CG 3.46Å; R24-L28 PolarHBondContact O-N 3.29Å; R24-V169 HydrophobicContact CB-CG1 3.9Å; R24-V169 PolarHBondContact NE-O 2.9Å; R24-V169 PolarHBondContact NH2-O 3.27Å; R24-F170 HydrophobicContact CG-CE1 3.85Å; R24-F170 HydrophobicContact CG-CE2 4.38Å; R24-F170 HydrophobicContact CG-CZ 3.65Å
25E92.2Very high85.7Confident91 Ų9181.7 Ų81.743%0.42540%0.402SS..Hα-helixtrans-62.5-38.7-179.8-72.4177-168.800111.6R21 K22 R29R21-E25 HydrophobicContact CG-CG 4.46Å; R21-E25 WeakPolarHBondContact CG-OE1 3.45Å; R21-E25 IonicContact CZ-OE1 3.22Å; R21-E25 IonicContact NE-OE1 3.54Å; R21-E25 PolarHBondContact NE-OE1 2.98Å; R21-E25 IonicContact NH2-OE1 3.83Å; R21-E25 WeakPolarHBondContact O-CG 3.5Å; R21-E25 PolarHBondContact O-N 3.19Å; K22-E25 PolarHBondContact O-N 3.09Å; E25-R29 VanDerWaalsContact O-CB 3.24Å; E25-R29 WeakPolarHBondContact O-CB 3.37Å; E25-R29 PolarHBondContact O-N 3.18Å
26Q93.4Very high87.7Confident62 Ų6273.6 Ų73.629%0.2936%0.364SS..Hα-helixtrans-67.4-42.3177.2-173.5164.63.800112.1K22 W23 R24 R30 Y151K22-Q26 VanDerWaalsContact O-CB 3.27Å; K22-Q26 WeakPolarHBondContact O-CB 3.5Å; K22-Q26 PolarHBondContact O-N 3.13Å; W23-Q26 PolarHBondContact O-N 3.37Å; R24-Q26 VanDerWaalsContact C-N 3.3Å; R24-Q26 PolarHBondContact O-N 3.07Å; Q26-R30 WeakPolarHBondContact O-CG 3.3Å; Q26-R30 PolarHBondContact O-N 3.12Å; Q26-Y151 WeakPolarHBondContact CG-O 3.44Å; Q26-Y151 PolarHBondContact OE1-O 3.05Å
27F93.9Very high89.7Confident0 Ų071 Ų710%035%0.35CS..Hα-helixtrans-61.7-51.3176.2-173.3-108.7000111.4L5 W23 R24 R29 R30 L31 L146 T149 I161 L164 F170L5-F27 HydrophobicContact CD1-CE1 4.32Å; W23-F27 VanDerWaalsContact O-CB 3.32Å; W23-F27 WeakPolarHBondContact O-CB 3.05Å; W23-F27 PolarHBondContact O-N 2.89Å; R24-F27 PolarHBondContact O-N 3.47Å; F27-R29 VanDerWaalsContact C-N 3.33Å; F27-R29 PolarHBondContact O-N 2.88Å; F27-R30 PolarHBondContact O-N 3.13Å; F27-R30 VanDerWaalsContact O-N 3.15Å; F27-L31 HydrophobicContact CD1-CD1 3.79Å; F27-L31 HydrophobicContact CD1-CG 4.42Å; F27-L31 HydrophobicContact CE1-CD1 3.53Å; F27-L31 HydrophobicContact CE1-CG 4.26Å; F27-L31 HydrophobicContact CZ-CD1 4.18Å; F27-L31 WeakPolarHBondContact O-CG 3.5Å; F27-L31 PolarHBondContact O-N 2.91Å; F27-L146 HydrophobicContact CE1-CD2 4.11Å; F27-L146 HydrophobicContact CZ-CD2 4.1Å; F27-T149 WeakPolarHBondContact CE2-OG1 3.3Å; F27-T149 WeakPolarHBondContact CZ-OG1 3.27Å; F27-I161 HydrophobicContact CE1-CD1 4.02Å; F27-I161 HydrophobicContact CZ-CB 4.24Å; F27-I161 HydrophobicContact CZ-CD1 4.29Å; F27-L164 HydrophobicContact CB-CD1 4.22Å; F27-L164 HydrophobicContact CD1-CD1 3.95Å; F27-L164 HydrophobicContact CD2-CD1 3.69Å; F27-L164 HydrophobicContact CE1-CD1 4.16Å; F27-L164 HydrophobicContact CE2-CD1 3.89Å; F27-L164 HydrophobicContact CG-CD1 3.69Å; F27-L164 HydrophobicContact CZ-CD1 4.14Å; F27-F170 AromaticContact CD1-CE2 3.75Å; F27-F170 HydrophobicContact CD1-CE2 3.75Å; F27-F170 HydrophobicContact CD1-CZ 4.14Å; F27-F170 HydrophobicContact CE1-CE2 4.13Å
28L94.3Very high91.1Very high24 Ų2472.5 Ų72.513%0.12635%0.35CS..Hα-helixtrans-61.8-39.9179-66.1174.3000112.4L5 R24 R30 L31 K32 Q38 I53 F170L5-L28 HydrophobicContact CD1-CD2 4.14Å; R24-L28 HydrophobicContact CG-CD1 4.14Å; R24-L28 VanDerWaalsContact O-CG 3.31Å; R24-L28 WeakPolarHBondContact O-CG 3.46Å; R24-L28 PolarHBondContact O-N 3.29Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.13Å; L28-L31 HydrophobicContact CD2-CD1 4.3Å; L28-L31 PolarHBondContact O-N 3.41Å; L28-K32 PolarHBondContact O-N 3.31Å; L28-Q38 PolarHBondContact O-NE2 3.21Å; L28-I53 HydrophobicContact CD1-CD1 3.3Å; L28-I53 HydrophobicContact CD2-CD1 3.43Å; L28-I53 VanDerWaalsContact CD2-CD1 3.43Å; L28-I53 HydrophobicContact CD2-CG2 4.49Å; L28-I53 HydrophobicContact CG-CD1 3.99Å; L28-F170 HydrophobicContact CD2-CZ 4.25Å; L28-F170 HydrophobicContact CG-CZ 4.42Å
29R94.6Very high91.8Very high157 Ų15773.9 Ų73.959%0.59234%0.343SS*.Hα-helixtrans-61.1-43.4175.3-173.5-177.3-62.1163.12.7111.5E25 F27 K32 Q33E25-R29 VanDerWaalsContact O-CB 3.24Å; E25-R29 WeakPolarHBondContact O-CB 3.37Å; E25-R29 PolarHBondContact O-N 3.18Å; F27-R29 VanDerWaalsContact C-N 3.33Å; F27-R29 PolarHBondContact O-N 2.88Å; R29-K32 PolarHBondContact O-N 3.06Å; R29-Q33 WeakPolarHBondContact O-CG 3.14Å; R29-Q33 PolarHBondContact O-N 2.96Å
30R93.9Very high92.1Very high59 Ų5975.3 Ų75.322%0.22334%0.344CS..Hα-helixtrans-67.2-40.1177.4-74.3177.1-173.5-107.216.1112Q26 F27 L28 K32 Q33 V34 P150Q26-R30 WeakPolarHBondContact O-CG 3.3Å; Q26-R30 PolarHBondContact O-N 3.12Å; F27-R30 PolarHBondContact O-N 3.13Å; F27-R30 VanDerWaalsContact O-N 3.15Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.13Å; R30-K32 PolarHBondContact O-N 3.29Å; R30-Q33 WeakPolarHBondContact O-CB 3.4Å; R30-Q33 PolarHBondContact O-N 2.92Å; R30-V34 WeakPolarHBondContact O-CG2 3.22Å; R30-V34 PolarHBondContact O-N 3.46Å; R30-P150 WeakPolarHBondContact CD-O 3.19Å; R30-P150 PolarHBondContact NE-O 3.5Å; R30-P150 VanDerWaalsContact NE-O 3.11Å
31L94Very high92.3Very high0 Ų078.3 Ų78.30%035%0.353CS..Hα-helixtrans-58.1-38.4173-70.4174.7000111.8L5 F27 L28 V34 G35 L36 I145 L146 T149L5-L31 HydrophobicContact CD1-CD1 4.32Å; F27-L31 HydrophobicContact CD1-CD1 3.79Å; F27-L31 HydrophobicContact CD1-CG 4.42Å; F27-L31 HydrophobicContact CE1-CD1 3.53Å; F27-L31 HydrophobicContact CE1-CG 4.26Å; F27-L31 HydrophobicContact CZ-CD1 4.18Å; F27-L31 WeakPolarHBondContact O-CG 3.5Å; F27-L31 PolarHBondContact O-N 2.91Å; L28-L31 HydrophobicContact CD2-CD1 4.3Å; L28-L31 PolarHBondContact O-N 3.41Å; L31-V34 PolarHBondContact O-N 3.32Å; L31-G35 PolarHBondContact O-N 3.03Å; L31-L36 HydrophobicContact CB-CD1 4.16Å; L31-L36 HydrophobicContact CD2-CD1 3.64Å; L31-L36 HydrophobicContact CG-CD1 4.41Å; L31-L36 WeakPolarHBondContact O-CB 3.39Å; L31-L36 PolarHBondContact O-N 3.11Å; L31-I145 HydrophobicContact CD2-CG2 4.04Å; L31-L146 HydrophobicContact CD1-CD2 3.77Å; L31-L146 HydrophobicContact CD2-CD2 3.86Å; L31-L146 HydrophobicContact CG-CD2 4.5Å; L31-T149 HydrophobicContact CD2-CG2 3.79Å
32K93.4Very high92.2Very high152 Ų15274.1 Ų74.166%0.66134%0.343SS*.Hα-helixtrans-69.4-35.9175.7-167.4172.9-177.6174.40112L28 R29 R30 V34 G35L28-K32 PolarHBondContact O-N 3.31Å; R29-K32 PolarHBondContact O-N 3.06Å; R30-K32 PolarHBondContact O-N 3.29Å; K32-V34 VanDerWaalsContact C-N 3.35Å; K32-G35 PolarHBondContact O-N 3.06Å; K32-G35 VanDerWaalsContact O-N 3.12Å
33Q92.9Very high91.8Very high136 Ų13669.3 Ų69.364%0.63633%0.325SS*.Hα-helixtrans-66.7-33.4174-72.1172.1-12.700113R29 R30 G35R29-Q33 WeakPolarHBondContact O-CG 3.14Å; R29-Q33 PolarHBondContact O-N 2.96Å; R30-Q33 WeakPolarHBondContact O-CB 3.4Å; R30-Q33 PolarHBondContact O-N 2.92Å; Q33-G35 PolarHBondContact O-N 2.85Å
34V91.1Very high91Very high51 Ų5169.4 Ų69.431%0.30934%0.335SS..Hα-helixtrans-66.9-19.3172.4173.30000111.6R30 L31 K32 L61 Y65 I145 T149R30-V34 WeakPolarHBondContact O-CG2 3.22Å; R30-V34 PolarHBondContact O-N 3.46Å; L31-V34 PolarHBondContact O-N 3.32Å; K32-V34 VanDerWaalsContact C-N 3.35Å; V34-L61 HydrophobicContact CG1-CD1 4.24Å; V34-L61 WeakPolarHBondContact O-CD1 3.41Å; V34-Y65 HydrophobicContact CG1-CE2 4.33Å; V34-I145 HydrophobicContact CG1-CG2 4.06Å; V34-T149 HydrophobicContact CG2-CG2 4.36Å
35G91.8Very high89.9Confident34 Ų3470.2 Ų70.235%0.35134%0.34SS..THydrogen-bonded Turntrans101.515.2177.600000114.3L31 K32 Q33 P58L31-G35 PolarHBondContact O-N 3.03Å; K32-G35 PolarHBondContact O-N 3.06Å; K32-G35 VanDerWaalsContact O-N 3.12Å; Q33-G35 PolarHBondContact O-N 2.85Å; G35-P58 WeakPolarHBondContact O-CD 3.4Å; G35-P58 WeakPolarHBondContact O-CG 3.07Å
36L93.8Very high88.5Confident5 Ų569.3 Ų69.33%0.02634%0.341CS..  trans-72.1136.8172.6-73.1171.1000111.3L31 A57 L61 L142 I145L31-L36 HydrophobicContact CB-CD1 4.16Å; L31-L36 HydrophobicContact CD2-CD1 3.64Å; L31-L36 HydrophobicContact CG-CD1 4.41Å; L31-L36 WeakPolarHBondContact O-CB 3.39Å; L31-L36 PolarHBondContact O-N 3.11Å; L36-A57 HydrophobicContact CD2-CB 4.05Å; L36-L61 HydrophobicContact CD2-CD2 3.64Å; L36-L61 HydrophobicContact CG-CD2 3.99Å; L36-L142 HydrophobicContact CD2-CD2 3.41Å; L36-L142 VanDerWaalsContact CD2-CD2 3.41Å; L36-I145 HydrophobicContact CD1-CB 4.49Å; L36-I145 HydrophobicContact CD1-CG2 3.7Å; L36-I145 HydrophobicContact CD2-CD1 4.12Å; L36-I145 HydrophobicContact CG-CG2 4.49Å
37L93.6Very high87.3Confident100 Ų10074.4 Ų74.452%0.52436%0.362SS..EExtended strand (participates in β ladder)trans-79.9127.7171.9-61.5174.7000108.5L55 S56L37-L55 WeakPolarHBondContact O-CA 3.47Å; L37-S56 WeakPolarHBondContact CB-OG 3.47Å; L37-S56 PolarHBondContact N-O 3.49Å; L37-S56 PolarHBondContact O-N 3.01Å; L37-S56 VanDerWaalsContact O-N 3.08Å
38Q93.1Very high86.6Confident58 Ų5876.4 Ų76.427%0.27137%0.371SS..EExtended strand (participates in β ladder)trans-124.4124-176.6-56.4179.58.100109.1L28 I53 L54 L55L28-Q38 PolarHBondContact O-NE2 3.21Å; Q38-I53 HydrophobicContact CB-CG2 4.35Å; Q38-L54 WeakPolarHBondContact CA-O 3.33Å; Q38-L55 HydrophobicContact CB-CD2 4.42Å; Q38-L55 HydrophobicContact CG-CD2 3.75Å
39E92.4Very high86.1Confident105 Ų10580.7 Ų80.749%0.49139%0.385SS..EExtended strand (participates in β ladder)trans-114.9126.1168.9-65-176.8-165.200109.6R41 I53 L54E39-R41 IonicContact OE2-NH2 3.82Å; E39-I53 CarbonylContact O-C 3.57Å; E39-I53 WeakPolarHBondContact O-CA 3.37Å; E39-L54 HydrophobicContact CB-CB 4.24Å; E39-L54 PolarHBondContact N-O 3.26Å; E39-L54 PolarHBondContact O-N 2.8Å
40Q89.8Confident85.8Confident113 Ų11373.4 Ų73.453%0.52836%0.358SS..EExtended strand (participates in β ladder)trans-98.5127.8177.5-169176.55.700110.3V42 H51 F52 I53Q40-V42 HydrophobicContact CG-CG2 4.37Å; Q40-H51 PolarHBondContact NE2-ND1 2.89Å; Q40-F52 WeakPolarHBondContact CA-O 3.47Å; Q40-I53 HydrophobicContact CB-CG1 4.46Å; Q40-I53 HydrophobicContact CG-CG1 4.21Å
41R89.5Confident85.6Confident128 Ų12871.1 Ų71.148%0.48335%0.35SS..EExtended strand (participates in β ladder)trans-120.7140.6171.9-59-65.2-179.8167.7-2.4108.6E39 F52 L54 W573E39-R41 IonicContact OE2-NH2 3.82Å; R41-F52 HydrophobicContact CB-CB 4.37Å; R41-F52 PolarHBondContact N-O 3.43Å; R41-F52 PolarHBondContact O-N 3.23Å; R41-L54 HydrophobicContact CG-CD1 4.25Å; R41-W573 HydrophobicContact CG-CZ2 4.25Å
42V85.6Confident85.6Confident60 Ų6071.3 Ų71.336%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-126.8120.8-177-173.50000109.1Q40 R49 H51Q40-V42 HydrophobicContact CG-CG2 4.37Å; V42-R49 HydrophobicContact CG1-CG 3.52Å; V42-H51 WeakPolarHBondContact CG2-ND1 3.48Å
43V81.9Confident85.6Confident36 Ų3664.2 Ų64.222%0.21832%0.32CS..EExtended strand (participates in β ladder)trans-107.3115.1176.6-176.30000107.4I50 F52 E574V43-I50 PolarHBondContact N-O 2.82Å; V43-I50 PolarHBondContact O-N 3.38Å; V43-F52 HydrophobicContact CB-CE2 4.16Å; V43-F52 HydrophobicContact CG2-CD2 3.95Å; V43-F52 HydrophobicContact CG2-CE2 3.72Å; V43-E574 HydrophobicContact CG2-CG 4.28Å; V43-E574 VanDerWaalsContact CG2-OE1 3.29Å; V43-E574 WeakPolarHBondContact CG2-OE1 3.35Å
44S73.3Confident85.7Confident62 Ų6258 Ų5843%0.43429%0.291SS..EExtended strand (participates in β ladder)trans-95.7113-179.2-61.70000109.8
45Q68.8Low85.9Confident42 Ų4255.6 Ų55.620%0.19628%0.276CS..  trans-96.3168.4169.9-63.7180-12.700110.4K47 K48Q45-K47 VanDerWaalsContact C-N 3.3Å; Q45-K47 PolarHBondContact O-N 3.47Å; Q45-K48 CarbonylContact C-O 3.55Å; Q45-K48 WeakPolarHBondContact CA-O 3.39Å; Q45-K48 WeakPolarHBondContact CB-O 3.42Å; Q45-K48 PolarHBondContact N-O 3.28Å; Q45-K48 VanDerWaalsContact O-O 3.07Å
46V63.6Low85.9Confident72 Ų7255.3 Ų55.344%0.43627%0.269SS..SBendtrans-57.2-40.4-174.5-177.60000112.5T558V46-T558 HydrophobicContact CB-CG2 4.1Å; V46-T558 HydrophobicContact CG2-CG2 3.82Å
47K68.1Low85.9Confident168 Ų16855.3 Ų55.373%0.7327%0.27SS*.SBendtrans-106.5-18.8-177.4-67.7-175.4177.2-178.30114.6R11 Q45R11-K47 PolarHBondContact N-O 3.37Å; Q45-K47 VanDerWaalsContact C-N 3.3Å; Q45-K47 PolarHBondContact O-N 3.47Å
48K78.6Confident85.9Confident43 Ų4352.8 Ų52.819%0.18726%0.259CS..EExtended strand (participates in β ladder)trans-140.4147.4-170.2-66.7-175.9172.6-165.70111.4E8 E9 L10 Q45E8-K48 WeakPolarHBondContact OE2-CD 3.48Å; E8-K48 IonicContact OE2-NZ 3.62Å; E8-K48 PolarHBondContact OE2-NZ 2.88Å; E9-K48 CarbonylContact O-C 3.55Å; E9-K48 WeakPolarHBondContact O-CA 3.43Å; L10-K48 HydrophobicContact CD2-CG 4.03Å; Q45-K48 CarbonylContact C-O 3.55Å; Q45-K48 WeakPolarHBondContact CA-O 3.39Å; Q45-K48 WeakPolarHBondContact CB-O 3.42Å; Q45-K48 PolarHBondContact N-O 3.28Å; Q45-K48 VanDerWaalsContact O-O 3.07Å
49R84.2Confident85.8Confident113 Ų11352 Ų5243%0.42625%0.254SS..EExtended strand (participates in β ladder)trans-107.5118.4169.1-161177.3-147.9-171.81108E9 V42E9-R49 HydrophobicContact CB-CB 4.35Å; E9-R49 PolarHBondContact N-O 2.92Å; E9-R49 PolarHBondContact O-N 3.25Å; V42-R49 HydrophobicContact CG1-CG 3.52Å
50I87.9Confident85.8Confident4 Ų453.2 Ų53.22%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-102127179.5-50.7179000107.5V6 E8 V43 F52 Y577V6-I50 HydrophobicContact CG1-CG2 3.6Å; E8-I50 HydrophobicContact CG-CG1 4.37Å; V43-I50 PolarHBondContact N-O 2.82Å; V43-I50 PolarHBondContact O-N 3.38Å; I50-F52 HydrophobicContact CB-CE2 4.06Å; I50-F52 HydrophobicContact CG2-CD2 4.17Å; I50-F52 HydrophobicContact CG2-CE1 4.33Å; I50-F52 HydrophobicContact CG2-CE2 3.52Å; I50-F52 HydrophobicContact CG2-CZ 3.61Å; I50-Y577 HydrophobicContact CD1-CE1 4.36Å
51H90.8Very high86Confident12 Ų1248.8 Ų48.86%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-109126.7177.7-62.7-103.6000109.1V6 W7 E9 Q40 V42V6-H51 WeakPolarHBondContact CA-O 3.35Å; W7-H51 HydrophobicContact CD2-CB 3.63Å; W7-H51 AromaticContact CE2-CD2 3.7Å; W7-H51 AromaticContact CE2-CG 3.47Å; W7-H51 VanDerWaalsContact CE2-CG 3.47Å; W7-H51 HydrophobicContact CE3-CB 3.75Å; W7-H51 HydrophobicContact CG-CB 4.44Å; W7-H51 HydrophobicContact CH2-CB 3.35Å; W7-H51 AromaticContact CH2-CG 3.95Å; W7-H51 HydrophobicContact CZ2-CB 3.2Å; W7-H51 AromaticContact CZ2-CD2 3.96Å; W7-H51 AromaticContact CZ2-CG 3.33Å; W7-H51 AromaticContact CZ2-ND1 3.67Å; W7-H51 HydrophobicContact CZ3-CB 3.59Å; W7-H51 PolarHBondContact N-O 2.78Å; W7-H51 AromaticContact NE1-CD2 3.38Å; W7-H51 PolarHBondContact NE1-CD2 3Å; W7-H51 AromaticContact NE1-CG 3.68Å; W7-H51 PolarHBondContact O-N 3.38Å; E9-H51 IonicContact OE1-NE2 3.91Å; E9-H51 IonicContact OE2-NE2 2.82Å; E9-H51 PolarHBondContact OE2-NE2 3.43Å; Q40-H51 PolarHBondContact NE2-ND1 2.89Å; V42-H51 WeakPolarHBondContact CG2-ND1 3.48Å
52F93.1Very high86.1Confident3 Ų342.8 Ų42.81%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-108.6127174.6-63.3-88.3000108.5V4 V6 Q40 R41 V43 I50 W573 E574 Y577V4-F52 HydrophobicContact CG1-CB 4.47Å; V4-F52 HydrophobicContact CG1-CD1 3.96Å; V6-F52 HydrophobicContact CG1-CD1 4.24Å; V6-F52 HydrophobicContact CG1-CE1 4.02Å; V6-F52 HydrophobicContact CG1-CZ 4.49Å; V6-F52 HydrophobicContact CG2-CD1 3.57Å; V6-F52 HydrophobicContact CG2-CE1 3.73Å; Q40-F52 WeakPolarHBondContact CA-O 3.47Å; R41-F52 HydrophobicContact CB-CB 4.37Å; R41-F52 PolarHBondContact N-O 3.43Å; R41-F52 PolarHBondContact O-N 3.23Å; V43-F52 HydrophobicContact CB-CE2 4.16Å; V43-F52 HydrophobicContact CG2-CD2 3.95Å; V43-F52 HydrophobicContact CG2-CE2 3.72Å; I50-F52 HydrophobicContact CB-CE2 4.06Å; I50-F52 HydrophobicContact CG2-CD2 4.17Å; I50-F52 HydrophobicContact CG2-CE1 4.33Å; I50-F52 HydrophobicContact CG2-CE2 3.52Å; I50-F52 HydrophobicContact CG2-CZ 3.61Å; F52-W573 AromaticContact CD1-CD1 3.81Å; F52-W573 HydrophobicContact CD1-CG 4.48Å; F52-W573 AromaticContact CG-CD1 3.74Å; F52-E574 HydrophobicContact CE2-CG 3.97Å; F52-E574 HydrophobicContact CZ-CG 3.95Å; F52-Y577 HydrophobicContact CE1-CD1 4.39Å; F52-Y577 HydrophobicContact CE1-CG 4.08Å; F52-Y577 HydrophobicContact CZ-CD1 4.24Å; F52-Y577 HydrophobicContact CZ-CG 4.37Å
53I94.4Very high86.5Confident4 Ų440 Ų402%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-110.4115168.8-69.4174.2000107.8V4 L5 W7 L28 Q38 E39 Q40 L55V4-I53 WeakPolarHBondContact CA-O 3.37Å; L5-I53 HydrophobicContact CB-CB 4.28Å; L5-I53 PolarHBondContact N-O 3.49Å; L5-I53 PolarHBondContact O-N 2.96Å; W7-I53 HydrophobicContact CH2-CD1 3.63Å; W7-I53 HydrophobicContact CH2-CG1 4.01Å; W7-I53 HydrophobicContact CZ3-CD1 3.35Å; W7-I53 HydrophobicContact CZ3-CG1 3.65Å; L28-I53 HydrophobicContact CD1-CD1 3.3Å; L28-I53 HydrophobicContact CD2-CD1 3.43Å; L28-I53 VanDerWaalsContact CD2-CD1 3.43Å; L28-I53 HydrophobicContact CD2-CG2 4.49Å; L28-I53 HydrophobicContact CG-CD1 3.99Å; Q38-I53 HydrophobicContact CB-CG2 4.35Å; E39-I53 CarbonylContact O-C 3.57Å; E39-I53 WeakPolarHBondContact O-CA 3.37Å; Q40-I53 HydrophobicContact CB-CG1 4.46Å; Q40-I53 HydrophobicContact CG-CG1 4.21Å; I53-L55 HydrophobicContact CG2-CD2 3.7Å; I53-L55 HydrophobicContact CG2-CG 4.26Å
54L94.3Very high87Confident5 Ų545 Ų453%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-87.7125.4175-53.3177.1000108.4V4 Q38 E39 R41 W573V4-L54 HydrophobicContact CG1-CD2 4.31Å; V4-L54 HydrophobicContact CG2-CD2 3.68Å; Q38-L54 WeakPolarHBondContact CA-O 3.33Å; E39-L54 HydrophobicContact CB-CB 4.24Å; E39-L54 PolarHBondContact N-O 3.26Å; E39-L54 PolarHBondContact O-N 2.8Å; R41-L54 HydrophobicContact CG-CD1 4.25Å; L54-W573 HydrophobicContact CD1-CD2 4.25Å; L54-W573 HydrophobicContact CD1-CE3 3.85Å; L54-W573 HydrophobicContact CD1-CH2 4.18Å; L54-W573 HydrophobicContact CD1-CZ3 3.8Å; L54-W573 HydrophobicContact CD2-CB 4.05Å; L54-W573 HydrophobicContact CD2-CD2 3.88Å; L54-W573 HydrophobicContact CD2-CE3 3.85Å; L54-W573 HydrophobicContact CD2-CG 3.97Å
55L94.6Very high87.8Confident0 Ų043.6 Ų43.60%021%0.205CC..EExtended strand (participates in β ladder)trans-108140.6179.6-58.5176.5000110.2D2 F3 L5 L37 Q38 I53 L146D2-L55 PolarHBondContact N-O 3.42Å; F3-L55 HydrophobicContact CB-CB 4.14Å; F3-L55 HydrophobicContact CB-CD1 4.49Å; F3-L55 PolarHBondContact N-O 2.75Å; F3-L55 PolarHBondContact O-N 3.42Å; L5-L55 HydrophobicContact CD1-CD1 3.94Å; L5-L55 HydrophobicContact CD2-CD1 4.44Å; L5-L55 HydrophobicContact CG-CD1 3.88Å; L37-L55 WeakPolarHBondContact O-CA 3.47Å; Q38-L55 HydrophobicContact CB-CD2 4.42Å; Q38-L55 HydrophobicContact CG-CD2 3.75Å; I53-L55 HydrophobicContact CG2-CD2 3.7Å; I53-L55 HydrophobicContact CG2-CG 4.26Å; L55-L146 HydrophobicContact CD1-CD1 4.09Å; L55-L146 HydrophobicContact CD1-CD2 3.81Å; L55-L146 HydrophobicContact CD1-CG 4.4Å
56S93.1Very high88.9Confident29 Ų2941.6 Ų41.620%0.20320%0.196CC..EExtended strand (participates in β ladder)trans-143.8143.4167.755.30000110.6L37L37-S56 WeakPolarHBondContact CB-OG 3.47Å; L37-S56 PolarHBondContact N-O 3.49Å; L37-S56 PolarHBondContact O-N 3.01Å; L37-S56 VanDerWaalsContact O-N 3.08Å
57A92.9Very high90.2Very high4 Ų440.4 Ų40.43%0.03319%0.186CC..  trans-96.6127.5177.300000110.1L36 L61 L62 L142L36-A57 HydrophobicContact CD2-CB 4.05Å; A57-L61 HydrophobicContact CB-CD2 4.36Å; A57-L62 HydrophobicContact CB-CD2 3.69Å; A57-L62 HydrophobicContact CB-CG 3.81Å; A57-L142 HydrophobicContact CB-CD2 3.92Å; A57-L142 HydrophobicContact CB-CG 4.25Å
58P94Very high91Very high47 Ų4734.9 Ų34.931%0.30516%0.163SC..  trans-70.4159.2172.929.7-33.7000111.1G35 N60 L61 L62G35-P58 WeakPolarHBondContact O-CD 3.4Å; G35-P58 WeakPolarHBondContact O-CG 3.07Å; P58-N60 VanDerWaalsContact C-N 3.34Å; P58-N60 PolarHBondContact O-N 3.24Å; P58-L61 HydrophobicContact CG-CB 3.87Å; P58-L61 WeakPolarHBondContact O-CB 3.32Å; P58-L61 PolarHBondContact O-N 2.88Å; P58-L62 PolarHBondContact O-N 3.08Å
59W92.1Very high91.3Very high43 Ų4333.4 Ų33.416%0.16316%0.157CC..Hα-helixtrans-50.8-46.2-175.6177.1-101.5000114.5L61 L62 C63 L120 K129 F132 F133W59-L61 VanDerWaalsContact C-N 3.28Å; W59-L61 PolarHBondContact O-N 2.93Å; W59-L62 WeakPolarHBondContact O-CB 3.44Å; W59-L62 PolarHBondContact O-N 3.26Å; W59-C63 VanDerWaalsContact CZ2-SG 3.59Å; W59-C63 PolarHBondContact NE1-SG 3.44Å; W59-C63 VanDerWaalsContact NE1-SG 3.42Å; W59-C63 PolarHBondContact O-N 3.2Å; W59-C63 PolarHBondContact O-SG 3.03Å; W59-L120 HydrophobicContact CZ2-CD1 4.17Å; W59-L120 HydrophobicContact CZ2-CD2 4.07Å; W59-K129 HydrophobicContact CD2-CB 4.06Å; W59-K129 HydrophobicContact CD2-CD 4.25Å; W59-K129 HydrophobicContact CD2-CG 4.08Å; W59-K129 HydrophobicContact CE3-CB 3.84Å; W59-K129 HydrophobicContact CE3-CG 4.3Å; W59-K129 HydrophobicContact CG-CD 4.23Å; W59-K129 HydrophobicContact CH2-CG 4.49Å; W59-K129 HydrophobicContact CZ2-CG 4.29Å; W59-K129 HydrophobicContact CZ3-CB 4.08Å; W59-K129 HydrophobicContact CZ3-CG 4.49Å; W59-K129 WeakPolarHBondContact CZ3-O 3.48Å; W59-F132 HydrophobicContact CH2-CB 3.87Å; W59-F132 AromaticContact CH2-CD1 3.54Å; W59-F132 HydrophobicContact CH2-CD1 3.54Å; W59-F132 HydrophobicContact CH2-CE1 4.33Å; W59-F132 AromaticContact CH2-CG 3.87Å; W59-F132 HydrophobicContact CH2-CG 3.87Å; W59-F132 HydrophobicContact CZ3-CB 4Å; W59-F132 HydrophobicContact CZ3-CD1 4.05Å; W59-F132 HydrophobicContact CZ3-CG 4.38Å; W59-F133 AromaticContact CE3-CD2 3.98Å; W59-F133 HydrophobicContact CE3-CD2 3.98Å; W59-F133 HydrophobicContact CE3-CE2 4.05Å; W59-F133 HydrophobicContact CH2-CD2 4.02Å; W59-F133 AromaticContact CH2-CE2 3.72Å; W59-F133 HydrophobicContact CH2-CE2 3.72Å; W59-F133 HydrophobicContact CZ2-CE2 4.41Å; W59-F133 AromaticContact CZ3-CD2 3.4Å; W59-F133 HydrophobicContact CZ3-CD2 3.4Å; W59-F133 AromaticContact CZ3-CE2 3.51Å; W59-F133 HydrophobicContact CZ3-CE2 3.51Å
60N91.9Very high91.4Very high130 Ų13029.5 Ų29.570%0.69515%0.147SC*.Hα-helixtrans-64.4-35.8-178.3-64.7-10.6000112.1P58 Y64P58-N60 VanDerWaalsContact C-N 3.34Å; P58-N60 PolarHBondContact O-N 3.24Å; N60-Y64 WeakPolarHBondContact O-CB 3.44Å; N60-Y64 PolarHBondContact O-N 3.17Å
61L92.8Very high91.3Very high20 Ų2029.7 Ų29.711%0.10515%0.147CC..Hα-helixtrans-71.2-41.4177.6-166.266.8000110.6V34 L36 A57 P58 W59 Y64 Y65 I145V34-L61 HydrophobicContact CG1-CD1 4.24Å; V34-L61 WeakPolarHBondContact O-CD1 3.41Å; L36-L61 HydrophobicContact CD2-CD2 3.64Å; L36-L61 HydrophobicContact CG-CD2 3.99Å; A57-L61 HydrophobicContact CB-CD2 4.36Å; P58-L61 HydrophobicContact CG-CB 3.87Å; P58-L61 WeakPolarHBondContact O-CB 3.32Å; P58-L61 PolarHBondContact O-N 2.88Å; W59-L61 VanDerWaalsContact C-N 3.28Å; W59-L61 PolarHBondContact O-N 2.93Å; L61-Y64 PolarHBondContact O-N 2.93Å; L61-Y65 HydrophobicContact CD1-CD2 3.83Å; L61-Y65 HydrophobicContact CD1-CE2 3.57Å; L61-Y65 HydrophobicContact CG-CD2 3.9Å; L61-Y65 HydrophobicContact CG-CE2 4.03Å; L61-Y65 WeakPolarHBondContact O-CD2 3.25Å; L61-Y65 PolarHBondContact O-N 3.05Å; L61-I145 HydrophobicContact CD2-CD1 4.01Å; L61-I145 HydrophobicContact CG-CD1 4.31Å
62L93.2Very high91.1Very high2 Ų231.9 Ų31.91%0.0116%0.155CC..Hα-helixtrans-58.7-47.9173.3-71.8172.2000111.1A57 P58 W59 Y64 Y65 A66 F133 R138 V141A57-L62 HydrophobicContact CB-CD2 3.69Å; A57-L62 HydrophobicContact CB-CG 3.81Å; P58-L62 PolarHBondContact O-N 3.08Å; W59-L62 WeakPolarHBondContact O-CB 3.44Å; W59-L62 PolarHBondContact O-N 3.26Å; L62-Y64 PolarHBondContact O-N 3.22Å; L62-Y65 PolarHBondContact O-N 3.03Å; L62-A66 WeakPolarHBondContact O-CA 3.37Å; L62-A66 WeakPolarHBondContact O-CB 3.17Å; L62-A66 PolarHBondContact O-N 3.46Å; L62-F133 HydrophobicContact CB-CD2 3.95Å; L62-F133 HydrophobicContact CB-CE2 3.88Å; L62-F133 HydrophobicContact CD1-CD2 4.13Å; L62-R138 HydrophobicContact CD1-CG 4.28Å; L62-R138 HydrophobicContact CD2-CB 4.44Å; L62-R138 HydrophobicContact CD2-CG 4.26Å; L62-V141 HydrophobicContact CD2-CB 4.11Å; L62-V141 HydrophobicContact CD2-CG1 3.94Å; L62-V141 HydrophobicContact CD2-CG2 4.44Å
63C92.8Very high90.7Very high1 Ų132 Ų321%0.00716%0.157CC..Hα-helixtrans-62.1-43.3178.8-65.30000112.3W59 E67 F115W59-C63 VanDerWaalsContact CZ2-SG 3.59Å; W59-C63 PolarHBondContact NE1-SG 3.44Å; W59-C63 VanDerWaalsContact NE1-SG 3.42Å; W59-C63 PolarHBondContact O-N 3.2Å; W59-C63 PolarHBondContact O-SG 3.03Å; C63-E67 PolarHBondContact O-N 3.3Å; C63-F115 HydrophobicContact CB-CE1 4.15Å; C63-F115 HydrophobicContact CB-CZ 4.32Å
64Y92.7Very high90.4Very high142 Ų14233.2 Ų33.256%0.55717%0.165SC*.Hα-helixtrans-60.8-53.2178.5175.2-93.1000111.4N60 L61 L62 E67 E68N60-Y64 WeakPolarHBondContact O-CB 3.44Å; N60-Y64 PolarHBondContact O-N 3.17Å; L61-Y64 PolarHBondContact O-N 2.93Å; L62-Y64 PolarHBondContact O-N 3.22Å; Y64-E67 PolarHBondContact O-N 3.38Å; Y64-E68 WeakPolarHBondContact CE1-OE2 3.29Å; Y64-E68 WeakPolarHBondContact O-CB 3.4Å; Y64-E68 PolarHBondContact O-N 2.81Å
65Y91.2Very high89.8Confident31 Ų3136 Ų3612%0.12218%0.18CC..Hα-helixtrans-71.7-32.1-178.9-83-75.9000112.8V34 L61 L62 E67 E68 I69 V141 I145V34-Y65 HydrophobicContact CG1-CE2 4.33Å; L61-Y65 HydrophobicContact CD1-CD2 3.83Å; L61-Y65 HydrophobicContact CD1-CE2 3.57Å; L61-Y65 HydrophobicContact CG-CD2 3.9Å; L61-Y65 HydrophobicContact CG-CE2 4.03Å; L61-Y65 WeakPolarHBondContact O-CD2 3.25Å; L61-Y65 PolarHBondContact O-N 3.05Å; L62-Y65 PolarHBondContact O-N 3.03Å; Y65-E67 VanDerWaalsContact C-N 3.32Å; Y65-E67 PolarHBondContact O-N 3.38Å; Y65-E68 WeakPolarHBondContact CE1-OE2 3.44Å; Y65-E68 PolarHBondContact O-N 3.29Å; Y65-I69 VanDerWaalsContact O-CG1 3.22Å; Y65-I69 WeakPolarHBondContact O-CG1 3.45Å; Y65-I69 WeakPolarHBondContact O-CG2 3.38Å; Y65-I69 PolarHBondContact O-N 2.95Å; Y65-V141 VanDerWaalsContact CB-CG1 3.5Å; Y65-V141 HydrophobicContact CD2-CG1 4.41Å; Y65-V141 HydrophobicContact CG-CG1 4.13Å; Y65-I145 HydrophobicContact CD1-CG1 4.22Å; Y65-I145 HydrophobicContact CD2-CD1 3.69Å; Y65-I145 HydrophobicContact CD2-CG1 3.88Å; Y65-I145 HydrophobicContact CE1-CG1 3.94Å; Y65-I145 HydrophobicContact CE2-CD1 3.62Å; Y65-I145 HydrophobicContact CE2-CG1 3.56Å; Y65-I145 HydrophobicContact CG-CD1 4.31Å; Y65-I145 HydrophobicContact CG-CG1 4.2Å
66A91Very high89.1Confident0 Ų041.8 Ų41.80%021%0.207CC..Hα-helixtrans-60.6-42173.800000111.6L62 S70 L71 F115 F133L62-A66 WeakPolarHBondContact O-CA 3.37Å; L62-A66 WeakPolarHBondContact O-CB 3.17Å; L62-A66 PolarHBondContact O-N 3.46Å; A66-S70 PolarHBondContact O-N 2.63Å; A66-L71 HydrophobicContact CB-CB 4.38Å; A66-L71 HydrophobicContact CB-CD1 3.8Å; A66-L71 HydrophobicContact CB-CG 4.29Å; A66-L71 PolarHBondContact O-N 2.81Å; A66-F115 HydrophobicContact CB-CD1 3.73Å; A66-F115 HydrophobicContact CB-CE1 4.06Å; A66-F115 HydrophobicContact CB-CG 4.43Å; A66-F133 HydrophobicContact CB-CE1 3.73Å; A66-F133 HydrophobicContact CB-CZ 3.81Å
67E89.9Confident88.6Confident48 Ų4843 Ų4322%0.22421%0.213CC..Hα-helixtrans-70.6-39.4173.5-179.6162.5-173.400111.4C63 Y64 Y65 S70 F115 R116 N117C63-E67 PolarHBondContact O-N 3.3Å; Y64-E67 PolarHBondContact O-N 3.38Å; Y65-E67 VanDerWaalsContact C-N 3.32Å; Y65-E67 PolarHBondContact O-N 3.38Å; E67-S70 PolarHBondContact O-N 3.07Å; E67-S70 VanDerWaalsContact O-N 3.17Å; E67-F115 HydrophobicContact CB-CD1 4.22Å; E67-R116 WeakPolarHBondContact OE1-CD 3.46Å; E67-R116 IonicContact OE1-CZ 3.7Å; E67-R116 IonicContact OE1-NE 3.82Å; E67-R116 IonicContact OE1-NH1 2.8Å; E67-R116 PolarHBondContact OE1-NH1 3.02Å; E67-N117 WeakPolarHBondContact OE2-CB 3.31Å; E67-N117 PolarHBondContact OE2-N 3.03Å
68E85.4Confident87.8Confident52 Ų5243.7 Ų43.724%0.24322%0.216CC..Hα-helixtrans-58.9-52.7177.9-145.4-156.211300110.9Y64 Y65 S70 R148 R346Y64-E68 WeakPolarHBondContact CE1-OE2 3.29Å; Y64-E68 WeakPolarHBondContact O-CB 3.4Å; Y64-E68 PolarHBondContact O-N 2.81Å; Y65-E68 WeakPolarHBondContact CE1-OE2 3.44Å; Y65-E68 PolarHBondContact O-N 3.29Å; E68-S70 PolarHBondContact O-N 3.33Å; E68-R148 IonicContact OE1-NH1 3.53Å; E68-R148 PolarHBondContact OE1-NH1 2.64Å; E68-R346 PolarHBondContact O-NH2 2.74Å; E68-R346 IonicContact OE1-CZ 2.68Å; E68-R346 IonicContact OE1-NH1 2.81Å; E68-R346 PolarHBondContact OE1-NH1 2.75Å; E68-R346 IonicContact OE1-NH2 3.95Å; E68-R346 PolarHBondContact OE1-NH2 3.08Å
69I85.5Confident86.5Confident12 Ų1248.2 Ų48.26%0.06224%0.238CC..THydrogen-bonded Turntrans-79.75-179.874.7-166.5000113.2Y65 L71 I140 V141 E144Y65-I69 VanDerWaalsContact O-CG1 3.22Å; Y65-I69 WeakPolarHBondContact O-CG1 3.45Å; Y65-I69 WeakPolarHBondContact O-CG2 3.38Å; Y65-I69 PolarHBondContact O-N 2.95Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 HydrophobicContact CD1-CD1 3.98Å; I69-L71 HydrophobicContact CD1-CD2 3.67Å; I69-L71 HydrophobicContact CD1-CG 3.61Å; I69-L71 HydrophobicContact CG1-CD1 4.36Å; I69-L71 HydrophobicContact CG1-CD2 3.77Å; I69-L71 HydrophobicContact CG1-CG 3.53Å; I69-L71 PolarHBondContact O-N 3.39Å; I69-I140 HydrophobicContact CD1-CG2 4.01Å; I69-V141 HydrophobicContact CD1-CG2 3.79Å; I69-E144 HydrophobicContact CG2-CG 4.04Å
70S85.4Confident85.2Confident31 Ų3150.1 Ų50.122%0.21725%0.251CS..THydrogen-bonded Turntrans54.542.1178.5-580000113.6A66 E67 E68 R72A66-S70 PolarHBondContact O-N 2.63Å; E67-S70 PolarHBondContact O-N 3.07Å; E67-S70 VanDerWaalsContact O-N 3.17Å; E68-S70 PolarHBondContact O-N 3.33Å; S70-R72 PolarHBondContact O-N 3.14Å
71L86.6Confident83.8Confident7 Ų748.7 Ų48.74%0.03725%0.248CC..  trans-55.6141.4175.7-71.9-175000110.7A66 I69 F115 Q137 V141A66-L71 HydrophobicContact CB-CB 4.38Å; A66-L71 HydrophobicContact CB-CD1 3.8Å; A66-L71 HydrophobicContact CB-CG 4.29Å; A66-L71 PolarHBondContact O-N 2.81Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 HydrophobicContact CD1-CD1 3.98Å; I69-L71 HydrophobicContact CD1-CD2 3.67Å; I69-L71 HydrophobicContact CD1-CG 3.61Å; I69-L71 HydrophobicContact CG1-CD1 4.36Å; I69-L71 HydrophobicContact CG1-CD2 3.77Å; I69-L71 HydrophobicContact CG1-CG 3.53Å; I69-L71 PolarHBondContact O-N 3.39Å; L71-F115 WeakPolarHBondContact O-CB 3.5Å; L71-F115 PolarHBondContact O-N 3Å; L71-Q137 HydrophobicContact CD1-CB 4.27Å; L71-V141 HydrophobicContact CD1-CG2 4.26Å
72R85.5Confident82.3Confident58 Ų5852.6 Ų52.622%0.21927%0.269CS..EExtended strand (participates in β ladder)trans-86.7135.8172.2-68175.2177.9-153.312.9110.4S70 C113 D336 T338 E344S70-R72 PolarHBondContact O-N 3.14Å; R72-C113 CarbonylContact C-O 3.55Å; R72-C113 VanDerWaalsContact CA-O 3.3Å; R72-C113 WeakPolarHBondContact CA-O 3.38Å; R72-D336 IonicContact NH1-OD1 3.5Å; R72-T338 PolarHBondContact NH2-O 3.2Å; R72-E344 IonicContact NE-OE1 2.88Å
73A86.1Confident80.8Confident5 Ų557.8 Ų57.84%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-125.9150.9-177.700000111T112 C113 F115 F123 F132A73-T112 VanDerWaalsContact O-CA 3.29Å; A73-T112 WeakPolarHBondContact O-CA 3.3Å; A73-C113 PolarHBondContact N-O 3.24Å; A73-C113 PolarHBondContact O-N 3.36Å; A73-F115 HydrophobicContact CB-CB 4.18Å; A73-F115 HydrophobicContact CB-CD2 3.95Å; A73-F123 HydrophobicContact CB-CD1 3.51Å; A73-F123 HydrophobicContact CB-CE1 3.6Å; A73-F123 HydrophobicContact CB-CG 4.13Å; A73-F123 HydrophobicContact CB-CZ 4.3Å; A73-F132 HydrophobicContact CB-CZ 4.25Å
74P87Confident79.8Confident30 Ų3060.7 Ų60.720%0.19532%0.316CS..EExtended strand (participates in β ladder)trans-76.7133-171.430.5-35.4000113Y110 F123 L124P74-Y110 HydrophobicContact CB-CD1 3.52Å; P74-Y110 HydrophobicContact CB-CD2 4.04Å; P74-Y110 HydrophobicContact CB-CE1 4.13Å; P74-Y110 HydrophobicContact CB-CG 3.45Å; P74-Y110 VanDerWaalsContact CB-CG 3.45Å; P74-F123 WeakPolarHBondContact O-CA 3.47Å; P74-L124 HydrophobicContact CG-CB 4.49Å; P74-L124 PolarHBondContact O-N 2.91Å
75L81.3Confident78.7Confident65 Ų6563.6 Ų63.634%0.3433%0.326SS..EExtended strand (participates in β ladder)trans-101.8-44.3174.6-78.1165.1000112.8Y111 C113 R122 F123 L124L75-Y111 WeakPolarHBondContact CB-O 3.38Å; L75-Y111 PolarHBondContact N-O 3.28Å; L75-C113 HydrophobicContact CD1-CB 3.7Å; L75-C113 VanDerWaalsContact CD1-SG 3.58Å; L75-R122 HydrophobicContact CD2-CG 4.48Å; L75-F123 HydrophobicContact CD2-CD1 4.39Å; L75-F123 HydrophobicContact CD2-CE1 4.5Å; L75-L124 WeakPolarHBondContact O-CD1 3.3Å; L75-L124 VanDerWaalsContact O-CG 3.3Å; L75-L124 WeakPolarHBondContact O-CG 3.46Å
76Q80.7Confident77.8Confident120 Ų12062.9 Ų62.956%0.56133%0.326SS*.EExtended strand (participates in β ladder)trans-148.5139.9-175.3-174.1175.210.100110.8Y110 Y111Q76-Y110 CarbonylContact O-C 3.56Å; Q76-Y110 WeakPolarHBondContact O-CA 3.29Å; Q76-Y111 HydrophobicContact CB-CD2 4.32Å; Q76-Y111 PolarHBondContact O-N 3.5Å
77V82.1Confident76.9Confident55 Ų5566.3 Ų66.333%0.33334%0.342SS..EExtended strand (participates in β ladder)trans-72.1136.7174.9-176.20000110.4L108 E109 Y110 L124V77-L108 HydrophobicContact CG1-CB 4.43Å; V77-L108 HydrophobicContact CG1-CD1 4.44Å; V77-E109 WeakPolarHBondContact CA-O 3.14Å; V77-Y110 HydrophobicContact CB-CD1 4.48Å; V77-Y110 HydrophobicContact CG2-CD1 3.94Å; V77-Y110 HydrophobicContact CG2-CE1 3.62Å; V77-L124 HydrophobicContact CG2-CD1 3.89Å
78V77.4Confident76.1Confident18 Ų1866.4 Ų66.411%0.10935%0.348CS..EExtended strand (participates in β ladder)trans-111117.8175.7179.50000109.1I80 E109 Y111V78-I80 HydrophobicContact CG1-CD1 3.39Å; V78-I80 HydrophobicContact CG1-CG1 3.59Å; V78-I80 PolarHBondContact O-N 2.9Å; V78-E109 HydrophobicContact CB-CB 4.19Å; V78-E109 PolarHBondContact N-O 2.63Å; V78-Y111 HydrophobicContact CG2-CD1 4.37Å; V78-Y111 HydrophobicContact CG2-CD2 3.39Å; V78-Y111 HydrophobicContact CG2-CE1 4.36Å; V78-Y111 HydrophobicContact CG2-CE2 3.39Å; V78-Y111 HydrophobicContact CG2-CG 3.91Å
79N66.9Low75.6Confident143 Ų14368.6 Ų68.677%0.76536%0.357SS*.  trans-95.186.3175.4-68.8-14.3000109.4
80I64.2Low75.3Confident82 Ų8269.6 Ų69.642%0.42136%0.362SS..  trans-101.1128.4169.6-66.9155.3000108.2V78 L82V78-I80 HydrophobicContact CG1-CD1 3.39Å; V78-I80 HydrophobicContact CG1-CG1 3.59Å; V78-I80 PolarHBondContact O-N 2.9Å; I80-L82 PolarHBondContact O-N 3.37Å; I80-L82 VanDerWaalsContact O-N 3.17Å
81P62.5Low74.8Confident100 Ų10071.8 Ų71.865%0.64938%0.377SS*.  trans-65.6116.7171.326.7-31.6000109.2T83P81-T83 PolarHBondContact O-N 3.15Å
82L61.8Low74.8Confident102 Ų10279.4 Ų79.453%0.53441%0.41SS..  trans-63.498.4169.7-85.6125.7000108.6I80I80-L82 PolarHBondContact O-N 3.37Å; I80-L82 VanDerWaalsContact O-N 3.17Å
83T60.9Low74.6Confident111 Ų11181.2 Ų81.268%0.68142%0.424SS*.  trans-105.4115.4173.546.90000109P81P81-T83 PolarHBondContact O-N 3.15Å
84N71.8Confident74.4Confident63 Ų6386.3 Ų86.334%0.33746%0.459SS..  trans-74.4141172.4-65-58.9000109.2S86 E87 S88N84-S86 VanDerWaalsContact C-N 3.29Å; N84-S86 PolarHBondContact O-N 3.49Å; N84-E87 HydrophobicContact CB-CB 4.03Å; N84-E87 PolarHBondContact ND2-OE2 2.79Å; N84-E87 WeakPolarHBondContact O-CB 3.18Å; N84-E87 PolarHBondContact O-N 2.95Å; N84-E87 VanDerWaalsContact O-N 3.08Å; N84-S88 PolarHBondContact O-N 2.93Å
85W69.3Low74.1Confident202 Ų20289.6 Ų89.677%0.76548%0.475SS*.Hα-helixtrans-58-41.6-179.517783.9000112.7E87 S88 F89W85-E87 VanDerWaalsContact C-N 3.31Å; W85-E87 PolarHBondContact O-N 3.39Å; W85-S88 PolarHBondContact O-N 3.43Å; W85-F89 WeakPolarHBondContact O-CB 3.22Å; W85-F89 PolarHBondContact O-N 3.29Å
86S73.1Confident73.8Confident16 Ų1691.7 Ų91.711%0.11249%0.492CS..Hα-helixtrans-65-34.2177.361.90000112.9N84 F89 L90 Y212N84-S86 VanDerWaalsContact C-N 3.29Å; N84-S86 PolarHBondContact O-N 3.49Å; S86-F89 PolarHBondContact O-N 3.15Å; S86-L90 WeakPolarHBondContact O-CB 3.02Å; S86-L90 WeakPolarHBondContact O-CG 3.49Å; S86-L90 PolarHBondContact O-N 3.33Å; S86-Y212 WeakPolarHBondContact CB-OH 3.5Å; S86-Y212 WeakPolarHBondContact OG-CE2 3.48Å; S86-Y212 VanDerWaalsContact OG-CZ 3.31Å; S86-Y212 PolarHBondContact OG-OH 2.95Å
87E71.8Confident73.4Confident72 Ų7287.3 Ų87.334%0.33648%0.475SS..Hα-helixtrans-71.9-40177.5-173.5171.6-169.900110.2N84 W85 F89 S91N84-E87 HydrophobicContact CB-CB 4.03Å; N84-E87 PolarHBondContact ND2-OE2 2.79Å; N84-E87 WeakPolarHBondContact O-CB 3.18Å; N84-E87 PolarHBondContact O-N 2.95Å; N84-E87 VanDerWaalsContact O-N 3.08Å; W85-E87 VanDerWaalsContact C-N 3.31Å; W85-E87 PolarHBondContact O-N 3.39Å; E87-F89 VanDerWaalsContact C-N 3.35Å; E87-S91 WeakPolarHBondContact O-CB 3.48Å; E87-S91 PolarHBondContact O-N 2.84Å; E87-S91 PolarHBondContact O-OG 3.14Å
88S72.3Confident73.1Confident50 Ų5088.8 Ų88.835%0.3549%0.485SS..Hα-helixtrans-63.5-39.1170.9-170.90000112.3N84 W85 S91 K92N84-S88 PolarHBondContact O-N 2.93Å; W85-S88 PolarHBondContact O-N 3.43Å; S88-S91 WeakPolarHBondContact CA-OG 3.5Å; S88-S91 PolarHBondContact O-OG 3.48Å; S88-K92 VanDerWaalsContact O-CG 3.3Å; S88-K92 WeakPolarHBondContact O-CG 3.48Å; S88-K92 PolarHBondContact O-N 3.26Å
89F75.6Confident73.2Confident98 Ų9890.5 Ų90.543%0.4349%0.494SS..Hα-helixtrans-73.6-45178.7-176.3-102.4000112.8W85 S86 E87 K92 L93W85-F89 WeakPolarHBondContact O-CB 3.22Å; W85-F89 PolarHBondContact O-N 3.29Å; S86-F89 PolarHBondContact O-N 3.15Å; E87-F89 VanDerWaalsContact C-N 3.35Å; F89-K92 WeakPolarHBondContact O-CB 3.43Å; F89-K92 PolarHBondContact O-N 2.74Å; F89-L93 HydrophobicContact CD1-CD1 3.88Å; F89-L93 HydrophobicContact CE1-CD1 3.33Å; F89-L93 HydrophobicContact CE1-CG 4.47Å; F89-L93 HydrophobicContact CZ-CD1 3.7Å; F89-L93 PolarHBondContact O-N 3.48Å; F89-L93 VanDerWaalsContact O-N 3.16Å
90L79.4Confident73.7Confident33 Ų3385 Ų8517%0.17347%0.466CS..Hα-helixtrans-71.2-34.3179.3-69.8171.6000111.9S86 K92 L93 S94 L95S86-L90 WeakPolarHBondContact O-CB 3.02Å; S86-L90 WeakPolarHBondContact O-CG 3.49Å; S86-L90 PolarHBondContact O-N 3.33Å; L90-K92 VanDerWaalsContact C-N 3.34Å; L90-L93 CarbonylContact O-C 3.18Å; L90-L93 VanDerWaalsContact O-C 3.28Å; L90-L93 WeakPolarHBondContact O-CA 3.42Å; L90-L93 PolarHBondContact O-N 3.42Å; L90-S94 PolarHBondContact O-N 3.16Å; L90-L95 HydrophobicContact CB-CB 4.36Å; L90-L95 HydrophobicContact CD2-CB 3.95Å; L90-L95 HydrophobicContact CD2-CD1 4.07Å; L90-L95 PolarHBondContact O-N 3.46Å
91S75.6Confident74.5Confident77 Ų7783.8 Ų83.854%0.53846%0.459SS..Hα-helixtrans-64-38.7171.356.60000111.9E87 S88 L93 S94E87-S91 WeakPolarHBondContact O-CB 3.48Å; E87-S91 PolarHBondContact O-N 2.84Å; E87-S91 PolarHBondContact O-OG 3.14Å; S88-S91 WeakPolarHBondContact CA-OG 3.5Å; S88-S91 PolarHBondContact O-OG 3.48Å; S91-L93 PolarHBondContact O-N 3.09Å; S91-S94 PolarHBondContact O-N 3.04Å
92K84.6Confident75.3Confident168 Ų16886.6 Ų86.673%0.7347%0.469SS*.Hα-helixtrans-60-31.1169.6-75.5173.5-176.8179.50112.7S88 F89 L90S88-K92 VanDerWaalsContact O-CG 3.3Å; S88-K92 WeakPolarHBondContact O-CG 3.48Å; S88-K92 PolarHBondContact O-N 3.26Å; F89-K92 WeakPolarHBondContact O-CB 3.43Å; F89-K92 PolarHBondContact O-N 2.74Å; L90-K92 VanDerWaalsContact C-N 3.34Å
93L82.8Confident76.3Confident95 Ų9583.2 Ų83.250%0.49745%0.452SS..THydrogen-bonded Turntrans-91.45.3176.1-67.6171.3000113.8F89 L90 S91 L95F89-L93 HydrophobicContact CD1-CD1 3.88Å; F89-L93 HydrophobicContact CE1-CD1 3.33Å; F89-L93 HydrophobicContact CE1-CG 4.47Å; F89-L93 HydrophobicContact CZ-CD1 3.7Å; F89-L93 PolarHBondContact O-N 3.48Å; F89-L93 VanDerWaalsContact O-N 3.16Å; L90-L93 CarbonylContact O-C 3.18Å; L90-L93 VanDerWaalsContact O-C 3.28Å; L90-L93 WeakPolarHBondContact O-CA 3.42Å; L90-L93 PolarHBondContact O-N 3.42Å; S91-L93 PolarHBondContact O-N 3.09Å; L93-L95 HydrophobicContact CB-CD1 4.19Å; L93-L95 HydrophobicContact CB-CG 4.35Å; L93-L95 PolarHBondContact O-N 3.44Å; L93-L95 VanDerWaalsContact O-N 3.16Å
94S81Confident77.4Confident113 Ų11378.8 Ų78.879%0.7943%0.425SS*.THydrogen-bonded Turntrans53.526.7-174.4-55.50000115L90 S91L90-S94 PolarHBondContact O-N 3.16Å; S91-S94 PolarHBondContact O-N 3.04Å
95L80.3Confident77.8Confident99 Ų9979 Ų7952%0.51843%0.426SS..  trans-99.7142.4177.8-71.3170.9000110.8L90 L93L90-L95 HydrophobicContact CB-CB 4.36Å; L90-L95 HydrophobicContact CD2-CB 3.95Å; L90-L95 HydrophobicContact CD2-CD1 4.07Å; L90-L95 PolarHBondContact O-N 3.46Å; L93-L95 HydrophobicContact CB-CD1 4.19Å; L93-L95 HydrophobicContact CB-CG 4.35Å; L93-L95 PolarHBondContact O-N 3.44Å; L93-L95 VanDerWaalsContact O-N 3.16Å
96P75.3Confident78.4Confident109 Ų10973.1 Ų73.171%0.70841%0.414SS*.  trans-64.7145173.127.8-33000110P98P96-P98 WeakPolarHBondContact O-CD 3.46Å
97S72.1Confident78.8Confident27 Ų2774.2 Ų74.219%0.18942%0.421CS..  trans-88.296.2176.754.20000110.8L99 S100S97-L99 PolarHBondContact O-N 2.74Å; S97-L99 VanDerWaalsContact O-N 3.14Å; S97-S100 PolarHBondContact O-N 2.9Å; S97-S100 PolarHBondContact O-OG 3.19Å; S97-S100 PolarHBondContact OG-OG 2.85Å
98P76.3Confident79.2Confident86 Ų8675.3 Ų75.356%0.55843%0.429SS*.THydrogen-bonded Turntrans-67-19.9-174.727.6-35.4000113.2P96 R211P96-P98 WeakPolarHBondContact O-CD 3.46Å; P98-R211 PolarHBondContact O-NH1 3.35Å
99L80.5Confident79.5Confident55 Ų5574.5 Ų74.529%0.28842%0.419SS..THydrogen-bonded Turntrans-85.8-20.6-178.7-66.1100.5000114.2S97 R210 R211 Y212S97-L99 PolarHBondContact O-N 2.74Å; S97-L99 VanDerWaalsContact O-N 3.14Å; L99-R210 WeakPolarHBondContact CA-O 3.2Å; L99-R210 WeakPolarHBondContact CG-O 3.31Å; L99-R211 WeakPolarHBondContact O-CA 3.46Å; L99-Y212 HydrophobicContact CB-CD2 3.6Å; L99-Y212 HydrophobicContact CB-CE1 4.41Å; L99-Y212 HydrophobicContact CB-CE2 3.28Å; L99-Y212 HydrophobicContact CB-CG 4.26Å; L99-Y212 HydrophobicContact CD2-CE1 4.1Å; L99-Y212 HydrophobicContact CD2-CE2 4.4Å; L99-Y212 HydrophobicContact CG-CE2 4.36Å; L99-Y212 WeakPolarHBondContact O-CD2 2.94Å; L99-Y212 PolarHBondContact O-N 2.91Å
100S76.9Confident79.7Confident27 Ų2773.3 Ų73.319%0.18941%0.412CS..  trans-71.1147.4-176.668.90000111.2S97 R211S97-S100 PolarHBondContact O-N 2.9Å; S97-S100 PolarHBondContact O-OG 3.19Å; S97-S100 PolarHBondContact OG-OG 2.85Å; S100-R211 PolarHBondContact O-NH1 3.25Å
101Q81.1Confident79.7Confident57 Ų5773.8 Ų73.827%0.26641%0.412SS..  trans-148.2131.7177.2-174.4170.518.400109.3V103 Y202Q101-V103 HydrophobicContact CG-CG2 4.43Å; Q101-V103 PolarHBondContact O-N 3.49Å; Q101-Y202 HydrophobicContact CG-CD1 4.04Å; Q101-Y202 HydrophobicContact CG-CE1 4.48Å; Q101-Y202 PolarHBondContact OE1-O 2.79Å
102N79.6Confident80.1Confident159 Ų15971.4 Ų71.485%0.8540%0.395SS*.  trans-80.7104.7170.9-68-28.9000108.7
103V82.7Confident80Confident31 Ų3165.6 Ų65.619%0.18838%0.375CS..  trans-89.5130.8176.2-175.40000108.3Q101 I198 Y202 P214Q101-V103 HydrophobicContact CG-CG2 4.43Å; Q101-V103 PolarHBondContact O-N 3.49Å; V103-I198 HydrophobicContact CG1-CG2 3.58Å; V103-Y202 HydrophobicContact CG1-CG 4.36Å; V103-Y202 HydrophobicContact CG2-CD1 4.2Å; V103-P214 HydrophobicContact CG2-CB 4.29Å
104P82.9Confident80.1Confident18 Ų1864.9 Ų64.912%0.11737%0.369CS..SBendtrans-65.3153.7179.727.7-34.8000111.7L190 I198 Y202 H217P104-L190 HydrophobicContact CB-CB 4.08Å; P104-I198 HydrophobicContact CG-CD1 4.29Å; P104-I198 HydrophobicContact CG-CG1 4.21Å; P104-I198 HydrophobicContact CG-CG2 4.34Å; P104-Y202 HydrophobicContact CG-CE2 4.09Å; P104-H217 PolarHBondContact O-NE2 3.27Å
105N81.4Confident80.3Confident66 Ų6659.6 Ų59.635%0.35333%0.331SS..SBendtrans50.259.5176.4-59.7-17.3000113.8Q191 I198 H217N105-Q191 PolarHBondContact ND2-O 3.48Å; N105-I198 HydrophobicContact CB-CD1 4.39Å; N105-H217 PolarHBondContact O-NE2 2.92Å
106P81.5Confident80.7Confident80 Ų8060.2 Ų60.252%0.51933%0.327SS..PPolyproline II helixtrans-61.7134.7172.628.1-33.5000109.8L108P106-L108 PolarHBondContact O-N 3.23Å
107P80.6Confident81.1Confident38 Ų3858.3 Ų58.325%0.24731%0.311CS..PPolyproline II helixtrans-63.4135.1175.627.9-34.1000109.6D216P107-D216 HydrophobicContact CG-CB 3.45Å; P107-D216 VanDerWaalsContact CG-CB 3.45Å
108L81.1Confident81.8Confident96 Ų9664.4 Ų64.450%0.50334%0.341SS..PPolyproline II helixtrans-71.6146.4176-63.5173000110.4V77 P106 Y110V77-L108 HydrophobicContact CG1-CB 4.43Å; V77-L108 HydrophobicContact CG1-CD1 4.44Å; P106-L108 PolarHBondContact O-N 3.23Å; L108-Y110 HydrophobicContact CB-CE1 4.47Å; L108-Y110 HydrophobicContact CB-CE2 3.96Å; L108-Y110 WeakPolarHBondContact O-CD2 3.47Å; L108-Y110 WeakPolarHBondContact O-CE2 3.27Å
109E78.1Confident82.2Confident32 Ų3264.9 Ų64.915%0.1533%0.334CS..EExtended strand (participates in β ladder)trans-88147.2170.5-74.3-177.4-155.600110.9V77 V78 R334V77-E109 WeakPolarHBondContact CA-O 3.14Å; V78-E109 HydrophobicContact CB-CB 4.19Å; V78-E109 PolarHBondContact N-O 2.63Å; E109-R334 IonicContact OE1-CZ 2.93Å; E109-R334 IonicContact OE1-NE 3.28Å; E109-R334 PolarHBondContact OE1-NE 3.22Å; E109-R334 IonicContact OE1-NH2 3.48Å; E109-R334 PolarHBondContact OE1-NH2 2.97Å
110Y80.6Confident82.4Confident73 Ų7364 Ų6429%0.28633%0.33SS..EExtended strand (participates in β ladder)trans-133.7149.4-179.1-56.6-86.9000110.8P74 Q76 V77 L108 L124P74-Y110 HydrophobicContact CB-CD1 3.52Å; P74-Y110 HydrophobicContact CB-CD2 4.04Å; P74-Y110 HydrophobicContact CB-CE1 4.13Å; P74-Y110 HydrophobicContact CB-CG 3.45Å; P74-Y110 VanDerWaalsContact CB-CG 3.45Å; Q76-Y110 CarbonylContact O-C 3.56Å; Q76-Y110 WeakPolarHBondContact O-CA 3.29Å; V77-Y110 HydrophobicContact CB-CD1 4.48Å; V77-Y110 HydrophobicContact CG2-CD1 3.94Å; V77-Y110 HydrophobicContact CG2-CE1 3.62Å; L108-Y110 HydrophobicContact CB-CE1 4.47Å; L108-Y110 HydrophobicContact CB-CE2 3.96Å; L108-Y110 WeakPolarHBondContact O-CD2 3.47Å; L108-Y110 WeakPolarHBondContact O-CE2 3.27Å; Y110-L124 HydrophobicContact CD1-CD1 3.99Å; Y110-L124 HydrophobicContact CE1-CD1 4.13Å
111Y79.6Confident82.7Confident43 Ų4371.6 Ų71.617%0.16936%0.362CS..EExtended strand (participates in β ladder)trans-72.4126.1153.3-74.1-62.6000108.1L75 Q76 V78 K764 E768 M771L75-Y111 WeakPolarHBondContact CB-O 3.38Å; L75-Y111 PolarHBondContact N-O 3.28Å; Q76-Y111 HydrophobicContact CB-CD2 4.32Å; Q76-Y111 PolarHBondContact O-N 3.5Å; V78-Y111 HydrophobicContact CG2-CD1 4.37Å; V78-Y111 HydrophobicContact CG2-CD2 3.39Å; V78-Y111 HydrophobicContact CG2-CE1 4.36Å; V78-Y111 HydrophobicContact CG2-CE2 3.39Å; V78-Y111 HydrophobicContact CG2-CG 3.91Å; Y111-K764 HydrophobicContact CE1-CG 4.48Å; Y111-E768 HydrophobicContact CD1-CG 3.95Å; Y111-E768 VanDerWaalsContact CD1-OE1 3.3Å; Y111-E768 WeakPolarHBondContact CD1-OE1 3.07Å; Y111-E768 HydrophobicContact CE1-CG 3.96Å; Y111-E768 WeakPolarHBondContact CE1-OE1 3.45Å; Y111-M771 HydrophobicContact CD1-CE 4.49Å; Y111-M771 HydrophobicContact CE1-CE 4.39Å
112T83.1Confident82.7Confident28 Ų2875 Ų7517%0.17237%0.373CS..EExtended strand (participates in β ladder)trans-114155.6-177.175.30000111.9A73 D336A73-T112 VanDerWaalsContact O-CA 3.29Å; A73-T112 WeakPolarHBondContact O-CA 3.3Å; T112-D336 WeakPolarHBondContact CG2-OD2 3.45Å; T112-D336 PolarHBondContact OG1-OD1 2.94Å; T112-D336 PolarHBondContact OG1-OD2 3.47Å
113C82.1Confident83Confident46 Ų4667.9 Ų67.931%0.31133%0.334SS..EExtended strand (participates in β ladder)trans-142.5166.2165.678.40000110.8R72 A73 L75 F115 F123R72-C113 CarbonylContact C-O 3.55Å; R72-C113 VanDerWaalsContact CA-O 3.3Å; R72-C113 WeakPolarHBondContact CA-O 3.38Å; A73-C113 PolarHBondContact N-O 3.24Å; A73-C113 PolarHBondContact O-N 3.36Å; L75-C113 HydrophobicContact CD1-CB 3.7Å; L75-C113 VanDerWaalsContact CD1-SG 3.58Å; C113-F115 PolarHBondContact O-N 3.42Å; C113-F123 WeakPolarHBondContact SG-CE1 3.48Å
114Q84.5Confident83.1Confident79 Ų7969.9 Ų69.937%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-55.7131.4175.3-69.4179.6-5.100111.2
115F87.1Confident83.1Confident2 Ų271.1 Ų71.11%0.00936%0.359CS..  trans-68.8130.8179.8-179.9-99.8000110.3C63 A66 E67 L71 A73 C113 N117 L120 F123 F132 F133C63-F115 HydrophobicContact CB-CE1 4.15Å; C63-F115 HydrophobicContact CB-CZ 4.32Å; A66-F115 HydrophobicContact CB-CD1 3.73Å; A66-F115 HydrophobicContact CB-CE1 4.06Å; A66-F115 HydrophobicContact CB-CG 4.43Å; E67-F115 HydrophobicContact CB-CD1 4.22Å; L71-F115 WeakPolarHBondContact O-CB 3.5Å; L71-F115 PolarHBondContact O-N 3Å; A73-F115 HydrophobicContact CB-CB 4.18Å; A73-F115 HydrophobicContact CB-CD2 3.95Å; C113-F115 PolarHBondContact O-N 3.42Å; F115-N117 HydrophobicContact CE1-CB 4.41Å; F115-L120 HydrophobicContact CE2-CD1 3.74Å; F115-L120 HydrophobicContact CZ-CD1 4Å; F115-F123 HydrophobicContact CD2-CD2 4.18Å; F115-F123 AromaticContact CD2-CE2 3.92Å; F115-F123 HydrophobicContact CD2-CE2 3.92Å; F115-F123 HydrophobicContact CD2-CZ 4.29Å; F115-F123 HydrophobicContact CE2-CD2 4.32Å; F115-F123 HydrophobicContact CE2-CE2 4.33Å; F115-F132 HydrophobicContact CD2-CE1 4.12Å; F115-F132 HydrophobicContact CD2-CZ 4.12Å; F115-F132 AromaticContact CE2-CE1 3.65Å; F115-F132 HydrophobicContact CE2-CE1 3.65Å; F115-F132 AromaticContact CE2-CZ 3.81Å; F115-F132 HydrophobicContact CE2-CZ 3.81Å; F115-F132 HydrophobicContact CZ-CE1 4.47Å; F115-F133 HydrophobicContact CE1-CZ 4.27Å; F115-F133 HydrophobicContact CE2-CZ 4.28Å; F115-F133 HydrophobicContact CZ-CZ 4.01Å
116R86.9Confident83.2Confident112 Ų11268.9 Ų68.942%0.42335%0.349SS..  trans-134.1122.3174.6-69.2-65.1-175.9174.7-5.4108.1E67 N118 K119E67-R116 WeakPolarHBondContact OE1-CD 3.46Å; E67-R116 IonicContact OE1-CZ 3.7Å; E67-R116 IonicContact OE1-NE 3.82Å; E67-R116 IonicContact OE1-NH1 2.8Å; E67-R116 PolarHBondContact OE1-NH1 3.02Å; R116-N118 PolarHBondContact O-N 2.86Å; R116-K119 PolarHBondContact O-N 2.67Å
117N85.5Confident83.3Confident70 Ų7072.6 Ų72.637%0.37436%0.364SS..G310 helixtrans-61.7-33.3-176.7-168.139.8000111.7E67 F115 K119 L120E67-N117 WeakPolarHBondContact OE2-CB 3.31Å; E67-N117 PolarHBondContact OE2-N 3.03Å; F115-N117 HydrophobicContact CE1-CB 4.41Å; N117-K119 PolarHBondContact O-N 2.69Å; N117-K119 VanDerWaalsContact O-N 3.11Å; N117-L120 PolarHBondContact O-N 3.18Å
118N85.5Confident83.6Confident154 Ų15474.6 Ų74.682%0.82437%0.373SS*.G310 helixtrans-65.5-12.4177.9-63.9-0.4000114.4R116R116-N118 PolarHBondContact O-N 2.86Å
119K84Confident83.9Confident96 Ų9676 Ų7642%0.41738%0.375SS..G310 helixtrans-122.326.9-178.8-62.6-174.2179.4-179.10111.9R116 N117 E121 R122 F123R116-K119 PolarHBondContact O-N 2.67Å; N117-K119 PolarHBondContact O-N 2.69Å; N117-K119 VanDerWaalsContact O-N 3.11Å; K119-E121 VanDerWaalsContact C-N 3.26Å; K119-E121 PolarHBondContact O-N 3.12Å; K119-R122 WeakPolarHBondContact O-CB 3.39Å; K119-R122 PolarHBondContact O-N 3.4Å; K119-F123 WeakPolarHBondContact O-CD2 3.28Å
120L84.7Confident84.1Confident37 Ų3782.5 Ų82.519%0.19441%0.405CS..G310 helixtrans-52.6-42.5-173-175.464.6000113.2W59 F115 N117 R122 F123 S126 F132W59-L120 HydrophobicContact CZ2-CD1 4.17Å; W59-L120 HydrophobicContact CZ2-CD2 4.07Å; F115-L120 HydrophobicContact CE2-CD1 3.74Å; F115-L120 HydrophobicContact CZ-CD1 4Å; N117-L120 PolarHBondContact O-N 3.18Å; L120-R122 PolarHBondContact O-N 3.34Å; L120-R122 VanDerWaalsContact O-N 3.08Å; L120-F123 PolarHBondContact O-N 2.99Å; L120-F123 VanDerWaalsContact O-N 3.15Å; L120-S126 WeakPolarHBondContact O-CB 3.07Å; L120-F132 HydrophobicContact CD1-CZ 4.33Å
121E83.6Confident84.4Confident186 Ų18683.5 Ų83.587%0.86942%0.419SS*.G310 helixtrans-63.3-14.7-178.3-61.5-179.3177.900114.2K119K119-E121 VanDerWaalsContact C-N 3.26Å; K119-E121 PolarHBondContact O-N 3.12Å
122R82.7Confident84.8Confident130 Ų13082.3 Ų82.349%0.49142%0.415SS..G310 helixtrans-86-12.9-179.5-141.9171.1-176.5162.5-1.8112.6L75 K119 L120L75-R122 HydrophobicContact CD2-CG 4.48Å; K119-R122 WeakPolarHBondContact O-CB 3.39Å; K119-R122 PolarHBondContact O-N 3.4Å; L120-R122 PolarHBondContact O-N 3.34Å; L120-R122 VanDerWaalsContact O-N 3.08Å
123F85.8Confident85.2Confident8 Ų881.5 Ų81.54%0.03541%0.409CS..SBendtrans-91.9142.3-179.4-63.4-74000111.2A73 P74 L75 C113 F115 K119 L120 S126 F132A73-F123 HydrophobicContact CB-CD1 3.51Å; A73-F123 HydrophobicContact CB-CE1 3.6Å; A73-F123 HydrophobicContact CB-CG 4.13Å; A73-F123 HydrophobicContact CB-CZ 4.3Å; P74-F123 WeakPolarHBondContact O-CA 3.47Å; L75-F123 HydrophobicContact CD2-CD1 4.39Å; L75-F123 HydrophobicContact CD2-CE1 4.5Å; C113-F123 WeakPolarHBondContact SG-CE1 3.48Å; F115-F123 HydrophobicContact CD2-CD2 4.18Å; F115-F123 AromaticContact CD2-CE2 3.92Å; F115-F123 HydrophobicContact CD2-CE2 3.92Å; F115-F123 HydrophobicContact CD2-CZ 4.29Å; F115-F123 HydrophobicContact CE2-CD2 4.32Å; F115-F123 HydrophobicContact CE2-CE2 4.33Å; K119-F123 WeakPolarHBondContact O-CD2 3.28Å; L120-F123 PolarHBondContact O-N 2.99Å; L120-F123 VanDerWaalsContact O-N 3.15Å; F123-S126 WeakPolarHBondContact O-CB 3.46Å; F123-S126 PolarHBondContact O-N 3.22Å; F123-S126 PolarHBondContact O-OG 3.01Å; F123-F132 HydrophobicContact CB-CE2 3.76Å; F123-F132 HydrophobicContact CB-CZ 3.97Å; F123-F132 HydrophobicContact CG-CZ 4.38Å
124L83.6Confident85.5Confident74 Ų7482.7 Ų82.739%0.38741%0.409SS..THydrogen-bonded Turntrans-66.5136.7177.3-69.9173.3000111.2P74 L75 V77 Y110 S126P74-L124 HydrophobicContact CG-CB 4.49Å; P74-L124 PolarHBondContact O-N 2.91Å; L75-L124 WeakPolarHBondContact O-CD1 3.3Å; L75-L124 VanDerWaalsContact O-CG 3.3Å; L75-L124 WeakPolarHBondContact O-CG 3.46Å; V77-L124 HydrophobicContact CG2-CD1 3.89Å; Y110-L124 HydrophobicContact CD1-CD1 3.99Å; Y110-L124 HydrophobicContact CE1-CD1 4.13Å; L124-S126 VanDerWaalsContact C-N 3.31Å
125G82.7Confident85.8Confident43 Ų4381.3 Ų81.344%0.44341%0.406SS..THydrogen-bonded Turntrans77.812.9178.800000114.4D127 N128G125-D127 PolarHBondContact O-N 3.3Å; G125-D127 VanDerWaalsContact O-N 3.14Å; G125-N128 PolarHBondContact O-N 3.35Å
126S84.4Confident85.9Confident19 Ų1981.8 Ų81.813%0.13341%0.409CS..THydrogen-bonded Turntrans-57.4-24.1176.155.10000113.8L120 F123 L124 N128L120-S126 WeakPolarHBondContact O-CB 3.07Å; F123-S126 WeakPolarHBondContact O-CB 3.46Å; F123-S126 PolarHBondContact O-N 3.22Å; F123-S126 PolarHBondContact O-OG 3.01Å; L124-S126 VanDerWaalsContact C-N 3.31Å; S126-N128 VanDerWaalsContact C-N 3.33Å; S126-N128 PolarHBondContact O-N 2.91Å
127D83.4Confident86.1Confident158 Ų15878.1 Ų78.185%0.84540%0.397SS*.THydrogen-bonded Turntrans-69-31.3-177.4-55.3-32.2000112.5G125G125-D127 PolarHBondContact O-N 3.3Å; G125-D127 VanDerWaalsContact O-N 3.14Å
128N87.4Confident86.4Confident80 Ų8076.8 Ų76.843%0.42839%0.386SS..  trans-108.997.9-178.8-167-5.7000111.8G125 S126 E130 T131 F132G125-N128 PolarHBondContact O-N 3.35Å; S126-N128 VanDerWaalsContact C-N 3.33Å; S126-N128 PolarHBondContact O-N 2.91Å; N128-E130 PolarHBondContact O-N 3.16Å; N128-E130 PolarHBondContact OD1-N 3.39Å; N128-T131 WeakPolarHBondContact CB-OG1 3.37Å; N128-T131 VanDerWaalsContact CG-OG1 3.3Å; N128-T131 PolarHBondContact ND2-OG1 2.92Å; N128-T131 PolarHBondContact O-N 3.12Å; N128-T131 PolarHBondContact O-OG1 2.94Å; N128-F132 WeakPolarHBondContact O-CB 3.44Å; N128-F132 PolarHBondContact O-N 3.34Å
129K86.6Confident86.8Confident127 Ų12769.5 Ų69.555%0.55235%0.347SS*.THydrogen-bonded Turntrans-61.5-25.8-177.8-63.9-179.3-176.8175.60114W59W59-K129 HydrophobicContact CD2-CB 4.06Å; W59-K129 HydrophobicContact CD2-CD 4.25Å; W59-K129 HydrophobicContact CD2-CG 4.08Å; W59-K129 HydrophobicContact CE3-CB 3.84Å; W59-K129 HydrophobicContact CE3-CG 4.3Å; W59-K129 HydrophobicContact CG-CD 4.23Å; W59-K129 HydrophobicContact CH2-CG 4.49Å; W59-K129 HydrophobicContact CZ2-CG 4.29Å; W59-K129 HydrophobicContact CZ3-CB 4.08Å; W59-K129 HydrophobicContact CZ3-CG 4.49Å; W59-K129 WeakPolarHBondContact CZ3-O 3.48Å
130E83.3Confident87.1Confident167 Ų16766.3 Ų66.378%0.7834%0.335SS*.THydrogen-bonded Turntrans-78.4-36.3-178.2-63.1-163.9167.500112.1N128N128-E130 PolarHBondContact O-N 3.16Å; N128-E130 PolarHBondContact OD1-N 3.39Å
131T84.9Confident87.5Confident94 Ų9464.6 Ų64.658%0.57733%0.326SS*.THydrogen-bonded Turntrans-98.7-14.2-174.7580000113.9N128N128-T131 WeakPolarHBondContact CB-OG1 3.37Å; N128-T131 VanDerWaalsContact CG-OG1 3.3Å; N128-T131 PolarHBondContact ND2-OG1 2.92Å; N128-T131 PolarHBondContact O-N 3.12Å; N128-T131 PolarHBondContact O-OG1 2.94Å
132F89.9Confident87.9Confident19 Ų1955.8 Ų55.88%0.08328%0.284CS..SBendtrans-58.8-51.2-177.2180-97.3000112.7W59 A73 F115 L120 F123 N128W59-F132 HydrophobicContact CH2-CB 3.87Å; W59-F132 AromaticContact CH2-CD1 3.54Å; W59-F132 HydrophobicContact CH2-CD1 3.54Å; W59-F132 HydrophobicContact CH2-CE1 4.33Å; W59-F132 AromaticContact CH2-CG 3.87Å; W59-F132 HydrophobicContact CH2-CG 3.87Å; W59-F132 HydrophobicContact CZ3-CB 4Å; W59-F132 HydrophobicContact CZ3-CD1 4.05Å; W59-F132 HydrophobicContact CZ3-CG 4.38Å; A73-F132 HydrophobicContact CB-CZ 4.25Å; F115-F132 HydrophobicContact CD2-CE1 4.12Å; F115-F132 HydrophobicContact CD2-CZ 4.12Å; F115-F132 AromaticContact CE2-CE1 3.65Å; F115-F132 HydrophobicContact CE2-CE1 3.65Å; F115-F132 AromaticContact CE2-CZ 3.81Å; F115-F132 HydrophobicContact CE2-CZ 3.81Å; F115-F132 HydrophobicContact CZ-CE1 4.47Å; L120-F132 HydrophobicContact CD1-CZ 4.33Å; F123-F132 HydrophobicContact CB-CE2 3.76Å; F123-F132 HydrophobicContact CB-CZ 3.97Å; F123-F132 HydrophobicContact CG-CZ 4.38Å; N128-F132 WeakPolarHBondContact O-CB 3.44Å; N128-F132 PolarHBondContact O-N 3.34Å
133F90.4Very high88.4Confident10 Ų1052.2 Ų52.24%0.04427%0.271CS..SBendtrans-88.2120.4174.2-70.7-65.3000110.1W59 L62 A66 F115 R138W59-F133 AromaticContact CE3-CD2 3.98Å; W59-F133 HydrophobicContact CE3-CD2 3.98Å; W59-F133 HydrophobicContact CE3-CE2 4.05Å; W59-F133 HydrophobicContact CH2-CD2 4.02Å; W59-F133 AromaticContact CH2-CE2 3.72Å; W59-F133 HydrophobicContact CH2-CE2 3.72Å; W59-F133 HydrophobicContact CZ2-CE2 4.41Å; W59-F133 AromaticContact CZ3-CD2 3.4Å; W59-F133 HydrophobicContact CZ3-CD2 3.4Å; W59-F133 AromaticContact CZ3-CE2 3.51Å; W59-F133 HydrophobicContact CZ3-CE2 3.51Å; L62-F133 HydrophobicContact CB-CD2 3.95Å; L62-F133 HydrophobicContact CB-CE2 3.88Å; L62-F133 HydrophobicContact CD1-CD2 4.13Å; A66-F133 HydrophobicContact CB-CE1 3.73Å; A66-F133 HydrophobicContact CB-CZ 3.81Å; F115-F133 HydrophobicContact CE1-CZ 4.27Å; F115-F133 HydrophobicContact CE2-CZ 4.28Å; F115-F133 HydrophobicContact CZ-CZ 4.01Å; F133-R138 HydrophobicContact CB-CG 3.98Å
134K88.9Confident88.6Confident72 Ų7253.7 Ų53.731%0.31328%0.278SS..  trans-61.2152.4174.8-65.1169.9167.8-161.40110.8T136 Q137 R138 E220K134-T136 PolarHBondContact O-N 3.28Å; K134-Q137 HydrophobicContact CB-CB 4.49Å; K134-Q137 HydrophobicContact CB-CG 4.21Å; K134-Q137 VanDerWaalsContact N-OE1 3.08Å; K134-Q137 WeakPolarHBondContact O-CB 3.42Å; K134-Q137 PolarHBondContact O-N 2.99Å; K134-R138 WeakPolarHBondContact O-CG 3.24Å; K134-R138 PolarHBondContact O-N 3.33Å; K134-E220 WeakPolarHBondContact CD-OE1 3.34Å; K134-E220 WeakPolarHBondContact CE-OE1 3.44Å; K134-E220 IonicContact NZ-OE1 3.95Å; K134-E220 PolarHBondContact NZ-OE1 3.07Å; K134-E220 IonicContact NZ-OE2 3.38Å; K134-E220 PolarHBondContact NZ-OE2 2.99Å
135T89.7Confident89Confident49 Ų4950.2 Ų50.230%0.30126%0.26SS..Hα-helixtrans-52.3-41.5176.6-42.70000111.8R138 H139 E178T135-R138 WeakPolarHBondContact O-CB 3.41Å; T135-R138 PolarHBondContact O-N 3.05Å; T135-H139 PolarHBondContact O-CD2 3.04Å; T135-H139 VanDerWaalsContact O-CD2 3.26Å; T135-H139 PolarHBondContact O-N 3.31Å; T135-E178 WeakPolarHBondContact CB-OE1 3.28Å; T135-E178 WeakPolarHBondContact CG2-OE1 3.18Å; T135-E178 PolarHBondContact OG1-OE1 3.02Å
136T90.3Very high89.5Confident12 Ų1248.2 Ų48.27%0.07424%0.239CC..Hα-helixtrans-63.3-43.5177.147.70000113K134 R138 H139 I140 E220 V637K134-T136 PolarHBondContact O-N 3.28Å; T136-R138 VanDerWaalsContact C-N 3.33Å; T136-R138 PolarHBondContact O-N 3.19Å; T136-H139 WeakPolarHBondContact O-CB 3.45Å; T136-H139 PolarHBondContact O-N 3.38Å; T136-I140 WeakPolarHBondContact O-CG1 3.23Å; T136-I140 PolarHBondContact O-N 2.79Å; T136-E220 WeakPolarHBondContact CG2-O 3.38Å; T136-V637 HydrophobicContact CG2-CG2 3.75Å
137Q90.7Very high89.7Confident35 Ų3547.5 Ų47.516%0.16424%0.235CC..Hα-helixtrans-63.5-39.6175.8-67.6174.2-31.500111.7L71 K134 H139 I140 V141L71-Q137 HydrophobicContact CD1-CB 4.27Å; K134-Q137 HydrophobicContact CB-CB 4.49Å; K134-Q137 HydrophobicContact CB-CG 4.21Å; K134-Q137 VanDerWaalsContact N-OE1 3.08Å; K134-Q137 WeakPolarHBondContact O-CB 3.42Å; K134-Q137 PolarHBondContact O-N 2.99Å; Q137-H139 VanDerWaalsContact C-N 3.31Å; Q137-H139 PolarHBondContact O-N 3.18Å; Q137-I140 PolarHBondContact O-N 3.25Å; Q137-V141 WeakPolarHBondContact O-CG2 2.83Å; Q137-V141 PolarHBondContact O-N 3.37Å; Q137-V141 VanDerWaalsContact O-N 3.08Å
138R92.5Very high89.9Confident43 Ų4344 Ų4416%0.16221%0.21CC..Hα-helixtrans-61.9-40.4174.3-62170.468.593.49.9111.3D2 L62 F133 K134 T135 T136 V141 L142D2-R138 IonicContact OD1-NE 3.46Å; D2-R138 PolarHBondContact OD1-NE 3.39Å; D2-R138 IonicContact OD1-NH2 3.96Å; D2-R138 IonicContact OD2-CZ 3.68Å; D2-R138 VanDerWaalsContact OD2-CZ 3.28Å; D2-R138 IonicContact OD2-NE 3.91Å; D2-R138 PolarHBondContact OD2-NE 3.02Å; D2-R138 IonicContact OD2-NH2 2.9Å; D2-R138 PolarHBondContact OD2-NH2 3.47Å; L62-R138 HydrophobicContact CD1-CG 4.28Å; L62-R138 HydrophobicContact CD2-CB 4.44Å; L62-R138 HydrophobicContact CD2-CG 4.26Å; F133-R138 HydrophobicContact CB-CG 3.98Å; K134-R138 WeakPolarHBondContact O-CG 3.24Å; K134-R138 PolarHBondContact O-N 3.33Å; T135-R138 WeakPolarHBondContact O-CB 3.41Å; T135-R138 PolarHBondContact O-N 3.05Å; T136-R138 VanDerWaalsContact C-N 3.33Å; T136-R138 PolarHBondContact O-N 3.19Å; R138-V141 PolarHBondContact O-N 3.15Å; R138-L142 WeakPolarHBondContact O-CB 3.27Å; R138-L142 WeakPolarHBondContact O-CG 3.33Å; R138-L142 PolarHBondContact O-N 3.03Å
139H92.2Very high90.1Very high1 Ų140.7 Ų40.71%0.00519%0.192CC..Hα-helixtrans-64.4-43176-63.2171000112.6D2 T135 T136 Q137 V141 L142 Y143 P175 R634D2-H139 PolarHBondContact O-CD2 3.11Å; D2-H139 PolarHBondContact O-NE2 3.03Å; D2-H139 VanDerWaalsContact O-NE2 3.12Å; T135-H139 PolarHBondContact O-CD2 3.04Å; T135-H139 VanDerWaalsContact O-CD2 3.26Å; T135-H139 PolarHBondContact O-N 3.31Å; T136-H139 WeakPolarHBondContact O-CB 3.45Å; T136-H139 PolarHBondContact O-N 3.38Å; Q137-H139 VanDerWaalsContact C-N 3.31Å; Q137-H139 PolarHBondContact O-N 3.18Å; H139-V141 PolarHBondContact O-N 2.87Å; H139-L142 PolarHBondContact O-N 3.32Å; H139-Y143 WeakPolarHBondContact O-CB 3.5Å; H139-Y143 PolarHBondContact O-N 3.08Å; H139-P175 HydrophobicContact CB-CB 4.42Å; H139-P175 VanDerWaalsContact CE1-CB 3.47Å; H139-P175 WeakPolarHBondContact CE1-CB 3.4Å; H139-P175 WeakPolarHBondContact ND1-CB 3.02Å; H139-R634 PolarHBondContact CE1-NH1 3.43Å
140I91.2Very high90.3Very high29 Ų2936.3 Ų36.315%0.14918%0.177CC..Hα-helixtrans-57.6-50.6175.9-66.3168.4000109.9I69 T136 Q137 L142 Y143 E144 V637 R639I69-I140 HydrophobicContact CD1-CG2 4.01Å; T136-I140 WeakPolarHBondContact O-CG1 3.23Å; T136-I140 PolarHBondContact O-N 2.79Å; Q137-I140 PolarHBondContact O-N 3.25Å; I140-L142 PolarHBondContact O-N 3.21Å; I140-Y143 PolarHBondContact O-N 3.06Å; I140-E144 WeakPolarHBondContact O-CB 3.42Å; I140-E144 PolarHBondContact O-N 3.47Å; I140-V637 HydrophobicContact CD1-CB 4.32Å; I140-V637 HydrophobicContact CD1-CG1 3.76Å; I140-V637 HydrophobicContact CG1-CB 3.87Å; I140-V637 HydrophobicContact CG1-CG1 3.88Å; I140-R639 HydrophobicContact CD1-CG 4.49Å
141V92.4Very high90.5Very high1 Ų128.3 Ų28.31%0.00614%0.139CC..Hα-helixtrans-60.2-45.1179.8169.80000111.4L62 Y65 I69 L71 Q137 R138 H139 E144 I145L62-V141 HydrophobicContact CD2-CB 4.11Å; L62-V141 HydrophobicContact CD2-CG1 3.94Å; L62-V141 HydrophobicContact CD2-CG2 4.44Å; Y65-V141 VanDerWaalsContact CB-CG1 3.5Å; Y65-V141 HydrophobicContact CD2-CG1 4.41Å; Y65-V141 HydrophobicContact CG-CG1 4.13Å; I69-V141 HydrophobicContact CD1-CG2 3.79Å; L71-V141 HydrophobicContact CD1-CG2 4.26Å; Q137-V141 WeakPolarHBondContact O-CG2 2.83Å; Q137-V141 PolarHBondContact O-N 3.37Å; Q137-V141 VanDerWaalsContact O-N 3.08Å; R138-V141 PolarHBondContact O-N 3.15Å; H139-V141 PolarHBondContact O-N 2.87Å; V141-E144 PolarHBondContact O-N 2.84Å; V141-I145 HydrophobicContact CG1-CD1 4.08Å; V141-I145 VanDerWaalsContact O-CG1 3.32Å; V141-I145 WeakPolarHBondContact O-CG1 3.34Å; V141-I145 PolarHBondContact O-N 3.08Å; V141-I145 VanDerWaalsContact O-N 3.14Å
142L93.4Very high90.6Very high0 Ų024.6 Ų24.60%012%0.119CC..Hα-helixtrans-64.8-44.3179.6-79.2166.2000112.5D2 F3 L36 A57 R138 H139 I140 E144 I145 L146D2-L142 HydrophobicContact CB-CD1 3.37Å; F3-L142 HydrophobicContact CB-CD1 4.17Å; F3-L142 HydrophobicContact CD2-CB 4.37Å; L36-L142 HydrophobicContact CD2-CD2 3.41Å; L36-L142 VanDerWaalsContact CD2-CD2 3.41Å; A57-L142 HydrophobicContact CB-CD2 3.92Å; A57-L142 HydrophobicContact CB-CG 4.25Å; R138-L142 WeakPolarHBondContact O-CB 3.27Å; R138-L142 WeakPolarHBondContact O-CG 3.33Å; R138-L142 PolarHBondContact O-N 3.03Å; H139-L142 PolarHBondContact O-N 3.32Å; I140-L142 PolarHBondContact O-N 3.21Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 3.4Å; L142-I145 PolarHBondContact O-N 2.95Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.21Å
143Y92.4Very high90.1Very high55 Ų5527 Ų2722%0.21614%0.138CC..Hα-helixtrans-63.1-39.7177.2-176.7-106.9000111.3F3 H139 I140 I145 L146 A147 I161 D162 V636F3-Y143 HydrophobicContact CZ-CD2 4.2Å; H139-Y143 WeakPolarHBondContact O-CB 3.5Å; H139-Y143 PolarHBondContact O-N 3.08Å; I140-Y143 PolarHBondContact O-N 3.06Å; Y143-I145 VanDerWaalsContact C-N 3.31Å; Y143-I145 PolarHBondContact O-N 3.32Å; Y143-L146 PolarHBondContact O-N 3.46Å; Y143-L146 VanDerWaalsContact O-N 3.11Å; Y143-A147 HydrophobicContact CE1-CB 4.42Å; Y143-A147 VanDerWaalsContact O-CB 3.31Å; Y143-A147 WeakPolarHBondContact O-CB 3.46Å; Y143-A147 PolarHBondContact O-N 2.75Å; Y143-I161 HydrophobicContact CE2-CG2 4.22Å; Y143-D162 PolarHBondContact OH-OD1 3.19Å; Y143-D162 PolarHBondContact OH-OD2 2.87Å; Y143-V636 HydrophobicContact CD1-CG1 3.69Å; Y143-V636 HydrophobicContact CD2-CB 4.5Å; Y143-V636 HydrophobicContact CD2-CG1 3.93Å; Y143-V636 HydrophobicContact CD2-CG2 3.87Å; Y143-V636 HydrophobicContact CE1-CG1 4.23Å; Y143-V636 HydrophobicContact CE2-CG1 4.48Å; Y143-V636 HydrophobicContact CE2-CG2 4.17Å; Y143-V636 HydrophobicContact CG-CG1 3.5Å; Y143-V636 HydrophobicContact CG-CG2 4.31Å
144E89.7Confident89.4Confident40 Ų4030 Ų3019%0.18716%0.157CC..Hα-helixtrans-60.6-40.3176.6-172.768.2178.100112.2I69 I140 V141 L142 R148 R346I69-E144 HydrophobicContact CG2-CG 4.04Å; I140-E144 WeakPolarHBondContact O-CB 3.42Å; I140-E144 PolarHBondContact O-N 3.47Å; V141-E144 PolarHBondContact O-N 2.84Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 3.4Å; E144-R148 WeakPolarHBondContact O-CB 3.47Å; E144-R148 WeakPolarHBondContact O-CD 3.39Å; E144-R148 VanDerWaalsContact O-CG 3.27Å; E144-R148 WeakPolarHBondContact O-CG 3.33Å; E144-R148 PolarHBondContact O-N 3.47Å; E144-R148 IonicContact OE1-CZ 3.43Å; E144-R148 IonicContact OE1-NE 3.7Å; E144-R148 PolarHBondContact OE1-NE 2.84Å; E144-R148 IonicContact OE1-NH2 2.63Å; E144-R148 PolarHBondContact OE1-NH2 3.07Å; E144-R346 IonicContact OE1-NH1 2.95Å
145I92.4Very high88.6Confident1 Ų133.8 Ų33.81%0.00518%0.181CC..Hα-helixtrans-64.7-46174.3-62.6163.5000110.3L31 V34 L36 L61 Y65 V141 L142 Y143 A147 R148 T149L31-I145 HydrophobicContact CD2-CG2 4.04Å; V34-I145 HydrophobicContact CG1-CG2 4.06Å; L36-I145 HydrophobicContact CD1-CB 4.49Å; L36-I145 HydrophobicContact CD1-CG2 3.7Å; L36-I145 HydrophobicContact CD2-CD1 4.12Å; L36-I145 HydrophobicContact CG-CG2 4.49Å; L61-I145 HydrophobicContact CD2-CD1 4.01Å; L61-I145 HydrophobicContact CG-CD1 4.31Å; Y65-I145 HydrophobicContact CD1-CG1 4.22Å; Y65-I145 HydrophobicContact CD2-CD1 3.69Å; Y65-I145 HydrophobicContact CD2-CG1 3.88Å; Y65-I145 HydrophobicContact CE1-CG1 3.94Å; Y65-I145 HydrophobicContact CE2-CD1 3.62Å; Y65-I145 HydrophobicContact CE2-CG1 3.56Å; Y65-I145 HydrophobicContact CG-CD1 4.31Å; Y65-I145 HydrophobicContact CG-CG1 4.2Å; V141-I145 HydrophobicContact CG1-CD1 4.08Å; V141-I145 VanDerWaalsContact O-CG1 3.32Å; V141-I145 WeakPolarHBondContact O-CG1 3.34Å; V141-I145 PolarHBondContact O-N 3.08Å; V141-I145 VanDerWaalsContact O-N 3.14Å; L142-I145 PolarHBondContact O-N 2.95Å; Y143-I145 VanDerWaalsContact C-N 3.31Å; Y143-I145 PolarHBondContact O-N 3.32Å; I145-A147 PolarHBondContact O-N 3.03Å; I145-R148 PolarHBondContact O-N 3.13Å; I145-T149 HydrophobicContact CG2-CG2 4.01Å; I145-T149 WeakPolarHBondContact O-CB 3.5Å; I145-T149 WeakPolarHBondContact O-CG2 3.37Å; I145-T149 PolarHBondContact O-N 2.82Å; I145-T149 VanDerWaalsContact O-N 3.12Å; I145-T149 PolarHBondContact O-OG1 2.66Å
146L93Very high87.9Confident0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-64.2-39.9-179.4-70.3172.5000112.7F3 L5 F27 L31 L55 L142 Y143 R148 T149 G160 I161F3-L146 HydrophobicContact CD1-CD1 3.57Å; F3-L146 HydrophobicContact CE1-CD1 3.55Å; F3-L146 HydrophobicContact CG-CD1 4.15Å; F3-L146 HydrophobicContact CZ-CD1 4.1Å; L5-L146 HydrophobicContact CD1-CD2 4.34Å; L5-L146 HydrophobicContact CD2-CD1 4.36Å; L5-L146 HydrophobicContact CD2-CD2 4.46Å; F27-L146 HydrophobicContact CE1-CD2 4.11Å; F27-L146 HydrophobicContact CZ-CD2 4.1Å; L31-L146 HydrophobicContact CD1-CD2 3.77Å; L31-L146 HydrophobicContact CD2-CD2 3.86Å; L31-L146 HydrophobicContact CG-CD2 4.5Å; L55-L146 HydrophobicContact CD1-CD1 4.09Å; L55-L146 HydrophobicContact CD1-CD2 3.81Å; L55-L146 HydrophobicContact CD1-CG 4.4Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.34Å; L142-L146 PolarHBondContact O-N 3.21Å; Y143-L146 PolarHBondContact O-N 3.46Å; Y143-L146 VanDerWaalsContact O-N 3.11Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.44Å; L146-T149 PolarHBondContact O-OG1 3.47Å; L146-G160 WeakPolarHBondContact O-CA 3.4Å; L146-I161 HydrophobicContact CB-CB 4.15Å; L146-I161 HydrophobicContact CB-CG2 3.85Å; L146-I161 PolarHBondContact O-N 3.46Å; L146-I161 VanDerWaalsContact O-N 3.13Å
147A89.7Confident87.2Confident5 Ų539.3 Ų39.34%0.04120%0.196CC..Hα-helixtrans-70.3-28.2-179.100000112.7Y143 I145 G160 P349Y143-A147 HydrophobicContact CE1-CB 4.42Å; Y143-A147 VanDerWaalsContact O-CB 3.31Å; Y143-A147 WeakPolarHBondContact O-CB 3.46Å; Y143-A147 PolarHBondContact O-N 2.75Å; I145-A147 PolarHBondContact O-N 3.03Å; A147-G160 WeakPolarHBondContact O-CA 3.39Å; A147-P349 HydrophobicContact CB-CG 4.07Å; A147-P349 VanDerWaalsContact O-CB 3.28Å; A147-P349 WeakPolarHBondContact O-CB 3.46Å; A147-P349 WeakPolarHBondContact O-CG 3.38Å
148R87.8Confident87Confident85 Ų8538.7 Ų38.732%0.32119%0.193SC..Hα-helixtrans-94.9-22.3-177-71.4176.1174.3-143.7-9.2115.4E68 E144 I145 L146 P150 V159E68-R148 IonicContact OE1-NH1 3.53Å; E68-R148 PolarHBondContact OE1-NH1 2.64Å; E144-R148 WeakPolarHBondContact O-CB 3.47Å; E144-R148 WeakPolarHBondContact O-CD 3.39Å; E144-R148 VanDerWaalsContact O-CG 3.27Å; E144-R148 WeakPolarHBondContact O-CG 3.33Å; E144-R148 PolarHBondContact O-N 3.47Å; E144-R148 IonicContact OE1-CZ 3.43Å; E144-R148 IonicContact OE1-NE 3.7Å; E144-R148 PolarHBondContact OE1-NE 2.84Å; E144-R148 IonicContact OE1-NH2 2.63Å; E144-R148 PolarHBondContact OE1-NH2 3.07Å; I145-R148 PolarHBondContact O-N 3.13Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-R148 PolarHBondContact O-N 3.44Å; R148-P150 VanDerWaalsContact O-CD 3.31Å; R148-P150 WeakPolarHBondContact O-CD 3.47Å; R148-V159 VanDerWaalsContact O-CG1 3.28Å; R148-V159 WeakPolarHBondContact O-CG1 3.18Å
149T90.5Very high86.8Confident10 Ų1037.4 Ų37.46%0.06119%0.19CC..  trans-68.2121.3-172.241.80000110.6F27 L31 V34 I145 L146 G160F27-T149 WeakPolarHBondContact CE2-OG1 3.3Å; F27-T149 WeakPolarHBondContact CZ-OG1 3.27Å; L31-T149 HydrophobicContact CD2-CG2 3.79Å; V34-T149 HydrophobicContact CG2-CG2 4.36Å; I145-T149 HydrophobicContact CG2-CG2 4.01Å; I145-T149 WeakPolarHBondContact O-CB 3.5Å; I145-T149 WeakPolarHBondContact O-CG2 3.37Å; I145-T149 PolarHBondContact O-N 2.82Å; I145-T149 VanDerWaalsContact O-N 3.12Å; I145-T149 PolarHBondContact O-OG1 2.66Å; L146-T149 PolarHBondContact O-OG1 3.47Å; T149-G160 PolarHBondContact O-N 3.38Å
150P90Very high86.6Confident34 Ų3437.5 Ų37.522%0.22119%0.191CC..BIsolated β-bridgetrans-77.2133.4179.729.9-33.5000109.7R30 R148 V154 V159R30-P150 WeakPolarHBondContact CD-O 3.19Å; R30-P150 PolarHBondContact NE-O 3.5Å; R30-P150 VanDerWaalsContact NE-O 3.11Å; R148-P150 VanDerWaalsContact O-CD 3.31Å; R148-P150 WeakPolarHBondContact O-CD 3.47Å; P150-V154 HydrophobicContact CB-CG2 4.24Å; P150-V159 HydrophobicContact CB-CG2 4.03Å
151Y88.6Confident86.6Confident0 Ų036.2 Ų36.20%018%0.184CC..SBendtrans-96.7-21.8172.259.4-89.2000112.4W23 Q26 E158 R163 L164 E167W23-Y151 HydrophobicContact CB-CD2 3.9Å; W23-Y151 HydrophobicContact CB-CE2 4.42Å; W23-Y151 AromaticContact CD1-CD2 4Å; W23-Y151 HydrophobicContact CD2-CD2 4.22Å; W23-Y151 AromaticContact CD2-CE2 3.98Å; W23-Y151 HydrophobicContact CD2-CE2 3.98Å; W23-Y151 HydrophobicContact CE3-CE2 4.26Å; W23-Y151 AromaticContact CG-CD2 3.8Å; W23-Y151 HydrophobicContact CG-CD2 3.8Å; W23-Y151 HydrophobicContact CG-CE2 4.07Å; Q26-Y151 WeakPolarHBondContact CG-O 3.44Å; Q26-Y151 PolarHBondContact OE1-O 3.05Å; Y151-E158 WeakPolarHBondContact CD1-O 3.47Å; Y151-E158 HydrophobicContact CD2-CB 4.19Å; Y151-E158 HydrophobicContact CE1-CB 4.27Å; Y151-E158 HydrophobicContact CE2-CB 3.77Å; Y151-E158 HydrophobicContact CE2-CG 4.14Å; Y151-E158 PolarHBondContact N-O 3.31Å; Y151-E158 VanDerWaalsContact N-O 3.08Å; Y151-R163 VanDerWaalsContact OH-CD 3.31Å; Y151-R163 WeakPolarHBondContact OH-CD 3.32Å; Y151-R163 WeakPolarHBondContact OH-CG 3.39Å; Y151-R163 PolarHBondContact OH-NE 3.48Å; Y151-L164 HydrophobicContact CD1-CD1 3.74Å; Y151-L164 HydrophobicContact CD1-CD2 3.75Å; Y151-L164 HydrophobicContact CD1-CG 3.66Å; Y151-L164 HydrophobicContact CD2-CD2 3.8Å; Y151-L164 HydrophobicContact CE1-CD1 4.22Å; Y151-L164 HydrophobicContact CE1-CD2 3.72Å; Y151-L164 HydrophobicContact CE1-CG 3.63Å; Y151-L164 HydrophobicContact CE2-CD2 3.74Å; Y151-L164 HydrophobicContact CG-CD1 4.14Å; Y151-L164 HydrophobicContact CG-CD2 3.78Å; Y151-L164 HydrophobicContact CG-CG 4.18Å; Y151-E167 PolarHBondContact OH-OE2 3.21Å
152G85.9Confident86.3Confident15 Ų1539.7 Ų39.716%0.15520%0.203CC..SBendtrans-143.3-136.4-177.700000114.1V154 E158G152-V154 PolarHBondContact O-N 3.32Å; G152-E158 VanDerWaalsContact CA-OE2 3.23Å; G152-E158 WeakPolarHBondContact CA-OE2 3.19Å; G152-E158 PolarHBondContact N-O 3.33Å
153C81.3Confident86Confident71 Ų7142.5 Ų42.548%0.4821%0.213SC..  trans-76.8116.3179.3-70.90000111.5N155 R156 E158C153-N155 VanDerWaalsContact C-N 3.29Å; C153-N155 PolarHBondContact O-N 3.3Å; C153-R156 HydrophobicContact CB-CB 4.3Å; C153-R156 HydrophobicContact CB-CG 4.22Å; C153-R156 PolarHBondContact O-N 3.47Å; C153-E158 PolarHBondContact N-OE2 3.27Å; C153-E158 PolarHBondContact O-N 2.9Å
154V75.7Confident85.9Confident71 Ų7139.9 Ų39.943%0.4320%0.203SC..G310 helixtrans-57.2-41.3179.1-176.10000111.7P150 G152 R156 G157 A353P150-V154 HydrophobicContact CB-CG2 4.24Å; G152-V154 PolarHBondContact O-N 3.32Å; V154-R156 PolarHBondContact O-N 3.1Å; V154-R156 VanDerWaalsContact O-N 3.08Å; V154-G157 WeakPolarHBondContact O-CA 3.38Å; V154-G157 PolarHBondContact O-N 3.04Å; V154-A353 HydrophobicContact CG1-CB 4.17Å; V154-A353 VanDerWaalsContact O-O 3.12Å
155N71.2Confident86Confident153 Ų15340.5 Ų40.582%0.81821%0.207SC*.G310 helixtrans-62.6-18.7179.3-62.9-9.6000114.4C153C153-N155 VanDerWaalsContact C-N 3.29Å; C153-N155 PolarHBondContact O-N 3.3Å
156R75.9Confident85.7Confident174 Ų17444.8 Ų44.866%0.65724%0.237SC*.G310 helixtrans-95.52.2175.4-67.5-177.1177.4-177.9-1.6112.4C153 V154 E158 R163C153-R156 HydrophobicContact CB-CB 4.3Å; C153-R156 HydrophobicContact CB-CG 4.22Å; C153-R156 PolarHBondContact O-N 3.47Å; V154-R156 PolarHBondContact O-N 3.1Å; V154-R156 VanDerWaalsContact O-N 3.08Å; R156-E158 VanDerWaalsContact C-N 3.3Å; R156-E158 HydrophobicContact CB-CG 4.02Å; R156-E158 WeakPolarHBondContact CD-OE1 3.48Å; R156-R163 PolarHBondContact O-NH1 3.03Å
157G75.2Confident85.4Confident3 Ų347.4 Ų47.43%0.03125%0.249CC..THydrogen-bonded Turntrans69.623.7-173.900000113.9V154 V159 R163V154-G157 WeakPolarHBondContact O-CA 3.38Å; V154-G157 PolarHBondContact O-N 3.04Å; G157-V159 PolarHBondContact O-N 3.08Å; G157-R163 WeakPolarHBondContact O-CD 3.41Å; G157-R163 PolarHBondContact O-NH1 3.33Å
158E85.3Confident85.4Confident22 Ų2254.6 Ų54.610%0.10328%0.282CS..  trans-77.865179.5-67.1169.8-166.400110.4Y151 G152 C153 R156Y151-E158 WeakPolarHBondContact CD1-O 3.47Å; Y151-E158 HydrophobicContact CD2-CB 4.19Å; Y151-E158 HydrophobicContact CE1-CB 4.27Å; Y151-E158 HydrophobicContact CE2-CB 3.77Å; Y151-E158 HydrophobicContact CE2-CG 4.14Å; Y151-E158 PolarHBondContact N-O 3.31Å; Y151-E158 VanDerWaalsContact N-O 3.08Å; G152-E158 VanDerWaalsContact CA-OE2 3.23Å; G152-E158 WeakPolarHBondContact CA-OE2 3.19Å; G152-E158 PolarHBondContact N-O 3.33Å; C153-E158 PolarHBondContact N-OE2 3.27Å; C153-E158 PolarHBondContact O-N 2.9Å; R156-E158 VanDerWaalsContact C-N 3.3Å; R156-E158 HydrophobicContact CB-CG 4.02Å; R156-E158 WeakPolarHBondContact CD-OE1 3.48Å
159V88.3Confident85.5Confident16 Ų1650.5 Ų50.510%0.09727%0.267CS..BIsolated β-bridgetrans-136.1142.6-172.7-175.90000110.7R148 P150 G157 P349 A353R148-V159 VanDerWaalsContact O-CG1 3.28Å; R148-V159 WeakPolarHBondContact O-CG1 3.18Å; P150-V159 HydrophobicContact CB-CG2 4.03Å; G157-V159 PolarHBondContact O-N 3.08Å; V159-P349 HydrophobicContact CG1-CB 4.48Å; V159-A353 HydrophobicContact CB-CB 4.47Å; V159-A353 HydrophobicContact CG2-CB 3.88Å
160G88.3Confident85.6Confident3 Ų350.1 Ų50.13%0.03126%0.264CS..SBendtrans86.8159.3168.400000115.1L146 A147 T149L146-G160 WeakPolarHBondContact O-CA 3.4Å; A147-G160 WeakPolarHBondContact O-CA 3.39Å; T149-G160 PolarHBondContact O-N 3.38Å
161I90.9Very high85.6Confident1 Ų151.6 Ų51.61%0.00527%0.272CS..Hα-helixtrans-74.2-34.9-178.9-172.558.4000113L5 F27 Y143 L146 R163 L164 I165 F170 A173L5-I161 HydrophobicContact CD2-CD1 3.93Å; L5-I161 HydrophobicContact CD2-CG1 4.22Å; F27-I161 HydrophobicContact CE1-CD1 4.02Å; F27-I161 HydrophobicContact CZ-CB 4.24Å; F27-I161 HydrophobicContact CZ-CD1 4.29Å; Y143-I161 HydrophobicContact CE2-CG2 4.22Å; L146-I161 HydrophobicContact CB-CB 4.15Å; L146-I161 HydrophobicContact CB-CG2 3.85Å; L146-I161 PolarHBondContact O-N 3.46Å; L146-I161 VanDerWaalsContact O-N 3.13Å; I161-R163 VanDerWaalsContact C-N 3.31Å; I161-R163 PolarHBondContact O-N 2.94Å; I161-L164 HydrophobicContact CD1-CB 4.42Å; I161-L164 WeakPolarHBondContact O-CB 3.39Å; I161-L164 PolarHBondContact O-N 3.14Å; I161-L164 VanDerWaalsContact O-N 3.09Å; I161-I165 HydrophobicContact CD1-CG1 4.44Å; I161-I165 HydrophobicContact CG1-CD1 4.02Å; I161-I165 HydrophobicContact CG1-CG1 4.32Å; I161-I165 WeakPolarHBondContact O-CG1 3.11Å; I161-I165 PolarHBondContact O-N 3.37Å; I161-F170 HydrophobicContact CD1-CB 4.48Å; I161-F170 HydrophobicContact CD1-CD2 3.49Å; I161-F170 VanDerWaalsContact CD1-CD2 3.49Å; I161-F170 HydrophobicContact CD1-CE2 3.95Å; I161-F170 HydrophobicContact CD1-CG 4.17Å; I161-A173 HydrophobicContact CD1-CB 4.27Å; I161-A173 HydrophobicContact CG1-CB 3.67Å
162D87.3Confident85.7Confident74 Ų7451.9 Ų51.940%0.39628%0.275SS..Hα-helixtrans-62.8-39.9-174.2-56.3-41.9000111.8Y143 I165 S166Y143-D162 PolarHBondContact OH-OD1 3.19Å; Y143-D162 PolarHBondContact OH-OD2 2.87Å; D162-I165 PolarHBondContact O-N 2.89Å; D162-S166 PolarHBondContact O-N 3.17Å
163R87.1Confident86.1Confident60 Ų6052.3 Ų52.323%0.22628%0.277CS..Hα-helixtrans-66-41.7175-171.8172175168.80.2111.9Y151 R156 G157 I161 I165 S166 E167Y151-R163 VanDerWaalsContact OH-CD 3.31Å; Y151-R163 WeakPolarHBondContact OH-CD 3.32Å; Y151-R163 WeakPolarHBondContact OH-CG 3.39Å; Y151-R163 PolarHBondContact OH-NE 3.48Å; R156-R163 PolarHBondContact O-NH1 3.03Å; G157-R163 WeakPolarHBondContact O-CD 3.41Å; G157-R163 PolarHBondContact O-NH1 3.33Å; I161-R163 VanDerWaalsContact C-N 3.31Å; I161-R163 PolarHBondContact O-N 2.94Å; R163-I165 PolarHBondContact O-N 2.95Å; R163-S166 WeakPolarHBondContact CA-OG 3.25Å; R163-S166 PolarHBondContact O-N 3.45Å; R163-S166 VanDerWaalsContact O-N 3.11Å; R163-S166 PolarHBondContact O-OG 3.21Å; R163-E167 HydrophobicContact CG-CG 4.36Å; R163-E167 IonicContact CZ-OE1 2.67Å; R163-E167 IonicContact NE-OE1 3.96Å; R163-E167 PolarHBondContact NE-OE1 3.43Å; R163-E167 IonicContact NH2-OE1 2.69Å; R163-E167 PolarHBondContact NH2-OE1 2.99Å; R163-E167 WeakPolarHBondContact O-CB 3.44Å; R163-E167 WeakPolarHBondContact O-CG 3.31Å; R163-E167 PolarHBondContact O-N 2.98Å
164L90.4Very high86.6Confident0 Ų049.2 Ų49.20%026%0.255CS..Hα-helixtrans-63-30.6176-70.5169.9000112.5W23 F27 Y151 I161 E168 V169 F170W23-L164 HydrophobicContact CB-CD2 4.39Å; F27-L164 HydrophobicContact CB-CD1 4.22Å; F27-L164 HydrophobicContact CD1-CD1 3.95Å; F27-L164 HydrophobicContact CD2-CD1 3.69Å; F27-L164 HydrophobicContact CE1-CD1 4.16Å; F27-L164 HydrophobicContact CE2-CD1 3.89Å; F27-L164 HydrophobicContact CG-CD1 3.69Å; F27-L164 HydrophobicContact CZ-CD1 4.14Å; Y151-L164 HydrophobicContact CD1-CD1 3.74Å; Y151-L164 HydrophobicContact CD1-CD2 3.75Å; Y151-L164 HydrophobicContact CD1-CG 3.66Å; Y151-L164 HydrophobicContact CD2-CD2 3.8Å; Y151-L164 HydrophobicContact CE1-CD1 4.22Å; Y151-L164 HydrophobicContact CE1-CD2 3.72Å; Y151-L164 HydrophobicContact CE1-CG 3.63Å; Y151-L164 HydrophobicContact CE2-CD2 3.74Å; Y151-L164 HydrophobicContact CG-CD1 4.14Å; Y151-L164 HydrophobicContact CG-CD2 3.78Å; Y151-L164 HydrophobicContact CG-CG 4.18Å; I161-L164 HydrophobicContact CD1-CB 4.42Å; I161-L164 WeakPolarHBondContact O-CB 3.39Å; I161-L164 PolarHBondContact O-N 3.14Å; I161-L164 VanDerWaalsContact O-N 3.09Å; L164-E168 PolarHBondContact O-N 3.37Å; L164-V169 HydrophobicContact CB-CB 4.25Å; L164-V169 HydrophobicContact CD2-CB 3.94Å; L164-V169 HydrophobicContact CD2-CG1 4.03Å; L164-V169 HydrophobicContact CD2-CG2 3.88Å; L164-V169 WeakPolarHBondContact O-CA 3.41Å; L164-V169 WeakPolarHBondContact O-CB 3.46Å; L164-V169 PolarHBondContact O-N 3.49Å; L164-F170 HydrophobicContact CB-CD2 3.93Å; L164-F170 HydrophobicContact CD1-CD2 4.2Å; L164-F170 HydrophobicContact CD1-CE2 4.01Å; L164-F170 PolarHBondContact O-N 3.46Å
165I90.8Very high87.5Confident53 Ų5345.9 Ų45.927%0.27224%0.235SC..Hα-helixtrans-72.2-44.5171.8-63.6167000110.3I161 D162 R163 E167 E168 F170 A173I161-I165 HydrophobicContact CD1-CG1 4.44Å; I161-I165 HydrophobicContact CG1-CD1 4.02Å; I161-I165 HydrophobicContact CG1-CG1 4.32Å; I161-I165 WeakPolarHBondContact O-CG1 3.11Å; I161-I165 PolarHBondContact O-N 3.37Å; D162-I165 PolarHBondContact O-N 2.89Å; R163-I165 PolarHBondContact O-N 2.95Å; I165-E167 VanDerWaalsContact C-N 3.28Å; I165-E167 PolarHBondContact O-N 3.11Å; I165-E168 PolarHBondContact O-N 3.36Å; I165-F170 WeakPolarHBondContact CA-O 3.45Å; I165-F170 HydrophobicContact CG1-CB 4.26Å; I165-A173 HydrophobicContact CD1-CB 3.69Å
166S86.5Confident88.5Confident90 Ų9039.3 Ų39.363%0.62920%0.2SC*.Hα-helixtrans-63.7-31.1178.976.70000113.7D162 R163 E168D162-S166 PolarHBondContact O-N 3.17Å; R163-S166 WeakPolarHBondContact CA-OG 3.25Å; R163-S166 PolarHBondContact O-N 3.45Å; R163-S166 VanDerWaalsContact O-N 3.11Å; R163-S166 PolarHBondContact O-OG 3.21Å; S166-E168 VanDerWaalsContact C-N 3.26Å
167E87.1Confident89.3Confident55 Ų5531.5 Ų31.526%0.25717%0.171SC..THydrogen-bonded Turntrans-88.310.2175.9-67.1178.5177.100112.4Q20 W23 Y151 R163 I165 V169Q20-E167 PolarHBondContact NE2-O 3Å; W23-E167 VanDerWaalsContact CZ3-OE2 3.26Å; W23-E167 WeakPolarHBondContact CZ3-OE2 3.3Å; Y151-E167 PolarHBondContact OH-OE2 3.21Å; R163-E167 HydrophobicContact CG-CG 4.36Å; R163-E167 IonicContact CZ-OE1 2.67Å; R163-E167 IonicContact NE-OE1 3.96Å; R163-E167 PolarHBondContact NE-OE1 3.43Å; R163-E167 IonicContact NH2-OE1 2.69Å; R163-E167 PolarHBondContact NH2-OE1 2.99Å; R163-E167 WeakPolarHBondContact O-CB 3.44Å; R163-E167 WeakPolarHBondContact O-CG 3.31Å; R163-E167 PolarHBondContact O-N 2.98Å; I165-E167 VanDerWaalsContact C-N 3.28Å; I165-E167 PolarHBondContact O-N 3.11Å; E167-V169 HydrophobicContact CB-CG2 4.3Å; E167-V169 PolarHBondContact O-N 3.28Å; E167-V169 VanDerWaalsContact O-N 3.14Å
168E88.5Confident89.7Confident156 Ų15634 Ų3473%0.72918%0.181SC*.THydrogen-bonded Turntrans57.922.1178.7-55.8-175.3163.500114.7L164 I165 S166L164-E168 PolarHBondContact O-N 3.37Å; I165-E168 PolarHBondContact O-N 3.36Å; S166-E168 VanDerWaalsContact C-N 3.26Å
169V90.4Very high89.6Confident0 Ų035.5 Ų35.50%020%0.203CC..SBendtrans-71.2-41.8174.4-178.80000110.7Q20 W23 R24 L164 E167Q20-V169 HydrophobicContact CB-CG2 4.15Å; Q20-V169 HydrophobicContact CG-CG2 4.06Å; Q20-V169 WeakPolarHBondContact O-CG1 3.46Å; W23-V169 HydrophobicContact CE3-CG2 3.94Å; R24-V169 HydrophobicContact CB-CG1 3.9Å; R24-V169 PolarHBondContact NE-O 2.9Å; R24-V169 PolarHBondContact NH2-O 3.27Å; L164-V169 HydrophobicContact CB-CB 4.25Å; L164-V169 HydrophobicContact CD2-CB 3.94Å; L164-V169 HydrophobicContact CD2-CG1 4.03Å; L164-V169 HydrophobicContact CD2-CG2 3.88Å; L164-V169 WeakPolarHBondContact O-CA 3.41Å; L164-V169 WeakPolarHBondContact O-CB 3.46Å; L164-V169 PolarHBondContact O-N 3.49Å; E167-V169 HydrophobicContact CB-CG2 4.3Å; E167-V169 PolarHBondContact O-N 3.28Å; E167-V169 VanDerWaalsContact O-N 3.14Å
170F92.4Very high89.4Confident1 Ų139 Ų390%0.00422%0.221CC..SBendtrans-112.9142.1166.7-71.1-71.3000108.8L5 V6 W7 R24 F27 L28 I161 L164 I165L5-F170 HydrophobicContact CB-CD1 4.27Å; L5-F170 HydrophobicContact CB-CE1 4.15Å; L5-F170 HydrophobicContact CD1-CE1 4.36Å; L5-F170 HydrophobicContact CD1-CZ 4.18Å; V6-F170 CarbonylContact O-C 3.59Å; W7-F170 HydrophobicContact CB-CD1 4.33Å; W7-F170 HydrophobicContact CE3-CD1 4.1Å; W7-F170 AromaticContact CE3-CE1 3.86Å; W7-F170 HydrophobicContact CE3-CE1 3.86Å; W7-F170 HydrophobicContact CZ3-CE1 4.3Å; R24-F170 HydrophobicContact CG-CE1 3.85Å; R24-F170 HydrophobicContact CG-CE2 4.38Å; R24-F170 HydrophobicContact CG-CZ 3.65Å; F27-F170 AromaticContact CD1-CE2 3.75Å; F27-F170 HydrophobicContact CD1-CE2 3.75Å; F27-F170 HydrophobicContact CD1-CZ 4.14Å; F27-F170 HydrophobicContact CE1-CE2 4.13Å; L28-F170 HydrophobicContact CD2-CZ 4.25Å; L28-F170 HydrophobicContact CG-CZ 4.42Å; I161-F170 HydrophobicContact CD1-CB 4.48Å; I161-F170 HydrophobicContact CD1-CD2 3.49Å; I161-F170 VanDerWaalsContact CD1-CD2 3.49Å; I161-F170 HydrophobicContact CD1-CE2 3.95Å; I161-F170 HydrophobicContact CD1-CG 4.17Å; L164-F170 HydrophobicContact CB-CD2 3.93Å; L164-F170 HydrophobicContact CD1-CD2 4.2Å; L164-F170 HydrophobicContact CD1-CE2 4.01Å; L164-F170 PolarHBondContact O-N 3.46Å; I165-F170 WeakPolarHBondContact CA-O 3.45Å; I165-F170 HydrophobicContact CG1-CB 4.26Å
171T89.5Confident89.3Confident65 Ų6541.9 Ų41.940%0.39923%0.232SC..SBendtrans-82-33.1177-48.90000111.1V6 E8 Y577V6-T171 PolarHBondContact O-N 3.46Å; E8-T171 HydrophobicContact CG-CG2 4.48Å; E8-T171 PolarHBondContact N-OG1 2.8Å; T171-Y577 VanDerWaalsContact CG2-OH 3.32Å; T171-Y577 WeakPolarHBondContact CG2-OH 3.33Å
172A91.4Very high89Confident6 Ų647.8 Ų47.85%0.0526%0.257CS..EExtended strand (participates in β ladder)trans-158.2152.5178.200000112.4V6 Y174 Y577 R633V6-A172 HydrophobicContact CB-CB 4.37Å; V6-A172 PolarHBondContact N-O 3.08Å; V6-A172 PolarHBondContact O-N 3.01Å; A172-Y174 HydrophobicContact CB-CD1 3.87Å; A172-Y174 HydrophobicContact CB-CE1 3.88Å; A172-Y577 HydrophobicContact CB-CD2 4.45Å; A172-Y577 HydrophobicContact CB-CE2 4.02Å; A172-R633 VanDerWaalsContact CB-NH1 3.29Å
173A93.7Very high88.6Confident24 Ų2446.8 Ų46.820%0.19825%0.251CS..EExtended strand (participates in β ladder)trans-138123.2167.500000108.1F3 V4 L5 I161 I165F3-A173 HydrophobicContact CE1-CB 3.95Å; V4-A173 VanDerWaalsContact O-CA 3.31Å; V4-A173 WeakPolarHBondContact O-CA 3.28Å; L5-A173 HydrophobicContact CD2-CB 3.5Å; L5-A173 VanDerWaalsContact CD2-CB 3.5Å; I161-A173 HydrophobicContact CD1-CB 4.27Å; I161-A173 HydrophobicContact CG1-CB 3.67Å; I165-A173 HydrophobicContact CD1-CB 3.69Å
174Y93.7Very high88.2Confident7 Ų746.6 Ų46.63%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-155.8151.2-176.654.2-84.9000112.6V4 V6 A172 L176 W573 D576 Y577V4-Y174 HydrophobicContact CB-CE2 4.24Å; V4-Y174 PolarHBondContact N-O 3.13Å; V4-Y174 PolarHBondContact O-N 2.9Å; V6-Y174 HydrophobicContact CG2-CE1 3.84Å; A172-Y174 HydrophobicContact CB-CD1 3.87Å; A172-Y174 HydrophobicContact CB-CE1 3.88Å; Y174-L176 HydrophobicContact CE2-CD2 4.26Å; Y174-W573 PolarHBondContact OH-O 3.07Å; Y174-W573 VanDerWaalsContact OH-O 3.08Å; Y174-D576 HydrophobicContact CD2-CB 4.5Å; Y174-D576 HydrophobicContact CE2-CB 3.85Å; Y174-Y577 AromaticContact CE1-CD2 3.98Å; Y174-Y577 HydrophobicContact CE1-CD2 3.98Å; Y174-Y577 WeakPolarHBondContact OH-CB 3.07Å
175P94.5Very high87.3Confident1 Ų154.6 Ų54.61%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-73.7153.4168.429.1-31.2000111.6D2 F3 H139 R634D2-P175 WeakPolarHBondContact O-CA 3.43Å; F3-P175 HydrophobicContact CD2-CB 4.07Å; F3-P175 HydrophobicContact CE2-CB 4.12Å; F3-P175 HydrophobicContact CE2-CG 4.33Å; H139-P175 HydrophobicContact CB-CB 4.42Å; H139-P175 VanDerWaalsContact CE1-CB 3.47Å; H139-P175 WeakPolarHBondContact CE1-CB 3.4Å; H139-P175 WeakPolarHBondContact ND1-CB 3.02Å; P175-R634 WeakPolarHBondContact CD-O 3.46Å; P175-R634 HydrophobicContact CG-CB 4.14Å; P175-R634 HydrophobicContact CG-CG 4.2Å; P175-R634 WeakPolarHBondContact CG-O 3.41Å
176L91.8Very high86.7Confident14 Ų1458.1 Ų58.17%0.07332%0.319CS..PPolyproline II helixtrans-83.8148.4179.1-70.5172.7000112.8D2 V4 Y174 W573 D576 R634D2-L176 PolarHBondContact O-N 3.23Å; V4-L176 HydrophobicContact CG2-CD1 3.79Å; V4-L176 HydrophobicContact CG2-CD2 3.62Å; V4-L176 HydrophobicContact CG2-CG 3.64Å; Y174-L176 HydrophobicContact CE2-CD2 4.26Å; L176-W573 HydrophobicContact CD2-CB 3.99Å; L176-D576 HydrophobicContact CD2-CB 4.29Å; L176-R634 VanDerWaalsContact O-CD 3.28Å; L176-R634 WeakPolarHBondContact O-CD 3.35Å; L176-R634 PolarHBondContact O-NH1 3.42Å
177H91.5Very high86Confident11 Ų1160.3 Ų60.35%0.05133%0.332CS..PPolyproline II helixtrans-74.9144.5166.4-77.6-75.9000111.9G179 Y221 D576 F632 R634H177-G179 PolarHBondContact O-N 3.48Å; H177-Y221 AromaticContact ND1-CE1 3.78Å; H177-Y221 AromaticContact ND1-CZ 3.7Å; H177-Y221 PolarHBondContact ND1-OH 3.34Å; H177-D576 WeakPolarHBondContact CB-OD2 3.38Å; H177-D576 IonicContact CD2-OD1 3.99Å; H177-D576 PolarHBondContact CD2-OD1 3.49Å; H177-D576 IonicContact CD2-OD2 2.66Å; H177-D576 IonicContact CG-OD1 2.99Å; H177-D576 IonicContact CG-OD2 3.41Å; H177-D576 PolarHBondContact N-OD2 3.15Å; H177-F632 PolarHBondContact NE2-O 3.05Å; H177-F632 VanDerWaalsContact NE2-O 3.09Å; H177-R634 PolarHBondContact NE2-N 2.97Å
178E85.1Confident85.4Confident55 Ų5561.1 Ų61.126%0.25734%0.34SS..SBendtrans-76.191.8171.5-64.8169.1-165.300110.4T135 Y221 R634T135-E178 WeakPolarHBondContact CB-OE1 3.28Å; T135-E178 WeakPolarHBondContact CG2-OE1 3.18Å; T135-E178 PolarHBondContact OG1-OE1 3.02Å; E178-Y221 HydrophobicContact CB-CE2 4.11Å; E178-Y221 HydrophobicContact CG-CE2 4.24Å; E178-Y221 PolarHBondContact N-OH 3.11Å; E178-R634 IonicContact OE1-NH1 3.9Å; E178-R634 IonicContact OE1-NH2 2.73Å
179G83.3Confident84.8Confident54 Ų5457.2 Ų57.256%0.55733%0.33SS*.SBendtrans64.9-166.8173.600000115.1H177 R196H177-G179 PolarHBondContact O-N 3.48Å; G179-R196 WeakPolarHBondContact O-CD 3.31Å; G179-R196 PolarHBondContact O-NH1 3.4Å; G179-R196 VanDerWaalsContact O-NH1 3.08Å
180N84.1Confident84Confident90 Ų9061.9 Ų61.948%0.48135%0.354SS..  trans-80.4144.4-179.1-164.4-13.2000111.1K182 Q197N180-K182 VanDerWaalsContact C-N 3.33Å; N180-K182 PolarHBondContact OD1-N 3.49Å; N180-Q197 WeakPolarHBondContact O-CG 3.31Å
181Y85.1Confident83Confident63 Ų6369.2 Ų69.225%0.24739%0.389CS..SBendtrans-76.2-20.2176.265.9-95.9000113.2H200 K630Y181-H200 AromaticContact CD2-CD2 3.55Å; Y181-H200 AromaticContact CD2-NE2 3.6Å; Y181-H200 AromaticContact CE2-NE2 3.99Å; Y181-H200 WeakPolarHBondContact O-CB 3.43Å; Y181-K630 HydrophobicContact CD2-CG 4.27Å; Y181-K630 HydrophobicContact CE2-CG 4.34Å; Y181-K630 HydrophobicContact CG-CG 4.46Å
182K84.7Confident82.6Confident124 Ų12469.5 Ų69.554%0.53939%0.393SS..SBendtrans-66.7137.7-179.3-67-176.2-178.6179.70110.1N180 Q197N180-K182 VanDerWaalsContact C-N 3.33Å; N180-K182 PolarHBondContact OD1-N 3.49Å; K182-Q197 PolarHBondContact O-NE2 3.38Å
183M78.6Confident82.1Confident53 Ų5370 Ų7026%0.26140%0.395SS..PPolyproline II helixtrans-64.4141.2169-74.6-67.2179.100109.1L193 Q197 Y202M183-L193 HydrophobicContact SD-CD2 3.72Å; M183-Q197 HydrophobicContact CE-CB 4.39Å; M183-Q197 WeakPolarHBondContact CE-O 3.42Å; M183-Q197 HydrophobicContact SD-CB 4.24Å; M183-Y202 HydrophobicContact CE-CE2 4.45Å
184P79Confident81.7Confident56 Ų5670.2 Ų70.236%0.36440%0.4SS..PPolyproline II helixtrans-61.7140.8173.724.9-31.4000110.4N186 V188 L193P184-N186 VanDerWaalsContact C-N 3.27Å; P184-N186 PolarHBondContact O-N 2.89Å; P184-V188 HydrophobicContact CB-CG2 3.87Å; P184-V188 HydrophobicContact CG-CB 4.26Å; P184-V188 HydrophobicContact CG-CG2 3.62Å; P184-L193 HydrophobicContact CG-CD2 4.41Å
185D72.6Confident81.5Confident168 Ų16871.8 Ų71.890%0.89841%0.408SS*.SBendtrans-70-27.4-179.4-63.2-44.1000111.9
186N76.6Confident81.3Confident127 Ų12772.3 Ų72.368%0.67941%0.41SS*.SBendtrans-85.3143.3174-67.1-22.9000110.7P184 V188P184-N186 VanDerWaalsContact C-N 3.27Å; P184-N186 PolarHBondContact O-N 2.89Å; N186-V188 WeakPolarHBondContact O-CG2 3.46Å; N186-V188 PolarHBondContact O-N 2.81Å
187P73.4Confident81.2Confident137 Ų13773.4 Ų73.489%0.8942%0.415SS*.  trans-67.299.7176.627.5-32.9000109.9
188V74.7Confident81.2Confident72 Ų7273 Ų7344%0.43641%0.413SS..  trans-95.7148.9173.5-161.90000109.2P184 N186 L190 S192P184-V188 HydrophobicContact CB-CG2 3.87Å; P184-V188 HydrophobicContact CG-CB 4.26Å; P184-V188 HydrophobicContact CG-CG2 3.62Å; N186-V188 WeakPolarHBondContact O-CG2 3.46Å; N186-V188 PolarHBondContact O-N 2.81Å; V188-L190 PolarHBondContact O-N 3.43Å; V188-S192 WeakPolarHBondContact CG1-OG 3.37Å
189S75.6Confident81.6Confident73 Ų7370.4 Ų70.451%0.5140%0.401SS..  trans-50.8134.1173.153.80000111.6Q191 S192S189-Q191 PolarHBondContact O-N 3.35Å; S189-S192 PolarHBondContact O-N 3.11Å; S189-S192 VanDerWaalsContact O-N 3.08Å; S189-S192 PolarHBondContact O-OG 3.46Å; S189-S192 PolarHBondContact OG-OG 3.4Å; S189-S192 VanDerWaalsContact OG-OG 3.08Å
190L72.6Confident82Confident98 Ų9868.8 Ų68.851%0.51338%0.379SS..G310 helixtrans-57.8-23-179.1-67.6170.2000113.5P104 V188 L193P104-L190 HydrophobicContact CB-CB 4.08Å; V188-L190 PolarHBondContact O-N 3.43Å; L190-L193 HydrophobicContact CB-CD1 4.5Å; L190-L193 HydrophobicContact CD2-CD1 3.9Å
191Q72.7Confident82.2Confident155 Ų15565 Ų6572%0.72436%0.361SS*.G310 helixtrans-78.1-21-178.9-68.3170.4-5.800113.9N105 S189N105-Q191 PolarHBondContact ND2-O 3.48Å; S189-Q191 PolarHBondContact O-N 3.35Å
192S79.1Confident82.4Confident71 Ų7164.1 Ų64.150%0.49736%0.358SS..G310 helixtrans-94.74.8179.663.40000113.2V188 S189V188-S192 WeakPolarHBondContact CG1-OG 3.37Å; S189-S192 PolarHBondContact O-N 3.11Å; S189-S192 VanDerWaalsContact O-N 3.08Å; S189-S192 PolarHBondContact O-OG 3.46Å; S189-S192 PolarHBondContact OG-OG 3.4Å; S189-S192 VanDerWaalsContact OG-OG 3.08Å
193L81.8Confident82.7Confident18 Ų1858.2 Ų58.29%0.09433%0.332CS..  trans-70.3134.6178-72.6166.5000110.5M183 P184 L190 Q197 I198M183-L193 HydrophobicContact SD-CD2 3.72Å; P184-L193 HydrophobicContact CG-CD2 4.41Å; L190-L193 HydrophobicContact CB-CD1 4.5Å; L190-L193 HydrophobicContact CD2-CD1 3.9Å; L193-Q197 HydrophobicContact CD2-CB 4.38Å; L193-I198 HydrophobicContact CB-CD1 4.17Å; L193-I198 HydrophobicContact CB-CG1 3.78Å
194G85.4Confident83.3Confident28 Ų2855.7 Ų55.729%0.28932%0.32SS..  trans-69.6153.2173.400000112R196 Q197 I198G194-R196 VanDerWaalsContact C-N 3.28Å; G194-R196 PolarHBondContact O-N 2.79Å; G194-Q197 VanDerWaalsContact N-OE1 3.11Å; G194-Q197 WeakPolarHBondContact O-CB 3.43Å; G194-Q197 PolarHBondContact O-N 3.02Å; G194-I198 WeakPolarHBondContact O-CG1 3.47Å; G194-I198 PolarHBondContact O-N 3.45Å
195L88.6Confident83.8Confident40 Ų4056.6 Ų56.621%0.20932%0.318CS..Hα-helixtrans-55.9-40.7-178.2-70.7172.7000112.5Q197 I198 L199 E220 Y221L195-Q197 VanDerWaalsContact C-N 3.32Å; L195-Q197 PolarHBondContact O-N 3.34Å; L195-I198 PolarHBondContact O-N 3.37Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.9Å; L195-E220 HydrophobicContact CD1-CG 4.04Å; L195-Y221 HydrophobicContact CB-CD2 3.77Å; L195-Y221 HydrophobicContact CB-CE2 4.32Å; L195-Y221 HydrophobicContact CD1-CD2 4.38Å
196R90.9Very high84.5Confident11 Ų1154.5 Ų54.54%0.04230%0.297CS..Hα-helixtrans-61.7-38.3176.6-164.9-176.5-174.5174.37.6112.6G179 G194 H200 Y221 D576 V629G179-R196 WeakPolarHBondContact O-CD 3.31Å; G179-R196 PolarHBondContact O-NH1 3.4Å; G179-R196 VanDerWaalsContact O-NH1 3.08Å; G194-R196 VanDerWaalsContact C-N 3.28Å; G194-R196 PolarHBondContact O-N 2.79Å; R196-H200 WeakPolarHBondContact O-CB 3.32Å; R196-H200 PolarHBondContact O-N 2.89Å; R196-Y221 HydrophobicContact CB-CE2 4.12Å; R196-Y221 WeakPolarHBondContact CD-OH 3.43Å; R196-D576 IonicContact NH1-OD1 3.61Å; R196-V629 HydrophobicContact CG-CG1 4.4Å; R196-V629 PolarHBondContact NE-O 3.26Å; R196-V629 VanDerWaalsContact NE-O 3.16Å; R196-V629 PolarHBondContact NH2-O 2.71Å
197Q90.8Very high84.9Confident38 Ų3852.7 Ų52.718%0.17830%0.295CS..Hα-helixtrans-70.2-42.4178.1-65.1174.2-37.400110.7N180 K182 M183 L193 G194 L195 H200 G201N180-Q197 WeakPolarHBondContact O-CG 3.31Å; K182-Q197 PolarHBondContact O-NE2 3.38Å; M183-Q197 HydrophobicContact CE-CB 4.39Å; M183-Q197 WeakPolarHBondContact CE-O 3.42Å; M183-Q197 HydrophobicContact SD-CB 4.24Å; L193-Q197 HydrophobicContact CD2-CB 4.38Å; G194-Q197 VanDerWaalsContact N-OE1 3.11Å; G194-Q197 WeakPolarHBondContact O-CB 3.43Å; G194-Q197 PolarHBondContact O-N 3.02Å; L195-Q197 VanDerWaalsContact C-N 3.32Å; L195-Q197 PolarHBondContact O-N 3.34Å; Q197-H200 WeakPolarHBondContact O-CB 3.45Å; Q197-H200 PolarHBondContact O-N 3.38Å; Q197-G201 PolarHBondContact O-N 2.99Å
198I90.9Very high85.6Confident2 Ų246.5 Ų46.51%0.0126%0.255CS..Hα-helixtrans-59.1-50.4175.7-63.4171.6000110.2V103 P104 N105 L193 G194 L195 H200 G201 Y202V103-I198 HydrophobicContact CG1-CG2 3.58Å; P104-I198 HydrophobicContact CG-CD1 4.29Å; P104-I198 HydrophobicContact CG-CG1 4.21Å; P104-I198 HydrophobicContact CG-CG2 4.34Å; N105-I198 HydrophobicContact CB-CD1 4.39Å; L193-I198 HydrophobicContact CB-CD1 4.17Å; L193-I198 HydrophobicContact CB-CG1 3.78Å; G194-I198 WeakPolarHBondContact O-CG1 3.47Å; G194-I198 PolarHBondContact O-N 3.45Å; L195-I198 PolarHBondContact O-N 3.37Å; I198-H200 VanDerWaalsContact C-N 3.27Å; I198-H200 PolarHBondContact O-N 3.12Å; I198-G201 PolarHBondContact O-N 2.99Å; I198-Y202 HydrophobicContact CG2-CD2 4.33Å; I198-Y202 WeakPolarHBondContact O-CB 3.35Å; I198-Y202 PolarHBondContact O-N 2.98Å
199L92.4Very high86Confident1 Ų148.6 Ų48.61%0.00526%0.255CS..Hα-helixtrans-60-37.6176.7-71.1173.8000112.2L195 W203 S204 P214 H217 I218 Y221 F222 V629L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.9Å; L199-W203 HydrophobicContact CB-CE3 4.29Å; L199-W203 HydrophobicContact CD2-CE3 3.95Å; L199-W203 HydrophobicContact CD2-CZ3 4.49Å; L199-W203 WeakPolarHBondContact O-CB 3.49Å; L199-W203 PolarHBondContact O-N 3.11Å; L199-S204 PolarHBondContact O-N 2.8Å; L199-P214 HydrophobicContact CD2-CG 4.47Å; L199-H217 HydrophobicContact CD2-CB 3.83Å; L199-I218 HydrophobicContact CD2-CG1 3.81Å; L199-Y221 HydrophobicContact CD1-CD1 3.82Å; L199-Y221 HydrophobicContact CD1-CG 3.75Å; L199-F222 HydrophobicContact CD1-CD2 4.45Å; L199-F222 HydrophobicContact CD1-CE2 4.03Å; L199-V629 HydrophobicContact CB-CG2 4.17Å
200H91.7Very high86.3Confident19 Ų1952.3 Ų52.39%0.08826%0.258CS..Iπ-helixtrans-63.3-52174.6-178.6-93.5000111.8Y181 R196 Q197 I198 S204 K205 V629 K630Y181-H200 AromaticContact CD2-CD2 3.55Å; Y181-H200 AromaticContact CD2-NE2 3.6Å; Y181-H200 AromaticContact CE2-NE2 3.99Å; Y181-H200 WeakPolarHBondContact O-CB 3.43Å; R196-H200 WeakPolarHBondContact O-CB 3.32Å; R196-H200 PolarHBondContact O-N 2.89Å; Q197-H200 WeakPolarHBondContact O-CB 3.45Å; Q197-H200 PolarHBondContact O-N 3.38Å; I198-H200 VanDerWaalsContact C-N 3.27Å; I198-H200 PolarHBondContact O-N 3.12Å; H200-S204 VanDerWaalsContact CA-OG 3.29Å; H200-S204 WeakPolarHBondContact CA-OG 3.45Å; H200-S204 PolarHBondContact O-OG 2.89Å; H200-K205 WeakPolarHBondContact ND1-CE 3.34Å; H200-K205 WeakPolarHBondContact O-CG 3.29Å; H200-K205 PolarHBondContact O-N 3.3Å; H200-V629 HydrophobicContact CB-CG1 3.96Å; H200-K630 WeakPolarHBondContact CD2-CE 3.17Å; H200-K630 WeakPolarHBondContact NE2-CE 2.95Å
201G89.1Confident87Confident11 Ų1152.5 Ų52.511%0.11325%0.251CS..Iπ-helixtrans-72.3-37.7-171.600000115.1Q197 I198 C208Q197-G201 PolarHBondContact O-N 2.99Å; I198-G201 PolarHBondContact O-N 2.99Å; G201-C208 PolarHBondContact O-SG 3.29Å; G201-C208 VanDerWaalsContact O-SG 3.36Å
202Y89.2Confident87.6Confident45 Ų4549 Ų4918%0.17623%0.232CC..Iπ-helixtrans-107-9.1-170-69.5-102.4000113.6Q101 V103 P104 M183 I198Q101-Y202 HydrophobicContact CG-CD1 4.04Å; Q101-Y202 HydrophobicContact CG-CE1 4.48Å; Q101-Y202 PolarHBondContact OE1-O 2.79Å; V103-Y202 HydrophobicContact CG1-CG 4.36Å; V103-Y202 HydrophobicContact CG2-CD1 4.2Å; P104-Y202 HydrophobicContact CG-CE2 4.09Å; M183-Y202 HydrophobicContact CE-CE2 4.45Å; I198-Y202 HydrophobicContact CG2-CD2 4.33Å; I198-Y202 WeakPolarHBondContact O-CB 3.35Å; I198-Y202 PolarHBondContact O-N 2.98Å
203W91.8Very high88.1Confident0 Ų047.2 Ų47.20%022%0.216CC..Iπ-helixtrans-130-54.1-177.9176.955.6000113.6L199 K205 P214 I218 F222 F230 R622 A625 V629L199-W203 HydrophobicContact CB-CE3 4.29Å; L199-W203 HydrophobicContact CD2-CE3 3.95Å; L199-W203 HydrophobicContact CD2-CZ3 4.49Å; L199-W203 WeakPolarHBondContact O-CB 3.49Å; L199-W203 PolarHBondContact O-N 3.11Å; W203-K205 PolarHBondContact O-N 3.04Å; W203-P214 HydrophobicContact CB-CG 3.78Å; W203-P214 HydrophobicContact CG-CG 4.14Å; W203-I218 HydrophobicContact CD2-CD1 3.85Å; W203-I218 HydrophobicContact CD2-CG1 4.11Å; W203-I218 HydrophobicContact CE3-CD1 4.29Å; W203-I218 HydrophobicContact CE3-CG1 4.07Å; W203-I218 HydrophobicContact CG-CD1 4.42Å; W203-I218 HydrophobicContact CH2-CD1 3.91Å; W203-I218 HydrophobicContact CH2-CG1 3.96Å; W203-I218 HydrophobicContact CH2-CG2 4.33Å; W203-I218 HydrophobicContact CZ2-CD1 3.42Å; W203-I218 VanDerWaalsContact CZ2-CD1 3.42Å; W203-I218 HydrophobicContact CZ2-CG1 4Å; W203-I218 HydrophobicContact CZ3-CD1 4.32Å; W203-I218 HydrophobicContact CZ3-CG1 4Å; W203-F222 HydrophobicContact CZ3-CE2 4.19Å; W203-F230 HydrophobicContact CH2-CD1 4.45Å; W203-F230 AromaticContact CH2-CD2 3.94Å; W203-F230 HydrophobicContact CH2-CD2 3.94Å; W203-F230 HydrophobicContact CH2-CE1 4.1Å; W203-F230 AromaticContact CH2-CE2 3.55Å; W203-F230 HydrophobicContact CH2-CE2 3.55Å; W203-F230 HydrophobicContact CH2-CG 4.37Å; W203-F230 AromaticContact CH2-CZ 3.63Å; W203-F230 HydrophobicContact CH2-CZ 3.63Å; W203-F230 AromaticContact CZ2-CD1 3.63Å; W203-F230 HydrophobicContact CZ2-CD1 3.63Å; W203-F230 AromaticContact CZ2-CD2 3.81Å; W203-F230 HydrophobicContact CZ2-CD2 3.81Å; W203-F230 AromaticContact CZ2-CE1 3.53Å; W203-F230 HydrophobicContact CZ2-CE1 3.53Å; W203-F230 AromaticContact CZ2-CE2 3.72Å; W203-F230 HydrophobicContact CZ2-CE2 3.72Å; W203-F230 AromaticContact CZ2-CG 3.76Å; W203-F230 HydrophobicContact CZ2-CG 3.76Å; W203-F230 AromaticContact CZ2-CZ 3.57Å; W203-F230 HydrophobicContact CZ2-CZ 3.57Å; W203-R622 PolarHBondContact O-NH1 2.77Å; W203-A625 HydrophobicContact CD2-CB 3.73Å; W203-A625 VanDerWaalsContact CE2-CB 3.49Å; W203-A625 HydrophobicContact CE3-CB 3.98Å; W203-A625 HydrophobicContact CG-CB 4.4Å; W203-A625 HydrophobicContact CH2-CB 3.84Å; W203-A625 HydrophobicContact CZ2-CB 3.57Å; W203-A625 HydrophobicContact CZ3-CB 4.03Å; W203-V629 HydrophobicContact CE3-CG2 4.14Å; W203-V629 HydrophobicContact CZ3-CG2 3.94Å
204S90.5Very high88.5Confident0 Ų047.1 Ų47.10%022%0.216CC..Iπ-helixtrans-75.9-21.5-171.882.20000115.1L199 H200 Q626L199-S204 PolarHBondContact O-N 2.8Å; H200-S204 VanDerWaalsContact CA-OG 3.29Å; H200-S204 WeakPolarHBondContact CA-OG 3.45Å; H200-S204 PolarHBondContact O-OG 2.89Å; S204-Q626 WeakPolarHBondContact O-CG 3.29Å; S204-Q626 PolarHBondContact O-NE2 3.21Å
205K89.2Confident88.8Confident74 Ų7447.8 Ų47.832%0.32221%0.213SC..SBendtrans-70.3141-177.6-80.2177.7-175.4179.80111.6H200 W203 S207 C208H200-K205 WeakPolarHBondContact ND1-CE 3.34Å; H200-K205 WeakPolarHBondContact O-CG 3.29Å; H200-K205 PolarHBondContact O-N 3.3Å; W203-K205 PolarHBondContact O-N 3.04Å; K205-S207 PolarHBondContact O-N 3.41Å; K205-S207 VanDerWaalsContact O-N 3.17Å; K205-C208 WeakPolarHBondContact O-CB 3.25Å; K205-C208 PolarHBondContact O-N 2.82Å
206W87.1Confident88.9Confident124 Ų12447 Ų4747%0.4721%0.209SC..G310 helixtrans-56.7-30.3173-70.9109.7000113.3C208 W209 V619 R622 L623W206-C208 PolarHBondContact O-N 3.21Å; W206-C208 VanDerWaalsContact O-N 3.16Å; W206-W209 WeakPolarHBondContact O-CB 3.45Å; W206-W209 VanDerWaalsContact O-CD1 3.25Å; W206-W209 PolarHBondContact O-N 3.39Å; W206-W209 VanDerWaalsContact O-N 3.13Å; W206-V619 HydrophobicContact CH2-CG1 4.08Å; W206-V619 HydrophobicContact CZ3-CG1 4.45Å; W206-R622 HydrophobicContact CE3-CB 4.18Å; W206-R622 HydrophobicContact CH2-CB 4.38Å; W206-R622 HydrophobicContact CZ3-CB 3.95Å; W206-L623 HydrophobicContact CH2-CD2 3.7Å; W206-L623 HydrophobicContact CH2-CG 3.96Å; W206-L623 HydrophobicContact CZ2-CD2 3.49Å; W206-L623 VanDerWaalsContact CZ2-CD2 3.49Å; W206-L623 HydrophobicContact CZ2-CG 4.25Å
207S86.4Confident88.9Confident90 Ų9047 Ų4763%0.62921%0.21SC*.G310 helixtrans-60.8-22.917459.70000113.4K205 W209K205-S207 PolarHBondContact O-N 3.41Å; K205-S207 VanDerWaalsContact O-N 3.17Å; S207-W209 VanDerWaalsContact C-N 3.31Å
208C86.2Confident89.1Confident6 Ų645.2 Ų45.24%0.04120%0.201CC..G310 helixtrans-87.96.4180-59.10000113.1G201 K205 W206 R210 R211 R622G201-C208 PolarHBondContact O-SG 3.29Å; G201-C208 VanDerWaalsContact O-SG 3.36Å; K205-C208 WeakPolarHBondContact O-CB 3.25Å; K205-C208 PolarHBondContact O-N 2.82Å; W206-C208 PolarHBondContact O-N 3.21Å; W206-C208 VanDerWaalsContact O-N 3.16Å; C208-R210 PolarHBondContact O-N 3.48Å; C208-R211 HydrophobicContact CB-CB 4.47Å; C208-R211 HydrophobicContact CB-CG 4.4Å; C208-R211 WeakPolarHBondContact O-CB 3.27Å; C208-R211 PolarHBondContact O-N 3.4Å; C208-R622 PolarHBondContact O-NH1 2.91Å; C208-R622 PolarHBondContact O-NH2 3.3Å
209W83.5Confident89.1Confident116 Ų11647.3 Ų47.344%0.43921%0.209SC..THydrogen-bonded Turntrans-50.7-32.7-176.670.6-53.8000115W206 S207 W618 R622W206-W209 WeakPolarHBondContact O-CB 3.45Å; W206-W209 VanDerWaalsContact O-CD1 3.25Å; W206-W209 PolarHBondContact O-N 3.39Å; W206-W209 VanDerWaalsContact O-N 3.13Å; S207-W209 VanDerWaalsContact C-N 3.31Å; W209-W618 AromaticContact CE3-NE1 3.43Å; W209-W618 WeakPolarHBondContact O-CZ2 3.49Å; W209-W618 PolarHBondContact O-NE1 2.96Å; W209-R622 PolarHBondContact O-NH2 3.37Å
210R82.8Confident89.1Confident152 Ų15249 Ų4957%0.57422%0.217SC*.THydrogen-bonded Turntrans-89.2-1.1178.4-63.8177-175.5-177.9-1115L99 C208L99-R210 WeakPolarHBondContact CA-O 3.2Å; L99-R210 WeakPolarHBondContact CG-O 3.31Å; C208-R210 PolarHBondContact O-N 3.48Å
211R86.2Confident89.1Confident101 Ų10148.1 Ų48.138%0.38121%0.213SC..SBendtrans-98.6151.7-173.4-56.5-61.1-171.1171.1-4.9112.2P98 L99 S100 C208 R622P98-R211 PolarHBondContact O-NH1 3.35Å; L99-R211 WeakPolarHBondContact O-CA 3.46Å; S100-R211 PolarHBondContact O-NH1 3.25Å; C208-R211 HydrophobicContact CB-CB 4.47Å; C208-R211 HydrophobicContact CB-CG 4.4Å; C208-R211 WeakPolarHBondContact O-CB 3.27Å; C208-R211 PolarHBondContact O-N 3.4Å; R211-R622 PolarHBondContact O-NH2 3.14Å
212Y85.4Confident89.3Confident82 Ų8247.7 Ų47.732%0.32221%0.208SC..PPolyproline II helixtrans-59.1153.4171.3-80.7-59.4000112.8S86 L99S86-Y212 WeakPolarHBondContact CB-OH 3.5Å; S86-Y212 WeakPolarHBondContact OG-CE2 3.48Å; S86-Y212 VanDerWaalsContact OG-CZ 3.31Å; S86-Y212 PolarHBondContact OG-OH 2.95Å; L99-Y212 HydrophobicContact CB-CD2 3.6Å; L99-Y212 HydrophobicContact CB-CE1 4.41Å; L99-Y212 HydrophobicContact CB-CE2 3.28Å; L99-Y212 HydrophobicContact CB-CG 4.26Å; L99-Y212 HydrophobicContact CD2-CE1 4.1Å; L99-Y212 HydrophobicContact CD2-CE2 4.4Å; L99-Y212 HydrophobicContact CG-CE2 4.36Å; L99-Y212 WeakPolarHBondContact O-CD2 2.94Å; L99-Y212 PolarHBondContact O-N 2.91Å
213Q89.9Confident89.5Confident34 Ų3445.6 Ų45.616%0.15920%0.2CC..PPolyproline II helixtrans-82130.1176.6-59.8-171.278.400110L215 F230 G234 I621Q213-L215 VanDerWaalsContact C-N 3.28Å; Q213-L215 HydrophobicContact CB-CD2 4.21Å; Q213-L215 PolarHBondContact O-N 3.38Å; Q213-F230 PolarHBondContact NE2-O 2.94Å; Q213-G234 VanDerWaalsContact NE2-CA 3.29Å; Q213-I621 HydrophobicContact CG-CG2 4.4Å
214P91.6Very high89.5Confident15 Ų1546.7 Ų46.710%0.09721%0.205CC..  trans-80.175175.232.9-33.5000110.8V103 L199 W203 D216 H217 I218V103-P214 HydrophobicContact CG2-CB 4.29Å; L199-P214 HydrophobicContact CD2-CG 4.47Å; W203-P214 HydrophobicContact CB-CG 3.78Å; W203-P214 HydrophobicContact CG-CG 4.14Å; P214-D216 PolarHBondContact O-N 3.5Å; P214-H217 HydrophobicContact CB-CB 4.28Å; P214-H217 PolarHBondContact O-N 3.01Å; P214-I218 WeakPolarHBondContact O-CG1 3.23Å; P214-I218 PolarHBondContact O-N 2.92Å; P214-I218 VanDerWaalsContact O-N 3.12Å
215L91.1Very high89.6Confident43 Ų4349 Ų4923%0.22522%0.215CC..Hα-helixtrans-55.9-38.3-175-64.1177000113Q213 I218 R219 F230 A231 W335Q213-L215 VanDerWaalsContact C-N 3.28Å; Q213-L215 HydrophobicContact CB-CD2 4.21Å; Q213-L215 PolarHBondContact O-N 3.38Å; L215-I218 PolarHBondContact O-N 3.41Å; L215-R219 PolarHBondContact O-N 3.2Å; L215-F230 HydrophobicContact CD2-CB 4.28Å; L215-A231 HydrophobicContact CD1-CB 3.88Å; L215-A231 HydrophobicContact CD2-CB 4.01Å; L215-W335 HydrophobicContact CB-CZ2 4.4Å
216D89.7Confident89.9Confident24 Ų2446 Ų4613%0.12820%0.203CC..Hα-helixtrans-69.7-36.6-176.9-58.5-35.7000112P107 P214 E220 R334P107-D216 HydrophobicContact CG-CB 3.45Å; P107-D216 VanDerWaalsContact CG-CB 3.45Å; P214-D216 PolarHBondContact O-N 3.5Å; D216-E220 WeakPolarHBondContact O-CB 3.41Å; D216-E220 PolarHBondContact O-N 3.17Å; D216-R334 IonicContact OD1-CZ 2.71Å; D216-R334 IonicContact OD1-NH1 2.88Å; D216-R334 PolarHBondContact OD1-NH1 2.97Å; D216-R334 IonicContact OD1-NH2 2.94Å; D216-R334 IonicContact OD2-CZ 2.69Å; D216-R334 IonicContact OD2-NH1 3.18Å; D216-R334 PolarHBondContact OD2-NH1 3.24Å; D216-R334 IonicContact OD2-NH2 2.7Å; D216-R334 PolarHBondContact OD2-NH2 3.12Å
217H91.8Very high90.2Very high11 Ų1140.1 Ų40.15%0.05118%0.18CC..Hα-helixtrans-69.8-35.9172.8-63.485.5000112.3P104 N105 L199 P214 E220 Y221P104-H217 PolarHBondContact O-NE2 3.27Å; N105-H217 PolarHBondContact O-NE2 2.92Å; L199-H217 HydrophobicContact CD2-CB 3.83Å; P214-H217 HydrophobicContact CB-CB 4.28Å; P214-H217 PolarHBondContact O-N 3.01Å; H217-E220 PolarHBondContact O-N 3.36Å; H217-Y221 WeakPolarHBondContact O-CB 3.38Å; H217-Y221 PolarHBondContact O-N 2.69Å; H217-Y221 VanDerWaalsContact O-N 3.14Å
218I93.9Very high90.6Very high0 Ų036 Ų360%015%0.151CC..Hα-helixtrans-64-46176-64.2162.9000109.3L199 W203 P214 L215 Y221 F222 I226 A227 F230L199-I218 HydrophobicContact CD2-CG1 3.81Å; W203-I218 HydrophobicContact CD2-CD1 3.85Å; W203-I218 HydrophobicContact CD2-CG1 4.11Å; W203-I218 HydrophobicContact CE3-CD1 4.29Å; W203-I218 HydrophobicContact CE3-CG1 4.07Å; W203-I218 HydrophobicContact CG-CD1 4.42Å; W203-I218 HydrophobicContact CH2-CD1 3.91Å; W203-I218 HydrophobicContact CH2-CG1 3.96Å; W203-I218 HydrophobicContact CH2-CG2 4.33Å; W203-I218 HydrophobicContact CZ2-CD1 3.42Å; W203-I218 VanDerWaalsContact CZ2-CD1 3.42Å; W203-I218 HydrophobicContact CZ2-CG1 4Å; W203-I218 HydrophobicContact CZ3-CD1 4.32Å; W203-I218 HydrophobicContact CZ3-CG1 4Å; P214-I218 WeakPolarHBondContact O-CG1 3.23Å; P214-I218 PolarHBondContact O-N 2.92Å; P214-I218 VanDerWaalsContact O-N 3.12Å; L215-I218 PolarHBondContact O-N 3.41Å; I218-Y221 PolarHBondContact O-N 2.93Å; I218-F222 HydrophobicContact CG2-CD2 4.24Å; I218-F222 WeakPolarHBondContact O-CB 3.05Å; I218-F222 PolarHBondContact O-N 3Å; I218-I226 HydrophobicContact CG2-CG2 4.41Å; I218-A227 HydrophobicContact CG2-CB 4.23Å; I218-F230 HydrophobicContact CD1-CB 4.42Å; I218-F230 HydrophobicContact CG2-CD2 4.08Å
219R92.7Very high91Very high45 Ų4535.7 Ų35.717%0.1715%0.149CC..Hα-helixtrans-57.3-52.1174176.3-170.7170.3-159.93.4111.3L215 Y221 G223 E224 A227 W335L215-R219 PolarHBondContact O-N 3.2Å; R219-Y221 PolarHBondContact O-N 3.43Å; R219-Y221 VanDerWaalsContact O-N 3.15Å; R219-G223 VanDerWaalsContact O-CA 3.27Å; R219-G223 WeakPolarHBondContact O-CA 3.23Å; R219-G223 PolarHBondContact O-N 2.82Å; R219-E224 HydrophobicContact CG-CG 4.03Å; R219-E224 IonicContact CZ-OE1 3.92Å; R219-E224 IonicContact NE-OE1 3.52Å; R219-E224 PolarHBondContact NE-OE1 2.89Å; R219-E224 IonicContact NH2-OE1 3.43Å; R219-E224 PolarHBondContact NH2-OE1 3.2Å; R219-A227 HydrophobicContact CB-CB 3.68Å; R219-A227 HydrophobicContact CG-CB 4.47Å; R219-W335 VanDerWaalsContact CD-CD1 3.41Å; R219-W335 VanDerWaalsContact CD-CG 3.48Å; R219-W335 VanDerWaalsContact CZ-CB 3.48Å; R219-W335 PolarHBondContact NH2-O 3.49Å
220E90.8Very high91.6Very high37 Ų3730.1 Ų30.117%0.17313%0.128CC..Hα-helixtrans-59.3-30.2-176.2-170.867.1-177.300112.3K134 T136 L195 D216 H217K134-E220 WeakPolarHBondContact CD-OE1 3.34Å; K134-E220 WeakPolarHBondContact CE-OE1 3.44Å; K134-E220 IonicContact NZ-OE1 3.95Å; K134-E220 PolarHBondContact NZ-OE1 3.07Å; K134-E220 IonicContact NZ-OE2 3.38Å; K134-E220 PolarHBondContact NZ-OE2 2.99Å; T136-E220 WeakPolarHBondContact CG2-O 3.38Å; L195-E220 HydrophobicContact CD1-CG 4.04Å; D216-E220 WeakPolarHBondContact O-CB 3.41Å; D216-E220 PolarHBondContact O-N 3.17Å; H217-E220 PolarHBondContact O-N 3.36Å
221Y93Very high92.2Very high1 Ų123.3 Ų23.30%0.00410%0.104CC..Hα-helixtrans-94.3-45.4-177.6-165.7-102.7000114.2H177 E178 L195 R196 L199 H217 I218 R219 R634H177-Y221 AromaticContact ND1-CE1 3.78Å; H177-Y221 AromaticContact ND1-CZ 3.7Å; H177-Y221 PolarHBondContact ND1-OH 3.34Å; E178-Y221 HydrophobicContact CB-CE2 4.11Å; E178-Y221 HydrophobicContact CG-CE2 4.24Å; E178-Y221 PolarHBondContact N-OH 3.11Å; L195-Y221 HydrophobicContact CB-CD2 3.77Å; L195-Y221 HydrophobicContact CB-CE2 4.32Å; L195-Y221 HydrophobicContact CD1-CD2 4.38Å; R196-Y221 HydrophobicContact CB-CE2 4.12Å; R196-Y221 WeakPolarHBondContact CD-OH 3.43Å; L199-Y221 HydrophobicContact CD1-CD1 3.82Å; L199-Y221 HydrophobicContact CD1-CG 3.75Å; H217-Y221 WeakPolarHBondContact O-CB 3.38Å; H217-Y221 PolarHBondContact O-N 2.69Å; H217-Y221 VanDerWaalsContact O-N 3.14Å; I218-Y221 PolarHBondContact O-N 2.93Å; R219-Y221 PolarHBondContact O-N 3.43Å; R219-Y221 VanDerWaalsContact O-N 3.15Å; Y221-R634 PolarHBondContact O-NE 2.71Å; Y221-R634 PolarHBondContact O-NH2 3.35Å
222F93.3Very high92.6Very high1 Ų118.5 Ų18.50%0.0049%0.086CC..Hα-helixtrans-105.4-16.1-172.2-68.6-64.1000114.2L199 W203 I218 I226 Y628 V629 P635L199-F222 HydrophobicContact CD1-CD2 4.45Å; L199-F222 HydrophobicContact CD1-CE2 4.03Å; W203-F222 HydrophobicContact CZ3-CE2 4.19Å; I218-F222 HydrophobicContact CG2-CD2 4.24Å; I218-F222 WeakPolarHBondContact O-CB 3.05Å; I218-F222 PolarHBondContact O-N 3Å; F222-I226 HydrophobicContact CB-CB 4.03Å; F222-I226 HydrophobicContact CB-CD1 3.89Å; F222-I226 HydrophobicContact CB-CG2 3.96Å; F222-I226 HydrophobicContact CG-CG2 4.45Å; F222-Y628 HydrophobicContact CE1-CD1 4.4Å; F222-Y628 WeakPolarHBondContact CZ-O 3.4Å; F222-V629 HydrophobicContact CE2-CG2 4.43Å; F222-V629 HydrophobicContact CZ-CG2 4.42Å; F222-P635 HydrophobicContact CD1-CG 4.13Å
223G92.6Very high93.1Very high1 Ų114.6 Ų14.61%0.017%0.07CC..  trans101169.8-176.200000114.5R219 A227R219-G223 VanDerWaalsContact O-CA 3.27Å; R219-G223 WeakPolarHBondContact O-CA 3.23Å; R219-G223 PolarHBondContact O-N 2.82Å; G223-A227 WeakPolarHBondContact O-CB 3.39Å; G223-A227 PolarHBondContact O-N 3.47Å; G223-A227 VanDerWaalsContact O-N 3.13Å
224E92.3Very high93.2Very high24 Ų2413.9 Ų13.911%0.1127%0.073CC..Hα-helixtrans-66.6-40.2-175.8-68.679.3-171.200112.6R219 I226 A227 L228 W335R219-E224 HydrophobicContact CG-CG 4.03Å; R219-E224 IonicContact CZ-OE1 3.92Å; R219-E224 IonicContact NE-OE1 3.52Å; R219-E224 PolarHBondContact NE-OE1 2.89Å; R219-E224 IonicContact NH2-OE1 3.43Å; R219-E224 PolarHBondContact NH2-OE1 3.2Å; E224-I226 PolarHBondContact O-N 3.42Å; E224-A227 PolarHBondContact O-N 3.03Å; E224-L228 VanDerWaalsContact O-CB 3.32Å; E224-L228 WeakPolarHBondContact O-CB 3.45Å; E224-L228 PolarHBondContact O-N 2.79Å; E224-W335 HydrophobicContact CB-CE3 4.37Å; E224-W335 HydrophobicContact CG-CB 4.05Å; E224-W335 HydrophobicContact CG-CE3 4.35Å
225K92.6Very high93.3Very high49 Ų4914.7 Ų14.721%0.2138%0.075CC..Hα-helixtrans-59.7-43.6-178.7-167.2177.1-176.2166.70113Y229 E466 L585 E638 A640K225-Y229 PolarHBondContact O-N 2.93Å; K225-E466 IonicContact NZ-OE1 3.49Å; K225-E466 PolarHBondContact NZ-OE1 3.44Å; K225-E466 IonicContact NZ-OE2 2.95Å; K225-E466 PolarHBondContact NZ-OE2 3.49Å; K225-L585 HydrophobicContact CG-CD1 4Å; K225-E638 HydrophobicContact CB-CB 4.14Å; K225-E638 WeakPolarHBondContact CB-O 3.48Å; K225-E638 HydrophobicContact CD-CB 3.9Å; K225-E638 WeakPolarHBondContact CD-OE2 3.44Å; K225-E638 WeakPolarHBondContact CE-OE2 3.48Å; K225-E638 PolarHBondContact N-O 3.47Å; K225-E638 VanDerWaalsContact N-O 3.13Å; K225-E638 IonicContact NZ-OE2 2.58Å; K225-E638 PolarHBondContact NZ-OE2 3.22Å; K225-A640 HydrophobicContact CB-CB 3.88Å; K225-A640 HydrophobicContact CG-CB 4.03Å
226I94.4Very high93.5Very high11 Ų1112.7 Ų12.76%0.0566%0.064CC..Hα-helixtrans-74-40.4177.6-67.9165.1000110.9I218 F222 E224 L228 Y229 F230 L585 Y628 P635I218-I226 HydrophobicContact CG2-CG2 4.41Å; F222-I226 HydrophobicContact CB-CB 4.03Å; F222-I226 HydrophobicContact CB-CD1 3.89Å; F222-I226 HydrophobicContact CB-CG2 3.96Å; F222-I226 HydrophobicContact CG-CG2 4.45Å; E224-I226 PolarHBondContact O-N 3.42Å; I226-L228 VanDerWaalsContact C-N 3.27Å; I226-L228 PolarHBondContact O-N 3.28Å; I226-Y229 WeakPolarHBondContact O-CB 3.42Å; I226-Y229 PolarHBondContact O-N 3.08Å; I226-F230 HydrophobicContact CG2-CD2 3.82Å; I226-F230 HydrophobicContact CG2-CE2 3.74Å; I226-F230 WeakPolarHBondContact O-CD2 3.42Å; I226-F230 PolarHBondContact O-N 2.7Å; I226-F230 VanDerWaalsContact O-N 3.13Å; I226-L585 HydrophobicContact CG1-CD1 3.9Å; I226-L585 HydrophobicContact CG1-CG 4.45Å; I226-Y628 HydrophobicContact CD1-CD1 4.38Å; I226-Y628 HydrophobicContact CD1-CE1 3.81Å; I226-Y628 HydrophobicContact CG1-CE1 4.28Å; I226-Y628 HydrophobicContact CG2-CE1 4.28Å; I226-P635 HydrophobicContact CD1-CB 4.1Å; I226-P635 HydrophobicContact CD1-CG 3.29Å
227A94.9Very high93.7Very high0 Ų011.9 Ų11.90%06%0.06CC..Hα-helixtrans-61.5-37.517600000112.2I218 R219 G223 E224 F230 A231 W335I218-A227 HydrophobicContact CG2-CB 4.23Å; R219-A227 HydrophobicContact CB-CB 3.68Å; R219-A227 HydrophobicContact CG-CB 4.47Å; G223-A227 WeakPolarHBondContact O-CB 3.39Å; G223-A227 PolarHBondContact O-N 3.47Å; G223-A227 VanDerWaalsContact O-N 3.13Å; E224-A227 PolarHBondContact O-N 3.03Å; A227-F230 PolarHBondContact O-N 2.8Å; A227-A231 WeakPolarHBondContact O-CB 3.49Å; A227-A231 PolarHBondContact O-N 3.26Å; A227-W335 HydrophobicContact CB-CH2 3.65Å; A227-W335 HydrophobicContact CB-CZ2 4.18Å; A227-W335 HydrophobicContact CB-CZ3 3.99Å
228L94.7Very high93.7Very high2 Ų213.9 Ų13.91%0.018%0.078CC..Hα-helixtrans-67-37.7177.8-16467.8000112.1E224 I226 A231 W232 W324 L331 W335 D642 I643E224-L228 VanDerWaalsContact O-CB 3.32Å; E224-L228 WeakPolarHBondContact O-CB 3.45Å; E224-L228 PolarHBondContact O-N 2.79Å; I226-L228 VanDerWaalsContact C-N 3.27Å; I226-L228 PolarHBondContact O-N 3.28Å; L228-A231 PolarHBondContact O-N 3.11Å; L228-W232 WeakPolarHBondContact O-CB 3.25Å; L228-W232 PolarHBondContact O-N 2.95Å; L228-W324 HydrophobicContact CD1-CH2 4.28Å; L228-W324 HydrophobicContact CD1-CZ2 4.3Å; L228-W324 HydrophobicContact CG-CZ2 4.5Å; L228-L331 HydrophobicContact CD1-CD1 4.32Å; L228-W335 HydrophobicContact CB-CZ3 3.99Å; L228-W335 HydrophobicContact CD1-CZ3 3.85Å; L228-D642 VanDerWaalsContact CD2-O 3.23Å; L228-D642 WeakPolarHBondContact CD2-O 3.41Å; L228-I643 HydrophobicContact CD2-CG2 3.91Å; L228-I643 HydrophobicContact CG-CG2 4.07Å
229Y95.1Very high93.8Very high0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-59-50.5171.1167.5-103.8000111.6K225 I226 A231 W232 I233 L585 E588 Y589 D624K225-Y229 PolarHBondContact O-N 2.93Å; I226-Y229 WeakPolarHBondContact O-CB 3.42Å; I226-Y229 PolarHBondContact O-N 3.08Å; Y229-A231 VanDerWaalsContact C-N 3.29Å; Y229-A231 PolarHBondContact O-N 3.28Å; Y229-W232 PolarHBondContact O-N 3.18Å; Y229-W232 VanDerWaalsContact O-N 3.14Å; Y229-I233 WeakPolarHBondContact O-CG2 3.47Å; Y229-I233 PolarHBondContact O-N 3.3Å; Y229-L585 HydrophobicContact CD1-CD2 3.79Å; Y229-L585 HydrophobicContact CD2-CD2 4.34Å; Y229-L585 HydrophobicContact CE1-CD2 4.39Å; Y229-L585 HydrophobicContact CG-CD2 3.77Å; Y229-E588 HydrophobicContact CE1-CB 4.48Å; Y229-E588 HydrophobicContact CE2-CB 3.72Å; Y229-Y589 WeakPolarHBondContact CA-OH 3.46Å; Y229-Y589 WeakPolarHBondContact CB-OH 3.23Å; Y229-Y589 HydrophobicContact CD2-CD1 4.08Å; Y229-Y589 HydrophobicContact CD2-CD2 4.14Å; Y229-Y589 AromaticContact CD2-CE1 3.81Å; Y229-Y589 HydrophobicContact CD2-CE1 3.81Å; Y229-Y589 AromaticContact CD2-CE2 3.88Å; Y229-Y589 HydrophobicContact CD2-CE2 3.88Å; Y229-Y589 HydrophobicContact CD2-CG 4.25Å; Y229-Y589 AromaticContact CD2-CZ 3.72Å; Y229-Y589 HydrophobicContact CG-CE2 4.39Å; Y229-Y589 PolarHBondContact N-OH 3.36Å; Y229-D624 PolarHBondContact OH-OD2 3.17Å
230F95.3Very high93.9Very high0 Ų014.4 Ų14.40%08%0.08CC..Hα-helixtrans-65.8-32179.1-78.8-68.2000113.2W203 Q213 L215 I218 I226 A227 I233 G234 D624 Y628W203-F230 HydrophobicContact CH2-CD1 4.45Å; W203-F230 AromaticContact CH2-CD2 3.94Å; W203-F230 HydrophobicContact CH2-CD2 3.94Å; W203-F230 HydrophobicContact CH2-CE1 4.1Å; W203-F230 AromaticContact CH2-CE2 3.55Å; W203-F230 HydrophobicContact CH2-CE2 3.55Å; W203-F230 HydrophobicContact CH2-CG 4.37Å; W203-F230 AromaticContact CH2-CZ 3.63Å; W203-F230 HydrophobicContact CH2-CZ 3.63Å; W203-F230 AromaticContact CZ2-CD1 3.63Å; W203-F230 HydrophobicContact CZ2-CD1 3.63Å; W203-F230 AromaticContact CZ2-CD2 3.81Å; W203-F230 HydrophobicContact CZ2-CD2 3.81Å; W203-F230 AromaticContact CZ2-CE1 3.53Å; W203-F230 HydrophobicContact CZ2-CE1 3.53Å; W203-F230 AromaticContact CZ2-CE2 3.72Å; W203-F230 HydrophobicContact CZ2-CE2 3.72Å; W203-F230 AromaticContact CZ2-CG 3.76Å; W203-F230 HydrophobicContact CZ2-CG 3.76Å; W203-F230 AromaticContact CZ2-CZ 3.57Å; W203-F230 HydrophobicContact CZ2-CZ 3.57Å; Q213-F230 PolarHBondContact NE2-O 2.94Å; L215-F230 HydrophobicContact CD2-CB 4.28Å; I218-F230 HydrophobicContact CD1-CB 4.42Å; I218-F230 HydrophobicContact CG2-CD2 4.08Å; I226-F230 HydrophobicContact CG2-CD2 3.82Å; I226-F230 HydrophobicContact CG2-CE2 3.74Å; I226-F230 WeakPolarHBondContact O-CD2 3.42Å; I226-F230 PolarHBondContact O-N 2.7Å; I226-F230 VanDerWaalsContact O-N 3.13Å; A227-F230 PolarHBondContact O-N 2.8Å; F230-I233 HydrophobicContact CD1-CG2 4.24Å; F230-I233 WeakPolarHBondContact O-CG2 3.46Å; F230-G234 PolarHBondContact O-N 3Å; F230-G234 VanDerWaalsContact O-N 3.07Å; F230-D624 HydrophobicContact CE1-CB 3.8Å; F230-D624 HydrophobicContact CZ-CB 3.84Å; F230-Y628 HydrophobicContact CE2-CD2 4.02Å; F230-Y628 HydrophobicContact CE2-CE2 4.22Å; F230-Y628 AromaticContact CZ-CD2 3.89Å; F230-Y628 HydrophobicContact CZ-CD2 3.89Å; F230-Y628 HydrophobicContact CZ-CE2 4.2Å
231A94.9Very high94Very high8 Ų816.7 Ų16.77%0.0669%0.094CC..Hα-helixtrans-64.9-45.817100000111.3L215 A227 L228 Y229 G234 F235 W324 L331 W335L215-A231 HydrophobicContact CD1-CB 3.88Å; L215-A231 HydrophobicContact CD2-CB 4.01Å; A227-A231 WeakPolarHBondContact O-CB 3.49Å; A227-A231 PolarHBondContact O-N 3.26Å; L228-A231 PolarHBondContact O-N 3.11Å; Y229-A231 VanDerWaalsContact C-N 3.29Å; Y229-A231 PolarHBondContact O-N 3.28Å; A231-G234 PolarHBondContact O-N 3.19Å; A231-F235 VanDerWaalsContact O-CB 3.25Å; A231-F235 WeakPolarHBondContact O-CB 3.44Å; A231-F235 PolarHBondContact O-N 3.32Å; A231-W324 HydrophobicContact CB-CH2 4.28Å; A231-L331 HydrophobicContact CB-CD1 3.7Å; A231-W335 HydrophobicContact CB-CH2 4.39Å
232W95.9Very high94.1Very high0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-64.4-51.2179.3179.475.5000112.6L228 Y229 G234 F235 Y236 W324 Y589 M592 V593 I643 L650L228-W232 WeakPolarHBondContact O-CB 3.25Å; L228-W232 PolarHBondContact O-N 2.95Å; Y229-W232 PolarHBondContact O-N 3.18Å; Y229-W232 VanDerWaalsContact O-N 3.14Å; W232-G234 VanDerWaalsContact C-N 3.29Å; W232-G234 PolarHBondContact O-N 2.88Å; W232-F235 PolarHBondContact O-N 3.01Å; W232-Y236 HydrophobicContact CH2-CD1 4.27Å; W232-Y236 WeakPolarHBondContact O-CB 3.33Å; W232-Y236 PolarHBondContact O-N 2.95Å; W232-W324 VanDerWaalsContact CA-CZ3 3.45Å; W232-W324 HydrophobicContact CB-CH2 3.46Å; W232-W324 VanDerWaalsContact CB-CH2 3.46Å; W232-W324 HydrophobicContact CB-CZ2 3.61Å; W232-W324 HydrophobicContact CB-CZ3 4.02Å; W232-W324 AromaticContact CD1-CD2 3.6Å; W232-W324 AromaticContact CD1-CE2 3.39Å; W232-W324 AromaticContact CD1-CZ2 3.65Å; W232-W324 AromaticContact CD1-NE1 3.71Å; W232-W324 HydrophobicContact CG-CH2 4.2Å; W232-W324 HydrophobicContact CG-CZ2 4Å; W232-Y589 HydrophobicContact CD2-CE1 4.11Å; W232-Y589 HydrophobicContact CE3-CD1 4.01Å; W232-Y589 AromaticContact CE3-CE1 3.83Å; W232-Y589 HydrophobicContact CE3-CE1 3.83Å; W232-Y589 HydrophobicContact CG-CE1 4.44Å; W232-Y589 HydrophobicContact CZ3-CD1 4.1Å; W232-Y589 HydrophobicContact CZ3-CE1 4.38Å; W232-M592 HydrophobicContact CH2-CB 3.46Å; W232-M592 VanDerWaalsContact CH2-CB 3.46Å; W232-M592 HydrophobicContact CH2-CG 4.47Å; W232-M592 HydrophobicContact CZ3-CB 3.37Å; W232-M592 HydrophobicContact CZ3-CG 3.93Å; W232-V593 HydrophobicContact CH2-CG2 4.35Å; W232-I643 HydrophobicContact CB-CG2 4.45Å; W232-L650 HydrophobicContact CZ2-CD1 3.9Å
233I94.2Very high94.2Very high0 Ų019.3 Ų19.30%011%0.111CC..Hα-helixtrans-64.2-36178.9-168.2172.9000111.5Y229 F230 T237 M592 I621Y229-I233 WeakPolarHBondContact O-CG2 3.47Å; Y229-I233 PolarHBondContact O-N 3.3Å; F230-I233 HydrophobicContact CD1-CG2 4.24Å; F230-I233 WeakPolarHBondContact O-CG2 3.46Å; I233-T237 WeakPolarHBondContact O-CB 3.39Å; I233-T237 PolarHBondContact O-N 2.76Å; I233-T237 PolarHBondContact O-OG1 3.03Å; I233-M592 HydrophobicContact CD1-CG 4.34Å; I233-M592 HydrophobicContact CD1-SD 3.97Å; I233-M592 HydrophobicContact CG1-SD 4.44Å; I233-I621 HydrophobicContact CB-CG1 4.48Å; I233-I621 HydrophobicContact CD1-CG1 3.8Å; I233-I621 HydrophobicContact CG1-CD1 4.21Å; I233-I621 HydrophobicContact CG1-CG1 3.83Å; I233-I621 HydrophobicContact CG2-CD1 4.34Å; I233-I621 HydrophobicContact CG2-CG1 3.89Å
234G93.1Very high94.4Very high20 Ų2019.7 Ų19.721%0.20611%0.113CC..Hα-helixtrans-63.4-45.917400000112.3Q213 F230 A231 W232 T237 A238Q213-G234 VanDerWaalsContact NE2-CA 3.29Å; F230-G234 PolarHBondContact O-N 3Å; F230-G234 VanDerWaalsContact O-N 3.07Å; A231-G234 PolarHBondContact O-N 3.19Å; W232-G234 VanDerWaalsContact C-N 3.29Å; W232-G234 PolarHBondContact O-N 2.88Å; G234-T237 PolarHBondContact O-N 3.47Å; G234-A238 PolarHBondContact O-N 3.18Å
235F93.9Very high94.6Very high32 Ų3224.6 Ų24.614%0.1414%0.14CC..Hα-helixtrans-63-47.2176-178.7-93.1000111.5A231 W232 T237 A238 W239 F320 W324A231-F235 VanDerWaalsContact O-CB 3.25Å; A231-F235 WeakPolarHBondContact O-CB 3.44Å; A231-F235 PolarHBondContact O-N 3.32Å; W232-F235 PolarHBondContact O-N 3.01Å; F235-T237 PolarHBondContact O-N 3.26Å; F235-A238 PolarHBondContact O-N 3Å; F235-W239 AromaticContact CD1-CD1 3.94Å; F235-W239 AromaticContact CD2-NE1 3.98Å; F235-W239 AromaticContact CE1-CD1 3.58Å; F235-W239 HydrophobicContact CE1-CG 4.25Å; F235-W239 AromaticContact CE1-NE1 3.61Å; F235-W239 AromaticContact CE2-CD1 3.73Å; F235-W239 AromaticContact CE2-NE1 3.24Å; F235-W239 AromaticContact CZ-CD1 3.48Å; F235-W239 VanDerWaalsContact CZ-CD1 3.48Å; F235-W239 AromaticContact CZ-CE2 3.73Å; F235-W239 HydrophobicContact CZ-CG 4.37Å; F235-W239 HydrophobicContact CZ-CZ2 4.31Å; F235-W239 AromaticContact CZ-NE1 3Å; F235-W239 PolarHBondContact O-N 2.73Å; F235-F320 AromaticContact CD1-CD2 3.96Å; F235-F320 HydrophobicContact CD1-CD2 3.96Å; F235-F320 AromaticContact CD1-CE2 3.51Å; F235-F320 HydrophobicContact CD1-CE2 3.51Å; F235-F320 HydrophobicContact CD1-CZ 4.48Å; F235-F320 AromaticContact CE1-CD2 3.54Å; F235-F320 HydrophobicContact CE1-CD2 3.54Å; F235-F320 AromaticContact CE1-CE2 3.56Å; F235-F320 HydrophobicContact CE1-CE2 3.56Å; F235-W324 HydrophobicContact CB-CE3 3.93Å; F235-W324 HydrophobicContact CB-CZ3 3.91Å; F235-W324 HydrophobicContact CD1-CB 4.14Å; F235-W324 HydrophobicContact CD1-CD2 4.36Å; F235-W324 AromaticContact CD1-CE3 3.59Å; F235-W324 HydrophobicContact CD1-CE3 3.59Å; F235-W324 HydrophobicContact CD1-CZ3 4.42Å; F235-W324 HydrophobicContact CD2-CE3 4.38Å; F235-W324 HydrophobicContact CE1-CB 3.68Å; F235-W324 HydrophobicContact CE1-CE3 4.18Å; F235-W324 AromaticContact CG-CE3 3.72Å; F235-W324 HydrophobicContact CG-CE3 3.72Å; F235-W324 HydrophobicContact CG-CZ3 4.17Å; F235-W324 HydrophobicContact CZ-CB 4.32Å
236Y95.6Very high94.7Very high0 Ų023.8 Ų23.80%014%0.139CC..Hα-helixtrans-57.8-45175.4176.5-141000112.4W232 A238 W239 L240 W316 F320 F596 I599 N617W232-Y236 HydrophobicContact CH2-CD1 4.27Å; W232-Y236 WeakPolarHBondContact O-CB 3.33Å; W232-Y236 PolarHBondContact O-N 2.95Å; Y236-A238 PolarHBondContact O-N 3.49Å; Y236-W239 PolarHBondContact O-N 2.88Å; Y236-L240 HydrophobicContact CD2-CD1 4.17Å; Y236-L240 HydrophobicContact CD2-CG 4.06Å; Y236-L240 HydrophobicContact CE1-CD1 4.16Å; Y236-L240 HydrophobicContact CE2-CD1 3.75Å; Y236-L240 HydrophobicContact CE2-CD2 3.93Å; Y236-L240 HydrophobicContact CE2-CG 3.74Å; Y236-L240 WeakPolarHBondContact O-CG 2.89Å; Y236-L240 PolarHBondContact O-N 2.96Å; Y236-W316 HydrophobicContact CE2-CH2 4.1Å; Y236-F320 HydrophobicContact CD2-CE2 4.03Å; Y236-F320 AromaticContact CD2-CZ 3.9Å; Y236-F320 HydrophobicContact CD2-CZ 3.9Å; Y236-F320 HydrophobicContact CG-CE2 4.46Å; Y236-F320 HydrophobicContact CG-CZ 4.28Å; Y236-F596 AromaticContact CE2-CD2 3.88Å; Y236-F596 HydrophobicContact CE2-CD2 3.88Å; Y236-F596 WeakPolarHBondContact OH-CA 3.11Å; Y236-I599 HydrophobicContact CE2-CD1 4.12Å; Y236-I599 VanDerWaalsContact OH-CD1 3.28Å; Y236-I599 WeakPolarHBondContact OH-CD1 2.89Å; Y236-N617 WeakPolarHBondContact CD1-ND2 3.37Å; Y236-N617 WeakPolarHBondContact CE1-ND2 3.4Å
237T93.7Very high94.7Very high7 Ų723.2 Ų23.24%0.04314%0.136CC..Hα-helixtrans-63.5-40.5177.1-54.10000112.1I233 G234 F235 L240 L614 N617 W618 I621I233-T237 WeakPolarHBondContact O-CB 3.39Å; I233-T237 PolarHBondContact O-N 2.76Å; I233-T237 PolarHBondContact O-OG1 3.03Å; G234-T237 PolarHBondContact O-N 3.47Å; F235-T237 PolarHBondContact O-N 3.26Å; T237-L240 PolarHBondContact O-N 3.22Å; T237-L614 HydrophobicContact CG2-CD1 3.86Å; T237-L614 VanDerWaalsContact O-CD1 3.27Å; T237-L614 WeakPolarHBondContact O-CD1 3.47Å; T237-N617 HydrophobicContact CG2-CB 4.09Å; T237-N617 WeakPolarHBondContact OG1-CB 3.4Å; T237-W618 HydrophobicContact CG2-CE3 4.06Å; T237-I621 HydrophobicContact CG2-CD1 4.37Å; T237-I621 WeakPolarHBondContact OG1-CD1 3.44Å
238A91.8Very high94.6Very high53 Ų5325 Ų2544%0.43815%0.147SC..Hα-helixtrans-64.4-40.917600000111.8G234 F235 Y236 L240 L241G234-A238 PolarHBondContact O-N 3.18Å; F235-A238 PolarHBondContact O-N 3Å; Y236-A238 PolarHBondContact O-N 3.49Å; A238-L240 VanDerWaalsContact C-N 3.34Å; A238-L241 WeakPolarHBondContact O-CB 3.4Å; A238-L241 PolarHBondContact O-N 3.07Å
239W94.6Very high94.6Very high56 Ų5629.8 Ų29.821%0.21217%0.172CC..Hα-helixtrans-72.3-24.2177.6-85.478.3000113.7F235 Y236 L241 P242 W316 F320 Y323F235-W239 AromaticContact CD1-CD1 3.94Å; F235-W239 AromaticContact CD2-NE1 3.98Å; F235-W239 AromaticContact CE1-CD1 3.58Å; F235-W239 HydrophobicContact CE1-CG 4.25Å; F235-W239 AromaticContact CE1-NE1 3.61Å; F235-W239 AromaticContact CE2-CD1 3.73Å; F235-W239 AromaticContact CE2-NE1 3.24Å; F235-W239 AromaticContact CZ-CD1 3.48Å; F235-W239 VanDerWaalsContact CZ-CD1 3.48Å; F235-W239 AromaticContact CZ-CE2 3.73Å; F235-W239 HydrophobicContact CZ-CG 4.37Å; F235-W239 HydrophobicContact CZ-CZ2 4.31Å; F235-W239 AromaticContact CZ-NE1 3Å; F235-W239 PolarHBondContact O-N 2.73Å; Y236-W239 PolarHBondContact O-N 2.88Å; W239-L241 PolarHBondContact O-N 3.45Å; W239-P242 WeakPolarHBondContact O-CD 3.38Å; W239-P242 VanDerWaalsContact O-CG 3.22Å; W239-P242 WeakPolarHBondContact O-CG 3.34Å; W239-W316 HydrophobicContact CB-CZ2 4.18Å; W239-W316 AromaticContact CE3-NE1 3.88Å; W239-W316 PolarHBondContact O-NE1 3.41Å; W239-F320 HydrophobicContact CB-CD2 3.8Å; W239-F320 HydrophobicContact CB-CE2 4.44Å; W239-F320 HydrophobicContact CD2-CB 4.33Å; W239-F320 HydrophobicContact CD2-CD2 4.27Å; W239-F320 HydrophobicContact CE3-CB 3.96Å; W239-F320 AromaticContact CG-CD2 3.87Å; W239-F320 HydrophobicContact CG-CD2 3.87Å; W239-F320 HydrophobicContact CZ3-CB 4.44Å; W239-Y323 AromaticContact CH2-CD2 3.72Å; W239-Y323 HydrophobicContact CH2-CD2 3.72Å; W239-Y323 HydrophobicContact CH2-CE2 4.24Å; W239-Y323 AromaticContact CH2-CG 3.99Å; W239-Y323 HydrophobicContact CH2-CG 3.99Å; W239-Y323 HydrophobicContact CZ2-CD1 4.15Å; W239-Y323 AromaticContact CZ2-CD2 3.86Å; W239-Y323 HydrophobicContact CZ2-CD2 3.86Å; W239-Y323 AromaticContact CZ2-CG 3.61Å; W239-Y323 HydrophobicContact CZ2-CG 3.61Å
240L95.2Very high94.5Very high0 Ų030.3 Ų30.30%018%0.175CC..Hα-helixtrans-68.3-20.2172.4-78.5172.6000113.5Y236 T237 A238 A243 S244 W316 I599 A613 L614 N617Y236-L240 HydrophobicContact CD2-CD1 4.17Å; Y236-L240 HydrophobicContact CD2-CG 4.06Å; Y236-L240 HydrophobicContact CE1-CD1 4.16Å; Y236-L240 HydrophobicContact CE2-CD1 3.75Å; Y236-L240 HydrophobicContact CE2-CD2 3.93Å; Y236-L240 HydrophobicContact CE2-CG 3.74Å; Y236-L240 WeakPolarHBondContact O-CG 2.89Å; Y236-L240 PolarHBondContact O-N 2.96Å; T237-L240 PolarHBondContact O-N 3.22Å; A238-L240 VanDerWaalsContact C-N 3.34Å; L240-A243 PolarHBondContact O-N 2.8Å; L240-S244 VanDerWaalsContact O-CB 3.23Å; L240-S244 WeakPolarHBondContact O-CB 3.41Å; L240-S244 PolarHBondContact O-N 3.27Å; L240-W316 HydrophobicContact CD2-CH2 3.93Å; L240-W316 HydrophobicContact CD2-CZ2 3.97Å; L240-W316 HydrophobicContact CG-CZ2 4.37Å; L240-I599 HydrophobicContact CD2-CD1 3.59Å; L240-A613 HydrophobicContact CD1-CB 4.14Å; L240-A613 HydrophobicContact CD2-CB 4.47Å; L240-L614 HydrophobicContact CB-CB 4.22Å; L240-L614 HydrophobicContact CB-CD1 3.92Å; L240-N617 WeakPolarHBondContact CD1-ND2 3.49Å
241L93.6Very high94.3Very high86 Ų8631.8 Ų31.845%0.4518%0.181SC..Hα-helixtrans-57.6-55.2179-71166.7000113.4A238 W239 A243 S244 L245 L614A238-L241 WeakPolarHBondContact O-CB 3.4Å; A238-L241 PolarHBondContact O-N 3.07Å; W239-L241 PolarHBondContact O-N 3.45Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.11Å; L241-S244 PolarHBondContact O-N 3.19Å; L241-L245 PolarHBondContact O-N 2.95Å; L241-L614 HydrophobicContact CD2-CD1 3.91Å; L241-L614 HydrophobicContact CD2-CD2 3.67Å; L241-L614 HydrophobicContact CD2-CG 4.42Å; L241-L614 HydrophobicContact CG-CD1 4.07Å
242P94.9Very high94.1Very high57 Ų5736.2 Ų36.237%0.3720%0.203SC..Hα-helixtrans-61.5-38.3177.322.7-34.7000112.5W239 L245 V246W239-P242 WeakPolarHBondContact O-CD 3.38Å; W239-P242 VanDerWaalsContact O-CG 3.22Å; W239-P242 WeakPolarHBondContact O-CG 3.34Å; P242-L245 PolarHBondContact O-N 3.4Å; P242-V246 WeakPolarHBondContact O-CG2 3.48Å; P242-V246 PolarHBondContact O-N 3.22Å
243A95.6Very high93.8Very high0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-63.2-44.5177.100000112.6L240 L241 G247 F312 M313 W316 P610L240-A243 PolarHBondContact O-N 2.8Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.11Å; A243-G247 PolarHBondContact O-N 2.89Å; A243-F312 HydrophobicContact CB-CE1 4.37Å; A243-M313 HydrophobicContact CB-CE 4.2Å; A243-M313 HydrophobicContact CB-SD 3.6Å; A243-W316 HydrophobicContact CB-CD2 4.42Å; A243-P610 HydrophobicContact CB-CB 3.95Å; A243-P610 HydrophobicContact CB-CG 4.39Å
244S96Very high93.6Very high9 Ų940.1 Ų40.16%0.06322%0.223CC..Hα-helixtrans-62.3-42.8175.3175.30000112.1L240 L241 T248 L611L240-S244 VanDerWaalsContact O-CB 3.23Å; L240-S244 WeakPolarHBondContact O-CB 3.41Å; L240-S244 PolarHBondContact O-N 3.27Å; L241-S244 PolarHBondContact O-N 3.19Å; S244-T248 VanDerWaalsContact O-CB 3.26Å; S244-T248 WeakPolarHBondContact O-CB 3.49Å; S244-T248 PolarHBondContact O-N 2.82Å; S244-T248 PolarHBondContact O-OG1 2.8Å; S244-L611 WeakPolarHBondContact OG-CA 3.42Å; S244-L611 WeakPolarHBondContact OG-CB 3.43Å; S244-L611 WeakPolarHBondContact OG-CD1 3.42Å
245L95.9Very high93.4Very high127 Ų12744.1 Ų44.167%0.66524%0.235SC*.Hα-helixtrans-62.4-50.1178.1-176.768.4000111.6L241 P242 T248 L249L241-L245 PolarHBondContact O-N 2.95Å; P242-L245 PolarHBondContact O-N 3.4Å; L245-T248 PolarHBondContact O-N 2.94Å; L245-L249 WeakPolarHBondContact O-CB 3.35Å; L245-L249 PolarHBondContact O-N 3.47Å
246V95.5Very high93.1Very high31 Ų3147.7 Ų47.719%0.18826%0.259CS..Hα-helixtrans-65-45-179.7173.80000110.9P242 T248 L249 I250 F308 L309 F312P242-V246 WeakPolarHBondContact O-CG2 3.48Å; P242-V246 PolarHBondContact O-N 3.22Å; V246-T248 PolarHBondContact O-N 2.82Å; V246-L249 PolarHBondContact O-N 2.99Å; V246-I250 HydrophobicContact CG1-CD1 3.85Å; V246-I250 VanDerWaalsContact O-CG1 3.32Å; V246-I250 WeakPolarHBondContact O-CG1 3.48Å; V246-I250 PolarHBondContact O-N 2.97Å; V246-F308 HydrophobicContact CG1-CE1 4.1Å; V246-L309 HydrophobicContact CG1-CD1 4.02Å; V246-F312 HydrophobicContact CB-CD1 4.46Å; V246-F312 HydrophobicContact CB-CE1 4.2Å; V246-F312 HydrophobicContact CB-CZ 4.46Å; V246-F312 HydrophobicContact CG1-CD1 4.16Å; V246-F312 HydrophobicContact CG1-CE1 4.39Å; V246-F312 HydrophobicContact CG1-CG 4.4Å; V246-F312 HydrophobicContact CG2-CE1 4.27Å; V246-F312 HydrophobicContact CG2-CE2 4.32Å; V246-F312 HydrophobicContact CG2-CZ 4.03Å
247G94.2Very high92.7Very high0 Ų050.4 Ų50.40%027%0.274CS..Hα-helixtrans-61.6-43.3177.500000113A243 I250 F251 P607A243-G247 PolarHBondContact O-N 2.89Å; G247-I250 PolarHBondContact O-N 2.76Å; G247-F251 WeakPolarHBondContact O-CB 3.47Å; G247-F251 PolarHBondContact O-N 3.31Å; G247-P607 WeakPolarHBondContact CA-O 3.26Å
248T93.8Very high92.4Very high38 Ų3851 Ų5123%0.23328%0.277CS..Hα-helixtrans-65.5-41.4176.6-54.70000111.5S244 L245 V246 I250 F251 L252S244-T248 VanDerWaalsContact O-CB 3.26Å; S244-T248 WeakPolarHBondContact O-CB 3.49Å; S244-T248 PolarHBondContact O-N 2.82Å; S244-T248 PolarHBondContact O-OG1 2.8Å; L245-T248 PolarHBondContact O-N 2.94Å; V246-T248 PolarHBondContact O-N 2.82Å; T248-I250 PolarHBondContact O-N 2.82Å; T248-F251 PolarHBondContact O-N 2.99Å; T248-L252 HydrophobicContact CG2-CD1 4.26Å; T248-L252 HydrophobicContact CG2-CG 4.44Å; T248-L252 WeakPolarHBondContact O-CG 3.37Å; T248-L252 PolarHBondContact O-N 3.29Å
249L93.8Very high92.1Very high102 Ų10253 Ų5353%0.53429%0.288SS..Hα-helixtrans-60.4-46176.718064.1000111.5L245 V246 F251 L252 L253L245-L249 WeakPolarHBondContact O-CB 3.35Å; L245-L249 PolarHBondContact O-N 3.47Å; V246-L249 PolarHBondContact O-N 2.99Å; L249-F251 VanDerWaalsContact C-N 3.32Å; L249-F251 PolarHBondContact O-N 3.35Å; L249-L252 PolarHBondContact O-N 3.31Å; L249-L253 HydrophobicContact CG-CD1 4.26Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.49Å; L249-L253 PolarHBondContact O-N 3.3Å
250I92.8Very high91.7Very high11 Ų1153.8 Ų53.86%0.05630%0.302CS..Hα-helixtrans-63.8-39.9178.3-68.1167.5000111V246 G247 T248 L253 G254 T306 F308 L309V246-I250 HydrophobicContact CG1-CD1 3.85Å; V246-I250 VanDerWaalsContact O-CG1 3.32Å; V246-I250 WeakPolarHBondContact O-CG1 3.48Å; V246-I250 PolarHBondContact O-N 2.97Å; G247-I250 PolarHBondContact O-N 2.76Å; T248-I250 PolarHBondContact O-N 2.82Å; I250-L253 PolarHBondContact O-N 2.8Å; I250-G254 PolarHBondContact O-N 3.14Å; I250-T306 HydrophobicContact CG2-CG2 4.49Å; I250-F308 HydrophobicContact CD1-CD1 3.91Å; I250-F308 HydrophobicContact CD1-CE1 4.47Å; I250-L309 HydrophobicContact CD1-CB 3.69Å; I250-L309 HydrophobicContact CD1-CD1 4.03Å; I250-L309 HydrophobicContact CD1-CG 4.29Å
251F91.4Very high91.4Very high31 Ų3155 Ų5514%0.13631%0.309CS..Hα-helixtrans-63.1-43.1174.9-173-101.2000112.1G247 T248 L249 G254 F255 L300 F301 L608G247-F251 WeakPolarHBondContact O-CB 3.47Å; G247-F251 PolarHBondContact O-N 3.31Å; T248-F251 PolarHBondContact O-N 2.99Å; L249-F251 VanDerWaalsContact C-N 3.32Å; L249-F251 PolarHBondContact O-N 3.35Å; F251-G254 WeakPolarHBondContact O-CA 3.34Å; F251-G254 PolarHBondContact O-N 3.49Å; F251-G254 VanDerWaalsContact O-N 3.13Å; F251-F255 AromaticContact CD1-CE2 3.85Å; F251-F255 HydrophobicContact CD1-CE2 3.85Å; F251-F255 AromaticContact CE1-CE2 3.42Å; F251-F255 HydrophobicContact CE1-CE2 3.42Å; F251-F255 VanDerWaalsContact CE1-CE2 3.42Å; F251-F255 AromaticContact CE1-CZ 3.84Å; F251-F255 HydrophobicContact CE1-CZ 3.84Å; F251-F255 HydrophobicContact CZ-CE2 4.06Å; F251-F255 HydrophobicContact CZ-CZ 4.15Å; F251-F255 WeakPolarHBondContact O-CD2 3.48Å; F251-L300 HydrophobicContact CE2-CB 4.05Å; F251-L300 HydrophobicContact CZ-CD1 4.44Å; F251-F301 HydrophobicContact CD2-CE1 4.39Å; F251-F301 HydrophobicContact CE2-CD1 4.38Å; F251-F301 AromaticContact CE2-CE1 3.78Å; F251-F301 HydrophobicContact CE2-CE1 3.78Å; F251-F301 AromaticContact CE2-CZ 3.97Å; F251-F301 HydrophobicContact CE2-CZ 3.97Å; F251-L608 HydrophobicContact CB-CD2 3.88Å; F251-L608 HydrophobicContact CB-CG 4.18Å; F251-L608 HydrophobicContact CD1-CD1 3.8Å; F251-L608 HydrophobicContact CD1-CD2 3.96Å; F251-L608 HydrophobicContact CD1-CG 4.09Å; F251-L608 HydrophobicContact CD2-CD1 3.99Å; F251-L608 HydrophobicContact CD2-CG 3.96Å; F251-L608 HydrophobicContact CE1-CD1 3.72Å; F251-L608 HydrophobicContact CE1-CG 4.48Å; F251-L608 HydrophobicContact CE2-CD1 3.91Å; F251-L608 HydrophobicContact CE2-CG 4.37Å; F251-L608 HydrophobicContact CG-CD1 3.93Å; F251-L608 HydrophobicContact CG-CD2 3.86Å; F251-L608 HydrophobicContact CG-CG 3.8Å; F251-L608 HydrophobicContact CZ-CD1 3.78Å
252L91.2Very high91.3Very high101 Ų10153.7 Ų53.753%0.52930%0.304SS..Hα-helixtrans-64.1-41.1176-70175.4000112.2T248 L249 G254 F255T248-L252 HydrophobicContact CG2-CD1 4.26Å; T248-L252 HydrophobicContact CG2-CG 4.44Å; T248-L252 WeakPolarHBondContact O-CG 3.37Å; T248-L252 PolarHBondContact O-N 3.29Å; L249-L252 PolarHBondContact O-N 3.31Å; L252-G254 PolarHBondContact O-N 3.08Å; L252-F255 PolarHBondContact O-N 3.15Å
253L89.6Confident91Very high81 Ų8151 Ų5142%0.42429%0.286SS..Hα-helixtrans-62.3-31.5172.9-70.2171.9000112.1L249 I250 F255 V256 L257L249-L253 HydrophobicContact CG-CD1 4.26Å; L249-L253 VanDerWaalsContact O-CG 3.31Å; L249-L253 WeakPolarHBondContact O-CG 3.49Å; L249-L253 PolarHBondContact O-N 3.3Å; I250-L253 PolarHBondContact O-N 2.8Å; L253-F255 VanDerWaalsContact C-N 3.28Å; L253-F255 PolarHBondContact O-N 3.43Å; L253-V256 PolarHBondContact O-N 3.44Å; L253-V256 VanDerWaalsContact O-N 3.16Å; L253-L257 WeakPolarHBondContact O-CG 3.3Å; L253-L257 PolarHBondContact O-N 2.91Å; L253-L257 VanDerWaalsContact O-N 3.12Å
254G89.8Confident90.7Very high0 Ų051 Ų510%029%0.287CS..Hα-helixtrans-53.3-41.8173.200000113.1I250 F251 L252 V256 L257 V258 L300I250-G254 PolarHBondContact O-N 3.14Å; F251-G254 WeakPolarHBondContact O-CA 3.34Å; F251-G254 PolarHBondContact O-N 3.49Å; F251-G254 VanDerWaalsContact O-N 3.13Å; L252-G254 PolarHBondContact O-N 3.08Å; G254-V256 VanDerWaalsContact C-N 3.3Å; G254-V256 PolarHBondContact O-N 3.14Å; G254-L257 PolarHBondContact O-N 3.33Å; G254-V258 VanDerWaalsContact O-CG2 3.3Å; G254-V258 WeakPolarHBondContact O-CG2 3.29Å; G254-V258 PolarHBondContact O-N 3.34Å; G254-L300 VanDerWaalsContact C-CD2 3.5Å
255F89.3Confident90.4Very high105 Ų10555.2 Ų55.246%0.46130%0.304SS..Hα-helixtrans-62.3-37.1178.9-74.4-81.6000113F251 L252 L253 L300F251-F255 AromaticContact CD1-CE2 3.85Å; F251-F255 HydrophobicContact CD1-CE2 3.85Å; F251-F255 AromaticContact CE1-CE2 3.42Å; F251-F255 HydrophobicContact CE1-CE2 3.42Å; F251-F255 VanDerWaalsContact CE1-CE2 3.42Å; F251-F255 AromaticContact CE1-CZ 3.84Å; F251-F255 HydrophobicContact CE1-CZ 3.84Å; F251-F255 HydrophobicContact CZ-CE2 4.06Å; F251-F255 HydrophobicContact CZ-CZ 4.15Å; F251-F255 WeakPolarHBondContact O-CD2 3.48Å; L252-F255 PolarHBondContact O-N 3.15Å; L253-F255 VanDerWaalsContact C-N 3.28Å; L253-F255 PolarHBondContact O-N 3.43Å; F255-L300 HydrophobicContact CB-CD2 4.37Å; F255-L300 HydrophobicContact CD1-CD1 4.45Å; F255-L300 HydrophobicContact CD1-CD2 3.78Å; F255-L300 HydrophobicContact CD2-CD2 4.12Å; F255-L300 HydrophobicContact CE1-CD1 3.91Å; F255-L300 HydrophobicContact CE1-CD2 4.04Å; F255-L300 HydrophobicContact CE2-CD2 4.37Å; F255-L300 HydrophobicContact CG-CD2 3.83Å; F255-L300 HydrophobicContact CZ-CD1 4.07Å; F255-L300 HydrophobicContact CZ-CD2 4.33Å
256V87.1Confident90.1Very high106 Ų10651.2 Ų51.264%0.64228%0.282SS*.Hα-helixtrans-68.6-42.8176.5-178.60000110.2L253 G254 V258 S259L253-V256 PolarHBondContact O-N 3.44Å; L253-V256 VanDerWaalsContact O-N 3.16Å; G254-V256 VanDerWaalsContact C-N 3.3Å; G254-V256 PolarHBondContact O-N 3.14Å; V256-V258 PolarHBondContact O-N 3.09Å; V256-S259 PolarHBondContact O-N 3.43Å
257L86.4Confident89.7Confident58 Ų5849.8 Ų49.830%0.30427%0.273SS..Hα-helixtrans-63.9-40.3-179.8-71.5162.3000112.3L253 G254 S259 S260 D261 N303L253-L257 WeakPolarHBondContact O-CG 3.3Å; L253-L257 PolarHBondContact O-N 2.91Å; L253-L257 VanDerWaalsContact O-N 3.12Å; G254-L257 PolarHBondContact O-N 3.33Å; L257-S259 VanDerWaalsContact C-N 3.3Å; L257-S259 PolarHBondContact O-N 2.95Å; L257-S260 PolarHBondContact O-N 3.28Å; L257-S260 PolarHBondContact O-OG 2.72Å; L257-D261 PolarHBondContact O-N 2.97Å; L257-D261 VanDerWaalsContact O-N 3.11Å; L257-N303 HydrophobicContact CD1-CB 4.16Å
258V88.1Confident89.5Confident20 Ų2051.4 Ų51.412%0.12128%0.284CS..Hα-helixtrans-56.1-40.7-179.41660000112.8G254 V256 S260 K296 L299 L300G254-V258 VanDerWaalsContact O-CG2 3.3Å; G254-V258 WeakPolarHBondContact O-CG2 3.29Å; G254-V258 PolarHBondContact O-N 3.34Å; V256-V258 PolarHBondContact O-N 3.09Å; V258-S260 VanDerWaalsContact C-N 3.25Å; V258-S260 PolarHBondContact O-N 3.38Å; V258-K296 HydrophobicContact CG1-CB 3.94Å; V258-K296 HydrophobicContact CG1-CD 4.36Å; V258-K296 HydrophobicContact CG1-CG 3.98Å; V258-K296 WeakPolarHBondContact CG2-O 3.38Å; V258-L299 HydrophobicContact CG2-CB 3.71Å; V258-L300 HydrophobicContact CG2-CD2 3.64Å; V258-L300 HydrophobicContact CG2-CG 4.03Å
259S85.6Confident89.3Confident93 Ų9356.5 Ų56.565%0.6531%0.305SS*.Hα-helixtrans-69.3-24.4180-63.20000113.3V256 L257 K265V256-S259 PolarHBondContact O-N 3.43Å; L257-S259 VanDerWaalsContact C-N 3.3Å; L257-S259 PolarHBondContact O-N 2.95Å; S259-K265 WeakPolarHBondContact O-CE 3.48Å
260S86.6Confident88.7Confident74 Ų7452.1 Ų52.152%0.51728%0.283SS..Hα-helixtrans-98.8-13.5-175.765.70000114.7L257 V258 V262L257-S260 PolarHBondContact O-N 3.28Å; L257-S260 PolarHBondContact O-OG 2.72Å; V258-S260 VanDerWaalsContact C-N 3.25Å; V258-S260 PolarHBondContact O-N 3.38Å; S260-V262 PolarHBondContact O-N 3.16Å
261D88.8Confident88.2Confident26 Ų2658.6 Ų58.614%0.13931%0.313CS..  trans-69.5120.3-173.5-165.964.4000112.1L257 P263 A264 K265 L299 R674L257-D261 PolarHBondContact O-N 2.97Å; L257-D261 VanDerWaalsContact O-N 3.11Å; D261-P263 WeakPolarHBondContact OD2-CD 3.48Å; D261-A264 HydrophobicContact CB-CB 3.94Å; D261-A264 PolarHBondContact O-N 3.49Å; D261-A264 PolarHBondContact OD2-N 2.88Å; D261-K265 PolarHBondContact O-N 3.28Å; D261-L299 HydrophobicContact CB-CD1 4.46Å; D261-L299 HydrophobicContact CB-CD2 4.35Å; D261-L299 WeakPolarHBondContact OD2-CD2 3.24Å; D261-R674 IonicContact OD1-NH1 3.44Å; D261-R674 PolarHBondContact OD1-NH1 3.01Å; D261-R674 VanDerWaalsContact OD1-NH1 3.09Å; D261-R674 IonicContact OD2-CZ 2.76Å; D261-R674 IonicContact OD2-NH1 3.08Å; D261-R674 PolarHBondContact OD2-NH1 3.32Å
262V90.3Very high87.6Confident57 Ų5762.4 Ų62.435%0.34534%0.335SS..Hα-helixtrans-64.2-48.3-178.8176.70000112S260 A264 K265 E266S260-V262 PolarHBondContact O-N 3.16Å; V262-A264 VanDerWaalsContact C-N 3.25Å; V262-A264 PolarHBondContact O-N 3.22Å; V262-K265 WeakPolarHBondContact O-CB 3.5Å; V262-K265 PolarHBondContact O-N 3.3Å; V262-K265 VanDerWaalsContact O-N 3.08Å; V262-E266 PolarHBondContact O-N 2.86Å
263P89.1Confident87.3Confident0 Ų062.2 Ų62.20%034%0.338CS..Hα-helixtrans-57.9-35.1175.5-27.335.8000113.9D261 K265 E266 V267 L685 F688 V689D261-P263 WeakPolarHBondContact OD2-CD 3.48Å; P263-K265 VanDerWaalsContact C-N 3.35Å; P263-E266 PolarHBondContact O-N 3.04Å; P263-V267 VanDerWaalsContact O-CG2 3.26Å; P263-V267 WeakPolarHBondContact O-CG2 3.19Å; P263-V267 PolarHBondContact O-N 3.24Å; P263-L685 HydrophobicContact CG-CB 4.01Å; P263-L685 HydrophobicContact CG-CD1 4.28Å; P263-F688 HydrophobicContact CB-CD1 4.05Å; P263-F688 HydrophobicContact CG-CB 4.17Å; P263-F688 HydrophobicContact CG-CD1 4.01Å; P263-F688 HydrophobicContact CG-CG 4.37Å; P263-V689 HydrophobicContact CB-CG2 4.37Å
264A89.1Confident87.1Confident1 Ų159.6 Ų59.61%0.00832%0.323CS..Hα-helixtrans-64.4-39.4176.500000112.5D261 V262 V267 C268 Y295 L299D261-A264 HydrophobicContact CB-CB 3.94Å; D261-A264 PolarHBondContact O-N 3.49Å; D261-A264 PolarHBondContact OD2-N 2.88Å; V262-A264 VanDerWaalsContact C-N 3.25Å; V262-A264 PolarHBondContact O-N 3.22Å; A264-V267 PolarHBondContact O-N 3.26Å; A264-C268 PolarHBondContact O-N 3.23Å; A264-C268 VanDerWaalsContact O-N 3.14Å; A264-C268 PolarHBondContact O-SG 2.87Å; A264-Y295 HydrophobicContact CB-CD1 4.17Å; A264-Y295 HydrophobicContact CB-CE1 4.02Å; A264-L299 HydrophobicContact CB-CD1 3.57Å
265K90Very high87.1Confident97 Ų9762.2 Ų62.242%0.42234%0.336SS..Hα-helixtrans-64.9-45.1174-66.9178.1-178.7178.60110.8S259 D261 V262 P263 V267 C268 E269S259-K265 WeakPolarHBondContact O-CE 3.48Å; D261-K265 PolarHBondContact O-N 3.28Å; V262-K265 WeakPolarHBondContact O-CB 3.5Å; V262-K265 PolarHBondContact O-N 3.3Å; V262-K265 VanDerWaalsContact O-N 3.08Å; P263-K265 VanDerWaalsContact C-N 3.35Å; K265-V267 VanDerWaalsContact C-N 3.32Å; K265-V267 PolarHBondContact O-N 3.26Å; K265-C268 PolarHBondContact O-N 3.17Å; K265-C268 VanDerWaalsContact O-N 3.11Å; K265-E269 WeakPolarHBondContact O-CB 3.27Å; K265-E269 WeakPolarHBondContact O-CG 2.99Å; K265-E269 PolarHBondContact O-N 2.95Å
266E88.9Confident87Confident44 Ų4457.5 Ų57.521%0.20632%0.316CS..Hα-helixtrans-56.1-43.4175.4-68.4179.7178.800112.5V262 P263 S270 S686 G687 V689V262-E266 PolarHBondContact O-N 2.86Å; P263-E266 PolarHBondContact O-N 3.04Å; E266-S270 WeakPolarHBondContact O-CB 3.36Å; E266-S270 PolarHBondContact O-N 2.98Å; E266-S270 VanDerWaalsContact O-N 3.14Å; E266-S270 PolarHBondContact O-OG 3.14Å; E266-S686 VanDerWaalsContact OE1-CA 3.32Å; E266-S686 WeakPolarHBondContact OE1-CA 3.41Å; E266-G687 PolarHBondContact OE1-N 3.37Å; E266-V689 HydrophobicContact CB-CG2 4.04Å
267V88.8Confident87Confident0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-62.7-47.7176.4179.50000110.8P263 A264 K265 S270 Y288 S289 Y295 V689P263-V267 VanDerWaalsContact O-CG2 3.26Å; P263-V267 WeakPolarHBondContact O-CG2 3.19Å; P263-V267 PolarHBondContact O-N 3.24Å; A264-V267 PolarHBondContact O-N 3.26Å; K265-V267 VanDerWaalsContact C-N 3.32Å; K265-V267 PolarHBondContact O-N 3.26Å; V267-S270 PolarHBondContact O-OG 2.81Å; V267-Y288 HydrophobicContact CB-CD1 4.37Å; V267-Y288 HydrophobicContact CB-CE1 4.11Å; V267-Y288 HydrophobicContact CG1-CD1 3.8Å; V267-Y288 HydrophobicContact CG1-CE1 3.73Å; V267-Y288 HydrophobicContact CG2-CD1 4.15Å; V267-Y288 HydrophobicContact CG2-CE1 3.45Å; V267-Y288 VanDerWaalsContact CG2-CE1 3.45Å; V267-S289 WeakPolarHBondContact O-CA 3.32Å; V267-Y295 HydrophobicContact CB-CD1 4.39Å; V267-Y295 HydrophobicContact CG1-CG 4.45Å; V267-Y295 HydrophobicContact CG2-CD1 4.03Å; V267-Y295 HydrophobicContact CG2-CD2 4.25Å; V267-Y295 HydrophobicContact CG2-CE1 3.95Å; V267-Y295 HydrophobicContact CG2-CE2 4.17Å; V267-Y295 HydrophobicContact CG2-CG 4.18Å; V267-V689 HydrophobicContact CG2-CG2 3.84Å
268C89.2Confident86.7Confident34 Ų3450.8 Ų50.823%0.2328%0.278CS..Hα-helixtrans-73.4-31.3-173.2-64.40000113.5A264 K265 C292 K296A264-C268 PolarHBondContact O-N 3.23Å; A264-C268 VanDerWaalsContact O-N 3.14Å; A264-C268 PolarHBondContact O-SG 2.87Å; K265-C268 PolarHBondContact O-N 3.17Å; K265-C268 VanDerWaalsContact O-N 3.11Å; C268-C292 HydrophobicContact CB-CB 3.88Å; C268-C292 WeakPolarHBondContact CB-SG 3.15Å; C268-C292 WeakPolarHBondContact SG-CB 3.32Å; C268-C292 CovalentContact SG-SG 2.03Å; C268-C292 PolarHBondContact SG-SG 2.97Å; C268-K296 WeakPolarHBondContact SG-CE 3.35Å
269E89.3Confident86Confident145 Ų14552.8 Ų52.868%0.67829%0.288SS*.Hα-helixtrans-94.1-3.2-178.4-65169.8-171.300113.1K265 E271K265-E269 WeakPolarHBondContact O-CB 3.27Å; K265-E269 WeakPolarHBondContact O-CG 2.99Å; K265-E269 PolarHBondContact O-N 2.95Å; E269-E271 VanDerWaalsContact C-N 3.25Å; E269-E271 PolarHBondContact O-N 2.98Å
270S80.9Confident85.4Confident10 Ų1049.7 Ų49.77%0.0727%0.266CS..  trans-70-10.2-176.258.30000116.1E266 V267 D272 T273E266-S270 WeakPolarHBondContact O-CB 3.36Å; E266-S270 PolarHBondContact O-N 2.98Å; E266-S270 VanDerWaalsContact O-N 3.14Å; E266-S270 PolarHBondContact O-OG 3.14Å; V267-S270 PolarHBondContact O-OG 2.81Å; S270-D272 PolarHBondContact O-N 2.68Å; S270-T273 WeakPolarHBondContact CB-OG1 3.23Å; S270-T273 WeakPolarHBondContact O-CB 3.5Å; S270-T273 WeakPolarHBondContact O-CG2 3.48Å; S270-T273 PolarHBondContact O-N 3.22Å; S270-T273 PolarHBondContact O-OG1 2.88Å
271E82.7Confident84.6Confident147 Ų14752.8 Ų52.869%0.68728%0.277SS*.THydrogen-bonded Turntrans42.4-112.4-177.2-64.4-175.8173.700112.6E269 S289E269-E271 VanDerWaalsContact C-N 3.25Å; E269-E271 PolarHBondContact O-N 2.98Å; E271-S289 WeakPolarHBondContact O-CB 3.42Å; E271-S289 PolarHBondContact O-OG 3.49Å
272D79.9Confident83.7Confident111 Ų11156 Ų5659%0.59429%0.293SS*.THydrogen-bonded Turntrans-100.46.2-179-69.8-25.6000114.2S270 F274 N287S270-D272 PolarHBondContact O-N 2.68Å; D272-F274 VanDerWaalsContact C-N 3.35Å; D272-F274 PolarHBondContact O-N 2.7Å; D272-N287 PolarHBondContact OD1-ND2 3.34Å
273T83.4Confident83Confident97 Ų9755 Ų5560%0.59529%0.288SS*.SBendtrans-69.5-30.1-175.859.20000113.6S270S270-T273 WeakPolarHBondContact CB-OG1 3.23Å; S270-T273 WeakPolarHBondContact O-CB 3.5Å; S270-T273 WeakPolarHBondContact O-CG2 3.48Å; S270-T273 PolarHBondContact O-N 3.22Å; S270-T273 PolarHBondContact O-OG1 2.88Å
274F86.9Confident82.5Confident27 Ų2759.2 Ų59.212%0.11832%0.317CS..  trans-114.389.2-179.6-63.4-56.8000111.3D272 M276 Y288 V689 N690 L693D272-F274 VanDerWaalsContact C-N 3.35Å; D272-F274 PolarHBondContact O-N 2.7Å; F274-M276 HydrophobicContact CB-CE 3.88Å; F274-Y288 HydrophobicContact CB-CG 4.4Å; F274-Y288 WeakPolarHBondContact O-CB 3.47Å; F274-Y288 PolarHBondContact O-N 3.34Å; F274-V689 HydrophobicContact CD2-CG1 4.27Å; F274-V689 HydrophobicContact CE2-CG1 4.01Å; F274-V689 HydrophobicContact CZ-CG1 4.34Å; F274-N690 HydrophobicContact CE1-CB 4.44Å; F274-N690 HydrophobicContact CZ-CB 4.33Å; F274-L693 HydrophobicContact CD1-CD1 4.05Å; F274-L693 HydrophobicContact CE1-CD1 4.43Å; F274-L693 HydrophobicContact CG-CD1 4.3Å
275I88.8Confident82.3Confident54 Ų5462.2 Ų62.228%0.27734%0.336SS..EExtended strand (participates in β ladder)trans-85123.1172.9-58.1171.7000109.4T285 C709 R710I275-T285 HydrophobicContact CG2-CG2 4.21Å; I275-C709 CarbonylContact O-C 3.39Å; I275-C709 WeakPolarHBondContact O-CA 3.19Å; I275-R710 PolarHBondContact O-N 3.39Å
276M87.4Confident82.1Confident6 Ų660.4 Ų60.43%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-94.8147-178-66.5-67.3125.500112.6F274 W286 Y288 L693 R710F274-M276 HydrophobicContact CB-CE 3.88Å; M276-W286 HydrophobicContact CB-CD2 3.63Å; M276-W286 HydrophobicContact CB-CE3 3.86Å; M276-W286 HydrophobicContact CB-CG 4.26Å; M276-W286 HydrophobicContact CB-CH2 3.75Å; M276-W286 HydrophobicContact CB-CZ2 3.49Å; M276-W286 VanDerWaalsContact CB-CZ2 3.49Å; M276-W286 HydrophobicContact CB-CZ3 3.84Å; M276-W286 WeakPolarHBondContact CB-O 3.33Å; M276-W286 HydrophobicContact CG-CD2 4.24Å; M276-W286 HydrophobicContact CG-CE3 3.95Å; M276-W286 HydrophobicContact CG-CH2 3.52Å; M276-W286 HydrophobicContact CG-CZ2 3.82Å; M276-W286 HydrophobicContact CG-CZ3 3.51Å; M276-W286 PolarHBondContact N-O 3.08Å; M276-W286 PolarHBondContact O-N 3.42Å; M276-Y288 HydrophobicContact CE-CD2 4.03Å; M276-Y288 HydrophobicContact CE-CG 4.11Å; M276-Y288 HydrophobicContact CG-CD2 3.87Å; M276-Y288 HydrophobicContact CG-CG 4.45Å; M276-Y288 HydrophobicContact SD-CD2 4.06Å; M276-L693 HydrophobicContact CE-CD1 3.59Å; M276-L693 HydrophobicContact CE-CD2 3.75Å; M276-L693 HydrophobicContact CE-CG 4.26Å; M276-L693 HydrophobicContact SD-CD2 3.85Å; M276-R710 CarbonylContact C-O 3.59Å; M276-R710 WeakPolarHBondContact CA-O 3.25Å; M276-R710 HydrophobicContact CE-CB 3.68Å; M276-R710 HydrophobicContact SD-CB 4.26Å
277C86.4Confident82Confident9 Ų961 Ų616%0.06133%0.33CS..PPolyproline II helixtrans-67.5149.7176.4-59.70000111.6W286 P499 C709 R710C277-W286 PolarHBondContact O-NE1 3.16Å; C277-W286 VanDerWaalsContact O-NE1 3.1Å; C277-P499 HydrophobicContact CB-CG 4.31Å; C277-C709 WeakPolarHBondContact CA-SG 3.42Å; C277-C709 HydrophobicContact CB-CB 3.94Å; C277-C709 WeakPolarHBondContact CB-SG 3.43Å; C277-C709 WeakPolarHBondContact SG-CB 3.18Å; C277-C709 CovalentContact SG-SG 2.05Å; C277-C709 PolarHBondContact SG-SG 3.06Å; C277-R710 PolarHBondContact N-O 2.76Å; C277-R710 PolarHBondContact SG-O 3.27Å; C277-R710 VanDerWaalsContact SG-O 3.37Å
278P80.8Confident81.9Confident14 Ų1462.1 Ų62.19%0.09134%0.335CS..PPolyproline II helixtrans-66.5138.6-175.126.4-34.8000113.1C280 C283 R509P278-C280 PolarHBondContact O-N 3.18Å; P278-C283 HydrophobicContact CB-CB 3.94Å; P278-C283 WeakPolarHBondContact CB-O 3.5Å; P278-R509 PolarHBondContact O-NH1 3.15Å; P278-R509 VanDerWaalsContact O-NH1 3.13Å; P278-R509 PolarHBondContact O-NH2 3.48Å
279L73.3Confident81.8Confident63 Ų6361.9 Ų61.933%0.3333%0.334SS..SBendtrans-78.1-0.8179.1-68171.2000113.7W286 R509 A512L279-W286 HydrophobicContact CD1-CZ2 4.43Å; L279-R509 VanDerWaalsContact C-CZ 3.43Å; L279-R509 PolarHBondContact O-NH2 3.12Å; L279-A512 HydrophobicContact CD2-CB 4.19Å
280C72.6Confident81.6Confident28 Ų2859 Ų5919%0.18933%0.33CS..SBendtrans-154.2163.4172.178.80000110.3P278 I282 C283P278-C280 PolarHBondContact O-N 3.18Å; C280-I282 PolarHBondContact O-N 3.48Å; C280-I282 VanDerWaalsContact O-N 3.17Å; C280-C283 HydrophobicContact CB-CB 4.11Å; C280-C283 WeakPolarHBondContact CB-SG 3.02Å; C280-C283 PolarHBondContact O-N 3.31Å; C280-C283 VanDerWaalsContact SG-CA 3.56Å; C280-C283 WeakPolarHBondContact SG-CB 3.37Å; C280-C283 PolarHBondContact SG-N 3Å; C280-C283 CovalentContact SG-SG 2.03Å; C280-C283 PolarHBondContact SG-SG 3.06Å
281N70.9Confident81.8Confident138 Ų13859.2 Ų59.274%0.73833%0.33SS*.THydrogen-bonded Turntrans-64-21.1-177.7-66.6-2.8000113.6
282I70.1Confident82Confident95 Ų9553.5 Ų53.549%0.48731%0.306SS..THydrogen-bonded Turntrans-110.51.7-176.2-29.2177.3000111.3C280 V410 Y413C280-I282 PolarHBondContact O-N 3.48Å; C280-I282 VanDerWaalsContact O-N 3.17Å; I282-V410 HydrophobicContact CD1-CG1 4.22Å; I282-Y413 HydrophobicContact CB-CD1 4.09Å; I282-Y413 HydrophobicContact CB-CE1 3.69Å; I282-Y413 HydrophobicContact CG2-CD1 4.16Å; I282-Y413 HydrophobicContact CG2-CE1 3.56Å; I282-Y413 WeakPolarHBondContact O-CE1 3.28Å; I282-Y413 VanDerWaalsContact O-CZ 3.27Å; I282-Y413 PolarHBondContact O-OH 3.22Å
283C74.3Confident82.3Confident34 Ų3456.2 Ų56.223%0.2331%0.313CS..PPolyproline II helixtrans-86.1149.3-176.2-70.40000110.4P278 C280P278-C283 HydrophobicContact CB-CB 3.94Å; P278-C283 WeakPolarHBondContact CB-O 3.5Å; C280-C283 HydrophobicContact CB-CB 4.11Å; C280-C283 WeakPolarHBondContact CB-SG 3.02Å; C280-C283 PolarHBondContact O-N 3.31Å; C280-C283 VanDerWaalsContact SG-CA 3.56Å; C280-C283 WeakPolarHBondContact SG-CB 3.37Å; C280-C283 PolarHBondContact SG-N 3Å; C280-C283 CovalentContact SG-SG 2.03Å; C280-C283 PolarHBondContact SG-SG 3.06Å
284S79.8Confident82.4Confident89 Ų8954.2 Ų54.262%0.62230%0.301SS*.PPolyproline II helixtrans-74.6162.4169.263.60000111.9
285T84Confident82.3Confident64 Ų6454.4 Ų54.439%0.39330%0.301SS..PPolyproline II helixtrans-62.6156.5163.748.60000110.3I275 V707I275-T285 HydrophobicContact CG2-CG2 4.21Å; T285-V707 HydrophobicContact CG2-CG1 4.25Å
286W84.9Confident82.3Confident60 Ų6055.7 Ų55.723%0.22730%0.304CS..EExtended strand (participates in β ladder)trans-142.2148.5-176.955.6-81.3000110.8M276 C277 L279 Y288 I291 A515M276-W286 HydrophobicContact CB-CD2 3.63Å; M276-W286 HydrophobicContact CB-CE3 3.86Å; M276-W286 HydrophobicContact CB-CG 4.26Å; M276-W286 HydrophobicContact CB-CH2 3.75Å; M276-W286 HydrophobicContact CB-CZ2 3.49Å; M276-W286 VanDerWaalsContact CB-CZ2 3.49Å; M276-W286 HydrophobicContact CB-CZ3 3.84Å; M276-W286 WeakPolarHBondContact CB-O 3.33Å; M276-W286 HydrophobicContact CG-CD2 4.24Å; M276-W286 HydrophobicContact CG-CE3 3.95Å; M276-W286 HydrophobicContact CG-CH2 3.52Å; M276-W286 HydrophobicContact CG-CZ2 3.82Å; M276-W286 HydrophobicContact CG-CZ3 3.51Å; M276-W286 PolarHBondContact N-O 3.08Å; M276-W286 PolarHBondContact O-N 3.42Å; C277-W286 PolarHBondContact O-NE1 3.16Å; C277-W286 VanDerWaalsContact O-NE1 3.1Å; L279-W286 HydrophobicContact CD1-CZ2 4.43Å; W286-Y288 HydrophobicContact CH2-CD2 4.29Å; W286-Y288 AromaticContact CZ3-CD2 3.98Å; W286-Y288 HydrophobicContact CZ3-CD2 3.98Å; W286-I291 HydrophobicContact CD2-CD1 4.48Å; W286-I291 HydrophobicContact CE3-CD1 3.35Å; W286-I291 HydrophobicContact CH2-CD1 3.66Å; W286-I291 HydrophobicContact CZ3-CD1 2.88Å; W286-I291 HydrophobicContact CZ3-CG1 4.39Å; W286-A515 HydrophobicContact CH2-CB 4.37Å
287N88Confident82.2Confident55 Ų5556.6 Ų56.629%0.29431%0.313SS..EExtended strand (participates in β ladder)trans-83.2136.7-178.8-69.7-16.7000111.4D272 S289 S290D272-N287 PolarHBondContact OD1-ND2 3.34Å; N287-S289 VanDerWaalsContact C-N 3.29Å; N287-S289 PolarHBondContact O-N 3.48Å; N287-S290 WeakPolarHBondContact O-CB 3.5Å; N287-S290 PolarHBondContact O-N 2.96Å; N287-S290 PolarHBondContact O-OG 3.34Å
288Y86.6Confident82.2Confident24 Ų2456.6 Ų56.69%0.09431%0.314CS..G310 helixtrans-64.8-33.2-178.5-163.3-120.7000113.2V267 F274 M276 W286 S290 I291 V689V267-Y288 HydrophobicContact CB-CD1 4.37Å; V267-Y288 HydrophobicContact CB-CE1 4.11Å; V267-Y288 HydrophobicContact CG1-CD1 3.8Å; V267-Y288 HydrophobicContact CG1-CE1 3.73Å; V267-Y288 HydrophobicContact CG2-CD1 4.15Å; V267-Y288 HydrophobicContact CG2-CE1 3.45Å; V267-Y288 VanDerWaalsContact CG2-CE1 3.45Å; F274-Y288 HydrophobicContact CB-CG 4.4Å; F274-Y288 WeakPolarHBondContact O-CB 3.47Å; F274-Y288 PolarHBondContact O-N 3.34Å; M276-Y288 HydrophobicContact CE-CD2 4.03Å; M276-Y288 HydrophobicContact CE-CG 4.11Å; M276-Y288 HydrophobicContact CG-CD2 3.87Å; M276-Y288 HydrophobicContact CG-CG 4.45Å; M276-Y288 HydrophobicContact SD-CD2 4.06Å; W286-Y288 HydrophobicContact CH2-CD2 4.29Å; W286-Y288 AromaticContact CZ3-CD2 3.98Å; W286-Y288 HydrophobicContact CZ3-CD2 3.98Å; Y288-S290 PolarHBondContact O-N 2.88Å; Y288-I291 PolarHBondContact O-N 2.74Å; Y288-V689 HydrophobicContact CD1-CG1 4.1Å; Y288-V689 HydrophobicContact CE1-CG1 3.63Å
289S86.9Confident82.4Confident29 Ų2956.6 Ų56.620%0.20331%0.313CS..G310 helixtrans-58.5-28.1177.455.60000114V267 E271 N287 I291 C292V267-S289 WeakPolarHBondContact O-CA 3.32Å; E271-S289 WeakPolarHBondContact O-CB 3.42Å; E271-S289 PolarHBondContact O-OG 3.49Å; N287-S289 VanDerWaalsContact C-N 3.29Å; N287-S289 PolarHBondContact O-N 3.48Å; S289-I291 PolarHBondContact O-N 2.91Å; S289-C292 VanDerWaalsContact O-CB 3.27Å; S289-C292 WeakPolarHBondContact O-CB 3.39Å; S289-C292 PolarHBondContact O-N 3.08Å
290S85.7Confident82.9Confident86 Ų8654.6 Ų54.660%0.60130%0.303SS*.G310 helixtrans-59.6-1817867.60000114.1N287 Y288N287-S290 WeakPolarHBondContact O-CB 3.5Å; N287-S290 PolarHBondContact O-N 2.96Å; N287-S290 PolarHBondContact O-OG 3.34Å; Y288-S290 PolarHBondContact O-N 2.88Å
291I83.9Confident83.4Confident13 Ų1354.6 Ų54.67%0.06730%0.3CS..G310 helixtrans-102.57.2-176.6-68.4133.2000112.2W286 Y288 S289 F293 T294 Y295 A515W286-I291 HydrophobicContact CD2-CD1 4.48Å; W286-I291 HydrophobicContact CE3-CD1 3.35Å; W286-I291 HydrophobicContact CH2-CD1 3.66Å; W286-I291 HydrophobicContact CZ3-CD1 2.88Å; W286-I291 HydrophobicContact CZ3-CG1 4.39Å; Y288-I291 PolarHBondContact O-N 2.74Å; S289-I291 PolarHBondContact O-N 2.91Å; I291-F293 PolarHBondContact O-N 3.3Å; I291-F293 VanDerWaalsContact O-N 3.1Å; I291-T294 PolarHBondContact O-N 2.85Å; I291-Y295 WeakPolarHBondContact O-CB 3.33Å; I291-Y295 PolarHBondContact O-N 3.15Å; I291-A515 HydrophobicContact CB-CB 4.19Å; I291-A515 HydrophobicContact CD1-CB 3.31Å; I291-A515 HydrophobicContact CG1-CB 3.4Å; I291-A515 HydrophobicContact CG2-CB 3.7Å; I291-A515 WeakPolarHBondContact CG2-O 3.28Å
292C88.1Confident84.1Confident28 Ų2849 Ų4919%0.18927%0.27CS..Hα-helixtrans-44.2-47.1176.9169.90000113C268 S289 K296C268-C292 HydrophobicContact CB-CB 3.88Å; C268-C292 WeakPolarHBondContact CB-SG 3.15Å; C268-C292 WeakPolarHBondContact SG-CB 3.32Å; C268-C292 CovalentContact SG-SG 2.03Å; C268-C292 PolarHBondContact SG-SG 2.97Å; S289-C292 VanDerWaalsContact O-CB 3.27Å; S289-C292 WeakPolarHBondContact O-CB 3.39Å; S289-C292 PolarHBondContact O-N 3.08Å; C292-K296 WeakPolarHBondContact O-CB 3.47Å; C292-K296 WeakPolarHBondContact O-CG 3.35Å; C292-K296 PolarHBondContact O-N 3.13Å
293F86.6Confident84.8Confident168 Ų16845.2 Ų45.274%0.73725%0.251SS*.Hα-helixtrans-62.1-51.3178.6179.4-97.9000112.3I291 Y295 K296 A297I291-F293 PolarHBondContact O-N 3.3Å; I291-F293 VanDerWaalsContact O-N 3.1Å; F293-Y295 VanDerWaalsContact C-N 3.33Å; F293-Y295 PolarHBondContact O-N 3.45Å; F293-K296 PolarHBondContact O-N 2.97Å; F293-A297 WeakPolarHBondContact O-CB 3.48Å; F293-A297 PolarHBondContact O-N 3.22Å
294T84.1Confident85.4Confident55 Ų5551.5 Ų51.534%0.33727%0.27SS..Hα-helixtrans-66.2-35.7-178.6-410000111.8I291 A297 G298 I520I291-T294 PolarHBondContact O-N 2.85Å; T294-A297 PolarHBondContact O-N 3.41Å; T294-G298 PolarHBondContact O-N 3.23Å; T294-I520 HydrophobicContact CG2-CD1 4Å; T294-I520 WeakPolarHBondContact O-CD1 3.19Å
295Y86.2Confident85.9Confident30 Ų3047.5 Ų47.512%0.11824%0.242CC..Hα-helixtrans-65.4-45.8175-171.5-91.3000111.4A264 V267 I291 F293 A297 G298 L299 R674A264-Y295 HydrophobicContact CB-CD1 4.17Å; A264-Y295 HydrophobicContact CB-CE1 4.02Å; V267-Y295 HydrophobicContact CB-CD1 4.39Å; V267-Y295 HydrophobicContact CG1-CG 4.45Å; V267-Y295 HydrophobicContact CG2-CD1 4.03Å; V267-Y295 HydrophobicContact CG2-CD2 4.25Å; V267-Y295 HydrophobicContact CG2-CE1 3.95Å; V267-Y295 HydrophobicContact CG2-CE2 4.17Å; V267-Y295 HydrophobicContact CG2-CG 4.18Å; I291-Y295 WeakPolarHBondContact O-CB 3.33Å; I291-Y295 PolarHBondContact O-N 3.15Å; F293-Y295 VanDerWaalsContact C-N 3.33Å; F293-Y295 PolarHBondContact O-N 3.45Å; Y295-A297 VanDerWaalsContact C-N 3.34Å; Y295-A297 PolarHBondContact O-N 3.21Å; Y295-G298 PolarHBondContact O-N 2.96Å; Y295-G298 VanDerWaalsContact O-N 3.16Å; Y295-L299 HydrophobicContact CD1-CD1 3.77Å; Y295-L299 HydrophobicContact CE1-CD1 3.63Å; Y295-L299 HydrophobicContact CE1-CG 4.47Å; Y295-L299 PolarHBondContact O-N 3.35Å; Y295-L299 VanDerWaalsContact O-N 3.17Å; Y295-R674 PolarHBondContact OH-NH2 3.3Å
296K88.1Confident86.1Confident82 Ų8244.6 Ų44.636%0.35723%0.225SC..Hα-helixtrans-60.7-41.2173.4-78.2178.2170168.70112.2V258 C268 C292 F293 G298 L299V258-K296 HydrophobicContact CG1-CB 3.94Å; V258-K296 HydrophobicContact CG1-CD 4.36Å; V258-K296 HydrophobicContact CG1-CG 3.98Å; V258-K296 WeakPolarHBondContact CG2-O 3.38Å; C268-K296 WeakPolarHBondContact SG-CE 3.35Å; C292-K296 WeakPolarHBondContact O-CB 3.47Å; C292-K296 WeakPolarHBondContact O-CG 3.35Å; C292-K296 PolarHBondContact O-N 3.13Å; F293-K296 PolarHBondContact O-N 2.97Å; K296-G298 VanDerWaalsContact C-N 3.33Å; K296-L299 WeakPolarHBondContact O-CB 3.12Å; K296-L299 PolarHBondContact O-N 3.13Å
297A85.6Confident86.3Confident25 Ų2542.6 Ų42.621%0.20722%0.219CC..Hα-helixtrans-62.8-40.7173.900000111.5F293 T294 Y295 L299 L300 F301F293-A297 WeakPolarHBondContact O-CB 3.48Å; F293-A297 PolarHBondContact O-N 3.22Å; T294-A297 PolarHBondContact O-N 3.41Å; Y295-A297 VanDerWaalsContact C-N 3.34Å; Y295-A297 PolarHBondContact O-N 3.21Å; A297-L299 VanDerWaalsContact C-N 3.29Å; A297-L299 PolarHBondContact O-N 3.27Å; A297-L300 VanDerWaalsContact O-CB 3.3Å; A297-L300 WeakPolarHBondContact O-CB 3.43Å; A297-L300 PolarHBondContact O-N 3.13Å; A297-L300 VanDerWaalsContact O-N 3.1Å; A297-F301 WeakPolarHBondContact O-CD2 3.31Å
298G85.4Confident86.6Confident9 Ų945.4 Ų45.49%0.09323%0.229CC..Hα-helixtrans-58.5-37.2176.100000114T294 Y295 K296 L300 F301 D302T294-G298 PolarHBondContact O-N 3.23Å; Y295-G298 PolarHBondContact O-N 2.96Å; Y295-G298 VanDerWaalsContact O-N 3.16Å; K296-G298 VanDerWaalsContact C-N 3.33Å; G298-L300 VanDerWaalsContact C-N 3.27Å; G298-L300 PolarHBondContact O-N 2.77Å; G298-F301 CarbonylContact O-C 3.55Å; G298-F301 PolarHBondContact O-N 3.21Å; G298-F301 VanDerWaalsContact O-N 3.07Å; G298-D302 WeakPolarHBondContact O-CB 3.41Å; G298-D302 PolarHBondContact O-N 3.2Å
299L85.3Confident86.9Confident13 Ų1344.3 Ų44.37%0.06823%0.225CC..Hα-helixtrans-66-23.8176.3-81.9149.9000114.2V258 D261 A264 Y295 K296 A297 F301V258-L299 HydrophobicContact CG2-CB 3.71Å; D261-L299 HydrophobicContact CB-CD1 4.46Å; D261-L299 HydrophobicContact CB-CD2 4.35Å; D261-L299 WeakPolarHBondContact OD2-CD2 3.24Å; A264-L299 HydrophobicContact CB-CD1 3.57Å; Y295-L299 HydrophobicContact CD1-CD1 3.77Å; Y295-L299 HydrophobicContact CE1-CD1 3.63Å; Y295-L299 HydrophobicContact CE1-CG 4.47Å; Y295-L299 PolarHBondContact O-N 3.35Å; Y295-L299 VanDerWaalsContact O-N 3.17Å; K296-L299 WeakPolarHBondContact O-CB 3.12Å; K296-L299 PolarHBondContact O-N 3.13Å; A297-L299 VanDerWaalsContact C-N 3.29Å; A297-L299 PolarHBondContact O-N 3.27Å; L299-F301 PolarHBondContact O-N 3.38Å
300L84.6Confident87.2Confident21 Ų2142.9 Ų42.911%0.1122%0.215CC..Hα-helixtrans-64.2-32171.8-62.2173000111.1F251 G254 F255 V258 A297 G298 N303F251-L300 HydrophobicContact CE2-CB 4.05Å; F251-L300 HydrophobicContact CZ-CD1 4.44Å; G254-L300 VanDerWaalsContact C-CD2 3.5Å; F255-L300 HydrophobicContact CB-CD2 4.37Å; F255-L300 HydrophobicContact CD1-CD1 4.45Å; F255-L300 HydrophobicContact CD1-CD2 3.78Å; F255-L300 HydrophobicContact CD2-CD2 4.12Å; F255-L300 HydrophobicContact CE1-CD1 3.91Å; F255-L300 HydrophobicContact CE1-CD2 4.04Å; F255-L300 HydrophobicContact CE2-CD2 4.37Å; F255-L300 HydrophobicContact CG-CD2 3.83Å; F255-L300 HydrophobicContact CZ-CD1 4.07Å; F255-L300 HydrophobicContact CZ-CD2 4.33Å; V258-L300 HydrophobicContact CG2-CD2 3.64Å; V258-L300 HydrophobicContact CG2-CG 4.03Å; A297-L300 VanDerWaalsContact O-CB 3.3Å; A297-L300 WeakPolarHBondContact O-CB 3.43Å; A297-L300 PolarHBondContact O-N 3.13Å; A297-L300 VanDerWaalsContact O-N 3.1Å; G298-L300 VanDerWaalsContact C-N 3.27Å; G298-L300 PolarHBondContact O-N 2.77Å; L300-N303 PolarHBondContact O-ND2 3.36Å; L300-N303 VanDerWaalsContact O-ND2 3.12Å
301F82.7Confident87.5Confident29 Ų2941.7 Ų41.713%0.12720%0.201CC..Hα-helixtrans-97.6-27.2180-55.7-78000113F251 A297 G298 L299 T306 L519F251-F301 HydrophobicContact CD2-CE1 4.39Å; F251-F301 HydrophobicContact CE2-CD1 4.38Å; F251-F301 AromaticContact CE2-CE1 3.78Å; F251-F301 HydrophobicContact CE2-CE1 3.78Å; F251-F301 AromaticContact CE2-CZ 3.97Å; F251-F301 HydrophobicContact CE2-CZ 3.97Å; A297-F301 WeakPolarHBondContact O-CD2 3.31Å; G298-F301 CarbonylContact O-C 3.55Å; G298-F301 PolarHBondContact O-N 3.21Å; G298-F301 VanDerWaalsContact O-N 3.07Å; L299-F301 PolarHBondContact O-N 3.38Å; F301-T306 WeakPolarHBondContact O-CG2 3.45Å; F301-L519 HydrophobicContact CB-CD2 3.74Å
302D85.3Confident88Confident21 Ų2143.7 Ų43.711%0.11221%0.209CC..SBendtrans-111.275.6-177.5-168.424.2000110.9G298 L519 S669 S670G298-D302 WeakPolarHBondContact O-CB 3.41Å; G298-D302 PolarHBondContact O-N 3.2Å; D302-L519 HydrophobicContact CB-CD2 4.47Å; D302-S669 WeakPolarHBondContact OD1-CB 3.01Å; D302-S669 PolarHBondContact OD1-OG 2.86Å; D302-S670 VanDerWaalsContact OD2-CB 3.32Å; D302-S670 WeakPolarHBondContact OD2-CB 3.39Å; D302-S670 PolarHBondContact OD2-N 3.36Å; D302-S670 PolarHBondContact OD2-OG 2.94Å
303N84.9Confident88.3Confident15 Ų1542.5 Ų42.58%0.0820%0.201CC..SBendtrans-127.3167.9178.463.755.9000111.4L257 L300 G305 T306L257-N303 HydrophobicContact CD1-CB 4.16Å; L300-N303 PolarHBondContact O-ND2 3.36Å; L300-N303 VanDerWaalsContact O-ND2 3.12Å; N303-G305 PolarHBondContact O-N 2.69Å; N303-G305 VanDerWaalsContact O-N 3.16Å; N303-G305 WeakPolarHBondContact OD1-CA 3.33Å; N303-G305 PolarHBondContact OD1-N 2.73Å; N303-T306 PolarHBondContact O-N 3.41Å; N303-T306 PolarHBondContact O-OG1 3.12Å; N303-T306 PolarHBondContact OD1-N 3.32Å
304W87.4Confident88.6Confident165 Ų16534.6 Ų34.663%0.62517%0.167SC*.Hα-helixtrans-60.9-26.5178.867.9-91.1000112.8T306 V307 F671W304-T306 VanDerWaalsContact C-N 3.28Å; W304-T306 PolarHBondContact O-N 2.85Å; W304-V307 PolarHBondContact O-N 3.05Å; W304-F671 HydrophobicContact CB-CE2 4.43Å
305G89.9Confident89Confident5 Ų534 Ų345%0.05216%0.161CC..Hα-helixtrans-65.1-27.3175.300000113.1N303 V307 F308 L309N303-G305 PolarHBondContact O-N 2.69Å; N303-G305 VanDerWaalsContact O-N 3.16Å; N303-G305 WeakPolarHBondContact OD1-CA 3.33Å; N303-G305 PolarHBondContact OD1-N 2.73Å; G305-V307 VanDerWaalsContact C-N 3.33Å; G305-V307 PolarHBondContact O-N 3.43Å; G305-F308 WeakPolarHBondContact O-CB 3.4Å; G305-F308 PolarHBondContact O-N 2.86Å; G305-L309 WeakPolarHBondContact O-CB 3.46Å; G305-L309 PolarHBondContact O-N 2.76Å
306T87.1Confident89.4Confident3 Ų332.9 Ų32.92%0.01816%0.157CC..Hα-helixtrans-72.8-26.3178.262.70000113.3I250 F301 N303 W304 L309 S310 P607I250-T306 HydrophobicContact CG2-CG2 4.49Å; F301-T306 WeakPolarHBondContact O-CG2 3.45Å; N303-T306 PolarHBondContact O-N 3.41Å; N303-T306 PolarHBondContact O-OG1 3.12Å; N303-T306 PolarHBondContact OD1-N 3.32Å; W304-T306 VanDerWaalsContact C-N 3.28Å; W304-T306 PolarHBondContact O-N 2.85Å; T306-L309 PolarHBondContact O-N 3.16Å; T306-S310 WeakPolarHBondContact O-CB 3.4Å; T306-S310 PolarHBondContact O-N 3.04Å; T306-S310 PolarHBondContact O-OG 3.47Å; T306-P607 HydrophobicContact CG2-CG 3.72Å
307V90.7Very high89.7Confident19 Ų1929 Ų2912%0.11514%0.14CC..Hα-helixtrans-64.9-47.5168.5-177.30000110W304 G305 L309 S310 I311 I665 F671 F735W304-V307 PolarHBondContact O-N 3.05Å; G305-V307 VanDerWaalsContact C-N 3.33Å; G305-V307 PolarHBondContact O-N 3.43Å; V307-L309 VanDerWaalsContact C-N 3.35Å; V307-L309 PolarHBondContact O-N 2.89Å; V307-S310 PolarHBondContact O-N 3.31Å; V307-I311 PolarHBondContact O-N 2.97Å; V307-I665 HydrophobicContact CG1-CD1 4.39Å; V307-I665 HydrophobicContact CG2-CD1 4.35Å; V307-I665 HydrophobicContact CG2-CG2 3.93Å; V307-F671 HydrophobicContact CG2-CD1 3.99Å; V307-F671 HydrophobicContact CG2-CD2 4.05Å; V307-F671 HydrophobicContact CG2-CE1 4.08Å; V307-F671 HydrophobicContact CG2-CE2 4.15Å; V307-F671 HydrophobicContact CG2-CG 3.98Å; V307-F671 HydrophobicContact CG2-CZ 4.16Å; V307-F735 HydrophobicContact CG1-CZ 4.48Å
308F92.8Very high90Very high114 Ų11428 Ų2850%0.513%0.131SC..Hα-helixtrans-59.4-45.8174.7171.5-98.2000111.5V246 I250 G305 S310 I311 F312V246-F308 HydrophobicContact CG1-CE1 4.1Å; I250-F308 HydrophobicContact CD1-CD1 3.91Å; I250-F308 HydrophobicContact CD1-CE1 4.47Å; G305-F308 WeakPolarHBondContact O-CB 3.4Å; G305-F308 PolarHBondContact O-N 2.86Å; F308-S310 VanDerWaalsContact C-N 3.28Å; F308-S310 PolarHBondContact O-N 3.46Å; F308-I311 PolarHBondContact O-N 3.41Å; F308-F312 WeakPolarHBondContact O-CB 3.37Å; F308-F312 PolarHBondContact O-N 2.87Å
309L93.6Very high90.4Very high0 Ų029 Ų290%014%0.135CC..Hα-helixtrans-58.3-41.3177-174.861.2000111.7V246 I250 G305 T306 V307 F312 M313 V603 P607V246-L309 HydrophobicContact CG1-CD1 4.02Å; I250-L309 HydrophobicContact CD1-CB 3.69Å; I250-L309 HydrophobicContact CD1-CD1 4.03Å; I250-L309 HydrophobicContact CD1-CG 4.29Å; G305-L309 WeakPolarHBondContact O-CB 3.46Å; G305-L309 PolarHBondContact O-N 2.76Å; T306-L309 PolarHBondContact O-N 3.16Å; V307-L309 VanDerWaalsContact C-N 3.35Å; V307-L309 PolarHBondContact O-N 2.89Å; L309-F312 HydrophobicContact CD1-CD1 4.29Å; L309-F312 PolarHBondContact O-N 2.91Å; L309-M313 HydrophobicContact CD1-CG 3.85Å; L309-M313 HydrophobicContact CG-CG 4.06Å; L309-M313 VanDerWaalsContact O-CB 3.26Å; L309-M313 WeakPolarHBondContact O-CB 3.38Å; L309-M313 WeakPolarHBondContact O-CG 3.35Å; L309-M313 PolarHBondContact O-N 2.84Å; L309-V603 HydrophobicContact CD2-CG2 4.17Å; L309-V603 HydrophobicContact CG-CG2 4.3Å; L309-P607 HydrophobicContact CD2-CB 3.61Å; L309-P607 HydrophobicContact CD2-CG 4.1Å
310S92.9Very high90.8Very high0 Ų028.3 Ų28.30%013%0.132CC..Hα-helixtrans-65.8-39.4-179-59.40000112.1T306 V307 F308 S314 A604T306-S310 WeakPolarHBondContact O-CB 3.4Å; T306-S310 PolarHBondContact O-N 3.04Å; T306-S310 PolarHBondContact O-OG 3.47Å; V307-S310 PolarHBondContact O-N 3.31Å; F308-S310 VanDerWaalsContact C-N 3.28Å; F308-S310 PolarHBondContact O-N 3.46Å; S310-S314 WeakPolarHBondContact O-CB 3.49Å; S310-S314 PolarHBondContact O-N 3.27Å; S310-S314 PolarHBondContact O-OG 3.21Å; S310-A604 WeakPolarHBondContact OG-CB 3.48Å
311I92.6Very high91.2Very high61 Ų6127.6 Ų27.631%0.31313%0.128SC..Hα-helixtrans-65.4-50.1172.6-62.5172.4000109.7V307 F308 M313 S314 L315 F739V307-I311 PolarHBondContact O-N 2.97Å; F308-I311 PolarHBondContact O-N 3.41Å; I311-M313 VanDerWaalsContact C-N 3.32Å; I311-M313 PolarHBondContact O-N 2.81Å; I311-S314 PolarHBondContact O-N 3.01Å; I311-L315 HydrophobicContact CG2-CD1 4.2Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 3.11Å; I311-F739 HydrophobicContact CD1-CE2 4.16Å; I311-F739 HydrophobicContact CG1-CD2 4.28Å; I311-F739 HydrophobicContact CG1-CE2 3.45Å; I311-F739 VanDerWaalsContact CG1-CE2 3.45Å; I311-F739 HydrophobicContact CG1-CZ 3.96Å
312F94.6Very high91.7Very high55 Ų5526.7 Ų26.724%0.24112%0.124CC..Hα-helixtrans-55.6-46.5178.6170.9-92.3000111.8A243 V246 F308 L309 L315 W316A243-F312 HydrophobicContact CB-CE1 4.37Å; V246-F312 HydrophobicContact CB-CD1 4.46Å; V246-F312 HydrophobicContact CB-CE1 4.2Å; V246-F312 HydrophobicContact CB-CZ 4.46Å; V246-F312 HydrophobicContact CG1-CD1 4.16Å; V246-F312 HydrophobicContact CG1-CE1 4.39Å; V246-F312 HydrophobicContact CG1-CG 4.4Å; V246-F312 HydrophobicContact CG2-CE1 4.27Å; V246-F312 HydrophobicContact CG2-CE2 4.32Å; V246-F312 HydrophobicContact CG2-CZ 4.03Å; F308-F312 WeakPolarHBondContact O-CB 3.37Å; F308-F312 PolarHBondContact O-N 2.87Å; L309-F312 HydrophobicContact CD1-CD1 4.29Å; L309-F312 PolarHBondContact O-N 2.91Å; F312-L315 PolarHBondContact O-N 3.39Å; F312-W316 HydrophobicContact CE1-CB 4.29Å; F312-W316 WeakPolarHBondContact O-CB 3.4Å; F312-W316 PolarHBondContact O-N 3.2Å
313M94.9Very high92Very high2 Ų230.2 Ų30.21%0.0114%0.137CC..Hα-helixtrans-69.8-32.7-178.5-73.8-65.1-56.400112.9A243 L309 I311 W316 A317 V603 P610A243-M313 HydrophobicContact CB-CE 4.2Å; A243-M313 HydrophobicContact CB-SD 3.6Å; L309-M313 HydrophobicContact CD1-CG 3.85Å; L309-M313 HydrophobicContact CG-CG 4.06Å; L309-M313 VanDerWaalsContact O-CB 3.26Å; L309-M313 WeakPolarHBondContact O-CB 3.38Å; L309-M313 WeakPolarHBondContact O-CG 3.35Å; L309-M313 PolarHBondContact O-N 2.84Å; I311-M313 VanDerWaalsContact C-N 3.32Å; I311-M313 PolarHBondContact O-N 2.81Å; M313-W316 HydrophobicContact CE-CD2 4.24Å; M313-W316 HydrophobicContact CE-CE3 3.64Å; M313-W316 HydrophobicContact CE-CZ3 3.91Å; M313-W316 PolarHBondContact O-N 3.15Å; M313-W316 HydrophobicContact SD-CD2 4.48Å; M313-W316 HydrophobicContact SD-CE3 4.39Å; M313-A317 WeakPolarHBondContact O-CB 3.31Å; M313-A317 PolarHBondContact O-N 3.45Å; M313-V603 HydrophobicContact CB-CG1 3.9Å; M313-V603 HydrophobicContact CB-CG2 4.32Å; M313-V603 HydrophobicContact CE-CG2 4.38Å; M313-V603 HydrophobicContact CG-CB 4.44Å; M313-V603 HydrophobicContact CG-CG1 4.17Å; M313-V603 HydrophobicContact CG-CG2 3.73Å; M313-P610 HydrophobicContact CE-CG 4.09Å; M313-P610 HydrophobicContact SD-CG 4.29Å
314S92.5Very high92.5Very high3 Ų329.6 Ų29.62%0.02113%0.133CC..Hα-helixtrans-66-43.4173.4-58.90000111.3S310 I311 A317 V318S310-S314 WeakPolarHBondContact O-CB 3.49Å; S310-S314 PolarHBondContact O-N 3.27Å; S310-S314 PolarHBondContact O-OG 3.21Å; I311-S314 PolarHBondContact O-N 3.01Å; S314-A317 PolarHBondContact O-N 2.99Å; S314-V318 PolarHBondContact O-N 3.31Å
315L91.8Very high92.7Very high41 Ų4125 Ų2522%0.21512%0.118CC..Hα-helixtrans-69.7-38.4175.2-63.4179.2000112.2I311 F312 A317 V318 T319 I746 I750I311-L315 HydrophobicContact CG2-CD1 4.2Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 3.11Å; F312-L315 PolarHBondContact O-N 3.39Å; L315-A317 VanDerWaalsContact C-N 3.34Å; L315-A317 PolarHBondContact O-N 3.17Å; L315-V318 PolarHBondContact O-N 2.68Å; L315-T319 WeakPolarHBondContact O-CB 3.4Å; L315-T319 WeakPolarHBondContact O-CG2 3.44Å; L315-T319 PolarHBondContact O-N 3.11Å; L315-T319 PolarHBondContact O-OG1 3.12Å; L315-I746 HydrophobicContact CD1-CG2 4.33Å; L315-I746 HydrophobicContact CD2-CB 3.85Å; L315-I746 HydrophobicContact CD2-CG2 3.38Å; L315-I746 HydrophobicContact CG-CG2 4.5Å; L315-I750 HydrophobicContact CD2-CD1 4.21Å
316W95.5Very high92.8Very high8 Ų829 Ų293%0.0313%0.131CC..Hα-helixtrans-59.9-43.3174.5171.988.8000111.5Y236 W239 L240 A243 F312 M313 V318 T319 F320 F596 I599 T600Y236-W316 HydrophobicContact CE2-CH2 4.1Å; W239-W316 HydrophobicContact CB-CZ2 4.18Å; W239-W316 AromaticContact CE3-NE1 3.88Å; W239-W316 PolarHBondContact O-NE1 3.41Å; L240-W316 HydrophobicContact CD2-CH2 3.93Å; L240-W316 HydrophobicContact CD2-CZ2 3.97Å; L240-W316 HydrophobicContact CG-CZ2 4.37Å; A243-W316 HydrophobicContact CB-CD2 4.42Å; F312-W316 HydrophobicContact CE1-CB 4.29Å; F312-W316 WeakPolarHBondContact O-CB 3.4Å; F312-W316 PolarHBondContact O-N 3.2Å; M313-W316 HydrophobicContact CE-CD2 4.24Å; M313-W316 HydrophobicContact CE-CE3 3.64Å; M313-W316 HydrophobicContact CE-CZ3 3.91Å; M313-W316 PolarHBondContact O-N 3.15Å; M313-W316 HydrophobicContact SD-CD2 4.48Å; M313-W316 HydrophobicContact SD-CE3 4.39Å; W316-V318 PolarHBondContact O-N 3.22Å; W316-T319 WeakPolarHBondContact CA-OG1 3.09Å; W316-T319 PolarHBondContact O-N 3.29Å; W316-T319 PolarHBondContact O-OG1 3.22Å; W316-F320 WeakPolarHBondContact O-CB 3.16Å; W316-F320 PolarHBondContact O-N 3.09Å; W316-F596 HydrophobicContact CH2-CD2 4.37Å; W316-F596 HydrophobicContact CH2-CE2 4Å; W316-F596 HydrophobicContact CZ3-CD2 4.35Å; W316-F596 AromaticContact CZ3-CE2 3.71Å; W316-F596 HydrophobicContact CZ3-CE2 3.71Å; W316-I599 HydrophobicContact CH2-CD1 4Å; W316-I599 HydrophobicContact CZ3-CD1 4.16Å; W316-T600 HydrophobicContact CZ3-CG2 4.12Å
317A94.5Very high93Very high0 Ų030.8 Ų30.80%014%0.142CC..Hα-helixtrans-63.8-43.5-18000000112M313 S314 L315 L321 F596 T600M313-A317 WeakPolarHBondContact O-CB 3.31Å; M313-A317 PolarHBondContact O-N 3.45Å; S314-A317 PolarHBondContact O-N 2.99Å; L315-A317 VanDerWaalsContact C-N 3.34Å; L315-A317 PolarHBondContact O-N 3.17Å; A317-L321 WeakPolarHBondContact O-CG 3.39Å; A317-L321 PolarHBondContact O-N 3.09Å; A317-F596 HydrophobicContact CB-CZ 4Å; A317-T600 HydrophobicContact CB-CG2 4.06Å
318V91.7Very high93.1Very high3 Ų330.4 Ų30.42%0.01814%0.14CC..Hα-helixtrans-62.8-54175.2165.80000111.2S314 L315 W316 F320 L321 E322 H747 I750S314-V318 PolarHBondContact O-N 3.31Å; L315-V318 PolarHBondContact O-N 2.68Å; W316-V318 PolarHBondContact O-N 3.22Å; V318-F320 VanDerWaalsContact C-N 3.28Å; V318-F320 PolarHBondContact O-N 2.79Å; V318-L321 PolarHBondContact O-N 3.45Å; V318-E322 PolarHBondContact O-N 3.4Å; V318-H747 HydrophobicContact CG1-CB 4.34Å; V318-H747 WeakPolarHBondContact CG1-CD2 3.45Å; V318-H747 HydrophobicContact CG2-CB 4.13Å; V318-I750 HydrophobicContact CG1-CB 4.43Å; V318-I750 HydrophobicContact CG1-CD1 4.28Å; V318-I750 HydrophobicContact CG1-CG2 4.24Å
319T92.4Very high93Very high30 Ų3026.5 Ų26.518%0.18413%0.127CC..Hα-helixtrans-60.3-39.6-179.448.80000111.7L315 W316 L321 E322 Y323 I750L315-T319 WeakPolarHBondContact O-CB 3.4Å; L315-T319 WeakPolarHBondContact O-CG2 3.44Å; L315-T319 PolarHBondContact O-N 3.11Å; L315-T319 PolarHBondContact O-OG1 3.12Å; W316-T319 WeakPolarHBondContact CA-OG1 3.09Å; W316-T319 PolarHBondContact O-N 3.29Å; W316-T319 PolarHBondContact O-OG1 3.22Å; T319-L321 VanDerWaalsContact C-N 3.33Å; T319-L321 PolarHBondContact O-N 2.78Å; T319-E322 PolarHBondContact O-N 2.89Å; T319-Y323 WeakPolarHBondContact O-CB 3.45Å; T319-Y323 VanDerWaalsContact O-CD2 3.27Å; T319-Y323 WeakPolarHBondContact O-CD2 3.4Å; T319-Y323 PolarHBondContact O-N 2.83Å; T319-I750 HydrophobicContact CG2-CD1 3.87Å; T319-I750 HydrophobicContact CG2-CG1 4.49Å; T319-I750 HydrophobicContact CG2-CG2 4.02Å
320F94.7Very high92.9Very high0 Ų031.2 Ų31.20%015%0.146CC..Hα-helixtrans-55.4-46.4172.8162.7-105.2000112.2F235 Y236 W239 W316 V318 W324 F596F235-F320 AromaticContact CD1-CD2 3.96Å; F235-F320 HydrophobicContact CD1-CD2 3.96Å; F235-F320 AromaticContact CD1-CE2 3.51Å; F235-F320 HydrophobicContact CD1-CE2 3.51Å; F235-F320 HydrophobicContact CD1-CZ 4.48Å; F235-F320 AromaticContact CE1-CD2 3.54Å; F235-F320 HydrophobicContact CE1-CD2 3.54Å; F235-F320 AromaticContact CE1-CE2 3.56Å; F235-F320 HydrophobicContact CE1-CE2 3.56Å; Y236-F320 HydrophobicContact CD2-CE2 4.03Å; Y236-F320 AromaticContact CD2-CZ 3.9Å; Y236-F320 HydrophobicContact CD2-CZ 3.9Å; Y236-F320 HydrophobicContact CG-CE2 4.46Å; Y236-F320 HydrophobicContact CG-CZ 4.28Å; W239-F320 HydrophobicContact CB-CD2 3.8Å; W239-F320 HydrophobicContact CB-CE2 4.44Å; W239-F320 HydrophobicContact CD2-CB 4.33Å; W239-F320 HydrophobicContact CD2-CD2 4.27Å; W239-F320 HydrophobicContact CE3-CB 3.96Å; W239-F320 AromaticContact CG-CD2 3.87Å; W239-F320 HydrophobicContact CG-CD2 3.87Å; W239-F320 HydrophobicContact CZ3-CB 4.44Å; W316-F320 WeakPolarHBondContact O-CB 3.16Å; W316-F320 PolarHBondContact O-N 3.09Å; V318-F320 VanDerWaalsContact C-N 3.28Å; V318-F320 PolarHBondContact O-N 2.79Å; F320-W324 WeakPolarHBondContact O-CB 3.45Å; F320-W324 PolarHBondContact O-N 3.03Å; F320-F596 AromaticContact CD1-CE2 3.78Å; F320-F596 HydrophobicContact CD1-CE2 3.78Å; F320-F596 HydrophobicContact CD1-CZ 4.26Å; F320-F596 HydrophobicContact CE1-CD2 4.31Å; F320-F596 AromaticContact CE1-CE2 3.85Å; F320-F596 HydrophobicContact CE1-CE2 3.85Å; F320-F596 HydrophobicContact CE1-CZ 4.46Å
321L93.9Very high92.8Very high5 Ų531.6 Ų31.63%0.02615%0.148CC..Hα-helixtrans-68.7-43.2-178.7-67.9172.6000112.6A317 V318 T319 W324 K325 F647 L650 Q651A317-L321 WeakPolarHBondContact O-CG 3.39Å; A317-L321 PolarHBondContact O-N 3.09Å; V318-L321 PolarHBondContact O-N 3.45Å; T319-L321 VanDerWaalsContact C-N 3.33Å; T319-L321 PolarHBondContact O-N 2.78Å; L321-W324 PolarHBondContact O-N 3.18Å; L321-K325 WeakPolarHBondContact O-CB 3.39Å; L321-K325 PolarHBondContact O-N 2.8Å; L321-F647 HydrophobicContact CB-CE2 4.21Å; L321-F647 HydrophobicContact CD2-CD2 4.48Å; L321-F647 HydrophobicContact CD2-CE2 4.31Å; L321-L650 HydrophobicContact CD1-CB 4.36Å; L321-L650 HydrophobicContact CD2-CB 3.58Å; L321-L650 HydrophobicContact CD2-CD1 4.03Å; L321-L650 HydrophobicContact CD2-CG 4.4Å; L321-Q651 HydrophobicContact CD1-CG 4.01Å
322E92.1Very high92.7Very high10 Ų1029.3 Ų29.35%0.04714%0.137CC..Hα-helixtrans-65.6-42.1178.6-67.2-50.8130.400111.9V318 T319 W324 K325 R326V318-E322 PolarHBondContact O-N 3.4Å; T319-E322 PolarHBondContact O-N 2.89Å; E322-W324 VanDerWaalsContact C-N 3.34Å; E322-W324 PolarHBondContact O-N 3.35Å; E322-K325 WeakPolarHBondContact O-CB 3.5Å; E322-K325 PolarHBondContact O-N 2.91Å; E322-R326 PolarHBondContact O-N 3.38Å; E322-R326 VanDerWaalsContact O-N 3.08Å
323Y92.6Very high92.4Very high96 Ų9627.3 Ų27.338%0.37613%0.129SC..Hα-helixtrans-69.6-31174.3-84.5-95000112.8W239 T319 T327 V754W239-Y323 AromaticContact CH2-CD2 3.72Å; W239-Y323 HydrophobicContact CH2-CD2 3.72Å; W239-Y323 HydrophobicContact CH2-CE2 4.24Å; W239-Y323 AromaticContact CH2-CG 3.99Å; W239-Y323 HydrophobicContact CH2-CG 3.99Å; W239-Y323 HydrophobicContact CZ2-CD1 4.15Å; W239-Y323 AromaticContact CZ2-CD2 3.86Å; W239-Y323 HydrophobicContact CZ2-CD2 3.86Å; W239-Y323 AromaticContact CZ2-CG 3.61Å; W239-Y323 HydrophobicContact CZ2-CG 3.61Å; T319-Y323 WeakPolarHBondContact O-CB 3.45Å; T319-Y323 VanDerWaalsContact O-CD2 3.27Å; T319-Y323 WeakPolarHBondContact O-CD2 3.4Å; T319-Y323 PolarHBondContact O-N 2.83Å; Y323-T327 WeakPolarHBondContact O-CB 3.34Å; Y323-T327 PolarHBondContact O-N 2.93Å; Y323-T327 PolarHBondContact O-OG1 3.14Å; Y323-V754 HydrophobicContact CE2-CG2 4.38Å
324W94.6Very high92Very high2 Ų229 Ų291%0.00814%0.135CC..Hα-helixtrans-65.1-46.6171.5174.6-111000111L228 A231 W232 F235 F320 L321 E322 R326 T327 C328 I643L228-W324 HydrophobicContact CD1-CH2 4.28Å; L228-W324 HydrophobicContact CD1-CZ2 4.3Å; L228-W324 HydrophobicContact CG-CZ2 4.5Å; A231-W324 HydrophobicContact CB-CH2 4.28Å; W232-W324 VanDerWaalsContact CA-CZ3 3.45Å; W232-W324 HydrophobicContact CB-CH2 3.46Å; W232-W324 VanDerWaalsContact CB-CH2 3.46Å; W232-W324 HydrophobicContact CB-CZ2 3.61Å; W232-W324 HydrophobicContact CB-CZ3 4.02Å; W232-W324 AromaticContact CD1-CD2 3.6Å; W232-W324 AromaticContact CD1-CE2 3.39Å; W232-W324 AromaticContact CD1-CZ2 3.65Å; W232-W324 AromaticContact CD1-NE1 3.71Å; W232-W324 HydrophobicContact CG-CH2 4.2Å; W232-W324 HydrophobicContact CG-CZ2 4Å; F235-W324 HydrophobicContact CB-CE3 3.93Å; F235-W324 HydrophobicContact CB-CZ3 3.91Å; F235-W324 HydrophobicContact CD1-CB 4.14Å; F235-W324 HydrophobicContact CD1-CD2 4.36Å; F235-W324 AromaticContact CD1-CE3 3.59Å; F235-W324 HydrophobicContact CD1-CE3 3.59Å; F235-W324 HydrophobicContact CD1-CZ3 4.42Å; F235-W324 HydrophobicContact CD2-CE3 4.38Å; F235-W324 HydrophobicContact CE1-CB 3.68Å; F235-W324 HydrophobicContact CE1-CE3 4.18Å; F235-W324 AromaticContact CG-CE3 3.72Å; F235-W324 HydrophobicContact CG-CE3 3.72Å; F235-W324 HydrophobicContact CG-CZ3 4.17Å; F235-W324 HydrophobicContact CZ-CB 4.32Å; F320-W324 WeakPolarHBondContact O-CB 3.45Å; F320-W324 PolarHBondContact O-N 3.03Å; L321-W324 PolarHBondContact O-N 3.18Å; E322-W324 VanDerWaalsContact C-N 3.34Å; E322-W324 PolarHBondContact O-N 3.35Å; W324-R326 VanDerWaalsContact C-N 3.28Å; W324-R326 PolarHBondContact O-N 3.46Å; W324-T327 HydrophobicContact CZ3-CG2 4.35Å; W324-T327 CarbonylContact O-C 3.51Å; W324-T327 PolarHBondContact O-N 2.87Å; W324-T327 VanDerWaalsContact O-N 3.08Å; W324-C328 HydrophobicContact CZ2-CB 4.24Å; W324-C328 WeakPolarHBondContact O-CB 3.32Å; W324-C328 PolarHBondContact O-N 3.38Å; W324-I643 HydrophobicContact CZ2-CG2 3.71Å
325K92.5Very high91.8Very high69 Ų6929 Ų2930%0.313%0.134SC..Hα-helixtrans-55.1-46177.6-172.3-179.1178.1-167.10111.2L321 E322 C328 S329 F647 D756L321-K325 WeakPolarHBondContact O-CB 3.39Å; L321-K325 PolarHBondContact O-N 2.8Å; E322-K325 WeakPolarHBondContact O-CB 3.5Å; E322-K325 PolarHBondContact O-N 2.91Å; K325-C328 PolarHBondContact O-N 2.91Å; K325-S329 PolarHBondContact O-N 3.48Å; K325-F647 HydrophobicContact CB-CE2 4.09Å; K325-F647 HydrophobicContact CB-CZ 4.02Å; K325-F647 HydrophobicContact CD-CE1 4.39Å; K325-F647 HydrophobicContact CD-CZ 3.96Å; K325-F647 HydrophobicContact CG-CZ 4.22Å; K325-D756 HydrophobicContact CD-CB 4.49Å; K325-D756 WeakPolarHBondContact CD-OD1 3.32Å; K325-D756 VanDerWaalsContact CE-OD1 3.29Å; K325-D756 WeakPolarHBondContact CE-OD1 3.32Å; K325-D756 WeakPolarHBondContact CE-OD2 3.48Å; K325-D756 IonicContact NZ-OD1 2.73Å; K325-D756 PolarHBondContact NZ-OD1 3.28Å; K325-D756 IonicContact NZ-OD2 2.69Å; K325-D756 PolarHBondContact NZ-OD2 3.24Å
326R92.1Very high91.6Very high87 Ų8728.6 Ų28.633%0.32813%0.132SC..Hα-helixtrans-61.6-44.2174.3-173.8-179.1159.5163.21.4113.3E322 W324 S329 Y330 D756 P758E322-R326 PolarHBondContact O-N 3.38Å; E322-R326 VanDerWaalsContact O-N 3.08Å; W324-R326 VanDerWaalsContact C-N 3.28Å; W324-R326 PolarHBondContact O-N 3.46Å; R326-S329 PolarHBondContact O-N 3.07Å; R326-Y330 PolarHBondContact O-N 3.5Å; R326-Y330 VanDerWaalsContact O-N 3.11Å; R326-D756 VanDerWaalsContact CA-O 3.25Å; R326-D756 WeakPolarHBondContact CA-O 3.39Å; R326-P758 HydrophobicContact CG-CB 4.27Å; R326-P758 HydrophobicContact CG-CG 4.18Å
327T91.1Very high91.3Very high42 Ų4228.2 Ų28.226%0.25813%0.131SC..Hα-helixtrans-66.5-39.3177.7-56.40000111.4Y323 W324 Y330 L331Y323-T327 WeakPolarHBondContact O-CB 3.34Å; Y323-T327 PolarHBondContact O-N 2.93Å; Y323-T327 PolarHBondContact O-OG1 3.14Å; W324-T327 HydrophobicContact CZ3-CG2 4.35Å; W324-T327 CarbonylContact O-C 3.51Å; W324-T327 PolarHBondContact O-N 2.87Å; W324-T327 VanDerWaalsContact O-N 3.08Å; T327-Y330 WeakPolarHBondContact O-CB 3.4Å; T327-Y330 PolarHBondContact O-N 3.44Å; T327-L331 HydrophobicContact CG2-CD1 4.12Å; T327-L331 HydrophobicContact CG2-CG 4.44Å; T327-L331 WeakPolarHBondContact O-CG 3.49Å; T327-L331 PolarHBondContact O-N 2.85Å
328C92.8Very high90.7Very high10 Ų1029.5 Ų29.57%0.06814%0.139CC..Hα-helixtrans-65.3-43.3178-165.30000110.9W324 K325 Y330 L331 S332W324-C328 HydrophobicContact CZ2-CB 4.24Å; W324-C328 WeakPolarHBondContact O-CB 3.32Å; W324-C328 PolarHBondContact O-N 3.38Å; K325-C328 PolarHBondContact O-N 2.91Å; C328-Y330 VanDerWaalsContact C-N 3.34Å; C328-Y330 PolarHBondContact O-N 2.9Å; C328-L331 PolarHBondContact O-N 3.45Å; C328-S332 WeakPolarHBondContact O-CB 3.34Å; C328-S332 PolarHBondContact O-N 2.98Å
329S90.5Very high90.1Very high33 Ų3332.9 Ų32.923%0.23116%0.157CC..Hα-helixtrans-60-44.6174.5-179.50000111.5K325 R326 S332 H333K325-S329 PolarHBondContact O-N 3.48Å; R326-S329 PolarHBondContact O-N 3.07Å; S329-S332 PolarHBondContact O-N 3.47Å; S329-H333 WeakPolarHBondContact O-CB 3.48Å; S329-H333 PolarHBondContact O-N 2.89Å
330Y90.9Very high89.6Confident98 Ų9832.2 Ų32.238%0.38415%0.152SC..Hα-helixtrans-58.9-49.1174.5172.6-95.1000112.6R326 T327 C328 R334 V761R326-Y330 PolarHBondContact O-N 3.5Å; R326-Y330 VanDerWaalsContact O-N 3.11Å; T327-Y330 WeakPolarHBondContact O-CB 3.4Å; T327-Y330 PolarHBondContact O-N 3.44Å; C328-Y330 VanDerWaalsContact C-N 3.34Å; C328-Y330 PolarHBondContact O-N 2.9Å; Y330-R334 VanDerWaalsContact O-CB 3.27Å; Y330-R334 WeakPolarHBondContact O-CB 3.36Å; Y330-R334 PolarHBondContact O-N 3.32Å; Y330-V761 HydrophobicContact CD2-CG2 3.52Å; Y330-V761 HydrophobicContact CE2-CG2 4.32Å; Y330-V761 HydrophobicContact CG-CG2 4.37Å
331L91.3Very high88.7Confident9 Ų935 Ų355%0.04717%0.165CC..Hα-helixtrans-66.6-43.3-179.9-70.4174.3000112L228 A231 T327 C328 H333 R334 W335L228-L331 HydrophobicContact CD1-CD1 4.32Å; A231-L331 HydrophobicContact CB-CD1 3.7Å; T327-L331 HydrophobicContact CG2-CD1 4.12Å; T327-L331 HydrophobicContact CG2-CG 4.44Å; T327-L331 WeakPolarHBondContact O-CG 3.49Å; T327-L331 PolarHBondContact O-N 2.85Å; C328-L331 PolarHBondContact O-N 3.45Å; L331-H333 VanDerWaalsContact C-N 3.32Å; L331-H333 PolarHBondContact O-N 3.23Å; L331-R334 PolarHBondContact O-N 3.04Å; L331-W335 HydrophobicContact CB-CD2 4.42Å; L331-W335 HydrophobicContact CB-CE3 4.3Å; L331-W335 HydrophobicContact CB-CH2 4.47Å; L331-W335 HydrophobicContact CB-CZ3 4.32Å; L331-W335 HydrophobicContact CD1-CH2 4.24Å; L331-W335 HydrophobicContact CD2-CH2 4.29Å; L331-W335 HydrophobicContact CD2-CZ2 3.86Å; L331-W335 WeakPolarHBondContact O-CB 3.38Å; L331-W335 PolarHBondContact O-N 3.41Å
332S90.9Very high87.7Confident13 Ų1341.5 Ų41.59%0.09120%0.2CC..Hα-helixtrans-59.3-43.2178.2-176.20000111.7C328 S329 W335 D336 C337 Q641C328-S332 WeakPolarHBondContact O-CB 3.34Å; C328-S332 PolarHBondContact O-N 2.98Å; S329-S332 PolarHBondContact O-N 3.47Å; S332-W335 CarbonylContact O-C 3.51Å; S332-W335 PolarHBondContact O-N 2.93Å; S332-D336 PolarHBondContact O-N 3.33Å; S332-C337 PolarHBondContact O-N 3.06Å; S332-Q641 VanDerWaalsContact CB-O 3.23Å; S332-Q641 WeakPolarHBondContact CB-O 3.42Å; S332-Q641 PolarHBondContact OG-O 2.82Å; S332-Q641 VanDerWaalsContact OG-O 3.11Å
333H87.8Confident86.7Confident13 Ų1346.6 Ų46.66%0.0623%0.226CC..Hα-helixtrans-67.4-48.5174.2-176.765.6000112.5S329 L331 W335 D336 T338 V761 M765 E768S329-H333 WeakPolarHBondContact O-CB 3.48Å; S329-H333 PolarHBondContact O-N 2.89Å; L331-H333 VanDerWaalsContact C-N 3.32Å; L331-H333 PolarHBondContact O-N 3.23Å; H333-W335 PolarHBondContact O-N 2.77Å; H333-D336 PolarHBondContact O-N 3.07Å; H333-D336 VanDerWaalsContact O-N 3.08Å; H333-T338 VanDerWaalsContact CA-OG1 3.27Å; H333-T338 WeakPolarHBondContact CA-OG1 3.49Å; H333-V761 HydrophobicContact CB-CG1 3.86Å; H333-M765 WeakPolarHBondContact CE1-CG 3.34Å; H333-E768 IonicContact CE1-OE2 3.47Å; H333-E768 PolarHBondContact CE1-OE2 2.76Å; H333-E768 IonicContact NE2-OE1 3.73Å; H333-E768 IonicContact NE2-OE2 2.63Å
334R86.4Confident85.8Confident36 Ų3643 Ų4314%0.13621%0.213CC..Hα-helixtrans-59.6-27.8176.6-174175.6-176.8-127-7.8112.5E109 D216 Y330 L331E109-R334 IonicContact OE1-CZ 2.93Å; E109-R334 IonicContact OE1-NE 3.28Å; E109-R334 PolarHBondContact OE1-NE 3.22Å; E109-R334 IonicContact OE1-NH2 3.48Å; E109-R334 PolarHBondContact OE1-NH2 2.97Å; D216-R334 IonicContact OD1-CZ 2.71Å; D216-R334 IonicContact OD1-NH1 2.88Å; D216-R334 PolarHBondContact OD1-NH1 2.97Å; D216-R334 IonicContact OD1-NH2 2.94Å; D216-R334 IonicContact OD2-CZ 2.69Å; D216-R334 IonicContact OD2-NH1 3.18Å; D216-R334 PolarHBondContact OD2-NH1 3.24Å; D216-R334 IonicContact OD2-NH2 2.7Å; D216-R334 PolarHBondContact OD2-NH2 3.12Å; Y330-R334 VanDerWaalsContact O-CB 3.27Å; Y330-R334 WeakPolarHBondContact O-CB 3.36Å; Y330-R334 PolarHBondContact O-N 3.32Å; L331-R334 PolarHBondContact O-N 3.04Å
335W88.9Confident85.2Confident3 Ų345.1 Ų45.11%0.01122%0.223CC..THydrogen-bonded Turntrans-9913.6179.8-61-12.8000114.5L215 R219 E224 A227 L228 A231 L331 S332 H333 C337L215-W335 HydrophobicContact CB-CZ2 4.4Å; R219-W335 VanDerWaalsContact CD-CD1 3.41Å; R219-W335 VanDerWaalsContact CD-CG 3.48Å; R219-W335 VanDerWaalsContact CZ-CB 3.48Å; R219-W335 PolarHBondContact NH2-O 3.49Å; E224-W335 HydrophobicContact CB-CE3 4.37Å; E224-W335 HydrophobicContact CG-CB 4.05Å; E224-W335 HydrophobicContact CG-CE3 4.35Å; A227-W335 HydrophobicContact CB-CH2 3.65Å; A227-W335 HydrophobicContact CB-CZ2 4.18Å; A227-W335 HydrophobicContact CB-CZ3 3.99Å; L228-W335 HydrophobicContact CB-CZ3 3.99Å; L228-W335 HydrophobicContact CD1-CZ3 3.85Å; A231-W335 HydrophobicContact CB-CH2 4.39Å; L331-W335 HydrophobicContact CB-CD2 4.42Å; L331-W335 HydrophobicContact CB-CE3 4.3Å; L331-W335 HydrophobicContact CB-CH2 4.47Å; L331-W335 HydrophobicContact CB-CZ3 4.32Å; L331-W335 HydrophobicContact CD1-CH2 4.24Å; L331-W335 HydrophobicContact CD2-CH2 4.29Å; L331-W335 HydrophobicContact CD2-CZ2 3.86Å; L331-W335 WeakPolarHBondContact O-CB 3.38Å; L331-W335 PolarHBondContact O-N 3.41Å; S332-W335 CarbonylContact O-C 3.51Å; S332-W335 PolarHBondContact O-N 2.93Å; H333-W335 PolarHBondContact O-N 2.77Å; W335-C337 PolarHBondContact O-N 3.18Å; W335-C337 VanDerWaalsContact O-N 3.1Å; W335-C337 PolarHBondContact O-SG 3.14Å
336D87.5Confident84.7Confident33 Ų3345.5 Ų45.518%0.17622%0.222CC..THydrogen-bonded Turntrans56.226.9175.6-59.9-59.8000114R72 T112 S332 H333R72-D336 IonicContact NH1-OD1 3.5Å; T112-D336 WeakPolarHBondContact CG2-OD2 3.45Å; T112-D336 PolarHBondContact OG1-OD1 2.94Å; T112-D336 PolarHBondContact OG1-OD2 3.47Å; S332-D336 PolarHBondContact O-N 3.33Å; H333-D336 PolarHBondContact O-N 3.07Å; H333-D336 VanDerWaalsContact O-N 3.08Å
337C87.6Confident84.4Confident1 Ų142.6 Ų42.61%0.00722%0.215CC..  trans-1048.2-179.4-69.40000112.7S332 W335 L340 A640 Q641S332-C337 PolarHBondContact O-N 3.06Å; W335-C337 PolarHBondContact O-N 3.18Å; W335-C337 VanDerWaalsContact O-N 3.1Å; W335-C337 PolarHBondContact O-SG 3.14Å; C337-L340 WeakPolarHBondContact O-CB 3.49Å; C337-L340 PolarHBondContact O-N 2.86Å; C337-A640 WeakPolarHBondContact CB-O 3.45Å; C337-Q641 WeakPolarHBondContact O-CB 3.3Å
338T82Confident84.3Confident26 Ų2642.1 Ų42.116%0.1621%0.209CC..THydrogen-bonded Turntrans-63.8136.2171.6-38.30000110.5R72 H333 L340 M765R72-T338 PolarHBondContact NH2-O 3.2Å; H333-T338 VanDerWaalsContact CA-OG1 3.27Å; H333-T338 WeakPolarHBondContact CA-OG1 3.49Å; T338-L340 PolarHBondContact O-N 3.36Å; T338-M765 HydrophobicContact CG2-CE 4.24Å
339D79.7Confident83.8Confident74 Ų7443.7 Ų43.740%0.39622%0.218SC..THydrogen-bonded Turntrans64.118179.5-44.4-44.2000115E341 I343D339-E341 PolarHBondContact O-N 3.38Å; D339-I343 HydrophobicContact CB-CD1 3.78Å; D339-I343 HydrophobicContact CB-CG1 4.2Å; D339-I343 PolarHBondContact O-N 3.39Å; D339-I343 VanDerWaalsContact O-N 3.16Å
340L81.1Confident83.3Confident17 Ų1745.3 Ų45.39%0.08922%0.223CC..Iπ-helixtrans-59.6-46.1-179.7-179.275.1000111.5C337 T338 E344 E345 R639 Q641C337-L340 WeakPolarHBondContact O-CB 3.49Å; C337-L340 PolarHBondContact O-N 2.86Å; T338-L340 PolarHBondContact O-N 3.36Å; L340-E344 HydrophobicContact CD1-CB 4.05Å; L340-E344 CarbonylContact O-C 3.48Å; L340-E344 WeakPolarHBondContact O-CA 3.48Å; L340-E344 WeakPolarHBondContact O-CB 3.34Å; L340-E344 PolarHBondContact O-N 2.82Å; L340-E344 VanDerWaalsContact O-N 3.09Å; L340-E345 PolarHBondContact O-N 2.87Å; L340-R639 HydrophobicContact CD1-CB 4.18Å; L340-R639 HydrophobicContact CD2-CB 3.64Å; L340-Q641 HydrophobicContact CB-CB 4.41Å
341E76.9Confident83.1Confident59 Ų5940.8 Ų40.828%0.27621%0.205SC..Iπ-helixtrans-71.2-37.2-176.4-73.3179-157.700113.3D339 T463 Q641D339-E341 PolarHBondContact O-N 3.38Å; E341-T463 HydrophobicContact CG-CG2 4.45Å; E341-Q641 VanDerWaalsContact CD-CD 3.44Å; E341-Q641 HydrophobicContact CG-CG 4.11Å; E341-Q641 WeakPolarHBondContact OE1-CG 3.18Å; E341-Q641 PolarHBondContact OE1-NE2 3.06Å; E341-Q641 PolarHBondContact OE2-NE2 3.05Å
342D71.6Confident82.7Confident141 Ų14142.7 Ų42.775%0.75422%0.219SC*.Iπ-helixtrans-80-36.2-173.9-71.2-40.2000112.9
343I72.2Confident82.2Confident116 Ų11642.5 Ų42.560%0.59522%0.218SC*.Iπ-helixtrans-112.8-38.7-169.1-54.1178.2000112.2D339D339-I343 HydrophobicContact CB-CD1 3.78Å; D339-I343 HydrophobicContact CB-CG1 4.2Å; D339-I343 PolarHBondContact O-N 3.39Å; D339-I343 VanDerWaalsContact O-N 3.16Å
344E74.3Confident81.9Confident21 Ų2146.2 Ų46.210%0.09824%0.236CC..Iπ-helixtrans-104.7-23.3-166.9-61.9-174.7-168.400113.9R72 L340 R346 R639R72-E344 IonicContact NE-OE1 2.88Å; L340-E344 HydrophobicContact CD1-CB 4.05Å; L340-E344 CarbonylContact O-C 3.48Å; L340-E344 WeakPolarHBondContact O-CA 3.48Å; L340-E344 WeakPolarHBondContact O-CB 3.34Å; L340-E344 PolarHBondContact O-N 2.82Å; L340-E344 VanDerWaalsContact O-N 3.09Å; E344-R346 PolarHBondContact O-N 3Å; E344-R639 IonicContact OE2-CZ 2.7Å; E344-R639 IonicContact OE2-NH1 3.53Å; E344-R639 PolarHBondContact OE2-NH1 3.33Å; E344-R639 IonicContact OE2-NH2 3.59Å; E344-R639 PolarHBondContact OE2-NH2 2.9Å
345E81.1Confident81.8Confident47 Ų4745.5 Ų45.522%0.2224%0.239CC..PPolyproline II helixtrans-70.3127.1-175.3-158.3-169.4-179.800112.1L340 T461 Q462 T463L340-E345 PolarHBondContact O-N 2.87Å; E345-T461 HydrophobicContact CG-CG2 4.43Å; E345-T461 VanDerWaalsContact OE1-CB 3.25Å; E345-T461 WeakPolarHBondContact OE1-CB 3.49Å; E345-T461 PolarHBondContact OE1-OG1 2.85Å; E345-T461 WeakPolarHBondContact OE2-CB 3.46Å; E345-T461 PolarHBondContact OE2-OG1 3.25Å; E345-Q462 PolarHBondContact OE1-N 3.34Å; E345-T463 PolarHBondContact OE1-N 3.28Å; E345-T463 PolarHBondContact OE1-OG1 3.14Å
346R82.2Confident81.5Confident76 Ų7649.6 Ų49.629%0.28727%0.265SS..PPolyproline II helixtrans-99.6158-175.2-61.7-173170.4-167.2-24.8112.1E68 E144 E344E68-R346 PolarHBondContact O-NH2 2.74Å; E68-R346 IonicContact OE1-CZ 2.68Å; E68-R346 IonicContact OE1-NH1 2.81Å; E68-R346 PolarHBondContact OE1-NH1 2.75Å; E68-R346 IonicContact OE1-NH2 3.95Å; E68-R346 PolarHBondContact OE1-NH2 3.08Å; E144-R346 IonicContact OE1-NH1 2.95Å; E344-R346 PolarHBondContact O-N 3Å
347P85.9Confident81.5Confident27 Ų2752.2 Ų52.218%0.17528%0.278CS..PPolyproline II helixtrans-61.9141.1174.6-19.931.7000111.6F351 R460P347-F351 HydrophobicContact CB-CD1 4.15Å; P347-R460 CarbonylContact C-O 3.56Å; P347-R460 VanDerWaalsContact CA-O 3.31Å; P347-R460 WeakPolarHBondContact CA-O 3.04Å; P347-R460 HydrophobicContact CB-CG 4.18Å; P347-R460 HydrophobicContact CG-CG 4.39Å
348R88.1Confident81.5Confident32 Ų3256.6 Ų56.612%0.12131%0.305CS..PPolyproline II helixtrans-57.6145.8177.3-65175.868.8-140.6-16.4110.6E350 F351 S352 R460 T461 Q462R348-E350 VanDerWaalsContact C-N 3.33Å; R348-E350 IonicContact CZ-OE2 3.78Å; R348-E350 IonicContact NH1-OE2 2.93Å; R348-E350 IonicContact NH2-OE2 3.74Å; R348-E350 PolarHBondContact NH2-OE2 3.21Å; R348-E350 PolarHBondContact O-N 3.45Å; R348-F351 HydrophobicContact CB-CB 4.12Å; R348-F351 WeakPolarHBondContact O-CB 3.11Å; R348-F351 PolarHBondContact O-N 3.28Å; R348-F351 VanDerWaalsContact O-N 3.16Å; R348-S352 PolarHBondContact O-N 3.46Å; R348-S352 PolarHBondContact O-OG 3.33Å; R348-R460 PolarHBondContact N-O 2.76Å; R348-T461 WeakPolarHBondContact CD-O 3.37Å; R348-Q462 HydrophobicContact CG-CB 4.19Å
349P82.6Confident81.8Confident42 Ų4260.6 Ų60.627%0.27332%0.323SS..Hα-helixtrans-58.2-42.1178.8-25.333.5000113.3A147 V159 F351 S352 A353A147-P349 HydrophobicContact CB-CG 4.07Å; A147-P349 VanDerWaalsContact O-CB 3.28Å; A147-P349 WeakPolarHBondContact O-CB 3.46Å; A147-P349 WeakPolarHBondContact O-CG 3.38Å; V159-P349 HydrophobicContact CG1-CB 4.48Å; P349-F351 VanDerWaalsContact C-N 3.35Å; P349-F351 PolarHBondContact O-N 3.42Å; P349-S352 PolarHBondContact O-N 3.42Å; P349-A353 WeakPolarHBondContact O-CB 3.28Å; P349-A353 PolarHBondContact O-N 2.93Å
350E80.4Confident82.2Confident68 Ų6865 Ų6532%0.31833%0.334SS..Hα-helixtrans-61.4-43.2176.7-61.6-179.2159.100111.9R348 A353 M354R348-E350 VanDerWaalsContact C-N 3.33Å; R348-E350 IonicContact CZ-OE2 3.78Å; R348-E350 IonicContact NH1-OE2 2.93Å; R348-E350 IonicContact NH2-OE2 3.74Å; R348-E350 PolarHBondContact NH2-OE2 3.21Å; R348-E350 PolarHBondContact O-N 3.45Å; E350-A353 PolarHBondContact O-N 2.94Å; E350-M354 WeakPolarHBondContact O-CB 3.47Å; E350-M354 WeakPolarHBondContact O-CG 3.49Å; E350-M354 PolarHBondContact O-N 3.33Å
351F86Confident82.4Confident3 Ų365.4 Ų65.41%0.01334%0.336CS..Hα-helixtrans-63.5-45.7177.2-178.8-92.4000110.7P347 R348 P349 A353 M354 A355 P369 F371 M458 H459 R460P347-F351 HydrophobicContact CB-CD1 4.15Å; R348-F351 HydrophobicContact CB-CB 4.12Å; R348-F351 WeakPolarHBondContact O-CB 3.11Å; R348-F351 PolarHBondContact O-N 3.28Å; R348-F351 VanDerWaalsContact O-N 3.16Å; P349-F351 VanDerWaalsContact C-N 3.35Å; P349-F351 PolarHBondContact O-N 3.42Å; F351-A353 VanDerWaalsContact C-N 3.27Å; F351-A353 PolarHBondContact O-N 3.21Å; F351-M354 PolarHBondContact O-N 2.95Å; F351-A355 VanDerWaalsContact O-CB 3.25Å; F351-A355 WeakPolarHBondContact O-CB 3.2Å; F351-A355 PolarHBondContact O-N 3.39Å; F351-P369 HydrophobicContact CD1-CB 4.36Å; F351-P369 HydrophobicContact CE1-CB 4.15Å; F351-P369 WeakPolarHBondContact CE1-O 3.33Å; F351-F371 HydrophobicContact CE2-CB 3.73Å; F351-F371 HydrophobicContact CZ-CB 3.78Å; F351-M458 HydrophobicContact CD2-CE 3.95Å; F351-M458 WeakPolarHBondContact CE2-O 3.45Å; F351-H459 WeakPolarHBondContact CD2-O 3.33Å; F351-R460 HydrophobicContact CD1-CB 4.46Å; F351-R460 HydrophobicContact CD1-CG 4.28Å; F351-R460 HydrophobicContact CE1-CB 4.16Å; F351-R460 HydrophobicContact CE1-CG 3.99Å; F351-R460 HydrophobicContact CE2-CB 4.47Å; F351-R460 HydrophobicContact CZ-CB 4.18Å; F351-R460 HydrophobicContact CZ-CG 4.45Å
352S82.6Confident82.9Confident48 Ų4868.6 Ų68.634%0.33636%0.362SS..Hα-helixtrans-62-34.7179.7-58.50000112.8R348 P349R348-S352 PolarHBondContact O-N 3.46Å; R348-S352 PolarHBondContact O-OG 3.33Å; P349-S352 PolarHBondContact O-N 3.42Å
353A80.6Confident83.4Confident10 Ų1068.2 Ų68.28%0.08336%0.364CS..Hα-helixtrans-80.5-33.9-179.400000113.3V154 V159 P349 E350 F351V154-A353 HydrophobicContact CG1-CB 4.17Å; V154-A353 VanDerWaalsContact O-O 3.12Å; V159-A353 HydrophobicContact CB-CB 4.47Å; V159-A353 HydrophobicContact CG2-CB 3.88Å; P349-A353 WeakPolarHBondContact O-CB 3.28Å; P349-A353 PolarHBondContact O-N 2.93Å; E350-A353 PolarHBondContact O-N 2.94Å; F351-A353 VanDerWaalsContact C-N 3.27Å; F351-A353 PolarHBondContact O-N 3.21Å
354M81.4Confident83.7Confident90 Ų9066.9 Ų66.944%0.44336%0.362SS..Hα-helixtrans-96.7-9.1-176.8-63.5-173.4-173.600114.3E350 F351 M458E350-M354 WeakPolarHBondContact O-CB 3.47Å; E350-M354 WeakPolarHBondContact O-CG 3.49Å; E350-M354 PolarHBondContact O-N 3.33Å; F351-M354 PolarHBondContact O-N 2.95Å; M354-M458 HydrophobicContact CB-CE 3.77Å
355A84.9Confident84.1Confident22 Ų2267.3 Ų67.318%0.18237%0.372CS..  trans-60129.8179.800000110.9F351 M357 P369F351-A355 VanDerWaalsContact O-CB 3.25Å; F351-A355 WeakPolarHBondContact O-CB 3.2Å; F351-A355 PolarHBondContact O-N 3.39Å; A355-M357 VanDerWaalsContact C-N 3.32Å; A355-M357 PolarHBondContact O-N 3.27Å; A355-P369 HydrophobicContact CB-CB 3.58Å
356P83.8Confident84.2Confident88 Ų8867.2 Ų67.257%0.57138%0.379SS*.SBendtrans-77.3-16.8-175.330.4-35.8000113.7F371P356-F371 HydrophobicContact CG-CD2 4.18Å
357M87.3Confident84.4Confident88 Ų8869.5 Ų69.543%0.43339%0.393SS..EExtended strand (participates in β ladder)trans-148.6162.9-175.962.2-17375.200110.8A355 Y370 P372A355-M357 VanDerWaalsContact C-N 3.32Å; A355-M357 PolarHBondContact O-N 3.27Å; M357-Y370 HydrophobicContact CG-CD1 3.97Å; M357-Y370 VanDerWaalsContact CG-O 3.22Å; M357-Y370 WeakPolarHBondContact CG-O 3.22Å; M357-Y370 PolarHBondContact O-N 3.27Å; M357-Y370 VanDerWaalsContact O-O 3.12Å; M357-Y370 HydrophobicContact SD-CD1 3.74Å; M357-Y370 HydrophobicContact SD-CE1 4.25Å; M357-P372 HydrophobicContact CE-CG 3.38Å; M357-P372 HydrophobicContact SD-CG 3.98Å
358T87.9Confident84.4Confident94 Ų9469.9 Ų69.958%0.57739%0.392SS*.EExtended strand (participates in β ladder)trans-112.8152168.559.90000109.8E367 E368T358-E367 PolarHBondContact OG1-OE2 2.82Å; T358-E368 CarbonylContact C-O 3.43Å; T358-E368 WeakPolarHBondContact CA-O 3.34Å; T358-E368 WeakPolarHBondContact CB-O 3.2Å
359M88Confident84.4Confident109 Ų10969.9 Ų69.954%0.53740%0.397SS..EExtended strand (participates in β ladder)trans-138.6142.6175.3-174171.9176.900109.1N361 E368 Y370M359-N361 PolarHBondContact O-N 3.32Å; M359-E368 PolarHBondContact N-O 2.74Å; M359-E368 PolarHBondContact O-N 3.15Å; M359-Y370 HydrophobicContact CB-CD1 4.37Å; M359-Y370 HydrophobicContact CB-CG 4Å; M359-Y370 HydrophobicContact SD-CD1 4.31Å; M359-Y370 HydrophobicContact SD-CD2 4.44Å; M359-Y370 HydrophobicContact SD-CE1 4.39Å; M359-Y370 HydrophobicContact SD-CG 4.34Å
360R87.3Confident84.7Confident166 Ų16671.2 Ų71.263%0.62640%0.397SS*.EExtended strand (participates in β ladder)trans-70.3122.2174.5-164.1171.9-177.9-172.2-4.3110.7G365 A366 E367R360-G365 WeakPolarHBondContact CG-O 3.43Å; R360-G365 PolarHBondContact NE-O 3.08Å; R360-A366 CarbonylContact C-O 3.6Å; R360-A366 WeakPolarHBondContact CA-O 3.31Å; R360-E367 WeakPolarHBondContact CB-OE1 3.15Å
361N84.8Confident85.2Confident26 Ų2668.6 Ų68.614%0.13938%0.384CS..  trans-67.5126.3175-178.5-22.7000109.6M359 V363 T364 G365 A366 E368M359-N361 PolarHBondContact O-N 3.32Å; N361-V363 VanDerWaalsContact C-N 3.28Å; N361-V363 PolarHBondContact O-N 3.4Å; N361-V363 PolarHBondContact OD1-N 2.83Å; N361-T364 VanDerWaalsContact CB-OG1 3.3Å; N361-T364 WeakPolarHBondContact CB-OG1 3.28Å; N361-T364 VanDerWaalsContact CG-OG1 3.26Å; N361-T364 PolarHBondContact ND2-OG1 3.04Å; N361-T364 PolarHBondContact OD1-N 3.13Å; N361-G365 WeakPolarHBondContact O-CA 3.47Å; N361-G365 PolarHBondContact O-N 2.95Å; N361-A366 PolarHBondContact N-O 3Å; N361-E368 HydrophobicContact CB-CG 4.39Å; N361-E368 WeakPolarHBondContact CB-OE1 3.4Å; N361-E368 PolarHBondContact ND2-OE1 2.77Å
362P87.4Confident85.4Confident126 Ų12669.7 Ų69.782%0.81839%0.392SS*.THydrogen-bonded Turntrans-69.1-23.5-178.527.9-35.3000113.7
363V82.4Confident85.7Confident133 Ų13373.3 Ų73.381%0.80640%0.404SS*.THydrogen-bonded Turntrans-86-53.9-177.9-177.70000110.8N361N361-V363 VanDerWaalsContact C-N 3.28Å; N361-V363 PolarHBondContact O-N 3.4Å; N361-V363 PolarHBondContact OD1-N 2.83Å
364T79.8Confident86.2Confident89 Ų8979.1 Ų79.155%0.54643%0.433SS..THydrogen-bonded Turntrans-86.4-20.3-176.262.80000112.7N361 A366N361-T364 VanDerWaalsContact CB-OG1 3.3Å; N361-T364 WeakPolarHBondContact CB-OG1 3.28Å; N361-T364 VanDerWaalsContact CG-OG1 3.26Å; N361-T364 PolarHBondContact ND2-OG1 3.04Å; N361-T364 PolarHBondContact OD1-N 3.13Å; T364-A366 PolarHBondContact O-N 3.25Å; T364-A366 PolarHBondContact OG1-N 3.39Å
365G82Confident86.6Confident30 Ų3081.2 Ų81.231%0.30944%0.44SS..  trans72.22.6-173.500000114.4R360 N361R360-G365 WeakPolarHBondContact CG-O 3.43Å; R360-G365 PolarHBondContact NE-O 3.08Å; N361-G365 WeakPolarHBondContact O-CA 3.47Å; N361-G365 PolarHBondContact O-N 2.95Å
366A82.2Confident86.9Confident45 Ų4582.6 Ų82.637%0.37244%0.44SS..  trans-83.9148.5-179.800000112.1R360 N361 T364R360-A366 CarbonylContact C-O 3.6Å; R360-A366 WeakPolarHBondContact CA-O 3.31Å; N361-A366 PolarHBondContact N-O 3Å; T364-A366 PolarHBondContact O-N 3.25Å; T364-A366 PolarHBondContact OG1-N 3.39Å
367E86.1Confident87.3Confident123 Ų12383.9 Ų83.958%0.57544%0.442SS*.EExtended strand (participates in β ladder)trans-76.1121.3171-75.2-70.6152.100109.8T358 R360T358-E367 PolarHBondContact OG1-OE2 2.82Å; R360-E367 WeakPolarHBondContact CB-OE1 3.15Å
368E86.1Confident87.5Confident35 Ų3585 Ų8516%0.16445%0.45CS..EExtended strand (participates in β ladder)trans-127.1150.5-176.3-69.2-176.7-15400112.4T358 M359 N361 Y370 R460T358-E368 CarbonylContact C-O 3.43Å; T358-E368 WeakPolarHBondContact CA-O 3.34Å; T358-E368 WeakPolarHBondContact CB-O 3.2Å; M359-E368 PolarHBondContact N-O 2.74Å; M359-E368 PolarHBondContact O-N 3.15Å; N361-E368 HydrophobicContact CB-CG 4.39Å; N361-E368 WeakPolarHBondContact CB-OE1 3.4Å; N361-E368 PolarHBondContact ND2-OE1 2.77Å; E368-Y370 PolarHBondContact O-N 3.28Å; E368-R460 IonicContact OE1-NH2 3.43Å; E368-R460 IonicContact OE2-CZ 3.29Å; E368-R460 IonicContact OE2-NE 3.22Å; E368-R460 IonicContact OE2-NH2 3.49Å; E368-R460 PolarHBondContact OE2-NH2 2.94Å
369P88.4Confident87.8Confident32 Ų3284 Ų8421%0.20844%0.435CS..EExtended strand (participates in β ladder)trans-57.7133.2172.2-21.632.8000111.8F351 A355F351-P369 HydrophobicContact CD1-CB 4.36Å; F351-P369 HydrophobicContact CE1-CB 4.15Å; F351-P369 WeakPolarHBondContact CE1-O 3.33Å; A355-P369 HydrophobicContact CB-CB 3.58Å
370Y89.8Confident87.9Confident71 Ų7180.5 Ų80.528%0.27842%0.42SS..EExtended strand (participates in β ladder)trans-132.3143.5-177.4178.7-107.1000112.2M357 M359 E368M357-Y370 HydrophobicContact CG-CD1 3.97Å; M357-Y370 VanDerWaalsContact CG-O 3.22Å; M357-Y370 WeakPolarHBondContact CG-O 3.22Å; M357-Y370 PolarHBondContact O-N 3.27Å; M357-Y370 VanDerWaalsContact O-O 3.12Å; M357-Y370 HydrophobicContact SD-CD1 3.74Å; M357-Y370 HydrophobicContact SD-CE1 4.25Å; M359-Y370 HydrophobicContact CB-CD1 4.37Å; M359-Y370 HydrophobicContact CB-CG 4Å; M359-Y370 HydrophobicContact SD-CD1 4.31Å; M359-Y370 HydrophobicContact SD-CD2 4.44Å; M359-Y370 HydrophobicContact SD-CE1 4.39Å; M359-Y370 HydrophobicContact SD-CG 4.34Å; E368-Y370 PolarHBondContact O-N 3.28Å
371F90.3Very high88.2Confident12 Ų1274.9 Ų74.95%0.05341%0.409CS..  trans-124.5126.7176.2-176.5-99000109.7F351 P356 E373 K375 R376F351-F371 HydrophobicContact CE2-CB 3.73Å; F351-F371 HydrophobicContact CZ-CB 3.78Å; P356-F371 HydrophobicContact CG-CD2 4.18Å; F371-E373 PolarHBondContact O-N 3.35Å; F371-K375 HydrophobicContact CE1-CB 4.11Å; F371-K375 HydrophobicContact CZ-CB 3.95Å; F371-R376 HydrophobicContact CD1-CB 3.93Å; F371-R376 HydrophobicContact CE1-CB 3.73Å
372P91.1Very high88.4Confident27 Ų2777.3 Ų77.318%0.17543%0.425CS..  trans-57.8126.9-176.2-26.834.4000113.7M357 N374 K375 R376M357-P372 HydrophobicContact CE-CG 3.38Å; M357-P372 HydrophobicContact SD-CG 3.98Å; P372-N374 PolarHBondContact O-N 3.48Å; P372-K375 HydrophobicContact CB-CG 4.47Å; P372-K375 PolarHBondContact O-N 3.34Å; P372-R376 PolarHBondContact O-N 3.47Å; P372-R376 VanDerWaalsContact O-N 3.14Å
373E88.8Confident88.6Confident124 Ų12471.3 Ų71.358%0.57939%0.386SS*.Hα-helixtrans-60.6-41.3-177.7-69.2-178.317000113.2F371 K375 R376 L377F371-E373 PolarHBondContact O-N 3.35Å; E373-K375 VanDerWaalsContact C-N 3.26Å; E373-K375 PolarHBondContact O-N 3.12Å; E373-R376 CarbonylContact O-C 3.56Å; E373-R376 WeakPolarHBondContact O-CA 3.34Å; E373-R376 WeakPolarHBondContact O-CB 3.43Å; E373-R376 PolarHBondContact O-N 3.21Å; E373-L377 WeakPolarHBondContact O-CB 3.45Å; E373-L377 PolarHBondContact O-N 2.97Å
374N89.9Confident88.9Confident131 Ų13167.9 Ų67.970%0.70137%0.367SS*.Hα-helixtrans-59.2-38178.9-64.9-10.2000112.5P372 N378P372-N374 PolarHBondContact O-N 3.48Å; N374-N378 PolarHBondContact O-N 3.19Å
375K90.9Very high89.5Confident135 Ų13569.8 Ų69.859%0.58737%0.371SS*.Hα-helixtrans-71.2-37.6175.9-70-172.3178.3-178.10111F371 P372 E373 R379F371-K375 HydrophobicContact CE1-CB 4.11Å; F371-K375 HydrophobicContact CZ-CB 3.95Å; P372-K375 HydrophobicContact CB-CG 4.47Å; P372-K375 PolarHBondContact O-N 3.34Å; E373-K375 VanDerWaalsContact C-N 3.26Å; E373-K375 PolarHBondContact O-N 3.12Å; K375-R379 WeakPolarHBondContact O-CG 3.29Å; K375-R379 PolarHBondContact O-N 3.08Å
376R91.6Very high89.9Confident50 Ų5070.8 Ų70.819%0.18937%0.371CS..Hα-helixtrans-62.9-48.2175.2-172.2178.1-70.7146.6-2.7110.7F371 P372 E373 N378 R379 T380 M458F371-R376 HydrophobicContact CD1-CB 3.93Å; F371-R376 HydrophobicContact CE1-CB 3.73Å; P372-R376 PolarHBondContact O-N 3.47Å; P372-R376 VanDerWaalsContact O-N 3.14Å; E373-R376 CarbonylContact O-C 3.56Å; E373-R376 WeakPolarHBondContact O-CA 3.34Å; E373-R376 WeakPolarHBondContact O-CB 3.43Å; E373-R376 PolarHBondContact O-N 3.21Å; R376-N378 VanDerWaalsContact C-N 3.33Å; R376-N378 PolarHBondContact O-N 3.5Å; R376-R379 CarbonylContact O-C 3.58Å; R376-R379 WeakPolarHBondContact O-CA 3.32Å; R376-R379 WeakPolarHBondContact O-CB 3.49Å; R376-R379 PolarHBondContact O-N 2.77Å; R376-T380 PolarHBondContact O-N 3.22Å; R376-T380 PolarHBondContact O-OG1 3.41Å; R376-T380 VanDerWaalsContact O-OG1 3.11Å; R376-M458 PolarHBondContact NE-O 3.32Å; R376-M458 PolarHBondContact NH2-O 2.89Å
377L90.6Very high90.2Very high116 Ų11669.3 Ų69.361%0.60736%0.357SS*.Hα-helixtrans-60.4-43.1-177.8-163.5150.5000111.3E373 R379 T380 A381E373-L377 WeakPolarHBondContact O-CB 3.45Å; E373-L377 PolarHBondContact O-N 2.97Å; L377-R379 VanDerWaalsContact C-N 3.34Å; L377-R379 PolarHBondContact O-N 3.37Å; L377-T380 PolarHBondContact O-N 3.44Å; L377-A381 VanDerWaalsContact O-CB 3.28Å; L377-A381 WeakPolarHBondContact O-CB 3.41Å; L377-A381 PolarHBondContact O-N 3.24Å
378N92.9Very high90.5Very high112 Ų11267.2 Ų67.260%0.59935%0.352SS*.Hα-helixtrans-61.2-41.3173.5-73.4-1.8000112.4N374 R376 A381 T382N374-N378 PolarHBondContact O-N 3.19Å; R376-N378 VanDerWaalsContact C-N 3.33Å; R376-N378 PolarHBondContact O-N 3.5Å; N378-A381 PolarHBondContact O-N 2.89Å; N378-T382 PolarHBondContact O-N 2.9Å; N378-T382 PolarHBondContact O-OG1 3.31Å; N378-T382 VanDerWaalsContact O-OG1 3.11Å
379R93.6Very high90.7Very high73 Ų7370.8 Ų70.828%0.27537%0.371SS..Hα-helixtrans-65.2-47.3175.6-68.9-175.5-178.2-173.81111.8K375 R376 L377 A381 T382 G383 W456K375-R379 WeakPolarHBondContact O-CG 3.29Å; K375-R379 PolarHBondContact O-N 3.08Å; R376-R379 CarbonylContact O-C 3.58Å; R376-R379 WeakPolarHBondContact O-CA 3.32Å; R376-R379 WeakPolarHBondContact O-CB 3.49Å; R376-R379 PolarHBondContact O-N 2.77Å; L377-R379 VanDerWaalsContact C-N 3.34Å; L377-R379 PolarHBondContact O-N 3.37Å; R379-A381 VanDerWaalsContact C-N 3.3Å; R379-A381 PolarHBondContact O-N 3.46Å; R379-T382 PolarHBondContact O-N 2.72Å; R379-G383 PolarHBondContact O-N 3.05Å; R379-W456 VanDerWaalsContact CA-CZ3 3.5Å; R379-W456 HydrophobicContact CB-CD2 4.38Å; R379-W456 HydrophobicContact CB-CE3 3.87Å; R379-W456 HydrophobicContact CB-CH2 3.75Å; R379-W456 HydrophobicContact CB-CZ2 4.24Å; R379-W456 HydrophobicContact CB-CZ3 3.55Å; R379-W456 WeakPolarHBondContact CD-O 3.27Å; R379-W456 HydrophobicContact CG-CD2 4.3Å; R379-W456 HydrophobicContact CG-CE3 4.22Å; R379-W456 HydrophobicContact CG-CH2 3.61Å; R379-W456 HydrophobicContact CG-CZ2 3.65Å; R379-W456 HydrophobicContact CG-CZ3 3.92Å; R379-W456 PolarHBondContact NH1-O 3.29Å; R379-W456 WeakPolarHBondContact O-CZ3 3.3Å
380T90.8Very high90.6Very high35 Ų3570.9 Ų70.922%0.21537%0.37CS..Hα-helixtrans-61.1-39.8176.8-560000111R376 L377 G383 C384R376-T380 PolarHBondContact O-N 3.22Å; R376-T380 PolarHBondContact O-OG1 3.41Å; R376-T380 VanDerWaalsContact O-OG1 3.11Å; L377-T380 PolarHBondContact O-N 3.44Å; T380-G383 CarbonylContact O-C 3.28Å; T380-G383 WeakPolarHBondContact O-CA 3.2Å; T380-G383 PolarHBondContact O-N 3.36Å; T380-G383 VanDerWaalsContact O-N 3.14Å; T380-C384 PolarHBondContact O-N 3.39Å; T380-C384 PolarHBondContact O-SG 3.11Å
381A91.9Very high90.6Very high47 Ų4769.8 Ų69.839%0.38837%0.368SS..Hα-helixtrans-63.3-44.3175.900000112.3L377 N378 R379 G383 C384 M385L377-A381 VanDerWaalsContact O-CB 3.28Å; L377-A381 WeakPolarHBondContact O-CB 3.41Å; L377-A381 PolarHBondContact O-N 3.24Å; N378-A381 PolarHBondContact O-N 2.89Å; R379-A381 VanDerWaalsContact C-N 3.3Å; R379-A381 PolarHBondContact O-N 3.46Å; A381-G383 VanDerWaalsContact C-N 3.27Å; A381-G383 PolarHBondContact O-N 3.12Å; A381-C384 PolarHBondContact O-N 3.05Å; A381-M385 WeakPolarHBondContact O-CG 3.44Å; A381-M385 PolarHBondContact O-N 2.71Å
382T90.7Very high90.6Very high78 Ų7872.8 Ų72.848%0.47939%0.39SS..Hα-helixtrans-60.1-40.1171.6-57.40000111.3N378 R379 M385 V386 W456N378-T382 PolarHBondContact O-N 2.9Å; N378-T382 PolarHBondContact O-OG1 3.31Å; N378-T382 VanDerWaalsContact O-OG1 3.11Å; R379-T382 PolarHBondContact O-N 2.72Å; T382-M385 WeakPolarHBondContact O-CB 3.38Å; T382-M385 PolarHBondContact O-N 2.99Å; T382-V386 PolarHBondContact O-N 3.4Å; T382-V386 VanDerWaalsContact O-N 3.16Å; T382-W456 HydrophobicContact CG2-CH2 4.17Å; T382-W456 HydrophobicContact CG2-CZ3 4.28Å
383G90Very high90.6Very high0 Ų073.8 Ų73.80%040%0.395CS..Hα-helixtrans-60.9-47.5173.900000113.4R379 T380 A381 M385 V386 I387 L453R379-G383 PolarHBondContact O-N 3.05Å; T380-G383 CarbonylContact O-C 3.28Å; T380-G383 WeakPolarHBondContact O-CA 3.2Å; T380-G383 PolarHBondContact O-N 3.36Å; T380-G383 VanDerWaalsContact O-N 3.14Å; A381-G383 VanDerWaalsContact C-N 3.27Å; A381-G383 PolarHBondContact O-N 3.12Å; G383-M385 VanDerWaalsContact C-N 3.28Å; G383-M385 PolarHBondContact O-N 2.87Å; G383-V386 PolarHBondContact O-N 3.29Å; G383-I387 WeakPolarHBondContact O-CG1 3.46Å; G383-I387 PolarHBondContact O-N 3.43Å; G383-I387 VanDerWaalsContact O-N 3.11Å; G383-L453 VanDerWaalsContact CA-CD1 3.47Å; G383-L453 VanDerWaalsContact CA-CD2 3.44Å
384C89.7Confident90.6Very high61 Ų6168 Ų6841%0.41237%0.369SS..Hα-helixtrans-58.2-38.6174.5-69.30000112.2T380 A381 I387 V388T380-C384 PolarHBondContact O-N 3.39Å; T380-C384 PolarHBondContact O-SG 3.11Å; A381-C384 PolarHBondContact O-N 3.05Å; C384-I387 WeakPolarHBondContact O-CB 3.36Å; C384-I387 PolarHBondContact O-N 2.83Å; C384-V388 WeakPolarHBondContact O-CG2 3.14Å; C384-V388 PolarHBondContact O-N 2.67Å
385M92.3Very high90.4Very high128 Ų12864.5 Ų64.563%0.63135%0.353SS*.Hα-helixtrans-62.2-43.1175.6-72.9-70.3156.900112.4A381 T382 G383 I387 V388 I389A381-M385 WeakPolarHBondContact O-CG 3.44Å; A381-M385 PolarHBondContact O-N 2.71Å; T382-M385 WeakPolarHBondContact O-CB 3.38Å; T382-M385 PolarHBondContact O-N 2.99Å; G383-M385 VanDerWaalsContact C-N 3.28Å; G383-M385 PolarHBondContact O-N 2.87Å; M385-I387 VanDerWaalsContact C-N 3.27Å; M385-I387 PolarHBondContact O-N 2.81Å; M385-V388 PolarHBondContact O-N 3.42Å; M385-I389 WeakPolarHBondContact O-CG1 3.48Å; M385-I389 PolarHBondContact O-N 2.88Å; M385-I389 VanDerWaalsContact O-N 3.09Å
386V90.6Very high90.3Very high52 Ų5264.1 Ų64.132%0.31535%0.354SS..Hα-helixtrans-60.5-39.8175.1174.90000110.9T382 G383 I389 M390 L449T382-V386 PolarHBondContact O-N 3.4Å; T382-V386 VanDerWaalsContact O-N 3.16Å; G383-V386 PolarHBondContact O-N 3.29Å; V386-I389 PolarHBondContact O-N 3.19Å; V386-M390 WeakPolarHBondContact O-CG 3.42Å; V386-M390 PolarHBondContact O-N 3.06Å; V386-M390 VanDerWaalsContact O-N 3.09Å; V386-L449 HydrophobicContact CG1-CD2 4Å
387I89.3Confident90.2Very high13 Ų1365.9 Ų65.97%0.06736%0.364CS..Hα-helixtrans-64.4-45.8178.2-63.3168.1000111.1G383 C384 M385 I389 M390 I391 Y446 L453 K472 I475G383-I387 WeakPolarHBondContact O-CG1 3.46Å; G383-I387 PolarHBondContact O-N 3.43Å; G383-I387 VanDerWaalsContact O-N 3.11Å; C384-I387 WeakPolarHBondContact O-CB 3.36Å; C384-I387 PolarHBondContact O-N 2.83Å; M385-I387 VanDerWaalsContact C-N 3.27Å; M385-I387 PolarHBondContact O-N 2.81Å; I387-I389 VanDerWaalsContact C-N 3.31Å; I387-I389 PolarHBondContact O-N 3.2Å; I387-M390 PolarHBondContact O-N 2.97Å; I387-M390 VanDerWaalsContact O-N 3.12Å; I387-I391 HydrophobicContact CG2-CD1 3.86Å; I387-I391 HydrophobicContact CG2-CG1 4.37Å; I387-I391 WeakPolarHBondContact O-CG1 3.26Å; I387-I391 PolarHBondContact O-N 3.08Å; I387-Y446 WeakPolarHBondContact CG1-OH 3.33Å; I387-L453 HydrophobicContact CD1-CD2 4.41Å; I387-L453 HydrophobicContact CG1-CD2 4.39Å; I387-K472 HydrophobicContact CD1-CB 3.99Å; I387-K472 HydrophobicContact CD1-CD 3.77Å; I387-K472 HydrophobicContact CD1-CG 3.45Å; I387-K472 VanDerWaalsContact CD1-CG 3.45Å; I387-I475 HydrophobicContact CG2-CG2 4.39Å
388V90.8Very high90Very high79 Ų7961.5 Ų61.548%0.47934%0.341SS..Hα-helixtrans-59.4-43.3177.9171.50000111.1C384 M385 M390 I391 C392C384-V388 WeakPolarHBondContact O-CG2 3.14Å; C384-V388 PolarHBondContact O-N 2.67Å; M385-V388 PolarHBondContact O-N 3.42Å; V388-M390 VanDerWaalsContact C-N 3.31Å; V388-M390 PolarHBondContact O-N 2.85Å; V388-I391 PolarHBondContact O-N 3.3Å; V388-C392 PolarHBondContact O-N 3.08Å; V388-C392 PolarHBondContact O-SG 2.96Å; V388-C392 VanDerWaalsContact O-SG 3.36Å
389I90.8Very high89.6Confident110 Ų11059.1 Ų59.156%0.56433%0.328SS*.Hα-helixtrans-58.5-45.8175.6-67.6166.6000110.5M385 V386 I387 I391 C392 V393M385-I389 WeakPolarHBondContact O-CG1 3.48Å; M385-I389 PolarHBondContact O-N 2.88Å; M385-I389 VanDerWaalsContact O-N 3.09Å; V386-I389 PolarHBondContact O-N 3.19Å; I387-I389 VanDerWaalsContact C-N 3.31Å; I387-I389 PolarHBondContact O-N 3.2Å; I389-I391 VanDerWaalsContact C-N 3.34Å; I389-I391 PolarHBondContact O-N 3.46Å; I389-C392 WeakPolarHBondContact O-CB 3.49Å; I389-C392 PolarHBondContact O-N 3.01Å; I389-V393 WeakPolarHBondContact O-CG2 3.25Å; I389-V393 PolarHBondContact O-N 3.3Å
390M86.4Confident89.3Confident34 Ų3458.1 Ų58.117%0.16734%0.335CS..Hα-helixtrans-65.9-35.7179.4-69.1-59.1-65.900112.8V386 I387 V388 C392 V393 Y446 L449 F476V386-M390 WeakPolarHBondContact O-CG 3.42Å; V386-M390 PolarHBondContact O-N 3.06Å; V386-M390 VanDerWaalsContact O-N 3.09Å; I387-M390 PolarHBondContact O-N 2.97Å; I387-M390 VanDerWaalsContact O-N 3.12Å; V388-M390 VanDerWaalsContact C-N 3.31Å; V388-M390 PolarHBondContact O-N 2.85Å; M390-C392 VanDerWaalsContact C-N 3.33Å; M390-V393 WeakPolarHBondContact O-CB 3.09Å; M390-V393 PolarHBondContact O-N 3.42Å; M390-Y446 HydrophobicContact CB-CD2 4.09Å; M390-Y446 HydrophobicContact CB-CE2 3.96Å; M390-Y446 HydrophobicContact CE-CD2 4.25Å; M390-Y446 HydrophobicContact CG-CD2 4.16Å; M390-Y446 HydrophobicContact CG-CE2 4.2Å; M390-L449 HydrophobicContact CG-CD2 4.46Å; M390-F476 HydrophobicContact CB-CD2 4.29Å; M390-F476 HydrophobicContact CB-CE2 4.4Å; M390-F476 HydrophobicContact CE-CE2 4.42Å
391I90.4Very high89.1Confident48 Ų4857.3 Ų57.325%0.24633%0.329CS..Hα-helixtrans-62.5-41.6173.8-70.8167.5000110.7I387 V388 I389 V393 V394 P395 I475 V479I387-I391 HydrophobicContact CG2-CD1 3.86Å; I387-I391 HydrophobicContact CG2-CG1 4.37Å; I387-I391 WeakPolarHBondContact O-CG1 3.26Å; I387-I391 PolarHBondContact O-N 3.08Å; V388-I391 PolarHBondContact O-N 3.3Å; I389-I391 VanDerWaalsContact C-N 3.34Å; I389-I391 PolarHBondContact O-N 3.46Å; I391-V393 VanDerWaalsContact C-N 3.25Å; I391-V393 PolarHBondContact O-N 3.28Å; I391-V394 PolarHBondContact O-N 3.18Å; I391-P395 WeakPolarHBondContact O-CD 3.33Å; I391-I475 HydrophobicContact CD1-CG2 3.51Å; I391-I475 HydrophobicContact CG1-CG2 4.34Å; I391-V479 HydrophobicContact CG1-CG2 4.44Å; I391-V479 HydrophobicContact CG2-CG1 4.26Å; I391-V479 HydrophobicContact CG2-CG2 4.13Å
392C90.6Very high88.6Confident75 Ų7556.7 Ų56.751%0.50732%0.319SS..Hα-helixtrans-66.1-26.2177.1-67.50000113.2V388 I389 M390 P395 M396V388-C392 PolarHBondContact O-N 3.08Å; V388-C392 PolarHBondContact O-SG 2.96Å; V388-C392 VanDerWaalsContact O-SG 3.36Å; I389-C392 WeakPolarHBondContact O-CB 3.49Å; I389-C392 PolarHBondContact O-N 3.01Å; M390-C392 VanDerWaalsContact C-N 3.33Å; C392-P395 VanDerWaalsContact O-CD 3.3Å; C392-P395 WeakPolarHBondContact O-CD 3.42Å; C392-P395 WeakPolarHBondContact O-CG 3.38Å; C392-M396 WeakPolarHBondContact O-CG 3.35Å
393V89.9Confident88.3Confident48 Ų4854.7 Ų54.729%0.29131%0.305SS..Hα-helixtrans-69.5-33.6177.4167.90000112.1I389 M390 I391 M396 F397I389-V393 WeakPolarHBondContact O-CG2 3.25Å; I389-V393 PolarHBondContact O-N 3.3Å; M390-V393 WeakPolarHBondContact O-CB 3.09Å; M390-V393 PolarHBondContact O-N 3.42Å; I391-V393 VanDerWaalsContact C-N 3.25Å; I391-V393 PolarHBondContact O-N 3.28Å; V393-M396 WeakPolarHBondContact O-CB 3.37Å; V393-M396 PolarHBondContact O-N 3.41Å; V393-F397 HydrophobicContact CG1-CD2 3.57Å; V393-F397 HydrophobicContact CG1-CE2 3.33Å; V393-F397 WeakPolarHBondContact O-CD2 3.31Å; V393-F397 PolarHBondContact O-N 3.5Å
394V88.6Confident88.2Confident4 Ų459.3 Ų59.32%0.02432%0.323CS..Hα-helixtrans-58.2-55.3-179.9178.50000113.4I391 M396 F397 L398 F476 V479I391-V394 PolarHBondContact O-N 3.18Å; V394-M396 PolarHBondContact O-N 3.4Å; V394-F397 PolarHBondContact O-N 2.93Å; V394-F397 VanDerWaalsContact O-N 3.1Å; V394-L398 PolarHBondContact O-N 3.08Å; V394-F476 HydrophobicContact CG2-CE2 3.83Å; V394-F476 HydrophobicContact CG2-CZ 4.33Å; V394-V479 HydrophobicContact CB-CG1 3.98Å; V394-V479 HydrophobicContact CG1-CG1 3.98Å; V394-V479 HydrophobicContact CG2-CG1 4.27Å
395P86.3Confident87.9Confident56 Ų5659.7 Ų59.736%0.36432%0.316SS..Hα-helixtrans-63.2-27.3179.225.5-34.1000112.6I391 C392 L398 I399I391-P395 WeakPolarHBondContact O-CD 3.33Å; C392-P395 VanDerWaalsContact O-CD 3.3Å; C392-P395 WeakPolarHBondContact O-CD 3.42Å; C392-P395 WeakPolarHBondContact O-CG 3.38Å; P395-L398 PolarHBondContact O-N 3.08Å; P395-I399 VanDerWaalsContact O-CG1 3.29Å; P395-I399 WeakPolarHBondContact O-CG1 3.4Å; P395-I399 PolarHBondContact O-N 3.33Å
396M89.3Confident87.2Confident127 Ų12754.9 Ų54.963%0.62629%0.294SS*.Hα-helixtrans-63.6-43.8173.4-66.1-59.7-62.900111.8C392 V393 V394 I399 A400C392-M396 WeakPolarHBondContact O-CG 3.35Å; V393-M396 WeakPolarHBondContact O-CB 3.37Å; V393-M396 PolarHBondContact O-N 3.41Å; V394-M396 PolarHBondContact O-N 3.4Å; M396-I399 PolarHBondContact O-N 3.03Å; M396-A400 PolarHBondContact O-N 2.78Å
397F88.4Confident86.8Confident88 Ų8856.5 Ų56.539%0.38630%0.3SS..Hα-helixtrans-65.6-37.9174.1-80.6-66.8000112.5V393 V394 A400 I401 I438 L442V393-F397 HydrophobicContact CG1-CD2 3.57Å; V393-F397 HydrophobicContact CG1-CE2 3.33Å; V393-F397 WeakPolarHBondContact O-CD2 3.31Å; V393-F397 PolarHBondContact O-N 3.5Å; V394-F397 PolarHBondContact O-N 2.93Å; V394-F397 VanDerWaalsContact O-N 3.1Å; F397-A400 WeakPolarHBondContact O-CB 3.4Å; F397-A400 PolarHBondContact O-N 3.02Å; F397-I401 WeakPolarHBondContact O-CG1 3.35Å; F397-I401 PolarHBondContact O-N 3.5Å; F397-I438 HydrophobicContact CB-CG2 4.37Å; F397-I438 HydrophobicContact CD1-CG2 4.41Å; F397-I438 HydrophobicContact CG-CG2 4.31Å; F397-L442 HydrophobicContact CD2-CD1 3.85Å; F397-L442 HydrophobicContact CE2-CD1 4.14Å; F397-L442 HydrophobicContact CE2-CD2 4.16Å; F397-L442 HydrophobicContact CG-CD1 4.49Å
398L85.8Confident86.5Confident23 Ų2357.8 Ų57.812%0.1231%0.307CS..Hα-helixtrans-60.2-48.1174.4-68.4176.9000112.2V394 P395 A400 I401 I402 S483 T484V394-L398 PolarHBondContact O-N 3.08Å; P395-L398 PolarHBondContact O-N 3.08Å; L398-A400 PolarHBondContact O-N 3.45Å; L398-I401 PolarHBondContact O-N 3.49Å; L398-I401 VanDerWaalsContact O-N 3.16Å; L398-I402 WeakPolarHBondContact O-CD1 3.43Å; L398-I402 VanDerWaalsContact O-CG1 3.26Å; L398-I402 WeakPolarHBondContact O-CG1 3.42Å; L398-I402 PolarHBondContact O-N 2.8Å; L398-S483 WeakPolarHBondContact CD1-OG 3.49Å; L398-T484 WeakPolarHBondContact CD2-OG1 3.3Å
399I85.8Confident85.8Confident63 Ų6359.2 Ų59.232%0.32330%0.303SS..Hα-helixtrans-58.8-42.8176.7-67.5165.5000109.5P395 M396 I401 I402 L403 L505P395-I399 VanDerWaalsContact O-CG1 3.29Å; P395-I399 WeakPolarHBondContact O-CG1 3.4Å; P395-I399 PolarHBondContact O-N 3.33Å; M396-I399 PolarHBondContact O-N 3.03Å; I399-I401 PolarHBondContact O-N 3.33Å; I399-I402 PolarHBondContact O-N 3.05Å; I399-L403 HydrophobicContact CG2-CD1 3.96Å; I399-L403 HydrophobicContact CG2-CG 4.33Å; I399-L403 WeakPolarHBondContact O-CB 3.45Å; I399-L403 VanDerWaalsContact O-CG 3.26Å; I399-L403 WeakPolarHBondContact O-CG 3.18Å; I399-L403 PolarHBondContact O-N 2.84Å; I399-L505 HydrophobicContact CG2-CD2 4.13Å
400A87.7Confident85.1Confident52 Ų5257.4 Ų57.443%0.4330%0.297SS..Hα-helixtrans-60.7-41.5176.600000112.9M396 F397 L398 L403 Y404M396-A400 PolarHBondContact O-N 2.78Å; F397-A400 WeakPolarHBondContact O-CB 3.4Å; F397-A400 PolarHBondContact O-N 3.02Å; L398-A400 PolarHBondContact O-N 3.45Å; A400-L403 PolarHBondContact O-N 3.21Å; A400-Y404 WeakPolarHBondContact O-CB 3.35Å; A400-Y404 PolarHBondContact O-N 3.45Å
401I85.6Confident84.9Confident17 Ų1760 Ų609%0.08732%0.315CS..Hα-helixtrans-67.5-41.2176.9-67.4161.1000111.2F397 L398 I399 L403 Y404 R405 A431 N435 I438F397-I401 WeakPolarHBondContact O-CG1 3.35Å; F397-I401 PolarHBondContact O-N 3.5Å; L398-I401 PolarHBondContact O-N 3.49Å; L398-I401 VanDerWaalsContact O-N 3.16Å; I399-I401 PolarHBondContact O-N 3.33Å; I401-L403 VanDerWaalsContact C-N 3.34Å; I401-Y404 WeakPolarHBondContact O-CB 3.28Å; I401-Y404 PolarHBondContact O-N 2.98Å; I401-R405 WeakPolarHBondContact O-CB 3.26Å; I401-R405 PolarHBondContact O-N 2.98Å; I401-A431 HydrophobicContact CG2-CB 4.36Å; I401-N435 HydrophobicContact CD1-CB 3.91Å; I401-N435 VanDerWaalsContact CD1-OD1 3.24Å; I401-N435 WeakPolarHBondContact CD1-OD1 3.46Å; I401-N435 HydrophobicContact CG2-CB 4.35Å; I401-I438 HydrophobicContact CD1-CD1 3.78Å; I401-I438 HydrophobicContact CG1-CD1 3.96Å
402I82.1Confident84.3Confident35 Ų3559.4 Ų59.418%0.17931%0.312CS..Hα-helixtrans-61.2-46.7176.1-67.3159.4000109.7L398 I399 R405 T406 Y487L398-I402 WeakPolarHBondContact O-CD1 3.43Å; L398-I402 VanDerWaalsContact O-CG1 3.26Å; L398-I402 WeakPolarHBondContact O-CG1 3.42Å; L398-I402 PolarHBondContact O-N 2.8Å; I399-I402 PolarHBondContact O-N 3.05Å; I402-R405 PolarHBondContact O-N 3.22Å; I402-T406 WeakPolarHBondContact O-CG2 3.49Å; I402-T406 PolarHBondContact O-N 3.42Å; I402-T406 PolarHBondContact O-OG1 2.91Å; I402-Y487 HydrophobicContact CD1-CD1 3.95Å; I402-Y487 HydrophobicContact CD1-CD2 4.23Å; I402-Y487 HydrophobicContact CD1-CE1 3.53Å; I402-Y487 HydrophobicContact CD1-CE2 3.85Å; I402-Y487 HydrophobicContact CD1-CG 4.28Å; I402-Y487 VanDerWaalsContact CD1-CZ 3.48Å; I402-Y487 HydrophobicContact CG1-CE1 4.19Å
403L84.3Confident83.5Confident36 Ų3659.8 Ų59.819%0.18830%0.303CS..Hα-helixtrans-60.8-46.7175.5-69173000111.2I399 A400 I401 R405 T406 I407 F506 I508I399-L403 HydrophobicContact CG2-CD1 3.96Å; I399-L403 HydrophobicContact CG2-CG 4.33Å; I399-L403 WeakPolarHBondContact O-CB 3.45Å; I399-L403 VanDerWaalsContact O-CG 3.26Å; I399-L403 WeakPolarHBondContact O-CG 3.18Å; I399-L403 PolarHBondContact O-N 2.84Å; A400-L403 PolarHBondContact O-N 3.21Å; I401-L403 VanDerWaalsContact C-N 3.34Å; L403-R405 VanDerWaalsContact C-N 3.35Å; L403-R405 PolarHBondContact O-N 3.03Å; L403-T406 WeakPolarHBondContact CA-OG1 3.39Å; L403-T406 PolarHBondContact O-N 3.45Å; L403-T406 PolarHBondContact O-OG1 2.88Å; L403-I407 WeakPolarHBondContact O-CB 3.48Å; L403-I407 VanDerWaalsContact O-CG1 3.25Å; L403-I407 WeakPolarHBondContact O-CG1 3.43Å; L403-I407 PolarHBondContact O-N 3.36Å; L403-F506 HydrophobicContact CD1-CD2 4.12Å; L403-I508 HydrophobicContact CD2-CD1 4.21Å
404Y87.1Confident82.8Confident96 Ų9665.8 Ų65.838%0.37633%0.325SS..Hα-helixtrans-54.1-49175.2167.3-99.9000112.2A400 I401 T406 I407 L408 A431 L434A400-Y404 WeakPolarHBondContact O-CB 3.35Å; A400-Y404 PolarHBondContact O-N 3.45Å; I401-Y404 WeakPolarHBondContact O-CB 3.28Å; I401-Y404 PolarHBondContact O-N 2.98Å; Y404-T406 PolarHBondContact O-N 3.49Å; Y404-I407 PolarHBondContact O-N 3.35Å; Y404-L408 HydrophobicContact CE1-CD2 4.13Å; Y404-L408 VanDerWaalsContact O-CB 3.3Å; Y404-L408 WeakPolarHBondContact O-CB 3.27Å; Y404-L408 PolarHBondContact O-N 3.39Å; Y404-A431 HydrophobicContact CD1-CB 4.38Å; Y404-A431 HydrophobicContact CE1-CB 4.49Å; Y404-L434 HydrophobicContact CD1-CD2 3.88Å; Y404-L434 HydrophobicContact CE1-CD2 3.96Å; Y404-L434 HydrophobicContact CG-CD2 4.23Å
405R83Confident82.2Confident70 Ų7068.1 Ų68.126%0.26434%0.342SS..Hα-helixtrans-59.9-46178.9-175.9-177179.4-154.94.1111.9I401 I402 L403 R409 S428 A431 E511I401-R405 WeakPolarHBondContact O-CB 3.26Å; I401-R405 PolarHBondContact O-N 2.98Å; I402-R405 PolarHBondContact O-N 3.22Å; L403-R405 VanDerWaalsContact C-N 3.35Å; L403-R405 PolarHBondContact O-N 3.03Å; R405-R409 WeakPolarHBondContact O-CB 3.39Å; R405-R409 PolarHBondContact O-N 3.44Å; R405-S428 PolarHBondContact NH2-OG 3.04Å; R405-A431 HydrophobicContact CB-CB 3.77Å; R405-A431 HydrophobicContact CG-CB 3.9Å; R405-E511 IonicContact CZ-OE1 3.61Å; R405-E511 IonicContact NH1-OE1 2.73Å; R405-E511 PolarHBondContact NH1-OE1 3.02Å; R405-E511 IonicContact NH1-OE2 3.09Å
406T78.3Confident80.9Confident27 Ų2772.5 Ų72.517%0.16637%0.368CS..Hα-helixtrans-65.6-42.6-179.357.80000111.9I402 L403 Y404 R409 V410I402-T406 WeakPolarHBondContact O-CG2 3.49Å; I402-T406 PolarHBondContact O-N 3.42Å; I402-T406 PolarHBondContact O-OG1 2.91Å; L403-T406 WeakPolarHBondContact CA-OG1 3.39Å; L403-T406 PolarHBondContact O-N 3.45Å; L403-T406 PolarHBondContact O-OG1 2.88Å; Y404-T406 PolarHBondContact O-N 3.49Å; T406-R409 PolarHBondContact O-N 3.39Å; T406-V410 WeakPolarHBondContact O-CG2 3.44Å; T406-V410 PolarHBondContact O-N 2.94Å
407I82.5Confident79.5Confident85 Ų8572.2 Ų72.244%0.43637%0.373SS..Hα-helixtrans-64.1-48.1177-66.7165.7000110.4L403 Y404 R409 V410 V411 I508L403-I407 WeakPolarHBondContact O-CB 3.48Å; L403-I407 VanDerWaalsContact O-CG1 3.25Å; L403-I407 WeakPolarHBondContact O-CG1 3.43Å; L403-I407 PolarHBondContact O-N 3.36Å; Y404-I407 PolarHBondContact O-N 3.35Å; I407-R409 VanDerWaalsContact C-N 3.27Å; I407-R409 PolarHBondContact O-N 2.8Å; I407-V410 PolarHBondContact O-N 3.47Å; I407-V410 VanDerWaalsContact O-N 3.1Å; I407-V411 HydrophobicContact CG2-CG2 4.27Å; I407-V411 WeakPolarHBondContact O-CG2 3.45Å; I407-V411 PolarHBondContact O-N 2.9Å; I407-I508 HydrophobicContact CD1-CD1 4.02Å; I407-I508 HydrophobicContact CG1-CD1 3.7Å
408L82.9Confident78.2Confident41 Ų4169.6 Ų69.622%0.21537%0.365CS..Hα-helixtrans-59.5-40.1-179.8-177.662.1000111.6Y404 V410 V411 L412 A427 S430Y404-L408 HydrophobicContact CE1-CD2 4.13Å; Y404-L408 VanDerWaalsContact O-CB 3.3Å; Y404-L408 WeakPolarHBondContact O-CB 3.27Å; Y404-L408 PolarHBondContact O-N 3.39Å; L408-V410 PolarHBondContact O-N 3.07Å; L408-V411 PolarHBondContact O-N 3.48Å; L408-L412 HydrophobicContact CD1-CD1 4.03Å; L408-L412 HydrophobicContact CD1-CG 4.23Å; L408-L412 HydrophobicContact CG-CD1 3.83Å; L408-L412 HydrophobicContact CG-CG 4.46Å; L408-L412 WeakPolarHBondContact O-CB 3.2Å; L408-L412 WeakPolarHBondContact O-CG 3.1Å; L408-L412 PolarHBondContact O-N 2.93Å; L408-A427 HydrophobicContact CB-CB 4.37Å; L408-A427 HydrophobicContact CD2-CB 4.08Å; L408-A427 HydrophobicContact CG-CB 4.11Å; L408-S430 WeakPolarHBondContact CD2-OG 2.99Å
409R76.2Confident77.1Confident109 Ų10974.5 Ų74.541%0.41139%0.391SS..Hα-helixtrans-61.3-43.4175.1-173.1179.6-178.4-178.51.7112.2R405 T406 I407 Y413 A427R405-R409 WeakPolarHBondContact O-CB 3.39Å; R405-R409 PolarHBondContact O-N 3.44Å; T406-R409 PolarHBondContact O-N 3.39Å; I407-R409 VanDerWaalsContact C-N 3.27Å; I407-R409 PolarHBondContact O-N 2.8Å; R409-Y413 VanDerWaalsContact O-CB 3.31Å; R409-Y413 WeakPolarHBondContact O-CB 3.34Å; R409-Y413 PolarHBondContact O-N 3.37Å; R409-A427 HydrophobicContact CB-CB 4.2Å
410V76.9Confident76.1Confident72 Ų7275.1 Ų75.144%0.43640%0.401SS..Hα-helixtrans-66.3-42.4178.2172.80000111.2I282 T406 I407 L408 Y413 K414I282-V410 HydrophobicContact CD1-CG1 4.22Å; T406-V410 WeakPolarHBondContact O-CG2 3.44Å; T406-V410 PolarHBondContact O-N 2.94Å; I407-V410 PolarHBondContact O-N 3.47Å; I407-V410 VanDerWaalsContact O-N 3.1Å; L408-V410 PolarHBondContact O-N 3.07Å; V410-Y413 PolarHBondContact O-N 2.91Å; V410-K414 PolarHBondContact O-N 2.68Å; V410-K414 VanDerWaalsContact O-N 3.08Å
411V80.8Confident74.9Confident89 Ų8976.1 Ų76.154%0.53941%0.409SS..Hα-helixtrans-64.5-46.5178.6172.30000111.3I407 L408 Y413 K414 S415I407-V411 HydrophobicContact CG2-CG2 4.27Å; I407-V411 WeakPolarHBondContact O-CG2 3.45Å; I407-V411 PolarHBondContact O-N 2.9Å; L408-V411 PolarHBondContact O-N 3.48Å; V411-Y413 VanDerWaalsContact C-N 3.34Å; V411-Y413 PolarHBondContact O-N 3.03Å; V411-K414 PolarHBondContact O-N 3.29Å; V411-S415 PolarHBondContact O-N 2.99Å; V411-S415 VanDerWaalsContact O-N 3.14Å
412L79Confident74.1Confident34 Ų3477.5 Ų77.518%0.17842%0.42CS..Hα-helixtrans-64-39.4178-77.5165.8000111.9L408 K414 S415 A423 I426 A427L408-L412 HydrophobicContact CD1-CD1 4.03Å; L408-L412 HydrophobicContact CD1-CG 4.23Å; L408-L412 HydrophobicContact CG-CD1 3.83Å; L408-L412 HydrophobicContact CG-CG 4.46Å; L408-L412 WeakPolarHBondContact O-CB 3.2Å; L408-L412 WeakPolarHBondContact O-CG 3.1Å; L408-L412 PolarHBondContact O-N 2.93Å; L412-K414 VanDerWaalsContact C-N 3.31Å; L412-K414 PolarHBondContact O-N 3.02Å; L412-S415 WeakPolarHBondContact O-CB 3.23Å; L412-S415 PolarHBondContact O-N 2.98Å; L412-S415 VanDerWaalsContact O-N 3.12Å; L412-A423 HydrophobicContact CB-CB 3.72Å; L412-I426 HydrophobicContact CD1-CB 4.4Å; L412-I426 HydrophobicContact CD1-CG2 4.11Å; L412-A427 HydrophobicContact CD1-CB 4.36Å
413Y72.4Confident73.6Confident83 Ų8375.9 Ų75.933%0.32541%0.412SS..Hα-helixtrans-64.4-35.1175.9-178.3-100.3000112.9I282 R409 V410 V411 S415I282-Y413 HydrophobicContact CB-CD1 4.09Å; I282-Y413 HydrophobicContact CB-CE1 3.69Å; I282-Y413 HydrophobicContact CG2-CD1 4.16Å; I282-Y413 HydrophobicContact CG2-CE1 3.56Å; I282-Y413 WeakPolarHBondContact O-CE1 3.28Å; I282-Y413 VanDerWaalsContact O-CZ 3.27Å; I282-Y413 PolarHBondContact O-OH 3.22Å; R409-Y413 VanDerWaalsContact O-CB 3.31Å; R409-Y413 WeakPolarHBondContact O-CB 3.34Å; R409-Y413 PolarHBondContact O-N 3.37Å; V410-Y413 PolarHBondContact O-N 2.91Å; V411-Y413 VanDerWaalsContact C-N 3.34Å; V411-Y413 PolarHBondContact O-N 3.03Å; Y413-S415 VanDerWaalsContact C-N 3.26Å; Y413-S415 PolarHBondContact O-N 2.95Å
414K75.1Confident73Confident174 Ų17475 Ų7576%0.75741%0.412SS*.Hα-helixtrans-73-20.7175.4-167.1175.4179.6-178.70112.3V410 V411 L412 T416V410-K414 PolarHBondContact O-N 2.68Å; V410-K414 VanDerWaalsContact O-N 3.08Å; V411-K414 PolarHBondContact O-N 3.29Å; L412-K414 VanDerWaalsContact C-N 3.31Å; L412-K414 PolarHBondContact O-N 3.02Å; K414-T416 PolarHBondContact O-N 3.4Å
415S76.4Confident72.3Confident53 Ų5374.3 Ų74.337%0.37142%0.418SS..SBendtrans-75.5111.8173.4-165.90000109.2V411 L412 Y413 T417 T418V411-S415 PolarHBondContact O-N 2.99Å; V411-S415 VanDerWaalsContact O-N 3.14Å; L412-S415 WeakPolarHBondContact O-CB 3.23Å; L412-S415 PolarHBondContact O-N 2.98Å; L412-S415 VanDerWaalsContact O-N 3.12Å; Y413-S415 VanDerWaalsContact C-N 3.26Å; Y413-S415 PolarHBondContact O-N 2.95Å; S415-T417 PolarHBondContact O-N 3.1Å; S415-T417 PolarHBondContact OG-OG1 3.23Å; S415-T418 PolarHBondContact O-N 3.25Å
416T59Low72.1Confident149 Ų14975 Ų7591%0.91443%0.426SS*.THydrogen-bonded Turntrans-60.8-4.2-174.136.20000115.5K414K414-T416 PolarHBondContact O-N 3.4Å
417T60.1Low72.2Confident120 Ų12073.8 Ų73.874%0.73642%0.418SS*.THydrogen-bonded Turntrans-94.6-8.7-177.447.20000114.4S415S415-T417 PolarHBondContact O-N 3.1Å; S415-T417 PolarHBondContact OG-OG1 3.23Å
418T60.5Low71.9Confident33 Ų3371.3 Ų71.320%0.20241%0.409CS..SBendtrans-127.6121.1-171-43.40000111.9S415 S422 A423 I426S415-T418 PolarHBondContact O-N 3.25Å; T418-S422 VanDerWaalsContact CG2-OG 3.26Å; T418-S422 WeakPolarHBondContact CG2-OG 3.33Å; T418-A423 HydrophobicContact CG2-CB 4.13Å; T418-I426 HydrophobicContact CG2-CD1 4.39Å
419D64.3Low71.7Confident127 Ų12774.4 Ų74.468%0.67942%0.424SS*.  trans-57.5152.4174.7-67.5-30000112.5A421 S422 A423D419-A421 PolarHBondContact O-N 3.48Å; D419-A421 VanDerWaalsContact O-N 3.14Å; D419-S422 PolarHBondContact N-OG 3.14Å; D419-S422 PolarHBondContact O-N 3.41Å; D419-S422 PolarHBondContact O-OG 3.37Å; D419-A423 WeakPolarHBondContact O-CB 3.42Å; D419-A423 PolarHBondContact O-N 3.34Å
420S64.1Low72Confident76 Ų7670.7 Ų70.753%0.53142%0.415SS..Hα-helixtrans-58.3-30.8-177.964.30000113.8G424S420-G424 PolarHBondContact O-N 3.46Å
421A62.4Low72.3Confident72 Ų7267.5 Ų67.560%0.59540%0.396SS*.Hα-helixtrans-76.7-42.4178.100000112.9D419 G424 T425D419-A421 PolarHBondContact O-N 3.48Å; D419-A421 VanDerWaalsContact O-N 3.14Å; A421-G424 PolarHBondContact O-N 3.26Å; A421-T425 PolarHBondContact O-N 2.68Å; A421-T425 PolarHBondContact O-OG1 3.25Å
422S69.6Low72Confident46 Ų4665.7 Ų65.732%0.32239%0.387SS..Hα-helixtrans-71.9-38.1178.2490000111.3T418 D419 G424 T425 I426T418-S422 VanDerWaalsContact CG2-OG 3.26Å; T418-S422 WeakPolarHBondContact CG2-OG 3.33Å; D419-S422 PolarHBondContact N-OG 3.14Å; D419-S422 PolarHBondContact O-N 3.41Å; D419-S422 PolarHBondContact O-OG 3.37Å; S422-G424 VanDerWaalsContact C-N 3.34Å; S422-G424 PolarHBondContact O-N 2.84Å; S422-T425 PolarHBondContact O-N 3.37Å; S422-I426 WeakPolarHBondContact O-CB 3.33Å; S422-I426 WeakPolarHBondContact O-CD1 3.44Å; S422-I426 VanDerWaalsContact O-CG1 3.24Å; S422-I426 WeakPolarHBondContact O-CG1 3.36Å; S422-I426 PolarHBondContact O-N 3.49Å
423A71.6Confident72.1Confident1 Ų167.8 Ų67.81%0.00840%0.402CS..Hα-helixtrans-58.2-43173.100000112.7L412 T418 D419 A427L412-A423 HydrophobicContact CB-CB 3.72Å; T418-A423 HydrophobicContact CG2-CB 4.13Å; D419-A423 WeakPolarHBondContact O-CB 3.42Å; D419-A423 PolarHBondContact O-N 3.34Å; A423-A427 VanDerWaalsContact O-CB 3.31Å; A423-A427 WeakPolarHBondContact O-CB 3.41Å; A423-A427 PolarHBondContact O-N 3.4Å; A423-A427 VanDerWaalsContact O-N 3.11Å
424G71.2Confident72.7Confident18 Ų1866.7 Ų66.719%0.18640%0.401CS..Hα-helixtrans-65.9-40.517700000113.1S420 A421 S422 S428S420-G424 PolarHBondContact O-N 3.46Å; A421-G424 PolarHBondContact O-N 3.26Å; S422-G424 VanDerWaalsContact C-N 3.34Å; S422-G424 PolarHBondContact O-N 2.84Å; G424-S428 WeakPolarHBondContact O-CB 3.26Å; G424-S428 PolarHBondContact O-N 3.44Å
425T72.8Confident73Confident81 Ų8159 Ų5950%0.49737%0.368SS..Hα-helixtrans-68.6-47.3-179.9-54.40000111.3A421 S422 A427 S428 I429A421-T425 PolarHBondContact O-N 2.68Å; A421-T425 PolarHBondContact O-OG1 3.25Å; S422-T425 PolarHBondContact O-N 3.37Å; T425-A427 PolarHBondContact O-N 3.08Å; T425-S428 PolarHBondContact O-N 3.3Å; T425-I429 HydrophobicContact CG2-CD1 3.91Å; T425-I429 WeakPolarHBondContact O-CG1 3.48Å; T425-I429 PolarHBondContact O-N 3.44Å
426I79Confident73Confident86 Ų8660 Ų6044%0.44137%0.369SS..Hα-helixtrans-59.7-47.1177.8-67.5164.5000110.6L412 T418 S422 S428 I429 S430L412-I426 HydrophobicContact CD1-CB 4.4Å; L412-I426 HydrophobicContact CD1-CG2 4.11Å; T418-I426 HydrophobicContact CG2-CD1 4.39Å; S422-I426 WeakPolarHBondContact O-CB 3.33Å; S422-I426 WeakPolarHBondContact O-CD1 3.44Å; S422-I426 VanDerWaalsContact O-CG1 3.24Å; S422-I426 WeakPolarHBondContact O-CG1 3.36Å; S422-I426 PolarHBondContact O-N 3.49Å; I426-S428 VanDerWaalsContact C-N 3.27Å; I426-S428 PolarHBondContact O-N 3.01Å; I426-I429 PolarHBondContact O-N 2.87Å; I426-S430 WeakPolarHBondContact O-CB 3.48Å; I426-S430 PolarHBondContact O-N 3.37Å; I426-S430 PolarHBondContact O-OG 3.16Å
427A79Confident74.2Confident1 Ų157.5 Ų57.51%0.00835%0.349CS..Hα-helixtrans-63.8-32.8178.700000112.8L408 R409 L412 A423 T425 S430 A431L408-A427 HydrophobicContact CB-CB 4.37Å; L408-A427 HydrophobicContact CD2-CB 4.08Å; L408-A427 HydrophobicContact CG-CB 4.11Å; R409-A427 HydrophobicContact CB-CB 4.2Å; L412-A427 HydrophobicContact CD1-CB 4.36Å; A423-A427 VanDerWaalsContact O-CB 3.31Å; A423-A427 WeakPolarHBondContact O-CB 3.41Å; A423-A427 PolarHBondContact O-N 3.4Å; A423-A427 VanDerWaalsContact O-N 3.11Å; T425-A427 PolarHBondContact O-N 3.08Å; A427-S430 PolarHBondContact O-OG 2.87Å; A427-A431 VanDerWaalsContact O-CB 3.22Å; A427-A431 WeakPolarHBondContact O-CB 3.3Å; A427-A431 PolarHBondContact O-N 3.26Å
428S77.1Confident75.4Confident33 Ų3353.4 Ų53.423%0.23132%0.322CS..Hα-helixtrans-70.7-46.9176.1-154.90000111.7R405 G424 T425 I426 A431 S432R405-S428 PolarHBondContact NH2-OG 3.04Å; G424-S428 WeakPolarHBondContact O-CB 3.26Å; G424-S428 PolarHBondContact O-N 3.44Å; T425-S428 PolarHBondContact O-N 3.3Å; I426-S428 VanDerWaalsContact C-N 3.27Å; I426-S428 PolarHBondContact O-N 3.01Å; S428-A431 PolarHBondContact O-N 3.19Å; S428-S432 PolarHBondContact O-N 3Å; S428-S432 PolarHBondContact O-OG 2.99Å; S428-S432 VanDerWaalsContact O-OG 3.1Å
429I78.6Confident76.5Confident105 Ų10552.5 Ų52.554%0.53832%0.316SS..Hα-helixtrans-63.4-46.1-180-66.6168.9000110.4T425 I426 A431 S432 V433T425-I429 HydrophobicContact CG2-CD1 3.91Å; T425-I429 WeakPolarHBondContact O-CG1 3.48Å; T425-I429 PolarHBondContact O-N 3.44Å; I426-I429 PolarHBondContact O-N 2.87Å; I429-A431 VanDerWaalsContact C-N 3.35Å; I429-A431 PolarHBondContact O-N 3.33Å; I429-S432 PolarHBondContact O-N 3.39Å; I429-V433 HydrophobicContact CG2-CG2 4.5Å; I429-V433 WeakPolarHBondContact O-CG2 3.46Å; I429-V433 PolarHBondContact O-N 2.58Å
430S83.4Confident77.4Confident32 Ų3251.2 Ų51.222%0.22431%0.308CS..Hα-helixtrans-62.8-41179.266.30000112.3L408 I426 A427 V433 L434L408-S430 WeakPolarHBondContact CD2-OG 2.99Å; I426-S430 WeakPolarHBondContact O-CB 3.48Å; I426-S430 PolarHBondContact O-N 3.37Å; I426-S430 PolarHBondContact O-OG 3.16Å; A427-S430 PolarHBondContact O-OG 2.87Å; S430-V433 PolarHBondContact O-N 3.09Å; S430-L434 WeakPolarHBondContact O-CB 3.39Å; S430-L434 PolarHBondContact O-N 2.95Å
431A82Confident78.4Confident4 Ų451.2 Ų51.23%0.03331%0.305CS..Hα-helixtrans-65.1-41.2176.200000112.2I401 Y404 R405 A427 S428 I429 L434 N435I401-A431 HydrophobicContact CG2-CB 4.36Å; Y404-A431 HydrophobicContact CD1-CB 4.38Å; Y404-A431 HydrophobicContact CE1-CB 4.49Å; R405-A431 HydrophobicContact CB-CB 3.77Å; R405-A431 HydrophobicContact CG-CB 3.9Å; A427-A431 VanDerWaalsContact O-CB 3.22Å; A427-A431 WeakPolarHBondContact O-CB 3.3Å; A427-A431 PolarHBondContact O-N 3.26Å; S428-A431 PolarHBondContact O-N 3.19Å; I429-A431 VanDerWaalsContact C-N 3.35Å; I429-A431 PolarHBondContact O-N 3.33Å; A431-L434 PolarHBondContact O-N 3.41Å; A431-N435 VanDerWaalsContact O-CB 3.3Å; A431-N435 WeakPolarHBondContact O-CB 3.44Å; A431-N435 PolarHBondContact O-N 3.41Å
432S75.6Confident79.6Confident51 Ų5148.8 Ų48.836%0.35728%0.282SS..Hα-helixtrans-63.9-41.6175.7-64.70000112.2S428 I429 N435 L436S428-S432 PolarHBondContact O-N 3Å; S428-S432 PolarHBondContact O-OG 2.99Å; S428-S432 VanDerWaalsContact O-OG 3.1Å; I429-S432 PolarHBondContact O-N 3.39Å; S432-N435 PolarHBondContact O-N 2.95Å; S432-L436 PolarHBondContact O-N 2.93Å
433V80Confident80.5Confident79 Ų7947.2 Ų47.248%0.47927%0.271SS..Hα-helixtrans-64.8-45.2175.7172.50000111.3I429 S430 N435 L436 I437I429-V433 HydrophobicContact CG2-CG2 4.5Å; I429-V433 WeakPolarHBondContact O-CG2 3.46Å; I429-V433 PolarHBondContact O-N 2.58Å; S430-V433 PolarHBondContact O-N 3.09Å; V433-N435 VanDerWaalsContact C-N 3.34Å; V433-N435 PolarHBondContact O-N 3.48Å; V433-L436 PolarHBondContact O-N 3.08Å; V433-I437 HydrophobicContact CG1-CD1 4.08Å; V433-I437 WeakPolarHBondContact O-CG1 3.33Å; V433-I437 PolarHBondContact O-N 3.32Å
434L85.1Confident81.3Confident59 Ų5957.1 Ų57.131%0.30931%0.309SS..Hα-helixtrans-61.5-43.2176.9-178.762.6000111.5Y404 S430 A431 L436 I437 I438Y404-L434 HydrophobicContact CD1-CD2 3.88Å; Y404-L434 HydrophobicContact CE1-CD2 3.96Å; Y404-L434 HydrophobicContact CG-CD2 4.23Å; S430-L434 WeakPolarHBondContact O-CB 3.39Å; S430-L434 PolarHBondContact O-N 2.95Å; A431-L434 PolarHBondContact O-N 3.41Å; L434-L436 VanDerWaalsContact C-N 3.34Å; L434-L436 PolarHBondContact O-N 3.33Å; L434-I437 PolarHBondContact O-N 3.46Å; L434-I438 HydrophobicContact CD1-CD1 4.17Å; L434-I438 HydrophobicContact CG-CD1 3.96Å; L434-I438 WeakPolarHBondContact O-CG1 3.37Å; L434-I438 PolarHBondContact O-N 3.45Å
435N81.9Confident82.2Confident14 Ų1461 Ų618%0.07532%0.324CS..Hα-helixtrans-57.7-46.3175.1-174.349.5000111.5I401 A431 S432 V433 I437 I438 I439I401-N435 HydrophobicContact CD1-CB 3.91Å; I401-N435 VanDerWaalsContact CD1-OD1 3.24Å; I401-N435 WeakPolarHBondContact CD1-OD1 3.46Å; I401-N435 HydrophobicContact CG2-CB 4.35Å; A431-N435 VanDerWaalsContact O-CB 3.3Å; A431-N435 WeakPolarHBondContact O-CB 3.44Å; A431-N435 PolarHBondContact O-N 3.41Å; S432-N435 PolarHBondContact O-N 2.95Å; V433-N435 VanDerWaalsContact C-N 3.34Å; V433-N435 PolarHBondContact O-N 3.48Å; N435-I437 PolarHBondContact O-N 3.35Å; N435-I438 PolarHBondContact O-N 2.82Å; N435-I439 WeakPolarHBondContact ND2-CD1 3.15Å; N435-I439 WeakPolarHBondContact O-CB 3.35Å; N435-I439 VanDerWaalsContact O-CG1 3.29Å; N435-I439 WeakPolarHBondContact O-CG1 3.4Å; N435-I439 PolarHBondContact O-N 3.08Å
436L76.9Confident83.1Confident74 Ų7457.2 Ų57.239%0.38730%0.301SS..Hα-helixtrans-59.7-46177.6-178.163.1000111.9S432 V433 L434 I438 I439 L440S432-L436 PolarHBondContact O-N 2.93Å; V433-L436 PolarHBondContact O-N 3.08Å; L434-L436 VanDerWaalsContact C-N 3.34Å; L434-L436 PolarHBondContact O-N 3.33Å; L436-I438 VanDerWaalsContact C-N 3.33Å; L436-I438 PolarHBondContact O-N 3.2Å; L436-I439 PolarHBondContact O-N 3.33Å; L436-L440 HydrophobicContact CD1-CD1 4.27Å; L436-L440 HydrophobicContact CD1-CG 4.3Å; L436-L440 HydrophobicContact CG-CD1 4.13Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.49Å; L436-L440 PolarHBondContact O-N 3.36Å
437I82.6Confident83.7Confident95 Ų9555.1 Ų55.149%0.48729%0.292SS..Hα-helixtrans-60.6-43178.3-68168.1000111.2V433 L434 N435 T441V433-I437 HydrophobicContact CG1-CD1 4.08Å; V433-I437 WeakPolarHBondContact O-CG1 3.33Å; V433-I437 PolarHBondContact O-N 3.32Å; L434-I437 PolarHBondContact O-N 3.46Å; N435-I437 PolarHBondContact O-N 3.35Å; I437-T441 WeakPolarHBondContact O-CB 3.38Å; I437-T441 PolarHBondContact O-N 3.28Å; I437-T441 PolarHBondContact O-OG1 3.03Å
438I85.6Confident84.2Confident34 Ų3458.7 Ų58.717%0.17432%0.317CS..Hα-helixtrans-63.9-48.8178.2-70.8166.7000110.5F397 I401 L434 N435 L436 L440 T441 L442F397-I438 HydrophobicContact CB-CG2 4.37Å; F397-I438 HydrophobicContact CD1-CG2 4.41Å; F397-I438 HydrophobicContact CG-CG2 4.31Å; I401-I438 HydrophobicContact CD1-CD1 3.78Å; I401-I438 HydrophobicContact CG1-CD1 3.96Å; L434-I438 HydrophobicContact CD1-CD1 4.17Å; L434-I438 HydrophobicContact CG-CD1 3.96Å; L434-I438 WeakPolarHBondContact O-CG1 3.37Å; L434-I438 PolarHBondContact O-N 3.45Å; N435-I438 PolarHBondContact O-N 2.82Å; L436-I438 VanDerWaalsContact C-N 3.33Å; L436-I438 PolarHBondContact O-N 3.2Å; I438-L440 VanDerWaalsContact C-N 3.33Å; I438-L440 PolarHBondContact O-N 2.84Å; I438-T441 PolarHBondContact O-N 3.48Å; I438-L442 HydrophobicContact CG2-CD1 3.63Å; I438-L442 HydrophobicContact CG2-CG 4.17Å; I438-L442 WeakPolarHBondContact O-CB 3.16Å; I438-L442 WeakPolarHBondContact O-CG 3.37Å; I438-L442 PolarHBondContact O-N 3.04Å
439I84.3Confident84.9Confident15 Ų1560 Ų608%0.07732%0.321CS..Hα-helixtrans-55.9-47.3178.4-73.9170.6000110.9N435 L436 S443 N480 F481N435-I439 WeakPolarHBondContact ND2-CD1 3.15Å; N435-I439 WeakPolarHBondContact O-CB 3.35Å; N435-I439 VanDerWaalsContact O-CG1 3.29Å; N435-I439 WeakPolarHBondContact O-CG1 3.4Å; N435-I439 PolarHBondContact O-N 3.08Å; L436-I439 PolarHBondContact O-N 3.33Å; I439-S443 VanDerWaalsContact O-CB 3.25Å; I439-S443 WeakPolarHBondContact O-CB 3.41Å; I439-S443 PolarHBondContact O-N 3.15Å; I439-S443 PolarHBondContact O-OG 3.43Å; I439-N480 PolarHBondContact O-ND2 3.37Å; I439-N480 VanDerWaalsContact O-ND2 3.16Å; I439-F481 HydrophobicContact CG2-CD1 3.94Å; I439-F481 HydrophobicContact CG2-CE1 3.49Å; I439-F481 VanDerWaalsContact CG2-CE1 3.49Å; I439-F481 HydrophobicContact CG2-CZ 3.8Å
440L82.3Confident85.6Confident99 Ų9955.1 Ų55.152%0.51830%0.296SS..Hα-helixtrans-66.2-41.3180-68.3175.4000112.3L436 I438 S443 R444L436-L440 HydrophobicContact CD1-CD1 4.27Å; L436-L440 HydrophobicContact CD1-CG 4.3Å; L436-L440 HydrophobicContact CG-CD1 4.13Å; L436-L440 VanDerWaalsContact O-CG 3.29Å; L436-L440 WeakPolarHBondContact O-CG 3.49Å; L436-L440 PolarHBondContact O-N 3.36Å; I438-L440 VanDerWaalsContact C-N 3.33Å; I438-L440 PolarHBondContact O-N 2.84Å; L440-S443 WeakPolarHBondContact O-CB 3.19Å; L440-R444 PolarHBondContact O-N 2.7Å
441T86.2Confident86Confident76 Ų7654 Ų5447%0.46629%0.289SS..Hα-helixtrans-66.9-49-179.9-56.80000111.1I437 I438 S443 R444 I445I437-T441 WeakPolarHBondContact O-CB 3.38Å; I437-T441 PolarHBondContact O-N 3.28Å; I437-T441 PolarHBondContact O-OG1 3.03Å; I438-T441 PolarHBondContact O-N 3.48Å; T441-S443 VanDerWaalsContact C-N 3.32Å; T441-S443 PolarHBondContact O-N 2.86Å; T441-R444 PolarHBondContact O-N 3.25Å; T441-I445 HydrophobicContact CG2-CD1 4.08Å; T441-I445 WeakPolarHBondContact O-CG1 3.4Å; T441-I445 PolarHBondContact O-N 3.33Å; T441-I445 VanDerWaalsContact O-N 3.17Å
442L87.9Confident86.4Confident21 Ų2158.1 Ų58.111%0.1131%0.31CS..Hα-helixtrans-62.5-39.6178.8-72.5177.7000111.8F397 I438 R444 I445 Y446 F476F397-L442 HydrophobicContact CD2-CD1 3.85Å; F397-L442 HydrophobicContact CE2-CD1 4.14Å; F397-L442 HydrophobicContact CE2-CD2 4.16Å; F397-L442 HydrophobicContact CG-CD1 4.49Å; I438-L442 HydrophobicContact CG2-CD1 3.63Å; I438-L442 HydrophobicContact CG2-CG 4.17Å; I438-L442 WeakPolarHBondContact O-CB 3.16Å; I438-L442 WeakPolarHBondContact O-CG 3.37Å; I438-L442 PolarHBondContact O-N 3.04Å; L442-R444 VanDerWaalsContact C-N 3.31Å; L442-R444 PolarHBondContact O-N 3.45Å; L442-I445 PolarHBondContact O-N 2.88Å; L442-Y446 WeakPolarHBondContact O-CB 3.15Å; L442-Y446 PolarHBondContact O-N 3.07Å; L442-F476 HydrophobicContact CB-CZ 4.03Å
443S88.4Confident87.2Confident13 Ų1356.7 Ų56.79%0.09130%0.298CS..Hα-helixtrans-54-46.1174.4-70.50000112.7I439 L440 T441 T447 Q477 N480I439-S443 VanDerWaalsContact O-CB 3.25Å; I439-S443 WeakPolarHBondContact O-CB 3.41Å; I439-S443 PolarHBondContact O-N 3.15Å; I439-S443 PolarHBondContact O-OG 3.43Å; L440-S443 WeakPolarHBondContact O-CB 3.19Å; T441-S443 VanDerWaalsContact C-N 3.32Å; T441-S443 PolarHBondContact O-N 2.86Å; S443-T447 WeakPolarHBondContact O-CB 3.33Å; S443-T447 PolarHBondContact O-N 3.24Å; S443-T447 PolarHBondContact O-OG1 3.32Å; S443-Q477 PolarHBondContact OG-NE2 3.06Å; S443-Q477 VanDerWaalsContact OG-NE2 3.15Å; S443-Q477 PolarHBondContact OG-OE1 3.23Å; S443-Q477 VanDerWaalsContact OG-OE1 3.07Å; S443-N480 PolarHBondContact OG-ND2 3.02Å
444R87.5Confident87.8Confident210 Ų21053 Ų5379%0.79228%0.275SS*.Hα-helixtrans-68.2-44.7-179.1-170.3177.6-179.998.92.5111.9L440 T441 L442 S448L440-R444 PolarHBondContact O-N 2.7Å; T441-R444 PolarHBondContact O-N 3.25Å; L442-R444 VanDerWaalsContact C-N 3.31Å; L442-R444 PolarHBondContact O-N 3.45Å; R444-S448 PolarHBondContact O-N 2.92Å
445I91Very high88.1Confident98 Ų9856 Ų5650%0.50328%0.283SS..Hα-helixtrans-60.9-48.2178.5-66.4169.4000110.1T441 L442 S448 L449T441-I445 HydrophobicContact CG2-CD1 4.08Å; T441-I445 WeakPolarHBondContact O-CG1 3.4Å; T441-I445 PolarHBondContact O-N 3.33Å; T441-I445 VanDerWaalsContact O-N 3.17Å; L442-I445 PolarHBondContact O-N 2.88Å; I445-S448 PolarHBondContact O-N 3.37Å; I445-L449 PolarHBondContact O-N 3.27Å
446Y90.9Very high88.4Confident3 Ų360.8 Ų60.81%0.01230%0.3CS..Hα-helixtrans-66.5-42.5-177.2-175-86.2000112.6I387 M390 L442 S448 L449 A450 K472 V473 F476I387-Y446 WeakPolarHBondContact CG1-OH 3.33Å; M390-Y446 HydrophobicContact CB-CD2 4.09Å; M390-Y446 HydrophobicContact CB-CE2 3.96Å; M390-Y446 HydrophobicContact CE-CD2 4.25Å; M390-Y446 HydrophobicContact CG-CD2 4.16Å; M390-Y446 HydrophobicContact CG-CE2 4.2Å; L442-Y446 WeakPolarHBondContact O-CB 3.15Å; L442-Y446 PolarHBondContact O-N 3.07Å; Y446-S448 VanDerWaalsContact C-N 3.25Å; Y446-S448 PolarHBondContact O-N 2.74Å; Y446-L449 PolarHBondContact O-N 3.36Å; Y446-L449 VanDerWaalsContact O-N 3.11Å; Y446-A450 HydrophobicContact CD1-CB 4.33Å; Y446-A450 HydrophobicContact CE1-CB 3.97Å; Y446-A450 WeakPolarHBondContact O-CB 3.44Å; Y446-A450 PolarHBondContact O-N 3.24Å; Y446-K472 WeakPolarHBondContact CE1-O 3.48Å; Y446-K472 PolarHBondContact OH-O 2.74Å; Y446-V473 HydrophobicContact CE1-CG2 4.43Å; Y446-F476 HydrophobicContact CD1-CB 3.52Å; Y446-F476 AromaticContact CD1-CD1 3.53Å; Y446-F476 HydrophobicContact CD1-CD1 3.53Å; Y446-F476 HydrophobicContact CD1-CD2 4.34Å; Y446-F476 HydrophobicContact CD1-CE1 4.39Å; Y446-F476 AromaticContact CD1-CG 3.51Å; Y446-F476 HydrophobicContact CD1-CG 3.51Å; Y446-F476 HydrophobicContact CD2-CB 3.94Å; Y446-F476 AromaticContact CD2-CD1 4Å; Y446-F476 HydrophobicContact CD2-CD1 4Å; Y446-F476 AromaticContact CD2-CD2 3.43Å; Y446-F476 HydrophobicContact CD2-CD2 3.43Å; Y446-F476 VanDerWaalsContact CD2-CD2 3.43Å; Y446-F476 HydrophobicContact CD2-CE1 4.43Å; Y446-F476 AromaticContact CD2-CE2 3.91Å; Y446-F476 HydrophobicContact CD2-CE2 3.91Å; Y446-F476 AromaticContact CD2-CG 3.48Å; Y446-F476 HydrophobicContact CD2-CG 3.48Å; Y446-F476 VanDerWaalsContact CD2-CG 3.48Å; Y446-F476 HydrophobicContact CD2-CZ 4.39Å; Y446-F476 HydrophobicContact CE1-CB 3.28Å; Y446-F476 HydrophobicContact CE1-CD1 4.24Å; Y446-F476 AromaticContact CE1-CG 3.81Å; Y446-F476 HydrophobicContact CE1-CG 3.81Å; Y446-F476 HydrophobicContact CE2-CB 3.69Å; Y446-F476 AromaticContact CE2-CD2 3.71Å; Y446-F476 HydrophobicContact CE2-CD2 3.71Å; Y446-F476 AromaticContact CE2-CG 3.74Å; Y446-F476 HydrophobicContact CE2-CG 3.74Å; Y446-F476 HydrophobicContact CG-CB 3.83Å; Y446-F476 AromaticContact CG-CD1 3.38Å; Y446-F476 HydrophobicContact CG-CD1 3.38Å; Y446-F476 AromaticContact CG-CD2 3.75Å; Y446-F476 HydrophobicContact CG-CD2 3.75Å; Y446-F476 AromaticContact CG-CE1 3.86Å; Y446-F476 HydrophobicContact CG-CE1 3.86Å; Y446-F476 HydrophobicContact CG-CE2 4.18Å; Y446-F476 AromaticContact CG-CG 3.33Å; Y446-F476 HydrophobicContact CG-CG 3.33Å; Y446-F476 HydrophobicContact CG-CZ 4.23Å; Y446-F476 AromaticContact CZ-CG 3.87Å
447T90.8Very high89.1Confident42 Ų4257.3 Ų57.326%0.25828%0.281SS..Hα-helixtrans-59.7-39.9179.4-54.70000111.2S443 G451 F469 V473S443-T447 WeakPolarHBondContact O-CB 3.33Å; S443-T447 PolarHBondContact O-N 3.24Å; S443-T447 PolarHBondContact O-OG1 3.32Å; T447-G451 PolarHBondContact O-N 2.84Å; T447-G451 VanDerWaalsContact O-N 3.15Å; T447-F469 HydrophobicContact CG2-CZ 4.04Å; T447-V473 HydrophobicContact CG2-CG2 4.43Å
448S90.3Very high89.5Confident76 Ų7654.1 Ų54.153%0.53127%0.265SS..Hα-helixtrans-63.7-47173.7-174.20000112R444 I445 Y446 A450 G451 I452R444-S448 PolarHBondContact O-N 2.92Å; I445-S448 PolarHBondContact O-N 3.37Å; Y446-S448 VanDerWaalsContact C-N 3.25Å; Y446-S448 PolarHBondContact O-N 2.74Å; S448-A450 PolarHBondContact O-N 3.17Å; S448-G451 PolarHBondContact O-N 3.26Å; S448-I452 WeakPolarHBondContact O-CG1 3.19Å; S448-I452 PolarHBondContact O-N 3.16Å; S448-I452 VanDerWaalsContact O-N 3.12Å
449L92.2Very high89.7Confident61 Ų6153.3 Ų53.332%0.31926%0.26SS..Hα-helixtrans-60.7-43.2178-177.563.5000112.1V386 M390 I445 Y446 G451 I452 L453V386-L449 HydrophobicContact CG1-CD2 4Å; M390-L449 HydrophobicContact CG-CD2 4.46Å; I445-L449 PolarHBondContact O-N 3.27Å; Y446-L449 PolarHBondContact O-N 3.36Å; Y446-L449 VanDerWaalsContact O-N 3.11Å; L449-G451 VanDerWaalsContact C-N 3.3Å; L449-G451 PolarHBondContact O-N 3.3Å; L449-I452 PolarHBondContact O-N 3.05Å; L449-L453 WeakPolarHBondContact O-CB 3.42Å; L449-L453 PolarHBondContact O-N 3.31Å
450A93.1Very high89.9Confident2 Ų256.6 Ų56.62%0.01727%0.272CS..Hα-helixtrans-61.3-38.6177.300000111.7Y446 S448 L453 T454 F469 K472 V473Y446-A450 HydrophobicContact CD1-CB 4.33Å; Y446-A450 HydrophobicContact CE1-CB 3.97Å; Y446-A450 WeakPolarHBondContact O-CB 3.44Å; Y446-A450 PolarHBondContact O-N 3.24Å; S448-A450 PolarHBondContact O-N 3.17Å; A450-L453 PolarHBondContact O-N 2.66Å; A450-T454 WeakPolarHBondContact O-CB 3.22Å; A450-T454 PolarHBondContact O-N 3.24Å; A450-T454 PolarHBondContact O-OG1 3.31Å; A450-F469 HydrophobicContact CB-CD2 4.27Å; A450-F469 HydrophobicContact CB-CE2 4.15Å; A450-K472 HydrophobicContact CB-CB 4.46Å; A450-V473 HydrophobicContact CB-CG2 3.6Å
451G91Very high90.2Very high7 Ų752.1 Ų52.17%0.07225%0.249CC..Hα-helixtrans-63.7-43.4174.100000112.6T447 S448 L449 R455T447-G451 PolarHBondContact O-N 2.84Å; T447-G451 VanDerWaalsContact O-N 3.15Å; S448-G451 PolarHBondContact O-N 3.26Å; L449-G451 VanDerWaalsContact C-N 3.3Å; L449-G451 PolarHBondContact O-N 3.3Å; G451-R455 WeakPolarHBondContact O-CG 3.35Å; G451-R455 PolarHBondContact O-N 3.07Å; G451-R455 VanDerWaalsContact O-N 3.14Å
452I91.1Very high90.3Very high91 Ų9151.8 Ų51.847%0.46724%0.242SC..Hα-helixtrans-62.9-46.5176.2-65166.2000110.6S448 L449 R455 W456S448-I452 WeakPolarHBondContact O-CG1 3.19Å; S448-I452 PolarHBondContact O-N 3.16Å; S448-I452 VanDerWaalsContact O-N 3.12Å; L449-I452 PolarHBondContact O-N 3.05Å; I452-R455 PolarHBondContact O-N 2.9Å; I452-W456 PolarHBondContact O-N 2.59Å; I452-W456 VanDerWaalsContact O-N 3.15Å
453L92.6Very high90.4Very high22 Ų2252.3 Ų52.312%0.11525%0.246CC..Hα-helixtrans-64.6-44.2-177.9-177.565.5000111.9G383 I387 L449 A450 R455 W456 E457 K472G383-L453 VanDerWaalsContact CA-CD1 3.47Å; G383-L453 VanDerWaalsContact CA-CD2 3.44Å; I387-L453 HydrophobicContact CD1-CD2 4.41Å; I387-L453 HydrophobicContact CG1-CD2 4.39Å; L449-L453 WeakPolarHBondContact O-CB 3.42Å; L449-L453 PolarHBondContact O-N 3.31Å; A450-L453 PolarHBondContact O-N 2.66Å; L453-R455 VanDerWaalsContact C-N 3.33Å; L453-R455 PolarHBondContact O-N 2.78Å; L453-W456 HydrophobicContact CD1-CE3 3.99Å; L453-W456 HydrophobicContact CD1-CZ3 4.41Å; L453-W456 WeakPolarHBondContact O-CB 3.19Å; L453-W456 PolarHBondContact O-N 2.78Å; L453-W456 VanDerWaalsContact O-N 3.08Å; L453-E457 WeakPolarHBondContact O-CG 3.42Å; L453-E457 PolarHBondContact O-N 2.8Å; L453-E457 VanDerWaalsContact O-N 3.12Å; L453-K472 HydrophobicContact CD2-CD 4.19Å
454T93.1Very high90.6Very high0 Ų057.4 Ų57.40%027%0.267CS..Hα-helixtrans-68.6-33.5-178.5-48.10000111.7A450 W456 E457 Y465 M468 F469A450-T454 WeakPolarHBondContact O-CB 3.22Å; A450-T454 PolarHBondContact O-N 3.24Å; A450-T454 PolarHBondContact O-OG1 3.31Å; T454-W456 VanDerWaalsContact C-N 3.31Å; T454-W456 PolarHBondContact O-N 3.2Å; T454-E457 PolarHBondContact O-N 2.95Å; T454-Y465 HydrophobicContact CG2-CD2 3.62Å; T454-Y465 HydrophobicContact CG2-CE2 3.67Å; T454-Y465 HydrophobicContact CG2-CG 4.38Å; T454-M468 HydrophobicContact CG2-CB 4.19Å; T454-F469 HydrophobicContact CG2-CB 4.08Å
455R89.6Confident90.8Very high124 Ų12448.9 Ų48.947%0.46823%0.234SC..Hα-helixtrans-63.5-38170.2-74.3-169.2-61.5-91.73.7111.8G451 I452 L453 E457 M458 Y465G451-R455 WeakPolarHBondContact O-CG 3.35Å; G451-R455 PolarHBondContact O-N 3.07Å; G451-R455 VanDerWaalsContact O-N 3.14Å; I452-R455 PolarHBondContact O-N 2.9Å; L453-R455 VanDerWaalsContact C-N 3.33Å; L453-R455 PolarHBondContact O-N 2.78Å; R455-E457 VanDerWaalsContact C-N 3.32Å; R455-E457 PolarHBondContact O-N 3.46Å; R455-M458 PolarHBondContact O-N 3.36Å; R455-Y465 HydrophobicContact CG-CE2 3.87Å
456W89.6Confident90.8Very high114 Ų11446.4 Ų46.443%0.43222%0.221SC..Hα-helixtrans-68-28.8178.4-177.772000113.8R379 T382 I452 L453 T454 M458R379-W456 VanDerWaalsContact CA-CZ3 3.5Å; R379-W456 HydrophobicContact CB-CD2 4.38Å; R379-W456 HydrophobicContact CB-CE3 3.87Å; R379-W456 HydrophobicContact CB-CH2 3.75Å; R379-W456 HydrophobicContact CB-CZ2 4.24Å; R379-W456 HydrophobicContact CB-CZ3 3.55Å; R379-W456 WeakPolarHBondContact CD-O 3.27Å; R379-W456 HydrophobicContact CG-CD2 4.3Å; R379-W456 HydrophobicContact CG-CE3 4.22Å; R379-W456 HydrophobicContact CG-CH2 3.61Å; R379-W456 HydrophobicContact CG-CZ2 3.65Å; R379-W456 HydrophobicContact CG-CZ3 3.92Å; R379-W456 PolarHBondContact NH1-O 3.29Å; R379-W456 WeakPolarHBondContact O-CZ3 3.3Å; T382-W456 HydrophobicContact CG2-CH2 4.17Å; T382-W456 HydrophobicContact CG2-CZ3 4.28Å; I452-W456 PolarHBondContact O-N 2.59Å; I452-W456 VanDerWaalsContact O-N 3.15Å; L453-W456 HydrophobicContact CD1-CE3 3.99Å; L453-W456 HydrophobicContact CD1-CZ3 4.41Å; L453-W456 WeakPolarHBondContact O-CB 3.19Å; L453-W456 PolarHBondContact O-N 2.78Å; L453-W456 VanDerWaalsContact O-N 3.08Å; T454-W456 VanDerWaalsContact C-N 3.31Å; T454-W456 PolarHBondContact O-N 3.2Å; W456-M458 VanDerWaalsContact C-N 3.26Å; W456-M458 PolarHBondContact O-N 2.77Å
457E91.3Very high90.9Very high0 Ų047.8 Ų47.80%023%0.228CC..Hα-helixtrans-68-17.3176.8-71.4175.2-178.900114.2L453 T454 R455 H459 K472L453-E457 WeakPolarHBondContact O-CG 3.42Å; L453-E457 PolarHBondContact O-N 2.8Å; L453-E457 VanDerWaalsContact O-N 3.12Å; T454-E457 PolarHBondContact O-N 2.95Å; R455-E457 VanDerWaalsContact C-N 3.32Å; R455-E457 PolarHBondContact O-N 3.46Å; E457-H459 IonicContact OE2-CD2 3.89Å; E457-H459 IonicContact OE2-CE1 3.44Å; E457-H459 IonicContact OE2-NE2 2.74Å; E457-H459 PolarHBondContact OE2-NE2 3.23Å; E457-K472 VanDerWaalsContact CD-NZ 3.3Å; E457-K472 WeakPolarHBondContact OE1-CE 3.46Å; E457-K472 IonicContact OE1-NZ 2.82Å; E457-K472 PolarHBondContact OE1-NZ 3.37Å; E457-K472 IonicContact OE2-NZ 3.21Å; E457-K472 PolarHBondContact OE2-NZ 2.9Å
458M89.9Confident91Very high28 Ų2849.1 Ų49.114%0.13823%0.232CC..  trans54.163.9175.6-67.4-64.5-63.300114F351 M354 R376 R455 W456F351-M458 HydrophobicContact CD2-CE 3.95Å; F351-M458 WeakPolarHBondContact CE2-O 3.45Å; M354-M458 HydrophobicContact CB-CE 3.77Å; R376-M458 PolarHBondContact NE-O 3.32Å; R376-M458 PolarHBondContact NH2-O 2.89Å; R455-M458 PolarHBondContact O-N 3.36Å; W456-M458 VanDerWaalsContact C-N 3.26Å; W456-M458 PolarHBondContact O-N 2.77Å
459H90.4Very high91.2Very high18 Ų1847.1 Ų47.18%0.08321%0.214CC..  trans-72.9142.8172.2-67.1-56.6000111.8F351 E457 K464F351-H459 WeakPolarHBondContact CD2-O 3.33Å; E457-H459 IonicContact OE2-CD2 3.89Å; E457-H459 IonicContact OE2-CE1 3.44Å; E457-H459 IonicContact OE2-NE2 2.74Å; E457-H459 PolarHBondContact OE2-NE2 3.23Å; H459-K464 HydrophobicContact CB-CB 4.4Å
460R88.4Confident91.3Very high83 Ų8344.9 Ų44.931%0.31320%0.202SC..SBendtrans-70.1-49.6-174.9177.4-179.9168.4-139.7-6.9112.1P347 R348 F351 E368P347-R460 CarbonylContact C-O 3.56Å; P347-R460 VanDerWaalsContact CA-O 3.31Å; P347-R460 WeakPolarHBondContact CA-O 3.04Å; P347-R460 HydrophobicContact CB-CG 4.18Å; P347-R460 HydrophobicContact CG-CG 4.39Å; R348-R460 PolarHBondContact N-O 2.76Å; F351-R460 HydrophobicContact CD1-CB 4.46Å; F351-R460 HydrophobicContact CD1-CG 4.28Å; F351-R460 HydrophobicContact CE1-CB 4.16Å; F351-R460 HydrophobicContact CE1-CG 3.99Å; F351-R460 HydrophobicContact CE2-CB 4.47Å; F351-R460 HydrophobicContact CZ-CB 4.18Å; F351-R460 HydrophobicContact CZ-CG 4.45Å; E368-R460 IonicContact OE1-NH2 3.43Å; E368-R460 IonicContact OE2-CZ 3.29Å; E368-R460 IonicContact OE2-NE 3.22Å; E368-R460 IonicContact OE2-NH2 3.49Å; E368-R460 PolarHBondContact OE2-NH2 2.94Å
461T89.8Confident91.3Very high6 Ų647.5 Ų47.54%0.03722%0.216CC..SBendtrans-111.3163.8-172.273.50000111.8E345 R348 Y465E345-T461 HydrophobicContact CG-CG2 4.43Å; E345-T461 VanDerWaalsContact OE1-CB 3.25Å; E345-T461 WeakPolarHBondContact OE1-CB 3.49Å; E345-T461 PolarHBondContact OE1-OG1 2.85Å; E345-T461 WeakPolarHBondContact OE2-CB 3.46Å; E345-T461 PolarHBondContact OE2-OG1 3.25Å; R348-T461 WeakPolarHBondContact CD-O 3.37Å; T461-Y465 PolarHBondContact O-N 3.36Å
462Q88.3Confident91.4Very high68 Ų6847.6 Ų47.632%0.31822%0.215SC..Hα-helixtrans-71.3-41.5-176.5-176.663.919.100110.2E345 R348 K464 Y465 E466E345-Q462 PolarHBondContact OE1-N 3.34Å; R348-Q462 HydrophobicContact CG-CB 4.19Å; Q462-K464 PolarHBondContact O-N 3.26Å; Q462-Y465 WeakPolarHBondContact O-CB 3.24Å; Q462-Y465 PolarHBondContact O-N 3.31Å; Q462-E466 HydrophobicContact CG-CG 4.43Å; Q462-E466 PolarHBondContact NE2-OE1 3.38Å; Q462-E466 WeakPolarHBondContact O-CG 3.49Å; Q462-E466 PolarHBondContact O-N 3.17Å
463T90.1Very high91.6Very high33 Ų3343.3 Ų43.320%0.20219%0.192CC..Hα-helixtrans-57.2-50.3176-56.90000111.5E341 E345 Y465 E466 D467E341-T463 HydrophobicContact CG-CG2 4.45Å; E345-T463 PolarHBondContact OE1-N 3.28Å; E345-T463 PolarHBondContact OE1-OG1 3.14Å; T463-Y465 VanDerWaalsContact C-N 3.29Å; T463-Y465 PolarHBondContact O-N 3.45Å; T463-E466 PolarHBondContact O-N 2.89Å; T463-E466 VanDerWaalsContact O-N 3.11Å; T463-D467 WeakPolarHBondContact O-CB 3.4Å; T463-D467 PolarHBondContact O-N 3.21Å
464K90.9Very high91.7Very high120 Ų12042.5 Ų42.552%0.52219%0.188SC..Hα-helixtrans-62.7-34.6178.9-71.3-178.1179.5178.90113.4H459 Q462 M468H459-K464 HydrophobicContact CB-CB 4.4Å; Q462-K464 PolarHBondContact O-N 3.26Å; K464-M468 WeakPolarHBondContact O-CB 3.41Å; K464-M468 VanDerWaalsContact O-CG 3.25Å; K464-M468 WeakPolarHBondContact O-CG 3.19Å; K464-M468 PolarHBondContact O-N 3.5Å
465Y92.2Very high91.7Very high30 Ų3045.3 Ų45.312%0.11820%0.202CC..Hα-helixtrans-66.2-47.6174.1170.4-93.7000110.9T454 R455 T461 Q462 T463 F469T454-Y465 HydrophobicContact CG2-CD2 3.62Å; T454-Y465 HydrophobicContact CG2-CE2 3.67Å; T454-Y465 HydrophobicContact CG2-CG 4.38Å; R455-Y465 HydrophobicContact CG-CE2 3.87Å; T461-Y465 PolarHBondContact O-N 3.36Å; Q462-Y465 WeakPolarHBondContact O-CB 3.24Å; Q462-Y465 PolarHBondContact O-N 3.31Å; T463-Y465 VanDerWaalsContact C-N 3.29Å; T463-Y465 PolarHBondContact O-N 3.45Å; Y465-F469 WeakPolarHBondContact O-CB 3.26Å; Y465-F469 PolarHBondContact O-N 2.85Å
466E91.6Very high91.8Very high47 Ų4739.5 Ų39.522%0.2218%0.18CC..Hα-helixtrans-64-45.8178.6-72.5-176.6-169.800111.6K225 Q462 T463 M468 F469 I470K225-E466 IonicContact NZ-OE1 3.49Å; K225-E466 PolarHBondContact NZ-OE1 3.44Å; K225-E466 IonicContact NZ-OE2 2.95Å; K225-E466 PolarHBondContact NZ-OE2 3.49Å; Q462-E466 HydrophobicContact CG-CG 4.43Å; Q462-E466 PolarHBondContact NE2-OE1 3.38Å; Q462-E466 WeakPolarHBondContact O-CG 3.49Å; Q462-E466 PolarHBondContact O-N 3.17Å; T463-E466 PolarHBondContact O-N 2.89Å; T463-E466 VanDerWaalsContact O-N 3.11Å; E466-M468 PolarHBondContact O-N 2.74Å; E466-F469 WeakPolarHBondContact O-CB 3.43Å; E466-F469 PolarHBondContact O-N 2.91Å; E466-F469 VanDerWaalsContact O-N 3.16Å; E466-I470 HydrophobicContact CB-CD1 4.37Å; E466-I470 WeakPolarHBondContact O-CB 3.24Å; E466-I470 WeakPolarHBondContact O-CD1 3.42Å; E466-I470 WeakPolarHBondContact O-CG1 3.35Å; E466-I470 PolarHBondContact O-N 3.06Å
467D93.3Very high91.9Very high31 Ų3134.4 Ų34.417%0.16616%0.162CC..Hα-helixtrans-58.6-46.2178.3-74-27.2000112.3T463 F469 I470 L471 I645T463-D467 WeakPolarHBondContact O-CB 3.4Å; T463-D467 PolarHBondContact O-N 3.21Å; D467-F469 VanDerWaalsContact C-N 3.34Å; D467-I470 PolarHBondContact O-N 3.33Å; D467-L471 VanDerWaalsContact O-CB 3.28Å; D467-L471 WeakPolarHBondContact O-CB 3.29Å; D467-L471 PolarHBondContact O-N 3.23Å; D467-I645 HydrophobicContact CB-CB 4.04Å; D467-I645 HydrophobicContact CB-CG2 4.23Å; D467-I645 WeakPolarHBondContact OD1-CB 3.21Å; D467-I645 PolarHBondContact OD1-N 2.91Å; D467-I645 VanDerWaalsContact OD1-N 3.07Å
468M93.1Very high92Very high70 Ų7036.3 Ų36.335%0.34517%0.17SC..Hα-helixtrans-69.8-33.3178.9-70.2-67147.800111.8T454 K464 E466 K472T454-M468 HydrophobicContact CG2-CB 4.19Å; K464-M468 WeakPolarHBondContact O-CB 3.41Å; K464-M468 VanDerWaalsContact O-CG 3.25Å; K464-M468 WeakPolarHBondContact O-CG 3.19Å; K464-M468 PolarHBondContact O-N 3.5Å; E466-M468 PolarHBondContact O-N 2.74Å; M468-K472 WeakPolarHBondContact O-CD 3.35Å; M468-K472 WeakPolarHBondContact O-CG 3.45Å; M468-K472 PolarHBondContact O-N 3.2Å; M468-K472 PolarHBondContact O-NZ 3.39Å
469F93.8Very high92.1Very high35 Ų3536.8 Ų36.815%0.15417%0.174CC..Hα-helixtrans-66.4-49.9172.3170.2-103.6000111T447 A450 T454 Y465 E466 D467 L471 K472 V473 F586T447-F469 HydrophobicContact CG2-CZ 4.04Å; A450-F469 HydrophobicContact CB-CD2 4.27Å; A450-F469 HydrophobicContact CB-CE2 4.15Å; T454-F469 HydrophobicContact CG2-CB 4.08Å; Y465-F469 WeakPolarHBondContact O-CB 3.26Å; Y465-F469 PolarHBondContact O-N 2.85Å; E466-F469 WeakPolarHBondContact O-CB 3.43Å; E466-F469 PolarHBondContact O-N 2.91Å; E466-F469 VanDerWaalsContact O-N 3.16Å; D467-F469 VanDerWaalsContact C-N 3.34Å; F469-L471 PolarHBondContact O-N 2.9Å; F469-K472 PolarHBondContact O-N 3.05Å; F469-V473 HydrophobicContact CD2-CG2 4.16Å; F469-V473 HydrophobicContact CE1-CG2 4.33Å; F469-V473 HydrophobicContact CE2-CG2 3.73Å; F469-V473 HydrophobicContact CZ-CG2 3.83Å; F469-V473 WeakPolarHBondContact O-CG2 3.43Å; F469-V473 PolarHBondContact O-N 3.17Å; F469-F586 HydrophobicContact CD1-CD2 4.46Å; F469-F586 HydrophobicContact CE1-CD1 4.11Å; F469-F586 HydrophobicContact CE1-CD2 4.06Å; F469-F586 HydrophobicContact CE1-CE1 4.17Å; F469-F586 HydrophobicContact CE1-CE2 4.13Å; F469-F586 HydrophobicContact CE1-CG 4.06Å; F469-F586 HydrophobicContact CE1-CZ 4.2Å; F469-F586 HydrophobicContact CZ-CE1 4.49Å
470I94.5Very high92.1Very high13 Ų1336.2 Ų36.27%0.06717%0.172CC..Hα-helixtrans-57.3-50.2179.1-71.2160.7000110.3E466 D467 K472 V473 F474 F586 I645 W646 I649E466-I470 HydrophobicContact CB-CD1 4.37Å; E466-I470 WeakPolarHBondContact O-CB 3.24Å; E466-I470 WeakPolarHBondContact O-CD1 3.42Å; E466-I470 WeakPolarHBondContact O-CG1 3.35Å; E466-I470 PolarHBondContact O-N 3.06Å; D467-I470 PolarHBondContact O-N 3.33Å; I470-K472 VanDerWaalsContact C-N 3.31Å; I470-K472 PolarHBondContact O-N 2.99Å; I470-V473 PolarHBondContact O-N 3Å; I470-F474 WeakPolarHBondContact O-CB 3.3Å; I470-F474 PolarHBondContact O-N 3.46Å; I470-F586 HydrophobicContact CB-CE2 4.3Å; I470-F586 HydrophobicContact CG1-CD2 3.69Å; I470-F586 HydrophobicContact CG1-CE2 3.86Å; I470-F586 HydrophobicContact CG2-CE2 4.4Å; I470-I645 HydrophobicContact CB-CG2 3.64Å; I470-I645 HydrophobicContact CD1-CG2 4.06Å; I470-I645 HydrophobicContact CG1-CG2 4.46Å; I470-I645 HydrophobicContact CG2-CG2 3.35Å; I470-W646 HydrophobicContact CB-CZ2 4.4Å; I470-W646 HydrophobicContact CD1-CZ2 4.37Å; I470-W646 HydrophobicContact CG1-CZ2 4.06Å; I470-W646 HydrophobicContact CG2-CD2 3.86Å; I470-W646 HydrophobicContact CG2-CE3 3.95Å; I470-W646 HydrophobicContact CG2-CH2 3.58Å; I470-W646 HydrophobicContact CG2-CZ2 3.47Å; I470-W646 VanDerWaalsContact CG2-CZ2 3.47Å; I470-W646 HydrophobicContact CG2-CZ3 3.82Å; I470-I649 HydrophobicContact CG2-CD1 3.92Å
471L93.6Very high92Very high57 Ų5733.2 Ų33.230%0.29816%0.161SC..Hα-helixtrans-57.6-44.9-179.5-17963.9000111.5D467 F469 F474 I475 I645D467-L471 VanDerWaalsContact O-CB 3.28Å; D467-L471 WeakPolarHBondContact O-CB 3.29Å; D467-L471 PolarHBondContact O-N 3.23Å; F469-L471 PolarHBondContact O-N 2.9Å; L471-F474 PolarHBondContact O-N 3.34Å; L471-I475 HydrophobicContact CD1-CD1 4.05Å; L471-I475 HydrophobicContact CD1-CG1 4.34Å; L471-I475 HydrophobicContact CG-CD1 3.99Å; L471-I475 VanDerWaalsContact O-CG1 3.24Å; L471-I475 WeakPolarHBondContact O-CG1 3.47Å; L471-I475 PolarHBondContact O-N 2.91Å; L471-I645 HydrophobicContact CB-CG1 4.5Å
472K93.3Very high92.1Very high10 Ų1033.1 Ų33.14%0.04316%0.16CC..Hα-helixtrans-64.9-45.3179.6-68.4178.2174.568.50112I387 Y446 A450 L453 E457 M468 F469 I470 F476I387-K472 HydrophobicContact CD1-CB 3.99Å; I387-K472 HydrophobicContact CD1-CD 3.77Å; I387-K472 HydrophobicContact CD1-CG 3.45Å; I387-K472 VanDerWaalsContact CD1-CG 3.45Å; Y446-K472 WeakPolarHBondContact CE1-O 3.48Å; Y446-K472 PolarHBondContact OH-O 2.74Å; A450-K472 HydrophobicContact CB-CB 4.46Å; L453-K472 HydrophobicContact CD2-CD 4.19Å; E457-K472 VanDerWaalsContact CD-NZ 3.3Å; E457-K472 WeakPolarHBondContact OE1-CE 3.46Å; E457-K472 IonicContact OE1-NZ 2.82Å; E457-K472 PolarHBondContact OE1-NZ 3.37Å; E457-K472 IonicContact OE2-NZ 3.21Å; E457-K472 PolarHBondContact OE2-NZ 2.9Å; M468-K472 WeakPolarHBondContact O-CD 3.35Å; M468-K472 WeakPolarHBondContact O-CG 3.45Å; M468-K472 PolarHBondContact O-N 3.2Å; M468-K472 PolarHBondContact O-NZ 3.39Å; F469-K472 PolarHBondContact O-N 3.05Å; I470-K472 VanDerWaalsContact C-N 3.31Å; I470-K472 PolarHBondContact O-N 2.99Å; K472-F476 PolarHBondContact O-N 3.08Å
473V93.7Very high92.1Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-67.2-42.8177.9-176.50000110.8Y446 T447 A450 F469 I470 I475 F476 Q477 F586 L590Y446-V473 HydrophobicContact CE1-CG2 4.43Å; T447-V473 HydrophobicContact CG2-CG2 4.43Å; A450-V473 HydrophobicContact CB-CG2 3.6Å; F469-V473 HydrophobicContact CD2-CG2 4.16Å; F469-V473 HydrophobicContact CE1-CG2 4.33Å; F469-V473 HydrophobicContact CE2-CG2 3.73Å; F469-V473 HydrophobicContact CZ-CG2 3.83Å; F469-V473 WeakPolarHBondContact O-CG2 3.43Å; F469-V473 PolarHBondContact O-N 3.17Å; I470-V473 PolarHBondContact O-N 3Å; V473-I475 PolarHBondContact O-N 2.87Å; V473-F476 PolarHBondContact O-N 3.11Å; V473-Q477 HydrophobicContact CG1-CG 3.84Å; V473-Q477 WeakPolarHBondContact O-CB 3.3Å; V473-Q477 WeakPolarHBondContact O-CG 3.41Å; V473-Q477 PolarHBondContact O-N 3.03Å; V473-F586 HydrophobicContact CB-CE2 4.37Å; V473-F586 HydrophobicContact CB-CZ 3.67Å; V473-F586 HydrophobicContact CG1-CE1 4.01Å; V473-F586 HydrophobicContact CG1-CZ 3.47Å; V473-F586 VanDerWaalsContact CG1-CZ 3.47Å; V473-F586 HydrophobicContact CG2-CZ 4.24Å; V473-L590 HydrophobicContact CG1-CD2 4.49Å
474F94.6Very high92Very high6 Ų630.1 Ų30.13%0.02615%0.147CC..Hα-helixtrans-58.4-50176.8171.8-100.9000112.1I470 L471 F476 Q477 F478 L590 V593 W646 I649 F652 I653I470-F474 WeakPolarHBondContact O-CB 3.3Å; I470-F474 PolarHBondContact O-N 3.46Å; L471-F474 PolarHBondContact O-N 3.34Å; F474-F476 VanDerWaalsContact C-N 3.28Å; F474-F476 PolarHBondContact O-N 3.47Å; F474-Q477 PolarHBondContact O-N 2.92Å; F474-Q477 VanDerWaalsContact O-N 3.15Å; F474-F478 HydrophobicContact CE1-CB 4.27Å; F474-F478 HydrophobicContact CE1-CD2 4.26Å; F474-F478 HydrophobicContact CE1-CG 4.45Å; F474-F478 HydrophobicContact CE2-CB 4.23Å; F474-F478 HydrophobicContact CE2-CD2 4.06Å; F474-F478 HydrophobicContact CZ-CB 4Å; F474-F478 AromaticContact CZ-CD2 3.51Å; F474-F478 HydrophobicContact CZ-CD2 3.51Å; F474-F478 HydrophobicContact CZ-CE2 4.37Å; F474-F478 HydrophobicContact CZ-CG 4.05Å; F474-F478 WeakPolarHBondContact O-CB 3.27Å; F474-F478 PolarHBondContact O-N 3.32Å; F474-L590 HydrophobicContact CD2-CD1 4.46Å; F474-V593 HydrophobicContact CD2-CG1 4.45Å; F474-V593 HydrophobicContact CE2-CG1 4.07Å; F474-W646 HydrophobicContact CD2-CZ3 4.47Å; F474-I649 HydrophobicContact CB-CD1 3.91Å; F474-I649 HydrophobicContact CD1-CD1 3.94Å; F474-I649 HydrophobicContact CD1-CG1 3.92Å; F474-I649 HydrophobicContact CD1-CG2 3.86Å; F474-I649 HydrophobicContact CD2-CD1 4.37Å; F474-I649 HydrophobicContact CD2-CG2 3.71Å; F474-I649 HydrophobicContact CE1-CB 4.44Å; F474-I649 HydrophobicContact CE1-CG1 4.23Å; F474-I649 HydrophobicContact CE1-CG2 3.54Å; F474-I649 HydrophobicContact CE2-CG2 3.38Å; F474-I649 HydrophobicContact CG-CD1 3.78Å; F474-I649 HydrophobicContact CG-CG1 4.22Å; F474-I649 HydrophobicContact CG-CG2 3.94Å; F474-I649 HydrophobicContact CZ-CG2 3.3Å; F474-F652 HydrophobicContact CE1-CD1 4.45Å; F474-I653 HydrophobicContact CE2-CD1 4.04Å; F474-I653 HydrophobicContact CZ-CD1 3.91Å; F474-I653 HydrophobicContact CZ-CG1 4.14Å
475I93.6Very high91.9Very high59 Ų5924.4 Ų24.430%0.30312%0.122SC..Hα-helixtrans-55.9-45.7-178.8-71165.6000111I387 I391 L471 V473 V479I387-I475 HydrophobicContact CG2-CG2 4.39Å; I391-I475 HydrophobicContact CD1-CG2 3.51Å; I391-I475 HydrophobicContact CG1-CG2 4.34Å; L471-I475 HydrophobicContact CD1-CD1 4.05Å; L471-I475 HydrophobicContact CD1-CG1 4.34Å; L471-I475 HydrophobicContact CG-CD1 3.99Å; L471-I475 VanDerWaalsContact O-CG1 3.24Å; L471-I475 WeakPolarHBondContact O-CG1 3.47Å; L471-I475 PolarHBondContact O-N 2.91Å; V473-I475 PolarHBondContact O-N 2.87Å; I475-V479 WeakPolarHBondContact O-CG2 3.33Å; I475-V479 PolarHBondContact O-N 3.38Å
476F92.4Very high91.9Very high1 Ų125.3 Ų25.30%0.00413%0.131CC..Hα-helixtrans-66.3-46.5177.9176.1-95.3000112.2M390 V394 L442 Y446 K472 V473 F474 F478 V479 N480M390-F476 HydrophobicContact CB-CD2 4.29Å; M390-F476 HydrophobicContact CB-CE2 4.4Å; M390-F476 HydrophobicContact CE-CE2 4.42Å; V394-F476 HydrophobicContact CG2-CE2 3.83Å; V394-F476 HydrophobicContact CG2-CZ 4.33Å; L442-F476 HydrophobicContact CB-CZ 4.03Å; Y446-F476 HydrophobicContact CD1-CB 3.52Å; Y446-F476 AromaticContact CD1-CD1 3.53Å; Y446-F476 HydrophobicContact CD1-CD1 3.53Å; Y446-F476 HydrophobicContact CD1-CD2 4.34Å; Y446-F476 HydrophobicContact CD1-CE1 4.39Å; Y446-F476 AromaticContact CD1-CG 3.51Å; Y446-F476 HydrophobicContact CD1-CG 3.51Å; Y446-F476 HydrophobicContact CD2-CB 3.94Å; Y446-F476 AromaticContact CD2-CD1 4Å; Y446-F476 HydrophobicContact CD2-CD1 4Å; Y446-F476 AromaticContact CD2-CD2 3.43Å; Y446-F476 HydrophobicContact CD2-CD2 3.43Å; Y446-F476 VanDerWaalsContact CD2-CD2 3.43Å; Y446-F476 HydrophobicContact CD2-CE1 4.43Å; Y446-F476 AromaticContact CD2-CE2 3.91Å; Y446-F476 HydrophobicContact CD2-CE2 3.91Å; Y446-F476 AromaticContact CD2-CG 3.48Å; Y446-F476 HydrophobicContact CD2-CG 3.48Å; Y446-F476 VanDerWaalsContact CD2-CG 3.48Å; Y446-F476 HydrophobicContact CD2-CZ 4.39Å; Y446-F476 HydrophobicContact CE1-CB 3.28Å; Y446-F476 HydrophobicContact CE1-CD1 4.24Å; Y446-F476 AromaticContact CE1-CG 3.81Å; Y446-F476 HydrophobicContact CE1-CG 3.81Å; Y446-F476 HydrophobicContact CE2-CB 3.69Å; Y446-F476 AromaticContact CE2-CD2 3.71Å; Y446-F476 HydrophobicContact CE2-CD2 3.71Å; Y446-F476 AromaticContact CE2-CG 3.74Å; Y446-F476 HydrophobicContact CE2-CG 3.74Å; Y446-F476 HydrophobicContact CG-CB 3.83Å; Y446-F476 AromaticContact CG-CD1 3.38Å; Y446-F476 HydrophobicContact CG-CD1 3.38Å; Y446-F476 AromaticContact CG-CD2 3.75Å; Y446-F476 HydrophobicContact CG-CD2 3.75Å; Y446-F476 AromaticContact CG-CE1 3.86Å; Y446-F476 HydrophobicContact CG-CE1 3.86Å; Y446-F476 HydrophobicContact CG-CE2 4.18Å; Y446-F476 AromaticContact CG-CG 3.33Å; Y446-F476 HydrophobicContact CG-CG 3.33Å; Y446-F476 HydrophobicContact CG-CZ 4.23Å; Y446-F476 AromaticContact CZ-CG 3.87Å; K472-F476 PolarHBondContact O-N 3.08Å; V473-F476 PolarHBondContact O-N 3.11Å; F474-F476 VanDerWaalsContact C-N 3.28Å; F474-F476 PolarHBondContact O-N 3.47Å; F476-F478 VanDerWaalsContact C-N 3.32Å; F476-F478 PolarHBondContact O-N 3.01Å; F476-V479 PolarHBondContact O-N 3.39Å; F476-N480 HydrophobicContact CE1-CB 4.18Å; F476-N480 HydrophobicContact CZ-CB 4.4Å; F476-N480 VanDerWaalsContact O-CB 3.26Å; F476-N480 WeakPolarHBondContact O-CB 3.42Å; F476-N480 PolarHBondContact O-N 3.42Å
477Q91.7Very high91.8Very high8 Ų825.9 Ų25.94%0.03713%0.132CC..Hα-helixtrans-65.1-37.6-179.2-69.2-68.47.100112.2S443 V473 F474 N480 F481 L590S443-Q477 PolarHBondContact OG-NE2 3.06Å; S443-Q477 VanDerWaalsContact OG-NE2 3.15Å; S443-Q477 PolarHBondContact OG-OE1 3.23Å; S443-Q477 VanDerWaalsContact OG-OE1 3.07Å; V473-Q477 HydrophobicContact CG1-CG 3.84Å; V473-Q477 WeakPolarHBondContact O-CB 3.3Å; V473-Q477 WeakPolarHBondContact O-CG 3.41Å; V473-Q477 PolarHBondContact O-N 3.03Å; F474-Q477 PolarHBondContact O-N 2.92Å; F474-Q477 VanDerWaalsContact O-N 3.15Å; Q477-N480 PolarHBondContact O-N 3.48Å; Q477-F481 HydrophobicContact CB-CD2 4.36Å; Q477-F481 WeakPolarHBondContact O-CB 3.28Å; Q477-F481 WeakPolarHBondContact O-CD2 3.47Å; Q477-F481 PolarHBondContact O-N 3.33Å; Q477-L590 HydrophobicContact CB-CD1 4.28Å; Q477-L590 HydrophobicContact CG-CD1 4.47Å; Q477-L590 HydrophobicContact CG-CD2 4.1Å
478F92.6Very high91.5Very high40 Ų4025.2 Ų25.218%0.17513%0.128CC..Hα-helixtrans-56.8-53.5173-177.4-87.1000109.9F474 F476 N480 Y482 I601 F652 I653F474-F478 HydrophobicContact CE1-CB 4.27Å; F474-F478 HydrophobicContact CE1-CD2 4.26Å; F474-F478 HydrophobicContact CE1-CG 4.45Å; F474-F478 HydrophobicContact CE2-CB 4.23Å; F474-F478 HydrophobicContact CE2-CD2 4.06Å; F474-F478 HydrophobicContact CZ-CB 4Å; F474-F478 AromaticContact CZ-CD2 3.51Å; F474-F478 HydrophobicContact CZ-CD2 3.51Å; F474-F478 HydrophobicContact CZ-CE2 4.37Å; F474-F478 HydrophobicContact CZ-CG 4.05Å; F474-F478 WeakPolarHBondContact O-CB 3.27Å; F474-F478 PolarHBondContact O-N 3.32Å; F476-F478 VanDerWaalsContact C-N 3.32Å; F476-F478 PolarHBondContact O-N 3.01Å; F478-N480 PolarHBondContact O-N 3.19Å; F478-Y482 HydrophobicContact CB-CD2 4.24Å; F478-Y482 HydrophobicContact CB-CE2 4.48Å; F478-Y482 HydrophobicContact CD1-CD2 4.07Å; F478-Y482 AromaticContact CD2-CD2 3.29Å; F478-Y482 HydrophobicContact CD2-CD2 3.29Å; F478-Y482 AromaticContact CD2-CE2 3.24Å; F478-Y482 HydrophobicContact CD2-CE2 3.24Å; F478-Y482 HydrophobicContact CE1-CD2 4.2Å; F478-Y482 AromaticContact CE2-CD2 3.43Å; F478-Y482 HydrophobicContact CE2-CD2 3.43Å; F478-Y482 VanDerWaalsContact CE2-CD2 3.43Å; F478-Y482 AromaticContact CE2-CE2 3.46Å; F478-Y482 HydrophobicContact CE2-CE2 3.46Å; F478-Y482 VanDerWaalsContact CE2-CE2 3.46Å; F478-Y482 HydrophobicContact CE2-CG 4.43Å; F478-Y482 AromaticContact CG-CD2 3.62Å; F478-Y482 HydrophobicContact CG-CD2 3.62Å; F478-Y482 AromaticContact CG-CE2 3.97Å; F478-Y482 HydrophobicContact CG-CE2 3.97Å; F478-Y482 AromaticContact CZ-CD2 3.89Å; F478-Y482 HydrophobicContact CZ-CD2 3.89Å; F478-Y482 HydrophobicContact CZ-CE2 4.35Å; F478-Y482 VanDerWaalsContact O-CB 3.28Å; F478-Y482 WeakPolarHBondContact O-CB 3.08Å; F478-Y482 WeakPolarHBondContact O-CD2 3.23Å; F478-Y482 PolarHBondContact O-N 3.42Å; F478-I601 HydrophobicContact CE2-CD1 3.93Å; F478-I601 HydrophobicContact CZ-CD1 4.1Å; F478-F652 HydrophobicContact CE2-CE1 4.38Å; F478-F652 HydrophobicContact CZ-CE1 4.27Å; F478-I653 HydrophobicContact CE2-CG1 4.33Å
479V92.4Very high91.4Very high38 Ų3822.1 Ų22.123%0.2311%0.113CC..Hα-helixtrans-62.4-47.1177.7178.20000110.8I391 V394 I475 F476 F481 S483I391-V479 HydrophobicContact CG1-CG2 4.44Å; I391-V479 HydrophobicContact CG2-CG1 4.26Å; I391-V479 HydrophobicContact CG2-CG2 4.13Å; V394-V479 HydrophobicContact CB-CG1 3.98Å; V394-V479 HydrophobicContact CG1-CG1 3.98Å; V394-V479 HydrophobicContact CG2-CG1 4.27Å; I475-V479 WeakPolarHBondContact O-CG2 3.33Å; I475-V479 PolarHBondContact O-N 3.38Å; F476-V479 PolarHBondContact O-N 3.39Å; V479-F481 PolarHBondContact O-N 3.38Å; V479-S483 WeakPolarHBondContact O-CB 3.43Å; V479-S483 PolarHBondContact O-N 2.82Å; V479-S483 PolarHBondContact O-OG 3.41Å
480N89.5Confident91.2Very high5 Ų523.3 Ų23.33%0.02712%0.119CC..Hα-helixtrans-61.5-40.4-176.4-167.640.9000113.7I439 S443 F476 Q477 F478I439-N480 PolarHBondContact O-ND2 3.37Å; I439-N480 VanDerWaalsContact O-ND2 3.16Å; S443-N480 PolarHBondContact OG-ND2 3.02Å; F476-N480 HydrophobicContact CE1-CB 4.18Å; F476-N480 HydrophobicContact CZ-CB 4.4Å; F476-N480 VanDerWaalsContact O-CB 3.26Å; F476-N480 WeakPolarHBondContact O-CB 3.42Å; F476-N480 PolarHBondContact O-N 3.42Å; Q477-N480 PolarHBondContact O-N 3.48Å; F478-N480 PolarHBondContact O-N 3.19Å
481F87.5Confident91Very high21 Ų2127.9 Ų27.99%0.09214%0.138CC..Hα-helixtrans-87.6-35-178.9-80.1-69.8000113.7I439 Q477 V479 P485 K533 L594 F598I439-F481 HydrophobicContact CG2-CD1 3.94Å; I439-F481 HydrophobicContact CG2-CE1 3.49Å; I439-F481 VanDerWaalsContact CG2-CE1 3.49Å; I439-F481 HydrophobicContact CG2-CZ 3.8Å; Q477-F481 HydrophobicContact CB-CD2 4.36Å; Q477-F481 WeakPolarHBondContact O-CB 3.28Å; Q477-F481 WeakPolarHBondContact O-CD2 3.47Å; Q477-F481 PolarHBondContact O-N 3.33Å; V479-F481 PolarHBondContact O-N 3.38Å; F481-P485 WeakPolarHBondContact O-CD 3.49Å; F481-K533 HydrophobicContact CE1-CD 4.39Å; F481-L594 HydrophobicContact CD2-CD1 3.72Å; F481-L594 HydrophobicContact CE2-CD1 3.97Å; F481-L594 HydrophobicContact CG-CD1 4.48Å; F481-F598 HydrophobicContact CB-CZ 4.19Å
482Y90.8Very high90.6Very high3 Ų325.9 Ų25.91%0.01213%0.127CC..Hα-helixtrans-89.6-14.5-177.3-64-62.7000114F478 T484 P485 V486 L594 G597 F598 F602F478-Y482 HydrophobicContact CB-CD2 4.24Å; F478-Y482 HydrophobicContact CB-CE2 4.48Å; F478-Y482 HydrophobicContact CD1-CD2 4.07Å; F478-Y482 AromaticContact CD2-CD2 3.29Å; F478-Y482 HydrophobicContact CD2-CD2 3.29Å; F478-Y482 AromaticContact CD2-CE2 3.24Å; F478-Y482 HydrophobicContact CD2-CE2 3.24Å; F478-Y482 HydrophobicContact CE1-CD2 4.2Å; F478-Y482 AromaticContact CE2-CD2 3.43Å; F478-Y482 HydrophobicContact CE2-CD2 3.43Å; F478-Y482 VanDerWaalsContact CE2-CD2 3.43Å; F478-Y482 AromaticContact CE2-CE2 3.46Å; F478-Y482 HydrophobicContact CE2-CE2 3.46Å; F478-Y482 VanDerWaalsContact CE2-CE2 3.46Å; F478-Y482 HydrophobicContact CE2-CG 4.43Å; F478-Y482 AromaticContact CG-CD2 3.62Å; F478-Y482 HydrophobicContact CG-CD2 3.62Å; F478-Y482 AromaticContact CG-CE2 3.97Å; F478-Y482 HydrophobicContact CG-CE2 3.97Å; F478-Y482 AromaticContact CZ-CD2 3.89Å; F478-Y482 HydrophobicContact CZ-CD2 3.89Å; F478-Y482 HydrophobicContact CZ-CE2 4.35Å; F478-Y482 VanDerWaalsContact O-CB 3.28Å; F478-Y482 WeakPolarHBondContact O-CB 3.08Å; F478-Y482 WeakPolarHBondContact O-CD2 3.23Å; F478-Y482 PolarHBondContact O-N 3.42Å; Y482-T484 VanDerWaalsContact C-N 3.34Å; Y482-T484 PolarHBondContact O-N 2.94Å; Y482-P485 WeakPolarHBondContact O-CD 3.15Å; Y482-V486 WeakPolarHBondContact O-CB 3.28Å; Y482-V486 WeakPolarHBondContact O-CG2 3.45Å; Y482-V486 PolarHBondContact O-N 3.48Å; Y482-L594 HydrophobicContact CE2-CD2 3.76Å; Y482-L594 WeakPolarHBondContact OH-CA 3.1Å; Y482-L594 PolarHBondContact OH-O 2.92Å; Y482-G597 WeakPolarHBondContact OH-CA 3.47Å; Y482-F598 AromaticContact CD1-CD1 3.86Å; Y482-F598 HydrophobicContact CD1-CD1 3.86Å; Y482-F598 AromaticContact CD1-CE1 3.53Å; Y482-F598 HydrophobicContact CD1-CE1 3.53Å; Y482-F598 HydrophobicContact CD1-CZ 4.22Å; Y482-F598 AromaticContact CE1-CD1 3.36Å; Y482-F598 HydrophobicContact CE1-CD1 3.36Å; Y482-F598 HydrophobicContact CE1-CD2 4.34Å; Y482-F598 AromaticContact CE1-CE1 3.34Å; Y482-F598 HydrophobicContact CE1-CE1 3.34Å; Y482-F598 HydrophobicContact CE1-CE2 4.33Å; Y482-F598 AromaticContact CE1-CG 3.87Å; Y482-F598 HydrophobicContact CE1-CG 3.87Å; Y482-F598 AromaticContact CE1-CZ 3.85Å; Y482-F598 HydrophobicContact CE1-CZ 3.85Å; Y482-F598 PolarHBondContact OH-N 3.33Å; Y482-F602 AromaticContact CD1-CE2 3.63Å; Y482-F602 HydrophobicContact CD1-CE2 3.63Å; Y482-F602 HydrophobicContact CD1-CZ 4.35Å; Y482-F602 HydrophobicContact CE1-CE2 4.13Å
483S89.9Confident90Very high18 Ų1826.9 Ų26.913%0.12614%0.14CC..Hα-helixtrans-62.7-37.3-174.960.40000113.7L398 V479 Y487L398-S483 WeakPolarHBondContact CD1-OG 3.49Å; V479-S483 WeakPolarHBondContact O-CB 3.43Å; V479-S483 PolarHBondContact O-N 2.82Å; V479-S483 PolarHBondContact O-OG 3.41Å; S483-Y487 WeakPolarHBondContact O-CB 3.27Å; S483-Y487 PolarHBondContact O-N 2.93Å
484T86.8Confident89.5Confident21 Ų2132.2 Ų32.213%0.12916%0.16CC..Hα-helixtrans-66.4-53175.6-61.50000111.7L398 Y482 V486 Y487 I488 E525L398-T484 WeakPolarHBondContact CD2-OG1 3.3Å; Y482-T484 VanDerWaalsContact C-N 3.34Å; Y482-T484 PolarHBondContact O-N 2.94Å; T484-V486 PolarHBondContact O-N 3.16Å; T484-Y487 WeakPolarHBondContact O-CB 3.45Å; T484-Y487 PolarHBondContact O-N 3.4Å; T484-I488 HydrophobicContact CG2-CD1 4.02Å; T484-I488 WeakPolarHBondContact O-CG1 3.27Å; T484-I488 PolarHBondContact O-N 3.44Å; T484-E525 HydrophobicContact CG2-CG 4.36Å
485P89.1Confident89Confident0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-54.3-44.4171.7-29.134.4000114.2F481 Y482 Y487 I488 A489 L522 L526 I529 F602F481-P485 WeakPolarHBondContact O-CD 3.49Å; Y482-P485 WeakPolarHBondContact O-CD 3.15Å; P485-Y487 VanDerWaalsContact C-N 3.34Å; P485-Y487 PolarHBondContact O-N 2.72Å; P485-I488 PolarHBondContact O-N 3.5Å; P485-A489 VanDerWaalsContact O-CB 3.23Å; P485-A489 WeakPolarHBondContact O-CB 3.28Å; P485-A489 PolarHBondContact O-N 3.12Å; P485-L522 HydrophobicContact CB-CD1 3.78Å; P485-L526 HydrophobicContact CB-CD2 4.45Å; P485-L526 HydrophobicContact CG-CD2 4.41Å; P485-I529 HydrophobicContact CG-CD1 4.22Å; P485-F602 HydrophobicContact CB-CE1 4.04Å; P485-F602 HydrophobicContact CB-CE2 4.13Å; P485-F602 HydrophobicContact CB-CZ 3.78Å
486V91.9Very high88.5Confident49 Ų4935.7 Ų35.730%0.29717%0.174SC..Hα-helixtrans-61.2-41.7177.5167.20000111.2Y482 T484 A489 F490 F491 F602Y482-V486 WeakPolarHBondContact O-CB 3.28Å; Y482-V486 WeakPolarHBondContact O-CG2 3.45Å; Y482-V486 PolarHBondContact O-N 3.48Å; T484-V486 PolarHBondContact O-N 3.16Å; V486-A489 PolarHBondContact O-N 3.48Å; V486-F490 HydrophobicContact CG1-CD2 3.99Å; V486-F490 WeakPolarHBondContact O-CD2 3.33Å; V486-F490 PolarHBondContact O-N 2.91Å; V486-F491 HydrophobicContact CG1-CE2 4.34Å; V486-F602 HydrophobicContact CG2-CE1 4.38Å; V486-F602 HydrophobicContact CG2-CZ 3.96Å
487Y89.8Confident88.1Confident59 Ų5937.1 Ų37.123%0.23119%0.189CC..Iπ-helixtrans-61.3-48.1174.8171.3-99.5000111.8I402 S483 T484 P485 A489 F491 K492I402-Y487 HydrophobicContact CD1-CD1 3.95Å; I402-Y487 HydrophobicContact CD1-CD2 4.23Å; I402-Y487 HydrophobicContact CD1-CE1 3.53Å; I402-Y487 HydrophobicContact CD1-CE2 3.85Å; I402-Y487 HydrophobicContact CD1-CG 4.28Å; I402-Y487 VanDerWaalsContact CD1-CZ 3.48Å; I402-Y487 HydrophobicContact CG1-CE1 4.19Å; S483-Y487 WeakPolarHBondContact O-CB 3.27Å; S483-Y487 PolarHBondContact O-N 2.93Å; T484-Y487 WeakPolarHBondContact O-CB 3.45Å; T484-Y487 PolarHBondContact O-N 3.4Å; P485-Y487 VanDerWaalsContact C-N 3.34Å; P485-Y487 PolarHBondContact O-N 2.72Å; Y487-A489 VanDerWaalsContact C-N 3.32Å; Y487-A489 PolarHBondContact O-N 3.27Å; Y487-F491 HydrophobicContact CD2-CB 3.74Å; Y487-F491 HydrophobicContact CE2-CB 4.05Å; Y487-F491 PolarHBondContact O-N 3.16Å; Y487-K492 HydrophobicContact CE1-CB 4.19Å; Y487-K492 HydrophobicContact CE1-CG 4.42Å; Y487-K492 PolarHBondContact O-N 2.77Å
488I87.3Confident87.9Confident16 Ų1638.3 Ų38.38%0.08219%0.194CC..Iπ-helixtrans-63.1-40.5179.1-63168.6000110.9T484 P485 K492 D521 L522 E525T484-I488 HydrophobicContact CG2-CD1 4.02Å; T484-I488 WeakPolarHBondContact O-CG1 3.27Å; T484-I488 PolarHBondContact O-N 3.44Å; P485-I488 PolarHBondContact O-N 3.5Å; I488-K492 HydrophobicContact CG1-CD 4.46Å; I488-K492 HydrophobicContact CG2-CD 4.26Å; I488-D521 HydrophobicContact CG2-CB 3.92Å; I488-L522 HydrophobicContact CG2-CB 3.91Å; I488-E525 HydrophobicContact CD1-CB 4.05Å; I488-E525 HydrophobicContact CD1-CG 4.02Å
489A90.4Very high87.6Confident5 Ų536.5 Ų36.54%0.04119%0.186CC..Iπ-helixtrans-65.9-50-178.100000113.1P485 V486 Y487 L522 F602 L664 T668P485-A489 VanDerWaalsContact O-CB 3.23Å; P485-A489 WeakPolarHBondContact O-CB 3.28Å; P485-A489 PolarHBondContact O-N 3.12Å; V486-A489 PolarHBondContact O-N 3.48Å; Y487-A489 VanDerWaalsContact C-N 3.32Å; Y487-A489 PolarHBondContact O-N 3.27Å; A489-L522 HydrophobicContact CB-CD2 3.93Å; A489-F602 HydrophobicContact CB-CE1 4.49Å; A489-L664 HydrophobicContact CB-CD2 3.67Å; A489-T668 PolarHBondContact O-OG1 3.47Å
490F90.5Very high87Confident61 Ų6136.8 Ų36.827%0.26820%0.196SC..Iπ-helixtrans-115-25.5-163.4-55.8-61.3000114.8V486 F663 L664V486-F490 HydrophobicContact CG1-CD2 3.99Å; V486-F490 WeakPolarHBondContact O-CD2 3.33Å; V486-F490 PolarHBondContact O-N 2.91Å; F490-F663 HydrophobicContact CD1-CB 4.2Å; F490-F663 HydrophobicContact CE1-CB 3.52Å; F490-F663 HydrophobicContact CZ-CB 4.26Å; F490-L664 HydrophobicContact CE1-CD2 4.14Å; F490-L664 HydrophobicContact CE1-CG 4.1Å; F490-L664 HydrophobicContact CZ-CD2 4.28Å; F490-L664 HydrophobicContact CZ-CG 4.11Å
491F88.8Confident86.7Confident108 Ų10842.3 Ų42.347%0.47422%0.223SC..Iπ-helixtrans-108.9-37.7-172.4-65.9-87.1000113.1V486 Y487 G493 R494 F495V486-F491 HydrophobicContact CG1-CE2 4.34Å; Y487-F491 HydrophobicContact CD2-CB 3.74Å; Y487-F491 HydrophobicContact CE2-CB 4.05Å; Y487-F491 PolarHBondContact O-N 3.16Å; F491-G493 PolarHBondContact O-N 3.37Å; F491-R494 PolarHBondContact O-N 3.35Å; F491-F495 AromaticContact CD1-CE2 3.93Å; F491-F495 HydrophobicContact CD1-CE2 3.93Å
492K85.4Confident86.6Confident16 Ų1643.9 Ų43.97%0.0723%0.229CC..THydrogen-bonded Turntrans-59130.6-178.3-169.7-179-174.6-176.60111.3Y487 I488 R494 E511 D521Y487-K492 HydrophobicContact CE1-CB 4.19Å; Y487-K492 HydrophobicContact CE1-CG 4.42Å; Y487-K492 PolarHBondContact O-N 2.77Å; I488-K492 HydrophobicContact CG1-CD 4.46Å; I488-K492 HydrophobicContact CG2-CD 4.26Å; K492-R494 PolarHBondContact O-N 3.24Å; K492-R494 VanDerWaalsContact O-N 3.17Å; K492-E511 VanDerWaalsContact CE-CD 3.43Å; K492-E511 WeakPolarHBondContact CE-OE1 3.46Å; K492-E511 IonicContact NZ-OE1 3.14Å; K492-E511 PolarHBondContact NZ-OE1 2.77Å; K492-E511 VanDerWaalsContact NZ-OE1 3.14Å; K492-D521 IonicContact NZ-OD2 2.73Å; K492-D521 PolarHBondContact NZ-OD2 3.43Å
493G81.4Confident86.3Confident30 Ų3047.9 Ų47.931%0.30925%0.251SS..THydrogen-bonded Turntrans73.5-4.7177.800000116.8F491 E511F491-G493 PolarHBondContact O-N 3.37Å; G493-E511 PolarHBondContact N-O 3.24Å; G493-E511 VanDerWaalsContact N-O 3.16Å
494R84.3Confident85.9Confident113 Ų11351.1 Ų51.143%0.42627%0.27SS..THydrogen-bonded Turntrans-85.9-34.7-178.1-165.462.2173.5147.31.6113.6F491 K492F491-R494 PolarHBondContact O-N 3.35Å; K492-R494 PolarHBondContact O-N 3.24Å; K492-R494 VanDerWaalsContact O-N 3.17Å
495F83.8Confident85.4Confident119 Ų11953.7 Ų53.752%0.52228%0.283SS..SBendtrans-107.733.2-174-58.1-75.6000113.6F491 N503 N510F491-F495 AromaticContact CD1-CE2 3.93Å; F491-F495 HydrophobicContact CD1-CE2 3.93Å; F495-N503 WeakPolarHBondContact O-CB 3.36Å; F495-N503 PolarHBondContact O-ND2 3.42Å; F495-N510 PolarHBondContact O-ND2 3.03Å
496V82.2Confident84.7Confident18 Ų1861.8 Ų61.811%0.10932%0.318CS..  trans-80.8-32.2-176.1-177.10000112.5Y502 N503 A512V496-Y502 HydrophobicContact CG1-CD1 4.05Å; V496-Y502 HydrophobicContact CG1-CE1 4.34Å; V496-Y502 WeakPolarHBondContact O-CA 3.35Å; V496-N503 PolarHBondContact O-N 2.83Å; V496-A512 HydrophobicContact CG2-CB 4.27Å
497G85.3Confident83.8Confident31 Ų3162.6 Ų62.632%0.3234%0.336SS..EExtended strand (participates in β ladder)trans91.4-149.4-17100000111.8
498Y86.6Confident83.1Confident34 Ų3462.3 Ų62.313%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-137.2161.2177.765.9-85000110.9G500 M501 P697Y498-G500 PolarHBondContact O-N 2.84Å; Y498-G500 VanDerWaalsContact O-N 3.14Å; Y498-M501 HydrophobicContact CD1-CB 4.39Å; Y498-M501 HydrophobicContact CE1-CB 3.82Å; Y498-M501 HydrophobicContact CE1-CE 3.91Å; Y498-M501 HydrophobicContact CE1-CG 4.46Å; Y498-M501 HydrophobicContact CE2-CB 4.36Å; Y498-M501 PolarHBondContact N-O 3.02Å; Y498-M501 CarbonylContact O-C 3.56Å; Y498-M501 PolarHBondContact O-N 3.26Å; Y498-M501 WeakPolarHBondContact OH-CE 3.32Å; Y498-P697 HydrophobicContact CD2-CG 3.73Å; Y498-P697 HydrophobicContact CE2-CG 3.78Å
499P85.2Confident82.7Confident2 Ų263.5 Ų63.51%0.01334%0.342CS..THydrogen-bonded Turntrans-53.8120.2177.3-24.434.1000112.1C277 Y502 A696 P697 Y700 Y711C277-P499 HydrophobicContact CB-CG 4.31Å; P499-Y502 WeakPolarHBondContact CA-OH 3.23Å; P499-A696 HydrophobicContact CB-CB 4.28Å; P499-A696 HydrophobicContact CG-CB 4.47Å; P499-P697 WeakPolarHBondContact O-CD 3.21Å; P499-Y700 HydrophobicContact CB-CD1 3.81Å; P499-Y700 HydrophobicContact CB-CD2 3.96Å; P499-Y700 HydrophobicContact CB-CE1 4.03Å; P499-Y700 HydrophobicContact CB-CE2 4.19Å; P499-Y700 HydrophobicContact CB-CG 3.78Å; P499-Y711 HydrophobicContact CG-CD1 3.66Å; P499-Y711 HydrophobicContact CG-CD2 4.44Å; P499-Y711 HydrophobicContact CG-CE1 4.1Å; P499-Y711 HydrophobicContact CG-CG 3.86Å
500G79.9Confident82.1Confident43 Ų4365.3 Ų65.344%0.44335%0.351SS..THydrogen-bonded Turntrans107.9-34.8-174.800000114Y498Y498-G500 PolarHBondContact O-N 2.84Å; Y498-G500 VanDerWaalsContact O-N 3.14Å
501M85.1Confident81.4Confident121 Ų12164 Ų6460%0.59635%0.346SS*.EExtended strand (participates in β ladder)trans-134.282.9173.4-67.5-144.1-65.100110.3Y498Y498-M501 HydrophobicContact CD1-CB 4.39Å; Y498-M501 HydrophobicContact CE1-CB 3.82Å; Y498-M501 HydrophobicContact CE1-CE 3.91Å; Y498-M501 HydrophobicContact CE1-CG 4.46Å; Y498-M501 HydrophobicContact CE2-CB 4.36Å; Y498-M501 PolarHBondContact N-O 3.02Å; Y498-M501 CarbonylContact O-C 3.56Å; Y498-M501 PolarHBondContact O-N 3.26Å; Y498-M501 WeakPolarHBondContact OH-CE 3.32Å
502Y84.1Confident80.8Confident54 Ų5460.3 Ų60.321%0.21234%0.335CS..EExtended strand (participates in β ladder)trans-87.5138.8174.3-67.2-68.7000111.1V496 P499 T504 R509V496-Y502 HydrophobicContact CG1-CD1 4.05Å; V496-Y502 HydrophobicContact CG1-CE1 4.34Å; V496-Y502 WeakPolarHBondContact O-CA 3.35Å; P499-Y502 WeakPolarHBondContact CA-OH 3.23Å; Y502-T504 PolarHBondContact O-N 3.05Å; Y502-R509 HydrophobicContact CD1-CG 4.32Å; Y502-R509 HydrophobicContact CG-CG 4.17Å
503N84.4Confident80.5Confident87 Ų8761.5 Ų61.547%0.46535%0.345SS..  trans-75.1126.1169.8-69.6-14.7000109.1F495 V496 N510F495-N503 WeakPolarHBondContact O-CB 3.36Å; F495-N503 PolarHBondContact O-ND2 3.42Å; V496-N503 PolarHBondContact O-N 2.83Å; N503-N510 PolarHBondContact O-N 3.13Å
504T81.4Confident79.8Confident87 Ų8761.5 Ų61.553%0.53435%0.345SS..EExtended strand (participates in β ladder)trans-111136.6178.857.40000110.6Y502 I508Y502-T504 PolarHBondContact O-N 3.05Å; T504-I508 CarbonylContact C-O 3.56Å; T504-I508 WeakPolarHBondContact CA-O 3.05Å
505L75.8Confident78.8Confident74 Ų7458.1 Ų58.139%0.38734%0.341SS..EExtended strand (participates in β ladder)trans-108.4119.5171-171.773.6000107.2I399 G507 I508 N510I399-L505 HydrophobicContact CG2-CD2 4.13Å; L505-G507 PolarHBondContact O-N 3.06Å; L505-I508 PolarHBondContact N-O 3Å; L505-I508 PolarHBondContact O-N 3.22Å; L505-N510 WeakPolarHBondContact CB-OD1 3.5Å
506F75.5Confident77.9Confident170 Ų17053.3 Ų53.375%0.74633%0.325SS*.THydrogen-bonded Turntrans51.337.3-173.7-58.9-73.5000114.1L403 I508L403-F506 HydrophobicContact CD1-CD2 4.12Å; F506-I508 VanDerWaalsContact C-N 3.26Å; F506-I508 PolarHBondContact O-N 3.08Å
507G73.4Confident77.7Confident66 Ų6652.9 Ų52.968%0.6832%0.324SS*.THydrogen-bonded Turntrans78.9-0.7-179.800000115.2L505L505-G507 PolarHBondContact O-N 3.06Å
508I74.4Confident77.6Confident53 Ų5351.9 Ų51.927%0.27231%0.312SS..EExtended strand (participates in β ladder)trans-105.5140.8177.8-58.3173.9000109.7L403 I407 T504 L505 F506L403-I508 HydrophobicContact CD2-CD1 4.21Å; I407-I508 HydrophobicContact CD1-CD1 4.02Å; I407-I508 HydrophobicContact CG1-CD1 3.7Å; T504-I508 CarbonylContact C-O 3.56Å; T504-I508 WeakPolarHBondContact CA-O 3.05Å; L505-I508 PolarHBondContact N-O 3Å; L505-I508 PolarHBondContact O-N 3.22Å; F506-I508 VanDerWaalsContact C-N 3.26Å; F506-I508 PolarHBondContact O-N 3.08Å
509R78.1Confident77.5Confident41 Ų4150.8 Ų50.816%0.15531%0.309CS..EExtended strand (participates in β ladder)trans-66.6134178.6-167.2173.890.4157.527.3111.1P278 L279 Y502P278-R509 PolarHBondContact O-NH1 3.15Å; P278-R509 VanDerWaalsContact O-NH1 3.13Å; P278-R509 PolarHBondContact O-NH2 3.48Å; L279-R509 VanDerWaalsContact C-CZ 3.43Å; L279-R509 PolarHBondContact O-NH2 3.12Å; Y502-R509 HydrophobicContact CD1-CG 4.32Å; Y502-R509 HydrophobicContact CG-CG 4.17Å
510N78.6Confident77.4Confident44 Ų4451.9 Ų51.924%0.23531%0.314CS..PPolyproline II helixtrans-58.9145.4175.6-73.6-18.8000112.4F495 N503 L505 A512F495-N510 PolarHBondContact O-ND2 3.03Å; N503-N510 PolarHBondContact O-N 3.13Å; L505-N510 WeakPolarHBondContact CB-OD1 3.5Å; N510-A512 PolarHBondContact O-N 2.84Å
511E76.1Confident77.6Confident34 Ų3451.7 Ų51.716%0.15930%0.303CS..PPolyproline II helixtrans-68.7128.9-178.2-164.3-175.4167.900111.2R405 K492 G493R405-E511 IonicContact CZ-OE1 3.61Å; R405-E511 IonicContact NH1-OE1 2.73Å; R405-E511 PolarHBondContact NH1-OE1 3.02Å; R405-E511 IonicContact NH1-OE2 3.09Å; K492-E511 VanDerWaalsContact CE-CD 3.43Å; K492-E511 WeakPolarHBondContact CE-OE1 3.46Å; K492-E511 IonicContact NZ-OE1 3.14Å; K492-E511 PolarHBondContact NZ-OE1 2.77Å; K492-E511 VanDerWaalsContact NZ-OE1 3.14Å; G493-E511 PolarHBondContact N-O 3.24Å; G493-E511 VanDerWaalsContact N-O 3.16Å
512A76.4Confident77.7Confident30 Ų3045.9 Ų45.925%0.24827%0.274CS..PPolyproline II helixtrans-88156.917100000110.8L279 V496 N510L279-A512 HydrophobicContact CD2-CB 4.19Å; V496-A512 HydrophobicContact CG2-CB 4.27Å; N510-A512 PolarHBondContact O-N 2.84Å
513C77.8Confident77.8Confident41 Ų4143.5 Ų43.528%0.27727%0.265SS..PPolyproline II helixtrans-57.3148.5168.9-59.70000110.2C518C513-C518 VanDerWaalsContact CA-SG 3.6Å; C513-C518 HydrophobicContact CB-CB 4.07Å; C513-C518 WeakPolarHBondContact CB-SG 3.36Å; C513-C518 WeakPolarHBondContact SG-CB 3.46Å; C513-C518 CovalentContact SG-SG 2.03Å; C513-C518 PolarHBondContact SG-SG 2.8Å
514G68.6Low77.7Confident30 Ų3045.1 Ų45.131%0.30927%0.27SS..PPolyproline II helixtrans-58.2167.216700000111.7G516 G517 D521G514-G516 PolarHBondContact O-N 3.47Å; G514-G517 PolarHBondContact O-N 3.02Å; G514-D521 PolarHBondContact N-OD2 2.88Å
515A63.3Low77.8Confident41 Ų4142.5 Ų42.534%0.33925%0.252SS..THydrogen-bonded Turntrans-63.3-26.5-175.400000114.3W286 I291 G517W286-A515 HydrophobicContact CH2-CB 4.37Å; I291-A515 HydrophobicContact CB-CB 4.19Å; I291-A515 HydrophobicContact CD1-CB 3.31Å; I291-A515 HydrophobicContact CG1-CB 3.4Å; I291-A515 HydrophobicContact CG2-CB 3.7Å; I291-A515 WeakPolarHBondContact CG2-O 3.28Å; A515-G517 VanDerWaalsContact C-N 3.28Å; A515-G517 PolarHBondContact O-N 3.23Å
516G63.5Low78.2Confident18 Ų1839.1 Ų39.119%0.18623%0.234CC..THydrogen-bonded Turntrans-77.9-3.3172.800000115.6G514 I520G514-G516 PolarHBondContact O-N 3.47Å; G516-I520 VanDerWaalsContact O-CD1 3.25Å; G516-I520 WeakPolarHBondContact O-CD1 3.33Å
517G77.8Confident78.4Confident10 Ų1033.2 Ų33.210%0.10321%0.21CC..  trans89160.1-173.500000113.5G514 A515 L519G514-G517 PolarHBondContact O-N 3.02Å; A515-G517 VanDerWaalsContact C-N 3.28Å; A515-G517 PolarHBondContact O-N 3.23Å; G517-L519 VanDerWaalsContact C-N 3.27Å; G517-L519 PolarHBondContact O-N 2.99Å
518C84.2Confident78.6Confident9 Ų934 Ų346%0.06120%0.202CC..Hα-helixtrans-70.3-19.1-176-83.90000114C513 D521 L522 T668C513-C518 VanDerWaalsContact CA-SG 3.6Å; C513-C518 HydrophobicContact CB-CB 4.07Å; C513-C518 WeakPolarHBondContact CB-SG 3.36Å; C513-C518 WeakPolarHBondContact SG-CB 3.46Å; C513-C518 CovalentContact SG-SG 2.03Å; C513-C518 PolarHBondContact SG-SG 2.8Å; C518-D521 PolarHBondContact O-N 2.64Å; C518-L522 WeakPolarHBondContact O-CB 3.49Å; C518-L522 PolarHBondContact O-N 2.92Å; C518-T668 HydrophobicContact CB-CG2 4.27Å
519L84.2Confident78.7Confident12 Ų1232.8 Ų32.86%0.06320%0.195CC..Hα-helixtrans-69.8-35.2180-165.6132.8000112.2F301 D302 G517 L522 A523 A605 T668F301-L519 HydrophobicContact CB-CD2 3.74Å; D302-L519 HydrophobicContact CB-CD2 4.47Å; G517-L519 VanDerWaalsContact C-N 3.27Å; G517-L519 PolarHBondContact O-N 2.99Å; L519-L522 PolarHBondContact O-N 2.91Å; L519-A523 WeakPolarHBondContact O-CB 3.4Å; L519-A523 PolarHBondContact O-N 3.04Å; L519-A605 HydrophobicContact CG-CB 4.25Å; L519-T668 HydrophobicContact CB-CG2 4.31Å
520I83.6Confident78.6Confident25 Ų2531.9 Ų31.913%0.12819%0.193CC..Hα-helixtrans-70.6-44.3174.3-58177.9000110.5T294 G516 L522 A523 Q524T294-I520 HydrophobicContact CG2-CD1 4Å; T294-I520 WeakPolarHBondContact O-CD1 3.19Å; G516-I520 VanDerWaalsContact O-CD1 3.25Å; G516-I520 WeakPolarHBondContact O-CD1 3.33Å; I520-L522 PolarHBondContact O-N 2.95Å; I520-A523 PolarHBondContact O-N 3.41Å; I520-A523 VanDerWaalsContact O-N 3.16Å; I520-Q524 WeakPolarHBondContact O-CB 3.32Å; I520-Q524 PolarHBondContact O-N 2.74Å
521D82.8Confident78.4Confident38 Ų3832.8 Ų32.820%0.20320%0.2CC..Hα-helixtrans-55.1-42175.3-70.2-4.8000110.4I488 K492 G514 C518 E525I488-D521 HydrophobicContact CG2-CB 3.92Å; K492-D521 IonicContact NZ-OD2 2.73Å; K492-D521 PolarHBondContact NZ-OD2 3.43Å; G514-D521 PolarHBondContact N-OD2 2.88Å; C518-D521 PolarHBondContact O-N 2.64Å; D521-E525 WeakPolarHBondContact O-CB 3.33Å; D521-E525 PolarHBondContact O-N 2.93Å
522L86.9Confident78Confident0 Ų032.4 Ų32.40%021%0.206CC..Hα-helixtrans-66.7-47.6176179.461.5000112.1P485 I488 A489 C518 L519 I520 Q524 E525 L526 F602 A605 L664P485-L522 HydrophobicContact CB-CD1 3.78Å; I488-L522 HydrophobicContact CG2-CB 3.91Å; A489-L522 HydrophobicContact CB-CD2 3.93Å; C518-L522 WeakPolarHBondContact O-CB 3.49Å; C518-L522 PolarHBondContact O-N 2.92Å; L519-L522 PolarHBondContact O-N 2.91Å; I520-L522 PolarHBondContact O-N 2.95Å; L522-Q524 VanDerWaalsContact C-N 3.3Å; L522-Q524 PolarHBondContact O-N 3.33Å; L522-E525 PolarHBondContact O-N 2.75Å; L522-L526 HydrophobicContact CD1-CD1 4.17Å; L522-L526 HydrophobicContact CD1-CG 4.24Å; L522-L526 HydrophobicContact CG-CD1 3.99Å; L522-L526 HydrophobicContact CG-CG 4.49Å; L522-L526 VanDerWaalsContact O-CG 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.08Å; L522-L526 PolarHBondContact O-N 3.19Å; L522-F602 HydrophobicContact CD1-CD1 4.27Å; L522-F602 HydrophobicContact CD2-CD1 4.17Å; L522-A605 HydrophobicContact CB-CB 4.47Å; L522-A605 HydrophobicContact CD2-CB 3.61Å; L522-A605 HydrophobicContact CG-CB 3.9Å; L522-L664 HydrophobicContact CD2-CD2 3.83Å
523A87.3Confident77.5Confident3 Ų333.3 Ų33.33%0.02520%0.204CC..Hα-helixtrans-59.8-42178.600000111.8L519 I520 L526 L527 A605 C606L519-A523 WeakPolarHBondContact O-CB 3.4Å; L519-A523 PolarHBondContact O-N 3.04Å; I520-A523 PolarHBondContact O-N 3.41Å; I520-A523 VanDerWaalsContact O-N 3.16Å; A523-L526 PolarHBondContact O-N 3.11Å; A523-L527 WeakPolarHBondContact O-CB 3.34Å; A523-L527 VanDerWaalsContact O-CG 3.27Å; A523-L527 WeakPolarHBondContact O-CG 3.01Å; A523-L527 PolarHBondContact O-N 3.41Å; A523-A605 WeakPolarHBondContact CB-O 3.25Å; A523-C606 HydrophobicContact CB-CB 4.25Å
524Q82.1Confident76.8Confident122 Ų12232.1 Ų32.157%0.5719%0.194SC*.Hα-helixtrans-62.8-48.1175.5-179.4-179.9-23.900111.4I520 L522 L526 L527 V528I520-Q524 WeakPolarHBondContact O-CB 3.32Å; I520-Q524 PolarHBondContact O-N 2.74Å; L522-Q524 VanDerWaalsContact C-N 3.3Å; L522-Q524 PolarHBondContact O-N 3.33Å; Q524-L526 VanDerWaalsContact C-N 3.32Å; Q524-L526 PolarHBondContact O-N 3.4Å; Q524-L527 PolarHBondContact O-N 2.84Å; Q524-V528 HydrophobicContact CG-CG2 4.42Å; Q524-V528 WeakPolarHBondContact O-CB 3.4Å; Q524-V528 VanDerWaalsContact O-CG2 3.29Å; Q524-V528 WeakPolarHBondContact O-CG2 3.1Å; Q524-V528 PolarHBondContact O-N 3.02Å
525E82.8Confident76.6Confident31 Ų3133.5 Ų33.515%0.14520%0.199CC..Hα-helixtrans-60-43.6178.4-173.968.3-176.400111.3T484 I488 D521 L522 L527 V528 I529T484-E525 HydrophobicContact CG2-CG 4.36Å; I488-E525 HydrophobicContact CD1-CB 4.05Å; I488-E525 HydrophobicContact CD1-CG 4.02Å; D521-E525 WeakPolarHBondContact O-CB 3.33Å; D521-E525 PolarHBondContact O-N 2.93Å; L522-E525 PolarHBondContact O-N 2.75Å; E525-L527 PolarHBondContact O-N 3.07Å; E525-V528 PolarHBondContact O-N 2.93Å; E525-I529 HydrophobicContact CG-CD1 3.86Å; E525-I529 WeakPolarHBondContact O-CB 3.23Å; E525-I529 VanDerWaalsContact O-CG1 3.28Å; E525-I529 WeakPolarHBondContact O-CG1 3.36Å; E525-I529 PolarHBondContact O-N 2.98Å
526L84.6Confident76.6Confident3 Ų335.6 Ų35.62%0.01620%0.204CC..Hα-helixtrans-62-44176.2-69.2167.9000112P485 L522 A523 Q524 I529 M530 F598 F602 A605P485-L526 HydrophobicContact CB-CD2 4.45Å; P485-L526 HydrophobicContact CG-CD2 4.41Å; L522-L526 HydrophobicContact CD1-CD1 4.17Å; L522-L526 HydrophobicContact CD1-CG 4.24Å; L522-L526 HydrophobicContact CG-CD1 3.99Å; L522-L526 HydrophobicContact CG-CG 4.49Å; L522-L526 VanDerWaalsContact O-CG 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.08Å; L522-L526 PolarHBondContact O-N 3.19Å; A523-L526 PolarHBondContact O-N 3.11Å; Q524-L526 VanDerWaalsContact C-N 3.32Å; Q524-L526 PolarHBondContact O-N 3.4Å; L526-I529 PolarHBondContact O-N 3.29Å; L526-M530 VanDerWaalsContact O-CB 3.24Å; L526-M530 WeakPolarHBondContact O-CB 3.38Å; L526-M530 VanDerWaalsContact O-CG 3.24Å; L526-M530 WeakPolarHBondContact O-CG 3.25Å; L526-M530 PolarHBondContact O-N 2.78Å; L526-F598 HydrophobicContact CD2-CD1 3.73Å; L526-F598 HydrophobicContact CD2-CE1 4.43Å; L526-F602 HydrophobicContact CD1-CB 3.46Å; L526-F602 VanDerWaalsContact CD1-CB 3.46Å; L526-F602 HydrophobicContact CD1-CG 4.16Å; L526-F602 HydrophobicContact CD2-CB 4.2Å; L526-F602 HydrophobicContact CD2-CD2 3.94Å; L526-F602 HydrophobicContact CD2-CG 4.18Å; L526-F602 HydrophobicContact CG-CB 4.47Å; L526-A605 HydrophobicContact CD1-CB 4.24Å
527L80.7Confident76.6Confident47 Ų4737.3 Ų37.325%0.24621%0.209CC..Hα-helixtrans-64.3-41.9176.7-72.5172.9000111.6A523 Q524 E525 V531 F612A523-L527 WeakPolarHBondContact O-CB 3.34Å; A523-L527 VanDerWaalsContact O-CG 3.27Å; A523-L527 WeakPolarHBondContact O-CG 3.01Å; A523-L527 PolarHBondContact O-N 3.41Å; Q524-L527 PolarHBondContact O-N 2.84Å; E525-L527 PolarHBondContact O-N 3.07Å; L527-V531 WeakPolarHBondContact O-CB 3.37Å; L527-V531 WeakPolarHBondContact O-CG2 3.49Å; L527-V531 PolarHBondContact O-N 3.23Å; L527-F612 HydrophobicContact CD2-CD2 3.42Å; L527-F612 VanDerWaalsContact CD2-CD2 3.42Å; L527-F612 HydrophobicContact CD2-CE2 3.25Å; L527-F612 HydrophobicContact CD2-CG 4.46Å; L527-F612 HydrophobicContact CD2-CZ 4.19Å
528V77.5Confident76Confident82 Ų8237.7 Ų37.750%0.49721%0.21SC..Iπ-helixtrans-63.6-42.9176.3170.90000110.8Q524 E525 G532Q524-V528 HydrophobicContact CG-CG2 4.42Å; Q524-V528 WeakPolarHBondContact O-CB 3.4Å; Q524-V528 VanDerWaalsContact O-CG2 3.29Å; Q524-V528 WeakPolarHBondContact O-CG2 3.1Å; Q524-V528 PolarHBondContact O-N 3.02Å; E525-V528 PolarHBondContact O-N 2.93Å; V528-G532 WeakPolarHBondContact O-CA 3.23Å; V528-G532 PolarHBondContact O-N 3.1Å
529I76.1Confident75.1Confident27 Ų2741.7 Ų41.714%0.13823%0.23CC..Iπ-helixtrans-68.8-50.3178.1-67169.4000110.5P485 E525 L526 K533 F598P485-I529 HydrophobicContact CG-CD1 4.22Å; E525-I529 HydrophobicContact CG-CD1 3.86Å; E525-I529 WeakPolarHBondContact O-CB 3.23Å; E525-I529 VanDerWaalsContact O-CG1 3.28Å; E525-I529 WeakPolarHBondContact O-CG1 3.36Å; E525-I529 PolarHBondContact O-N 2.98Å; L526-I529 PolarHBondContact O-N 3.29Å; I529-K533 WeakPolarHBondContact O-CB 3.41Å; I529-K533 PolarHBondContact O-N 3.23Å; I529-F598 HydrophobicContact CG2-CE1 4.17Å; I529-F598 HydrophobicContact CG2-CE2 3.91Å; I529-F598 HydrophobicContact CG2-CZ 3.63Å
530M75.6Confident73.9Confident23 Ų2345.1 Ų45.111%0.11325%0.248CC..Iπ-helixtrans-67.9-45.6-176.2-70.7178.263.900112.6L526 Q534 F598 I599 A609 A613L526-M530 VanDerWaalsContact O-CB 3.24Å; L526-M530 WeakPolarHBondContact O-CB 3.38Å; L526-M530 VanDerWaalsContact O-CG 3.24Å; L526-M530 WeakPolarHBondContact O-CG 3.25Å; L526-M530 PolarHBondContact O-N 2.78Å; M530-Q534 WeakPolarHBondContact O-CB 3.29Å; M530-F598 HydrophobicContact CG-CB 4.06Å; M530-F598 HydrophobicContact CG-CD2 4.36Å; M530-F598 HydrophobicContact CG-CG 4.28Å; M530-F598 HydrophobicContact SD-CB 3.9Å; M530-I599 HydrophobicContact CE-CG2 3.68Å; M530-A609 HydrophobicContact CE-CB 4.13Å; M530-A609 WeakPolarHBondContact CE-O 3.44Å; M530-A609 HydrophobicContact SD-CB 4.08Å; M530-A613 HydrophobicContact CE-CB 4.21Å
531V74.3Confident72.7Confident63 Ų6345.4 Ų45.438%0.38225%0.25SS..Iπ-helixtrans-80.2-41.9179.9-1790000110.4L527 S535 F612L527-V531 WeakPolarHBondContact O-CB 3.37Å; L527-V531 WeakPolarHBondContact O-CG2 3.49Å; L527-V531 PolarHBondContact O-N 3.23Å; V531-S535 VanDerWaalsContact O-CB 3.23Å; V531-S535 WeakPolarHBondContact O-CB 3.47Å; V531-S535 PolarHBondContact O-N 3.24Å; V531-S535 PolarHBondContact O-OG 3.47Å; V531-F612 HydrophobicContact CG2-CD1 4.37Å; V531-F612 HydrophobicContact CG2-CG 4.37Å
532G67.6Low71.9Confident26 Ų2646.8 Ų46.827%0.26826%0.257SS..Iπ-helixtrans-71.6-50.4-175.600000113.1V528 Q534 S535 L536V528-G532 WeakPolarHBondContact O-CA 3.23Å; V528-G532 PolarHBondContact O-N 3.1Å; G532-Q534 PolarHBondContact O-N 3.42Å; G532-S535 PolarHBondContact O-N 2.99Å; G532-L536 VanDerWaalsContact O-CB 3.31Å; G532-L536 WeakPolarHBondContact O-CB 3.17Å; G532-L536 WeakPolarHBondContact O-CG 3.4Å; G532-L536 PolarHBondContact O-N 3.16Å
533K65.7Low70.8Confident48 Ų4850 Ų5021%0.20928%0.277CS..Hα-helixtrans-58.4-42.1176-175.7-173.5170.5-172.20110.4F481 I529 L536 N537F481-K533 HydrophobicContact CE1-CD 4.39Å; I529-K533 WeakPolarHBondContact O-CB 3.41Å; I529-K533 PolarHBondContact O-N 3.23Å; K533-L536 PolarHBondContact O-N 2.71Å; K533-N537 VanDerWaalsContact O-CB 3.28Å; K533-N537 WeakPolarHBondContact O-CB 3.42Å; K533-N537 PolarHBondContact O-N 3.02Å
534Q64.8Low69.8Low16 Ų1654 Ų548%0.07530%0.297CS..Hα-helixtrans-70.5-45.5-176.9-162.266.32900113.2M530 G532 L536 N537 S538 E591 N616 E620M530-Q534 WeakPolarHBondContact O-CB 3.29Å; G532-Q534 PolarHBondContact O-N 3.42Å; Q534-L536 VanDerWaalsContact C-N 3.27Å; Q534-L536 PolarHBondContact O-N 3.38Å; Q534-N537 PolarHBondContact O-N 3Å; Q534-S538 WeakPolarHBondContact O-CB 3.38Å; Q534-S538 PolarHBondContact O-N 2.89Å; Q534-S538 PolarHBondContact O-OG 3.17Å; Q534-E591 VanDerWaalsContact CD-OE1 3.3Å; Q534-E591 PolarHBondContact NE2-OE1 3.47Å; Q534-E591 PolarHBondContact OE1-OE1 3.21Å; Q534-N616 HydrophobicContact CG-CB 4.05Å; Q534-N616 WeakPolarHBondContact CG-ND2 3.43Å; Q534-N616 WeakPolarHBondContact CG-OD1 3.32Å; Q534-N616 VanDerWaalsContact NE2-CG 3.31Å; Q534-N616 PolarHBondContact NE2-ND2 2.91Å; Q534-N616 PolarHBondContact NE2-OD1 3.37Å; Q534-N616 PolarHBondContact OE1-ND2 3.16Å; Q534-E620 PolarHBondContact NE2-OE2 2.9Å; Q534-E620 VanDerWaalsContact NE2-OE2 3.09Å
535S64.3Low69Low59 Ų5949.2 Ų49.241%0.41328%0.275SS..Hα-helixtrans-62.4-40.3177.2-57.40000110.7V531 G532 I539V531-S535 VanDerWaalsContact O-CB 3.23Å; V531-S535 WeakPolarHBondContact O-CB 3.47Å; V531-S535 PolarHBondContact O-N 3.24Å; V531-S535 PolarHBondContact O-OG 3.47Å; G532-S535 PolarHBondContact O-N 2.99Å; S535-I539 VanDerWaalsContact O-CB 3.31Å; S535-I539 WeakPolarHBondContact O-CB 3.37Å; S535-I539 VanDerWaalsContact O-CD1 3.31Å; S535-I539 WeakPolarHBondContact O-CD1 3.35Å; S535-I539 WeakPolarHBondContact O-CG1 3.02Å; S535-I539 PolarHBondContact O-N 3.25Å
536L63Low68.5Low86 Ų8653.5 Ų53.545%0.4529%0.293SS..Hα-helixtrans-67.7-42.4175.7-68.5173000111.8G532 K533 Q534 I539 D540G532-L536 VanDerWaalsContact O-CB 3.31Å; G532-L536 WeakPolarHBondContact O-CB 3.17Å; G532-L536 WeakPolarHBondContact O-CG 3.4Å; G532-L536 PolarHBondContact O-N 3.16Å; K533-L536 PolarHBondContact O-N 2.71Å; Q534-L536 VanDerWaalsContact C-N 3.27Å; Q534-L536 PolarHBondContact O-N 3.38Å; L536-I539 PolarHBondContact O-N 2.99Å; L536-D540 VanDerWaalsContact O-CB 3.26Å; L536-D540 WeakPolarHBondContact O-CB 3.43Å; L536-D540 PolarHBondContact O-N 2.79Å
537N63.4Low67.9Low53 Ų5357.6 Ų57.628%0.28332%0.318SS..Hα-helixtrans-63.9-45.3175.8-86.19.3000111.4K533 Q534 I539 D540 L541 E591K533-N537 VanDerWaalsContact O-CB 3.28Å; K533-N537 WeakPolarHBondContact O-CB 3.42Å; K533-N537 PolarHBondContact O-N 3.02Å; Q534-N537 PolarHBondContact O-N 3Å; N537-I539 VanDerWaalsContact C-N 3.33Å; N537-I539 PolarHBondContact O-N 3.28Å; N537-D540 PolarHBondContact O-N 3.45Å; N537-L541 WeakPolarHBondContact O-CB 3.37Å; N537-L541 PolarHBondContact O-N 3.23Å; N537-E591 PolarHBondContact ND2-OE2 2.96Å
538S65.3Low67.5Low19 Ų1960.1 Ų60.113%0.13333%0.327CS..Hα-helixtrans-63.4-37.9176-55.80000112.1Q534 I542Q534-S538 WeakPolarHBondContact O-CB 3.38Å; Q534-S538 PolarHBondContact O-N 2.89Å; Q534-S538 PolarHBondContact O-OG 3.17Å; S538-I542 WeakPolarHBondContact O-CD1 3.47Å; S538-I542 VanDerWaalsContact O-CG1 3.25Å; S538-I542 WeakPolarHBondContact O-CG1 3.47Å; S538-I542 PolarHBondContact O-N 3.16Å; S538-I542 VanDerWaalsContact O-N 3.08Å
539I65.4Low67Low92 Ų9257 Ų5747%0.47231%0.31SS..Hα-helixtrans-69.4-47.9176.1-70.6165.2000110.7S535 L536 N537 L541 I542 T543S535-I539 VanDerWaalsContact O-CB 3.31Å; S535-I539 WeakPolarHBondContact O-CB 3.37Å; S535-I539 VanDerWaalsContact O-CD1 3.31Å; S535-I539 WeakPolarHBondContact O-CD1 3.35Å; S535-I539 WeakPolarHBondContact O-CG1 3.02Å; S535-I539 PolarHBondContact O-N 3.25Å; L536-I539 PolarHBondContact O-N 2.99Å; N537-I539 VanDerWaalsContact C-N 3.33Å; N537-I539 PolarHBondContact O-N 3.28Å; I539-L541 VanDerWaalsContact C-N 3.28Å; I539-L541 PolarHBondContact O-N 2.96Å; I539-I542 PolarHBondContact O-N 2.9Å; I539-T543 HydrophobicContact CG2-CG2 4.04Å; I539-T543 VanDerWaalsContact O-CB 3.29Å; I539-T543 WeakPolarHBondContact O-CB 3.44Å; I539-T543 WeakPolarHBondContact O-CG2 3.23Å; I539-T543 PolarHBondContact O-N 3.01Å; I539-T543 PolarHBondContact O-OG1 3.43Å
540D57.4Low67Low84 Ų8463.1 Ų63.145%0.44933%0.331SS..Hα-helixtrans-61.6-38.8176.7-81.6-11.4000110.5L536 N537 L544L536-D540 VanDerWaalsContact O-CB 3.26Å; L536-D540 WeakPolarHBondContact O-CB 3.43Å; L536-D540 PolarHBondContact O-N 2.79Å; N537-D540 PolarHBondContact O-N 3.45Å; D540-L544 WeakPolarHBondContact O-CA 3.13Å; D540-L544 WeakPolarHBondContact O-CB 3.42Å; D540-L544 PolarHBondContact O-N 3.26Å
541L59.1Low67Low32 Ų3270 Ų7017%0.16836%0.356CS..Hα-helixtrans-58.7-54.1174.5-156.581.4000110.4N537 I539 Q545 L623N537-L541 WeakPolarHBondContact O-CB 3.37Å; N537-L541 PolarHBondContact O-N 3.23Å; I539-L541 VanDerWaalsContact C-N 3.28Å; I539-L541 PolarHBondContact O-N 2.96Å; L541-Q545 WeakPolarHBondContact O-CB 3.41Å; L541-Q545 WeakPolarHBondContact O-CG 3.38Å; L541-Q545 PolarHBondContact O-N 3.33Å; L541-Q545 PolarHBondContact O-OE1 3.14Å; L541-L623 HydrophobicContact CD2-CB 4.22Å
542I66.6Low66.8Low67 Ų6769.4 Ų69.434%0.34435%0.349SS..Hα-helixtrans-70.5-42.1-175.8-64.3166.4000111.4S538 I539 K546 L623S538-I542 WeakPolarHBondContact O-CD1 3.47Å; S538-I542 VanDerWaalsContact O-CG1 3.25Å; S538-I542 WeakPolarHBondContact O-CG1 3.47Å; S538-I542 PolarHBondContact O-N 3.16Å; S538-I542 VanDerWaalsContact O-N 3.08Å; I539-I542 PolarHBondContact O-N 2.9Å; I542-K546 HydrophobicContact CG2-CD 4.18Å; I542-K546 WeakPolarHBondContact O-CB 3.32Å; I542-K546 WeakPolarHBondContact O-CD 3.36Å; I542-K546 WeakPolarHBondContact O-CG 3.49Å; I542-K546 PolarHBondContact O-N 2.82Å; I542-L623 HydrophobicContact CD1-CD2 3.89Å; I542-L623 HydrophobicContact CG1-CD2 4.14Å
543T63.3Low66.9Low68 Ų6873.6 Ų73.642%0.41736%0.357SS..Hα-helixtrans-82-48.5-17459.40000111.6I539 K546 V547I539-T543 HydrophobicContact CG2-CG2 4.04Å; I539-T543 VanDerWaalsContact O-CB 3.29Å; I539-T543 WeakPolarHBondContact O-CB 3.44Å; I539-T543 WeakPolarHBondContact O-CG2 3.23Å; I539-T543 PolarHBondContact O-N 3.01Å; I539-T543 PolarHBondContact O-OG1 3.43Å; T543-K546 PolarHBondContact O-N 3.48Å; T543-V547 VanDerWaalsContact O-CB 3.23Å; T543-V547 WeakPolarHBondContact O-CB 3.36Å; T543-V547 WeakPolarHBondContact O-CG2 3.36Å; T543-V547 PolarHBondContact O-N 3.47Å
544L65.4Low67.2Low85 Ų8574.7 Ų74.745%0.44537%0.365SS..Hα-helixtrans-71.7-35.5-176.2-155.9117.5000111.4D540 K548D540-L544 WeakPolarHBondContact O-CA 3.13Å; D540-L544 WeakPolarHBondContact O-CB 3.42Å; D540-L544 PolarHBondContact O-N 3.26Å; L544-K548 HydrophobicContact CD2-CD 3.96Å; L544-K548 VanDerWaalsContact O-CB 3.23Å; L544-K548 WeakPolarHBondContact O-CB 3.25Å; L544-K548 VanDerWaalsContact O-CG 3.23Å; L544-K548 WeakPolarHBondContact O-CG 3.33Å; L544-K548 PolarHBondContact O-N 2.95Å
545Q66.6Low67.3Low23 Ų2380 Ų8011%0.10739%0.388CS..Hα-helixtrans-71.3-42.5174.6-62.4-173.3-40.500111.5L541 V547 K548 A549 L580 E631L541-Q545 WeakPolarHBondContact O-CB 3.41Å; L541-Q545 WeakPolarHBondContact O-CG 3.38Å; L541-Q545 PolarHBondContact O-N 3.33Å; L541-Q545 PolarHBondContact O-OE1 3.14Å; Q545-V547 VanDerWaalsContact C-N 3.33Å; Q545-V547 PolarHBondContact O-N 3.35Å; Q545-K548 PolarHBondContact O-N 3.23Å; Q545-A549 WeakPolarHBondContact O-CB 3.45Å; Q545-A549 PolarHBondContact O-N 3.41Å; Q545-L580 HydrophobicContact CB-CD1 3.71Å; Q545-L580 HydrophobicContact CG-CD1 4.08Å; Q545-E631 WeakPolarHBondContact CB-OE2 3.4Å; Q545-E631 PolarHBondContact OE1-OE2 3.36Å
546K71.6Confident67.2Low121 Ų12178.7 Ų78.753%0.52638%0.376SS..Hα-helixtrans-64.9-37.7174-74.3-179.8-179.1175.90112.5I542 T543 W550I542-K546 HydrophobicContact CG2-CD 4.18Å; I542-K546 WeakPolarHBondContact O-CB 3.32Å; I542-K546 WeakPolarHBondContact O-CD 3.36Å; I542-K546 WeakPolarHBondContact O-CG 3.49Å; I542-K546 PolarHBondContact O-N 2.82Å; T543-K546 PolarHBondContact O-N 3.48Å; K546-W550 WeakPolarHBondContact O-CA 3.37Å; K546-W550 WeakPolarHBondContact O-CB 3.38Å; K546-W550 PolarHBondContact O-N 3.36Å
547V72.9Confident67.1Low89 Ų8983.4 Ų83.454%0.53939%0.387SS..Hα-helixtrans-68.7-44.1175.3169.50000110.6T543 Q545 W550 W551T543-V547 VanDerWaalsContact O-CB 3.23Å; T543-V547 WeakPolarHBondContact O-CB 3.36Å; T543-V547 WeakPolarHBondContact O-CG2 3.36Å; T543-V547 PolarHBondContact O-N 3.47Å; Q545-V547 VanDerWaalsContact C-N 3.33Å; Q545-V547 PolarHBondContact O-N 3.35Å; V547-W550 PolarHBondContact O-N 3.37Å; V547-W551 WeakPolarHBondContact O-CB 3.07Å; V547-W551 PolarHBondContact O-N 3.27Å
548K71.2Confident66.5Low99 Ų9983.4 Ų83.443%0.4339%0.389SS..Hα-helixtrans-62.5-45.5174.8-79.4176.6174.4174.80111.5L544 Q545 W551 Q552 L580L544-K548 HydrophobicContact CD2-CD 3.96Å; L544-K548 VanDerWaalsContact O-CB 3.23Å; L544-K548 WeakPolarHBondContact O-CB 3.25Å; L544-K548 VanDerWaalsContact O-CG 3.23Å; L544-K548 WeakPolarHBondContact O-CG 3.33Å; L544-K548 PolarHBondContact O-N 2.95Å; Q545-K548 PolarHBondContact O-N 3.23Å; K548-W551 PolarHBondContact O-N 3.01Å; K548-Q552 WeakPolarHBondContact O-CB 3.33Å; K548-Q552 WeakPolarHBondContact O-CG 3.45Å; K548-Q552 PolarHBondContact O-N 2.92Å; K548-L580 HydrophobicContact CB-CD2 3.83Å; K548-L580 HydrophobicContact CD-CD2 4.35Å
549A68.4Low65.6Low17 Ų1788 Ų8814%0.1442%0.418CS..Hα-helixtrans-64.4-41.3176.400000111.2Q545 R553Q545-A549 WeakPolarHBondContact O-CB 3.45Å; Q545-A549 PolarHBondContact O-N 3.41Å; A549-R553 VanDerWaalsContact O-CB 3.25Å; A549-R553 WeakPolarHBondContact O-CB 3.43Å; A549-R553 WeakPolarHBondContact O-CG 3.4Å; A549-R553 PolarHBondContact O-N 3.02Å
550W75.2Confident64.6Low155 Ų15591 Ų9159%0.58743%0.43SS*.Hα-helixtrans-63.8-42.3173.7178.789.5000111.5K546 V547 R553 N554K546-W550 WeakPolarHBondContact O-CA 3.37Å; K546-W550 WeakPolarHBondContact O-CB 3.38Å; K546-W550 PolarHBondContact O-N 3.36Å; V547-W550 PolarHBondContact O-N 3.37Å; W550-R553 PolarHBondContact O-N 3.27Å; W550-N554 WeakPolarHBondContact CH2-ND2 3.48Å; W550-N554 WeakPolarHBondContact CZ2-ND2 3.43Å; W550-N554 VanDerWaalsContact O-CB 3.32Å; W550-N554 WeakPolarHBondContact O-CB 3.33Å; W550-N554 PolarHBondContact O-N 2.98Å
551W75.3Confident63.9Low167 Ų16794.5 Ų94.563%0.63345%0.446SS*.Hα-helixtrans-69.1-40.9178.7-165.958.4000111.6V547 K548 N554 K555V547-W551 WeakPolarHBondContact O-CB 3.07Å; V547-W551 PolarHBondContact O-N 3.27Å; K548-W551 PolarHBondContact O-N 3.01Å; W551-N554 PolarHBondContact O-N 3.13Å; W551-K555 WeakPolarHBondContact O-CB 3.47Å; W551-K555 PolarHBondContact O-N 3.36Å
552Q69.8Low62.9Low51 Ų5197 Ų9724%0.23847%0.472CS..Hα-helixtrans-62.5-46.5171.7-79.7-179.2-49.500111.4K548 N554 K555 M556 L580K548-Q552 WeakPolarHBondContact O-CB 3.33Å; K548-Q552 WeakPolarHBondContact O-CG 3.45Å; K548-Q552 PolarHBondContact O-N 2.92Å; Q552-N554 PolarHBondContact O-N 3.34Å; Q552-K555 WeakPolarHBondContact O-CB 3.46Å; Q552-K555 PolarHBondContact O-N 2.85Å; Q552-M556 WeakPolarHBondContact O-CG 3.41Å; Q552-M556 PolarHBondContact O-N 2.88Å; Q552-L580 VanDerWaalsContact OE1-CD2 3.28Å
553R70.8Confident61.5Low114 Ų11497.2 Ų97.243%0.4349%0.49SS..Hα-helixtrans-60.6-43.8175.6-77.4174.8-178.8168.37.3112.1A549 W550 M556 R557A549-R553 VanDerWaalsContact O-CB 3.25Å; A549-R553 WeakPolarHBondContact O-CB 3.43Å; A549-R553 WeakPolarHBondContact O-CG 3.4Å; A549-R553 PolarHBondContact O-N 3.02Å; W550-R553 PolarHBondContact O-N 3.27Å; R553-M556 CarbonylContact O-C 3.48Å; R553-M556 PolarHBondContact O-N 3.35Å; R553-R557 WeakPolarHBondContact O-CB 2.83Å; R553-R557 WeakPolarHBondContact O-CG 3.34Å; R553-R557 PolarHBondContact O-N 3.46Å
554N71.5Confident60.1Low72 Ų7299.5 Ų99.539%0.38550%0.504SS..Hα-helixtrans-71.2-31.8177.3-81.86.9000112.8W550 W551 Q552 M556W550-N554 WeakPolarHBondContact CH2-ND2 3.48Å; W550-N554 WeakPolarHBondContact CZ2-ND2 3.43Å; W550-N554 VanDerWaalsContact O-CB 3.32Å; W550-N554 WeakPolarHBondContact O-CB 3.33Å; W550-N554 PolarHBondContact O-N 2.98Å; W551-N554 PolarHBondContact O-N 3.13Å; Q552-N554 PolarHBondContact O-N 3.34Å; N554-M556 PolarHBondContact O-N 3.16Å
555K67.1Low58.7Low128 Ų128103.8 Ų103.856%0.55752%0.522SS*.Hα-helixtrans-65.4-30.4171.5-173.3179.5179.7-175.80111.5W551 Q552W551-K555 WeakPolarHBondContact O-CB 3.47Å; W551-K555 PolarHBondContact O-N 3.36Å; Q552-K555 WeakPolarHBondContact O-CB 3.46Å; Q552-K555 PolarHBondContact O-N 2.85Å
556M61.2Low57.2Low31 Ų31108.2 Ų108.215%0.15355%0.551CS.*Hα-helixtrans-89.1-28.7176.4-66.3-158.5-123.900114Q552 R553 N554 T558 Y577 E578Q552-M556 WeakPolarHBondContact O-CG 3.41Å; Q552-M556 PolarHBondContact O-N 2.88Å; R553-M556 CarbonylContact O-C 3.48Å; R553-M556 PolarHBondContact O-N 3.35Å; N554-M556 PolarHBondContact O-N 3.16Å; M556-T558 PolarHBondContact O-N 2.9Å; M556-Y577 HydrophobicContact CE-CD1 3.82Å; M556-Y577 HydrophobicContact CE-CE1 4.11Å; M556-Y577 HydrophobicContact SD-CD1 3.78Å; M556-Y577 HydrophobicContact SD-CE1 4.11Å; M556-E578 HydrophobicContact CE-CB 4.08Å; M556-E578 HydrophobicContact CE-CG 3.68Å; M556-E578 HydrophobicContact SD-CG 3.8Å
557R61.3Low55.5Low184 Ų184111.9 Ų111.969%0.69457%0.572SS**  trans-83.494.5175.3-76.1-177172-168-4.9111.4R553R553-R557 WeakPolarHBondContact O-CB 2.83Å; R553-R557 WeakPolarHBondContact O-CG 3.34Å; R553-R557 PolarHBondContact O-N 3.46Å
558T51.3Low54.1Low54 Ų54116.1 Ų116.133%0.33159%0.588SS.*  trans-75.6148.8167.5-1.30000111.9V46 M556 Q560V46-T558 HydrophobicContact CB-CG2 4.1Å; V46-T558 HydrophobicContact CG2-CG2 3.82Å; M556-T558 PolarHBondContact O-N 2.9Å; T558-Q560 PolarHBondContact O-N 2.74Å
559P46.8Very low53.5Low114 Ų114119.3 Ų119.374%0.7461%0.61SS**G310 helixtrans-65.5-11.7-172.2-19.931.6000116.4M561 A562P559-M561 PolarHBondContact O-N 3.23Å; P559-A562 PolarHBondContact O-N 2.94Å
560Q43.4Very low53.7Low155 Ų155122.7 Ų122.772%0.72463%0.628SS**G310 helixtrans-74.5-9.5-176.7-81.4177.5-18.600114.2T558 A562T558-Q560 PolarHBondContact O-N 2.74Å; Q560-A562 VanDerWaalsContact C-N 3.34Å
561M43.7Very low54.2Low159 Ų159116.2 Ų116.278%0.78361%0.607SS**G310 helixtrans-91.714.9173.2-70.1-174.4177.300113.7P559P559-M561 PolarHBondContact O-N 3.23Å
562A38.4Very low54.7Low85 Ų85112 Ų11270%0.70260%0.601SS**G310 helixtrans-82.2-17.1171.200000113P559 Q560P559-A562 PolarHBondContact O-N 2.94Å; Q560-A562 VanDerWaalsContact C-N 3.34Å
563G35.6Very low55.6Low70 Ų70111.9 Ų111.972%0.72260%0.599SS**SBendtrans-101.1-2.3-17300000116.4
564T35.6Very low56.4Low116 Ų116109.2 Ų109.271%0.71259%0.591SS**  trans-148.260.8-177.5-31.10000110.6T566T564-T566 VanDerWaalsContact C-N 3.3Å; T564-T566 PolarHBondContact O-N 2.91Å; T564-T566 VanDerWaalsContact O-N 3.11Å
565Q36.2Very low57.1Low175 Ų175107.7 Ų107.782%0.81859%0.588SS**  trans-80.481.1168.2-74-175-1.800109.7
566T33.5Very low58.2Low117 Ų117102 Ų10272%0.71856%0.564SS**  trans-92.9130.6137.8-2.70000105.4T564 M568T564-T566 VanDerWaalsContact C-N 3.3Å; T564-T566 PolarHBondContact O-N 2.91Å; T564-T566 VanDerWaalsContact O-N 3.11Å; T566-M568 VanDerWaalsContact C-N 3.25Å; T566-M568 PolarHBondContact O-N 2.97Å
567M36.5Very low59.4Low198 Ų198101 Ų10198%0.97556%0.558SS**  trans-59.384178.2-66.3-174.4172.800110.4D569M567-D569 PolarHBondContact O-N 3.41Å
568M43.8Very low60.6Low177 Ų17794.4 Ų94.487%0.87254%0.535SS*.  trans-76.5114.5160.7-87-175.5162.400106.6T566 V570T566-M568 VanDerWaalsContact C-N 3.25Å; T566-M568 PolarHBondContact O-N 2.97Å; M568-V570 PolarHBondContact O-N 3.4Å; M568-V570 VanDerWaalsContact O-N 3.11Å
569D58.6Low62.3Low167 Ų16792.6 Ų92.689%0.89352%0.524SS*.  trans-48115.9174.1-121-14.2000109.2M567 S571M567-D569 PolarHBondContact O-N 3.41Å; D569-S571 PolarHBondContact O-N 3.39Å
570V72Confident64.2Low87 Ų8788 Ų8853%0.52749%0.493SS..  trans-62.1129.7175.7177.60000107.3M568 E574 A575M568-V570 PolarHBondContact O-N 3.4Å; M568-V570 VanDerWaalsContact O-N 3.11Å; V570-E574 HydrophobicContact CG1-CB 3.86Å; V570-A575 HydrophobicContact CG1-CB 4.23Å
571S85.2Confident66.2Low20 Ų2084.7 Ų84.714%0.1448%0.483CS..  trans-62.2147.3-177690000111.1D569 W573 E574 A575D569-S571 PolarHBondContact O-N 3.39Å; S571-W573 VanDerWaalsContact C-N 3.3Å; S571-W573 VanDerWaalsContact CB-CZ2 3.5Å; S571-W573 PolarHBondContact O-N 3.27Å; S571-W573 PolarHBondContact OG-NE1 3.03Å; S571-E574 PolarHBondContact O-N 2.82Å; S571-E574 VanDerWaalsContact O-N 3.08Å; S571-E574 WeakPolarHBondContact OG-CB 3.05Å; S571-E574 VanDerWaalsContact OG-CG 3.28Å; S571-E574 WeakPolarHBondContact OG-CG 3.46Å; S571-E574 PolarHBondContact OG-OE1 3.5Å; S571-A575 PolarHBondContact O-N 2.95Å
572P87.4Confident68.2Low78 Ų7878.4 Ų78.451%0.50646%0.455SS..Hα-helixtrans-58.6-36.9-172.8-27.435.1000114.4A575 D576P572-A575 PolarHBondContact O-N 3.45Å; P572-D576 PolarHBondContact O-N 3.33Å
573W87.9Confident70.2Confident49 Ų4983 Ų8319%0.18646%0.461CS..Hα-helixtrans-72.7-29.3178.65480.5000113.2V4 R41 F52 L54 Y174 L176 S571 Y577V4-W573 HydrophobicContact CG1-CB 4.41Å; V4-W573 HydrophobicContact CG2-CB 4.06Å; R41-W573 HydrophobicContact CG-CZ2 4.25Å; F52-W573 AromaticContact CD1-CD1 3.81Å; F52-W573 HydrophobicContact CD1-CG 4.48Å; F52-W573 AromaticContact CG-CD1 3.74Å; L54-W573 HydrophobicContact CD1-CD2 4.25Å; L54-W573 HydrophobicContact CD1-CE3 3.85Å; L54-W573 HydrophobicContact CD1-CH2 4.18Å; L54-W573 HydrophobicContact CD1-CZ3 3.8Å; L54-W573 HydrophobicContact CD2-CB 4.05Å; L54-W573 HydrophobicContact CD2-CD2 3.88Å; L54-W573 HydrophobicContact CD2-CE3 3.85Å; L54-W573 HydrophobicContact CD2-CG 3.97Å; Y174-W573 PolarHBondContact OH-O 3.07Å; Y174-W573 VanDerWaalsContact OH-O 3.08Å; L176-W573 HydrophobicContact CD2-CB 3.99Å; S571-W573 VanDerWaalsContact C-N 3.3Å; S571-W573 VanDerWaalsContact CB-CZ2 3.5Å; S571-W573 PolarHBondContact O-N 3.27Å; S571-W573 PolarHBondContact OG-NE1 3.03Å; W573-Y577 WeakPolarHBondContact O-CB 3.47Å; W573-Y577 PolarHBondContact O-N 3.17Å; W573-Y577 VanDerWaalsContact O-N 3.12Å
574E87.6Confident72.5Confident58 Ų5881.5 Ų81.527%0.27145%0.446SS..Hα-helixtrans-72.2-43.4172.7-75.8164.8-132.400110.6V43 F52 V570 S571 D576 Y577 E578V43-E574 HydrophobicContact CG2-CG 4.28Å; V43-E574 VanDerWaalsContact CG2-OE1 3.29Å; V43-E574 WeakPolarHBondContact CG2-OE1 3.35Å; F52-E574 HydrophobicContact CE2-CG 3.97Å; F52-E574 HydrophobicContact CZ-CG 3.95Å; V570-E574 HydrophobicContact CG1-CB 3.86Å; S571-E574 PolarHBondContact O-N 2.82Å; S571-E574 VanDerWaalsContact O-N 3.08Å; S571-E574 WeakPolarHBondContact OG-CB 3.05Å; S571-E574 VanDerWaalsContact OG-CG 3.28Å; S571-E574 WeakPolarHBondContact OG-CG 3.46Å; S571-E574 PolarHBondContact OG-OE1 3.5Å; E574-D576 PolarHBondContact O-N 3.44Å; E574-Y577 WeakPolarHBondContact O-CB 3.46Å; E574-Y577 PolarHBondContact O-N 2.98Å; E574-E578 PolarHBondContact O-N 3.24Å
575A86.2Confident75.1Confident40 Ų4076.7 Ų76.733%0.33142%0.416SS..Hα-helixtrans-60.8-43.1177.700000112.1V570 S571 P572 E578V570-A575 HydrophobicContact CG1-CB 4.23Å; S571-A575 PolarHBondContact O-N 2.95Å; P572-A575 PolarHBondContact O-N 3.45Å; A575-E578 PolarHBondContact O-N 3.42Å
576D89.4Confident77.6Confident7 Ų770.7 Ų70.74%0.03739%0.387CS..Hα-helixtrans-71.6-30.8177.1-77.2-3.3000112.2Y174 L176 H177 R196 P572 E574 E578 L579 R633Y174-D576 HydrophobicContact CD2-CB 4.5Å; Y174-D576 HydrophobicContact CE2-CB 3.85Å; L176-D576 HydrophobicContact CD2-CB 4.29Å; H177-D576 WeakPolarHBondContact CB-OD2 3.38Å; H177-D576 IonicContact CD2-OD1 3.99Å; H177-D576 PolarHBondContact CD2-OD1 3.49Å; H177-D576 IonicContact CD2-OD2 2.66Å; H177-D576 IonicContact CG-OD1 2.99Å; H177-D576 IonicContact CG-OD2 3.41Å; H177-D576 PolarHBondContact N-OD2 3.15Å; R196-D576 IonicContact NH1-OD1 3.61Å; P572-D576 PolarHBondContact O-N 3.33Å; E574-D576 PolarHBondContact O-N 3.44Å; D576-E578 PolarHBondContact O-N 2.8Å; D576-L579 WeakPolarHBondContact O-CB 3.43Å; D576-L579 PolarHBondContact O-N 3.02Å; D576-L579 VanDerWaalsContact O-N 3.08Å; D576-R633 WeakPolarHBondContact O-CG 3.24Å; D576-R633 PolarHBondContact O-NE 3.34Å
577Y87.9Confident80.2Confident11 Ų1167 Ų674%0.04337%0.372CS..Hα-helixtrans-63.4-29.6173.7-170.2-120.2000112.7V6 E8 I50 F52 T171 A172 Y174 M556 W573 E574 L579 R633V6-Y577 HydrophobicContact CB-CD2 4.34Å; V6-Y577 HydrophobicContact CB-CE2 4.03Å; V6-Y577 HydrophobicContact CG1-CD2 4.12Å; V6-Y577 HydrophobicContact CG1-CE1 4.4Å; V6-Y577 HydrophobicContact CG1-CE2 3.68Å; V6-Y577 HydrophobicContact CG2-CD2 4.04Å; V6-Y577 HydrophobicContact CG2-CE2 4.24Å; E8-Y577 PolarHBondContact OE1-OH 3.22Å; I50-Y577 HydrophobicContact CD1-CE1 4.36Å; F52-Y577 HydrophobicContact CE1-CD1 4.39Å; F52-Y577 HydrophobicContact CE1-CG 4.08Å; F52-Y577 HydrophobicContact CZ-CD1 4.24Å; F52-Y577 HydrophobicContact CZ-CG 4.37Å; T171-Y577 VanDerWaalsContact CG2-OH 3.32Å; T171-Y577 WeakPolarHBondContact CG2-OH 3.33Å; A172-Y577 HydrophobicContact CB-CD2 4.45Å; A172-Y577 HydrophobicContact CB-CE2 4.02Å; Y174-Y577 AromaticContact CE1-CD2 3.98Å; Y174-Y577 HydrophobicContact CE1-CD2 3.98Å; Y174-Y577 WeakPolarHBondContact OH-CB 3.07Å; M556-Y577 HydrophobicContact CE-CD1 3.82Å; M556-Y577 HydrophobicContact CE-CE1 4.11Å; M556-Y577 HydrophobicContact SD-CD1 3.78Å; M556-Y577 HydrophobicContact SD-CE1 4.11Å; W573-Y577 WeakPolarHBondContact O-CB 3.47Å; W573-Y577 PolarHBondContact O-N 3.17Å; W573-Y577 VanDerWaalsContact O-N 3.12Å; E574-Y577 WeakPolarHBondContact O-CB 3.46Å; E574-Y577 PolarHBondContact O-N 2.98Å; Y577-L579 PolarHBondContact O-N 3.34Å; Y577-R633 PolarHBondContact O-NH2 3.02Å
578E85.2Confident82.7Confident45 Ų4558.5 Ų58.521%0.2133%0.33CS..THydrogen-bonded Turntrans-69.2-15.6174.5-66.4-173.6176.300114.2M556 E574 A575 D576M556-E578 HydrophobicContact CE-CB 4.08Å; M556-E578 HydrophobicContact CE-CG 3.68Å; M556-E578 HydrophobicContact SD-CG 3.8Å; E574-E578 PolarHBondContact O-N 3.24Å; A575-E578 PolarHBondContact O-N 3.42Å; D576-E578 PolarHBondContact O-N 2.8Å
579L87.5Confident85Confident16 Ų1650.7 Ų50.78%0.08429%0.291CS..SBendtrans-78.5159.7180-58.3176000112.1D576 Y577 K630 E631 R633D576-L579 WeakPolarHBondContact O-CB 3.43Å; D576-L579 PolarHBondContact O-N 3.02Å; D576-L579 VanDerWaalsContact O-N 3.08Å; Y577-L579 PolarHBondContact O-N 3.34Å; L579-K630 WeakPolarHBondContact CD2-O 3.25Å; L579-E631 WeakPolarHBondContact CB-O 3.26Å; L579-R633 HydrophobicContact CB-CG 3.69Å; L579-R633 PolarHBondContact O-NE 3.38Å; L579-R633 PolarHBondContact O-NH2 2.96Å
580L86.3Confident86.6Confident17 Ų1743.6 Ų43.69%0.08925%0.253CS..BIsolated β-bridgetrans-75.4150179.5-70.1164.5000111.2Q545 K548 Q552 E631 F632 R633Q545-L580 HydrophobicContact CB-CD1 3.71Å; Q545-L580 HydrophobicContact CG-CD1 4.08Å; K548-L580 HydrophobicContact CB-CD2 3.83Å; K548-L580 HydrophobicContact CD-CD2 4.35Å; Q552-L580 VanDerWaalsContact OE1-CD2 3.28Å; L580-E631 PolarHBondContact N-O 3.17Å; L580-F632 HydrophobicContact CB-CD1 3.88Å; L580-F632 HydrophobicContact CB-CE1 4.2Å; L580-F632 CarbonylContact O-C 3.5Å; L580-F632 WeakPolarHBondContact O-CA 3.41Å; L580-R633 WeakPolarHBondContact O-CG 3.35Å; L580-R633 PolarHBondContact O-N 3.33Å
581V86.7Confident87.3Confident87 Ų8740.5 Ų40.553%0.52723%0.233SC..PPolyproline II helixtrans-76.1136.8175.1-178.60000109.6E583V581-E583 PolarHBondContact O-N 3Å
582C85.4Confident87.6Confident27 Ų2739.5 Ų39.518%0.18223%0.226CC..  trans-79.4113.1172-177.20000109.3G584 F632 P635C582-G584 PolarHBondContact O-N 3.38Å; C582-F632 HydrophobicContact CB-CD2 4.24Å; C582-F632 HydrophobicContact CB-CG 4.36Å; C582-P635 HydrophobicContact CB-CB 4.31Å
583E79.8Confident87.9Confident181 Ų18135.8 Ų35.885%0.84620%0.202SC*.  trans-80.74-178.3-65.2-177.4179.200113.6V581V581-E583 PolarHBondContact O-N 3Å
584G84.8Confident88.1Confident39 Ų3933.6 Ų33.640%0.40219%0.194SC..  trans100.3-178.9179.500000113.7C582C582-G584 PolarHBondContact O-N 3.38Å
585L89.1Confident88.3Confident15 Ų1531.4 Ų31.48%0.07918%0.184CC..SBendtrans-93.6-4.2-176-71.4163.4000114.1K225 I226 Y229 G587 E588 Y589 Y628K225-L585 HydrophobicContact CG-CD1 4Å; I226-L585 HydrophobicContact CG1-CD1 3.9Å; I226-L585 HydrophobicContact CG1-CG 4.45Å; Y229-L585 HydrophobicContact CD1-CD2 3.79Å; Y229-L585 HydrophobicContact CD2-CD2 4.34Å; Y229-L585 HydrophobicContact CE1-CD2 4.39Å; Y229-L585 HydrophobicContact CG-CD2 3.77Å; L585-G587 PolarHBondContact O-N 2.94Å; L585-E588 PolarHBondContact O-N 3.36Å; L585-Y589 HydrophobicContact CB-CD2 4.05Å; L585-Y589 HydrophobicContact CB-CE2 4.15Å; L585-Y589 WeakPolarHBondContact O-CD2 3.12Å; L585-Y589 PolarHBondContact O-N 2.85Å; L585-Y589 VanDerWaalsContact O-N 3.08Å; L585-Y628 WeakPolarHBondContact CD2-OH 3.24Å
586F89.6Confident88.7Confident48 Ų4829.5 Ų29.521%0.21117%0.168CC..Hα-helixtrans-56.2-49.1-174170.1-104.7000112.7F469 I470 V473 E588 L590 W646F469-F586 HydrophobicContact CD1-CD2 4.46Å; F469-F586 HydrophobicContact CE1-CD1 4.11Å; F469-F586 HydrophobicContact CE1-CD2 4.06Å; F469-F586 HydrophobicContact CE1-CE1 4.17Å; F469-F586 HydrophobicContact CE1-CE2 4.13Å; F469-F586 HydrophobicContact CE1-CG 4.06Å; F469-F586 HydrophobicContact CE1-CZ 4.2Å; F469-F586 HydrophobicContact CZ-CE1 4.49Å; I470-F586 HydrophobicContact CB-CE2 4.3Å; I470-F586 HydrophobicContact CG1-CD2 3.69Å; I470-F586 HydrophobicContact CG1-CE2 3.86Å; I470-F586 HydrophobicContact CG2-CE2 4.4Å; V473-F586 HydrophobicContact CB-CE2 4.37Å; V473-F586 HydrophobicContact CB-CZ 3.67Å; V473-F586 HydrophobicContact CG1-CE1 4.01Å; V473-F586 HydrophobicContact CG1-CZ 3.47Å; V473-F586 VanDerWaalsContact CG1-CZ 3.47Å; V473-F586 HydrophobicContact CG2-CZ 4.24Å; F586-E588 VanDerWaalsContact C-N 3.33Å; F586-E588 PolarHBondContact O-N 3.45Å; F586-L590 HydrophobicContact CE1-CD2 4.05Å; F586-L590 HydrophobicContact CZ-CB 4.45Å; F586-L590 HydrophobicContact CZ-CD2 3.92Å; F586-L590 VanDerWaalsContact O-CB 3.31Å; F586-L590 WeakPolarHBondContact O-CB 3.24Å; F586-L590 PolarHBondContact O-N 2.88Å; F586-W646 HydrophobicContact CD2-CH2 4.28Å; F586-W646 AromaticContact CD2-CZ2 3.75Å; F586-W646 HydrophobicContact CD2-CZ2 3.75Å; F586-W646 AromaticContact CE2-CH2 3.86Å; F586-W646 HydrophobicContact CE2-CH2 3.86Å; F586-W646 AromaticContact CE2-CZ2 3.79Å; F586-W646 HydrophobicContact CE2-CZ2 3.79Å
587G86.7Confident89Confident39 Ų3929.2 Ų29.240%0.40217%0.166SC..Hα-helixtrans-63-40.1-179.500000112.5L585 L590 E591L585-G587 PolarHBondContact O-N 2.94Å; G587-L590 PolarHBondContact O-N 3.02Å; G587-E591 WeakPolarHBondContact O-CB 2.98Å; G587-E591 PolarHBondContact O-N 3.33Å
588E89Confident89.1Confident20 Ų2029 Ų299%0.09317%0.165CC..Hα-helixtrans-65.1-48.7-178.8-45.1-58.6172.200111.2Y229 L585 F586 E591 M592 K627Y229-E588 HydrophobicContact CE1-CB 4.48Å; Y229-E588 HydrophobicContact CE2-CB 3.72Å; L585-E588 PolarHBondContact O-N 3.36Å; F586-E588 VanDerWaalsContact C-N 3.33Å; F586-E588 PolarHBondContact O-N 3.45Å; E588-E591 PolarHBondContact O-N 3.12Å; E588-M592 WeakPolarHBondContact O-CG 3.28Å; E588-M592 PolarHBondContact O-N 2.87Å; E588-K627 IonicContact OE1-NZ 3.96Å; E588-K627 PolarHBondContact OE1-NZ 2.89Å
589Y92.9Very high89.5Confident13 Ų1326.9 Ų26.95%0.05116%0.155CC..Hα-helixtrans-63-44.4174.8-83.4-67.5000112.2Y229 W232 L585 E591 M592 V593 I643 W646Y229-Y589 WeakPolarHBondContact CA-OH 3.46Å; Y229-Y589 WeakPolarHBondContact CB-OH 3.23Å; Y229-Y589 HydrophobicContact CD2-CD1 4.08Å; Y229-Y589 HydrophobicContact CD2-CD2 4.14Å; Y229-Y589 AromaticContact CD2-CE1 3.81Å; Y229-Y589 HydrophobicContact CD2-CE1 3.81Å; Y229-Y589 AromaticContact CD2-CE2 3.88Å; Y229-Y589 HydrophobicContact CD2-CE2 3.88Å; Y229-Y589 HydrophobicContact CD2-CG 4.25Å; Y229-Y589 AromaticContact CD2-CZ 3.72Å; Y229-Y589 HydrophobicContact CG-CE2 4.39Å; Y229-Y589 PolarHBondContact N-OH 3.36Å; W232-Y589 HydrophobicContact CD2-CE1 4.11Å; W232-Y589 HydrophobicContact CE3-CD1 4.01Å; W232-Y589 AromaticContact CE3-CE1 3.83Å; W232-Y589 HydrophobicContact CE3-CE1 3.83Å; W232-Y589 HydrophobicContact CG-CE1 4.44Å; W232-Y589 HydrophobicContact CZ3-CD1 4.1Å; W232-Y589 HydrophobicContact CZ3-CE1 4.38Å; L585-Y589 HydrophobicContact CB-CD2 4.05Å; L585-Y589 HydrophobicContact CB-CE2 4.15Å; L585-Y589 WeakPolarHBondContact O-CD2 3.12Å; L585-Y589 PolarHBondContact O-N 2.85Å; L585-Y589 VanDerWaalsContact O-N 3.08Å; Y589-E591 VanDerWaalsContact C-N 3.27Å; Y589-E591 PolarHBondContact O-N 3.22Å; Y589-M592 PolarHBondContact O-N 2.78Å; Y589-V593 WeakPolarHBondContact O-CB 3.19Å; Y589-V593 WeakPolarHBondContact O-CG2 3.48Å; Y589-V593 PolarHBondContact O-N 2.9Å; Y589-I643 HydrophobicContact CE1-CB 4.36Å; Y589-I643 HydrophobicContact CE1-CG2 4.2Å; Y589-I643 WeakPolarHBondContact OH-CG2 3.48Å; Y589-W646 VanDerWaalsContact CB-CE2 3.43Å; Y589-W646 HydrophobicContact CD1-CG 4.44Å; Y589-W646 AromaticContact CD2-NE1 3.78Å; Y589-W646 AromaticContact CG-CD1 3.79Å; Y589-W646 HydrophobicContact CG-CG 4.37Å; Y589-W646 AromaticContact CG-NE1 3.66Å
590L91.3Very high89.9Confident18 Ų1826.2 Ų26.29%0.09415%0.152CC..Hα-helixtrans-57.4-42.9179.8178.664.7000111.3V473 F474 Q477 F586 G587 L594 W646V473-L590 HydrophobicContact CG1-CD2 4.49Å; F474-L590 HydrophobicContact CD2-CD1 4.46Å; Q477-L590 HydrophobicContact CB-CD1 4.28Å; Q477-L590 HydrophobicContact CG-CD1 4.47Å; Q477-L590 HydrophobicContact CG-CD2 4.1Å; F586-L590 HydrophobicContact CE1-CD2 4.05Å; F586-L590 HydrophobicContact CZ-CB 4.45Å; F586-L590 HydrophobicContact CZ-CD2 3.92Å; F586-L590 VanDerWaalsContact O-CB 3.31Å; F586-L590 WeakPolarHBondContact O-CB 3.24Å; F586-L590 PolarHBondContact O-N 2.88Å; G587-L590 PolarHBondContact O-N 3.02Å; L590-L594 HydrophobicContact CD1-CD1 4.16Å; L590-L594 HydrophobicContact CD1-CG 4.28Å; L590-L594 HydrophobicContact CG-CD1 4.12Å; L590-L594 WeakPolarHBondContact O-CB 3.28Å; L590-L594 VanDerWaalsContact O-CG 3.23Å; L590-L594 WeakPolarHBondContact O-CG 3.09Å; L590-L594 PolarHBondContact O-N 3.4Å; L590-W646 HydrophobicContact CB-CH2 3.75Å; L590-W646 HydrophobicContact CB-CZ2 4.45Å; L590-W646 HydrophobicContact CD1-CH2 4Å; L590-W646 HydrophobicContact CD1-CZ3 4.26Å; L590-W646 HydrophobicContact CG-CH2 4.49Å
591E87.6Confident90.3Very high22 Ų2225.8 Ų25.810%0.10315%0.15CC..Hα-helixtrans-62-50.7178.1-172.6171.3138.300111.8Q534 N537 G587 E588 Y589 V593 L594 Q595Q534-E591 VanDerWaalsContact CD-OE1 3.3Å; Q534-E591 PolarHBondContact NE2-OE1 3.47Å; Q534-E591 PolarHBondContact OE1-OE1 3.21Å; N537-E591 PolarHBondContact ND2-OE2 2.96Å; G587-E591 WeakPolarHBondContact O-CB 2.98Å; G587-E591 PolarHBondContact O-N 3.33Å; E588-E591 PolarHBondContact O-N 3.12Å; Y589-E591 VanDerWaalsContact C-N 3.27Å; Y589-E591 PolarHBondContact O-N 3.22Å; E591-V593 PolarHBondContact O-N 3.09Å; E591-L594 PolarHBondContact O-N 2.82Å; E591-Q595 PolarHBondContact O-N 3.26Å
592M91.2Very high90.6Very high0 Ų021.8 Ų21.80%013%0.125CC..Hα-helixtrans-66.7-35.6-178.3-63.5-62.911700112.7W232 I233 E588 Y589 Q595 F596 E620W232-M592 HydrophobicContact CH2-CB 3.46Å; W232-M592 VanDerWaalsContact CH2-CB 3.46Å; W232-M592 HydrophobicContact CH2-CG 4.47Å; W232-M592 HydrophobicContact CZ3-CB 3.37Å; W232-M592 HydrophobicContact CZ3-CG 3.93Å; I233-M592 HydrophobicContact CD1-CG 4.34Å; I233-M592 HydrophobicContact CD1-SD 3.97Å; I233-M592 HydrophobicContact CG1-SD 4.44Å; E588-M592 WeakPolarHBondContact O-CG 3.28Å; E588-M592 PolarHBondContact O-N 2.87Å; Y589-M592 PolarHBondContact O-N 2.78Å; M592-Q595 WeakPolarHBondContact O-CB 3.47Å; M592-Q595 PolarHBondContact O-N 3.02Å; M592-F596 PolarHBondContact O-N 3.39Å; M592-E620 HydrophobicContact CE-CG 3.89Å
593V94.5Very high91Very high0 Ų020.5 Ų20.50%012%0.117CC..Hα-helixtrans-69.5-39.6176.2170.80000111.2W232 F474 Y589 E591 Q595 F596 G597 W646 I649 L650 I653W232-V593 HydrophobicContact CH2-CG2 4.35Å; F474-V593 HydrophobicContact CD2-CG1 4.45Å; F474-V593 HydrophobicContact CE2-CG1 4.07Å; Y589-V593 WeakPolarHBondContact O-CB 3.19Å; Y589-V593 WeakPolarHBondContact O-CG2 3.48Å; Y589-V593 PolarHBondContact O-N 2.9Å; E591-V593 PolarHBondContact O-N 3.09Å; V593-Q595 VanDerWaalsContact C-N 3.34Å; V593-F596 WeakPolarHBondContact O-CB 3.19Å; V593-F596 PolarHBondContact O-N 3.25Å; V593-G597 PolarHBondContact O-N 3.02Å; V593-W646 HydrophobicContact CB-CE3 4.24Å; V593-W646 HydrophobicContact CB-CZ3 4.27Å; V593-W646 HydrophobicContact CG1-CE3 4.27Å; V593-W646 HydrophobicContact CG1-CZ3 4.35Å; V593-W646 HydrophobicContact CG2-CD2 4.36Å; V593-W646 HydrophobicContact CG2-CE3 3.73Å; V593-W646 HydrophobicContact CG2-CZ3 4.2Å; V593-I649 HydrophobicContact CG1-CG2 3.64Å; V593-L650 HydrophobicContact CB-CD2 4.46Å; V593-L650 HydrophobicContact CG1-CD2 4.17Å; V593-L650 HydrophobicContact CG2-CD2 4.07Å; V593-L650 HydrophobicContact CG2-CG 4.34Å; V593-I653 HydrophobicContact CG1-CD1 3.74Å
594L91.3Very high91.5Very high2 Ų212 Ų121%0.018%0.078CC..Hα-helixtrans-65-39.2172.2-71.6172.7000111.4F481 Y482 L590 E591 F596 G597 F598F481-L594 HydrophobicContact CD2-CD1 3.72Å; F481-L594 HydrophobicContact CE2-CD1 3.97Å; F481-L594 HydrophobicContact CG-CD1 4.48Å; Y482-L594 HydrophobicContact CE2-CD2 3.76Å; Y482-L594 WeakPolarHBondContact OH-CA 3.1Å; Y482-L594 PolarHBondContact OH-O 2.92Å; L590-L594 HydrophobicContact CD1-CD1 4.16Å; L590-L594 HydrophobicContact CD1-CG 4.28Å; L590-L594 HydrophobicContact CG-CD1 4.12Å; L590-L594 WeakPolarHBondContact O-CB 3.28Å; L590-L594 VanDerWaalsContact O-CG 3.23Å; L590-L594 WeakPolarHBondContact O-CG 3.09Å; L590-L594 PolarHBondContact O-N 3.4Å; E591-L594 PolarHBondContact O-N 2.82Å; L594-F596 VanDerWaalsContact C-N 3.33Å; L594-F596 PolarHBondContact O-N 3.44Å; L594-G597 PolarHBondContact O-N 2.94Å; L594-F598 HydrophobicContact CB-CE2 4.39Å; L594-F598 WeakPolarHBondContact O-CD2 3.14Å; L594-F598 PolarHBondContact O-N 3.49Å
595Q92.4Very high91.8Very high13 Ų1310.1 Ų10.16%0.0616%0.058CC..Hα-helixtrans-59.6-44.8172.4-175.6-177-48.400111.5E591 M592 V593 G597 F598 I599 A613 N616 N617E591-Q595 PolarHBondContact O-N 3.26Å; M592-Q595 WeakPolarHBondContact O-CB 3.47Å; M592-Q595 PolarHBondContact O-N 3.02Å; V593-Q595 VanDerWaalsContact C-N 3.34Å; Q595-G597 VanDerWaalsContact C-N 3.29Å; Q595-G597 PolarHBondContact O-N 3.04Å; Q595-F598 PolarHBondContact O-N 3.43Å; Q595-F598 VanDerWaalsContact O-N 3.16Å; Q595-I599 PolarHBondContact O-N 2.8Å; Q595-I599 VanDerWaalsContact O-N 3.12Å; Q595-A613 HydrophobicContact CG-CB 4.21Å; Q595-A613 VanDerWaalsContact NE2-CA 3.33Å; Q595-A613 PolarHBondContact NE2-O 3.45Å; Q595-N616 PolarHBondContact OE1-ND2 2.84Å; Q595-N617 PolarHBondContact NE2-OD1 2.91Å; Q595-N617 PolarHBondContact OE1-OD1 3.45Å
596F94.8Very high91.8Very high0 Ų09.5 Ų9.50%06%0.055CC..Hα-helixtrans-57.1-40.8175.1-179.7-95.5000112.1Y236 W316 A317 F320 M592 V593 L594 I599 T600 L650 I653Y236-F596 AromaticContact CE2-CD2 3.88Å; Y236-F596 HydrophobicContact CE2-CD2 3.88Å; Y236-F596 WeakPolarHBondContact OH-CA 3.11Å; W316-F596 HydrophobicContact CH2-CD2 4.37Å; W316-F596 HydrophobicContact CH2-CE2 4Å; W316-F596 HydrophobicContact CZ3-CD2 4.35Å; W316-F596 AromaticContact CZ3-CE2 3.71Å; W316-F596 HydrophobicContact CZ3-CE2 3.71Å; A317-F596 HydrophobicContact CB-CZ 4Å; F320-F596 AromaticContact CD1-CE2 3.78Å; F320-F596 HydrophobicContact CD1-CE2 3.78Å; F320-F596 HydrophobicContact CD1-CZ 4.26Å; F320-F596 HydrophobicContact CE1-CD2 4.31Å; F320-F596 AromaticContact CE1-CE2 3.85Å; F320-F596 HydrophobicContact CE1-CE2 3.85Å; F320-F596 HydrophobicContact CE1-CZ 4.46Å; M592-F596 PolarHBondContact O-N 3.39Å; V593-F596 WeakPolarHBondContact O-CB 3.19Å; V593-F596 PolarHBondContact O-N 3.25Å; L594-F596 VanDerWaalsContact C-N 3.33Å; L594-F596 PolarHBondContact O-N 3.44Å; F596-I599 HydrophobicContact CD2-CD1 4.3Å; F596-I599 WeakPolarHBondContact O-CG1 3.44Å; F596-T600 HydrophobicContact CD1-CG2 4.4Å; F596-T600 HydrophobicContact CD2-CG2 4.35Å; F596-T600 HydrophobicContact CE1-CG2 4.01Å; F596-T600 HydrophobicContact CE2-CG2 3.97Å; F596-T600 HydrophobicContact CZ-CG2 3.79Å; F596-T600 WeakPolarHBondContact O-CB 3.34Å; F596-T600 WeakPolarHBondContact O-CG2 3.04Å; F596-T600 PolarHBondContact O-N 3.42Å; F596-T600 VanDerWaalsContact O-N 3.16Å; F596-T600 PolarHBondContact O-OG1 3.08Å; F596-L650 HydrophobicContact CB-CD2 3.95Å; F596-L650 HydrophobicContact CD1-CD2 3.38Å; F596-L650 HydrophobicContact CD2-CD2 4.37Å; F596-L650 HydrophobicContact CE1-CD2 3.9Å; F596-L650 HydrophobicContact CG-CD2 3.64Å; F596-I653 HydrophobicContact CD1-CB 4.35Å; F596-I653 HydrophobicContact CD1-CG2 3.75Å; F596-I653 HydrophobicContact CE1-CB 4.35Å; F596-I653 HydrophobicContact CE1-CG2 3.89Å
597G94.5Very high91.9Very high0 Ų07.2 Ų7.20%05%0.045CC..Hα-helixtrans-68.1-37.3175.100000113.8Y482 V593 L594 Q595 I599 T600 I601Y482-G597 WeakPolarHBondContact OH-CA 3.47Å; V593-G597 PolarHBondContact O-N 3.02Å; L594-G597 PolarHBondContact O-N 2.94Å; Q595-G597 VanDerWaalsContact C-N 3.29Å; Q595-G597 PolarHBondContact O-N 3.04Å; G597-I599 VanDerWaalsContact C-N 3.35Å; G597-I599 PolarHBondContact O-N 3.4Å; G597-T600 PolarHBondContact O-N 2.77Å; G597-T600 PolarHBondContact O-OG1 3.43Å; G597-I601 VanDerWaalsContact O-CB 3.23Å; G597-I601 WeakPolarHBondContact O-CB 3.16Å; G597-I601 WeakPolarHBondContact O-CG1 3.21Å; G597-I601 PolarHBondContact O-N 3.36Å
598F91.7Very high92.1Very high7 Ų76.6 Ų6.63%0.0313%0.032CC..Hα-helixtrans-62.7-40.9175.7-70.9-59.4000112.3F481 Y482 L526 I529 M530 L594 Q595F481-F598 HydrophobicContact CB-CZ 4.19Å; Y482-F598 AromaticContact CD1-CD1 3.86Å; Y482-F598 HydrophobicContact CD1-CD1 3.86Å; Y482-F598 AromaticContact CD1-CE1 3.53Å; Y482-F598 HydrophobicContact CD1-CE1 3.53Å; Y482-F598 HydrophobicContact CD1-CZ 4.22Å; Y482-F598 AromaticContact CE1-CD1 3.36Å; Y482-F598 HydrophobicContact CE1-CD1 3.36Å; Y482-F598 HydrophobicContact CE1-CD2 4.34Å; Y482-F598 AromaticContact CE1-CE1 3.34Å; Y482-F598 HydrophobicContact CE1-CE1 3.34Å; Y482-F598 HydrophobicContact CE1-CE2 4.33Å; Y482-F598 AromaticContact CE1-CG 3.87Å; Y482-F598 HydrophobicContact CE1-CG 3.87Å; Y482-F598 AromaticContact CE1-CZ 3.85Å; Y482-F598 HydrophobicContact CE1-CZ 3.85Å; Y482-F598 PolarHBondContact OH-N 3.33Å; L526-F598 HydrophobicContact CD2-CD1 3.73Å; L526-F598 HydrophobicContact CD2-CE1 4.43Å; I529-F598 HydrophobicContact CG2-CE1 4.17Å; I529-F598 HydrophobicContact CG2-CE2 3.91Å; I529-F598 HydrophobicContact CG2-CZ 3.63Å; M530-F598 HydrophobicContact CG-CB 4.06Å; M530-F598 HydrophobicContact CG-CD2 4.36Å; M530-F598 HydrophobicContact CG-CG 4.28Å; M530-F598 HydrophobicContact SD-CB 3.9Å; L594-F598 HydrophobicContact CB-CE2 4.39Å; L594-F598 WeakPolarHBondContact O-CD2 3.14Å; L594-F598 PolarHBondContact O-N 3.49Å; Q595-F598 PolarHBondContact O-N 3.43Å; Q595-F598 VanDerWaalsContact O-N 3.16Å
599I93.1Very high92.2Very high0 Ų05.8 Ų5.80%03%0.029CC..Hα-helixtrans-76.9-21.2-17964.5169.5000114Y236 L240 W316 M530 Q595 F596 G597 V603 A609 A613Y236-I599 HydrophobicContact CE2-CD1 4.12Å; Y236-I599 VanDerWaalsContact OH-CD1 3.28Å; Y236-I599 WeakPolarHBondContact OH-CD1 2.89Å; L240-I599 HydrophobicContact CD2-CD1 3.59Å; W316-I599 HydrophobicContact CH2-CD1 4Å; W316-I599 HydrophobicContact CZ3-CD1 4.16Å; M530-I599 HydrophobicContact CE-CG2 3.68Å; Q595-I599 PolarHBondContact O-N 2.8Å; Q595-I599 VanDerWaalsContact O-N 3.12Å; F596-I599 HydrophobicContact CD2-CD1 4.3Å; F596-I599 WeakPolarHBondContact O-CG1 3.44Å; G597-I599 VanDerWaalsContact C-N 3.35Å; G597-I599 PolarHBondContact O-N 3.4Å; I599-V603 VanDerWaalsContact O-CB 3.23Å; I599-V603 WeakPolarHBondContact O-CB 3.38Å; I599-V603 WeakPolarHBondContact O-CG2 3.18Å; I599-A609 HydrophobicContact CG2-CB 4.3Å; I599-A613 HydrophobicContact CG2-CB 3.74Å
600T94.9Very high92.2Very high2 Ų25.1 Ų5.11%0.0123%0.027CC..Hα-helixtrans-100.8-47.7-176.651.50000111.7W316 A317 F596 G597 F602 A657 N661W316-T600 HydrophobicContact CZ3-CG2 4.12Å; A317-T600 HydrophobicContact CB-CG2 4.06Å; F596-T600 HydrophobicContact CD1-CG2 4.4Å; F596-T600 HydrophobicContact CD2-CG2 4.35Å; F596-T600 HydrophobicContact CE1-CG2 4.01Å; F596-T600 HydrophobicContact CE2-CG2 3.97Å; F596-T600 HydrophobicContact CZ-CG2 3.79Å; F596-T600 WeakPolarHBondContact O-CB 3.34Å; F596-T600 WeakPolarHBondContact O-CG2 3.04Å; F596-T600 PolarHBondContact O-N 3.42Å; F596-T600 VanDerWaalsContact O-N 3.16Å; F596-T600 PolarHBondContact O-OG1 3.08Å; G597-T600 PolarHBondContact O-N 2.77Å; G597-T600 PolarHBondContact O-OG1 3.43Å; T600-F602 VanDerWaalsContact C-N 3.34Å; T600-F602 PolarHBondContact O-N 3.29Å; T600-A657 WeakPolarHBondContact O-CB 3.47Å; T600-N661 PolarHBondContact O-ND2 3.16Å
601I95.2Very high92.4Very high9 Ų96.5 Ų6.55%0.0463%0.034CC..Hα-helixtrans-68.8-32.1-174-62.1174.1000112.5F478 G597 I653 A657 S660 N661F478-I601 HydrophobicContact CE2-CD1 3.93Å; F478-I601 HydrophobicContact CZ-CD1 4.1Å; G597-I601 VanDerWaalsContact O-CB 3.23Å; G597-I601 WeakPolarHBondContact O-CB 3.16Å; G597-I601 WeakPolarHBondContact O-CG1 3.21Å; G597-I601 PolarHBondContact O-N 3.36Å; I601-I653 HydrophobicContact CD1-CG2 4.13Å; I601-I653 HydrophobicContact CG1-CG2 4.19Å; I601-A657 HydrophobicContact CG1-CB 4.18Å; I601-S660 VanDerWaalsContact CG2-OG 3.28Å; I601-S660 WeakPolarHBondContact CG2-OG 3.1Å; I601-S660 WeakPolarHBondContact O-CB 3.31Å; I601-S660 PolarHBondContact O-OG 2.65Å; I601-N661 PolarHBondContact O-OD1 3.21Å
602F93.8Very high92.5Very high2 Ų28.7 Ų8.71%0.0094%0.043CC..THydrogen-bonded Turntrans-122.222.9-173.1-52.8-79.5000113.5Y482 P485 V486 A489 L522 L526 T600 A604 A605 L664Y482-F602 AromaticContact CD1-CE2 3.63Å; Y482-F602 HydrophobicContact CD1-CE2 3.63Å; Y482-F602 HydrophobicContact CD1-CZ 4.35Å; Y482-F602 HydrophobicContact CE1-CE2 4.13Å; P485-F602 HydrophobicContact CB-CE1 4.04Å; P485-F602 HydrophobicContact CB-CE2 4.13Å; P485-F602 HydrophobicContact CB-CZ 3.78Å; V486-F602 HydrophobicContact CG2-CE1 4.38Å; V486-F602 HydrophobicContact CG2-CZ 3.96Å; A489-F602 HydrophobicContact CB-CE1 4.49Å; L522-F602 HydrophobicContact CD1-CD1 4.27Å; L522-F602 HydrophobicContact CD2-CD1 4.17Å; L526-F602 HydrophobicContact CD1-CB 3.46Å; L526-F602 VanDerWaalsContact CD1-CB 3.46Å; L526-F602 HydrophobicContact CD1-CG 4.16Å; L526-F602 HydrophobicContact CD2-CB 4.2Å; L526-F602 HydrophobicContact CD2-CD2 3.94Å; L526-F602 HydrophobicContact CD2-CG 4.18Å; L526-F602 HydrophobicContact CG-CB 4.47Å; T600-F602 VanDerWaalsContact C-N 3.34Å; T600-F602 PolarHBondContact O-N 3.29Å; F602-A604 PolarHBondContact O-N 3.23Å; F602-A605 WeakPolarHBondContact O-CB 3.48Å; F602-A605 PolarHBondContact O-N 3.11Å; F602-L664 HydrophobicContact CD1-CD1 4.14Å
603V92.7Very high92.5Very high0 Ų08.8 Ų8.80%04%0.044CC..THydrogen-bonded Turntrans-63.4-30.3-174.478.40000113.2L309 M313 I599 A605 C606 N661L309-V603 HydrophobicContact CD2-CG2 4.17Å; L309-V603 HydrophobicContact CG-CG2 4.3Å; M313-V603 HydrophobicContact CB-CG1 3.9Å; M313-V603 HydrophobicContact CB-CG2 4.32Å; M313-V603 HydrophobicContact CE-CG2 4.38Å; M313-V603 HydrophobicContact CG-CB 4.44Å; M313-V603 HydrophobicContact CG-CG1 4.17Å; M313-V603 HydrophobicContact CG-CG2 3.73Å; I599-V603 VanDerWaalsContact O-CB 3.23Å; I599-V603 WeakPolarHBondContact O-CB 3.38Å; I599-V603 WeakPolarHBondContact O-CG2 3.18Å; V603-A605 PolarHBondContact O-N 2.87Å; V603-A605 VanDerWaalsContact O-N 3.15Å; V603-C606 CarbonylContact O-C 3.59Å; V603-C606 PolarHBondContact O-N 3.44Å; V603-N661 PolarHBondContact N-OD1 2.96Å
604A90.7Very high92.5Very high3 Ų39.7 Ų9.73%0.0255%0.048CC..THydrogen-bonded Turntrans-59-24.7174.500000113S310 F602 N661 L664 I665S310-A604 WeakPolarHBondContact OG-CB 3.48Å; F602-A604 PolarHBondContact O-N 3.23Å; A604-N661 PolarHBondContact N-OD1 3Å; A604-L664 HydrophobicContact CB-CB 4.14Å; A604-L664 HydrophobicContact CB-CD1 4.26Å; A604-I665 HydrophobicContact CB-CG1 4.13Å
605A90.1Very high92.4Very high0 Ų015 Ų150%08%0.075CC..THydrogen-bonded Turntrans-85.5-33.2179.900000113.2L519 L522 A523 L526 F602 V603L519-A605 HydrophobicContact CG-CB 4.25Å; L522-A605 HydrophobicContact CB-CB 4.47Å; L522-A605 HydrophobicContact CD2-CB 3.61Å; L522-A605 HydrophobicContact CG-CB 3.9Å; A523-A605 WeakPolarHBondContact CB-O 3.25Å; L526-A605 HydrophobicContact CD1-CB 4.24Å; F602-A605 WeakPolarHBondContact O-CB 3.48Å; F602-A605 PolarHBondContact O-N 3.11Å; V603-A605 PolarHBondContact O-N 2.87Å; V603-A605 VanDerWaalsContact O-N 3.15Å
606C90.1Very high92.2Very high1 Ų115.2 Ų15.21%0.0078%0.076CC..  trans-141.997.3-174.8-172.30000112.3A523 V603 L608 A609A523-C606 HydrophobicContact CB-CB 4.25Å; V603-C606 CarbonylContact O-C 3.59Å; V603-C606 PolarHBondContact O-N 3.44Å; C606-L608 PolarHBondContact O-N 2.9Å; C606-A609 HydrophobicContact CB-CB 4.35Å; C606-A609 WeakPolarHBondContact O-CB 3.42Å; C606-A609 PolarHBondContact O-N 3.28Å; C606-A609 VanDerWaalsContact O-N 3.14Å
607P91Very high92Very high1 Ų115.2 Ų15.21%0.0068%0.076CC..THydrogen-bonded Turntrans-62.1-23.6178.8-27.938.3000115.2G247 T306 L309 A609 P610G247-P607 WeakPolarHBondContact CA-O 3.26Å; T306-P607 HydrophobicContact CG2-CG 3.72Å; L309-P607 HydrophobicContact CD2-CB 3.61Å; L309-P607 HydrophobicContact CD2-CG 4.1Å; P607-A609 VanDerWaalsContact C-N 3.34Å; P607-P610 WeakPolarHBondContact O-CD 3.24Å
608L91Very high91.7Very high25 Ų2519.1 Ų19.113%0.1319%0.091CC..THydrogen-bonded Turntrans-84.8-5.7179.8-66.2177.7000113.3F251 C606 L611 F612F251-L608 HydrophobicContact CB-CD2 3.88Å; F251-L608 HydrophobicContact CB-CG 4.18Å; F251-L608 HydrophobicContact CD1-CD1 3.8Å; F251-L608 HydrophobicContact CD1-CD2 3.96Å; F251-L608 HydrophobicContact CD1-CG 4.09Å; F251-L608 HydrophobicContact CD2-CD1 3.99Å; F251-L608 HydrophobicContact CD2-CG 3.96Å; F251-L608 HydrophobicContact CE1-CD1 3.72Å; F251-L608 HydrophobicContact CE1-CG 4.48Å; F251-L608 HydrophobicContact CE2-CD1 3.91Å; F251-L608 HydrophobicContact CE2-CG 4.37Å; F251-L608 HydrophobicContact CG-CD1 3.93Å; F251-L608 HydrophobicContact CG-CD2 3.86Å; F251-L608 HydrophobicContact CG-CG 3.8Å; F251-L608 HydrophobicContact CZ-CD1 3.78Å; C606-L608 PolarHBondContact O-N 2.9Å; L608-L611 HydrophobicContact CD2-CD2 4.3Å; L608-L611 WeakPolarHBondContact O-CB 3.29Å; L608-L611 PolarHBondContact O-N 3.2Å; L608-F612 HydrophobicContact CB-CD2 4.19Å; L608-F612 HydrophobicContact CB-CE2 3.69Å; L608-F612 HydrophobicContact CB-CZ 4.49Å; L608-F612 HydrophobicContact CD1-CE2 4.44Å; L608-F612 VanDerWaalsContact O-CD2 3.24Å; L608-F612 WeakPolarHBondContact O-CD2 3.32Å; L608-F612 PolarHBondContact O-N 3.39Å
609A91.4Very high91.5Very high3 Ų321.6 Ų21.63%0.02511%0.106CC..Hα-helixtrans-54.3-43.1-179.300000113.3M530 I599 C606 P607 L611 F612 A613M530-A609 HydrophobicContact CE-CB 4.13Å; M530-A609 WeakPolarHBondContact CE-O 3.44Å; M530-A609 HydrophobicContact SD-CB 4.08Å; I599-A609 HydrophobicContact CG2-CB 4.3Å; C606-A609 HydrophobicContact CB-CB 4.35Å; C606-A609 WeakPolarHBondContact O-CB 3.42Å; C606-A609 PolarHBondContact O-N 3.28Å; C606-A609 VanDerWaalsContact O-N 3.14Å; P607-A609 VanDerWaalsContact C-N 3.34Å; A609-L611 VanDerWaalsContact C-N 3.3Å; A609-L611 PolarHBondContact O-N 2.8Å; A609-F612 PolarHBondContact O-N 3.01Å; A609-A613 WeakPolarHBondContact O-CB 3.29Å; A609-A613 PolarHBondContact O-N 2.8Å
610P94Very high91.3Very high0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-63.1-31.1176.1-23.535.7000114.1A243 M313 P607 L614A243-P610 HydrophobicContact CB-CB 3.95Å; A243-P610 HydrophobicContact CB-CG 4.39Å; M313-P610 HydrophobicContact CE-CG 4.09Å; M313-P610 HydrophobicContact SD-CG 4.29Å; P607-P610 WeakPolarHBondContact O-CD 3.24Å; P610-L614 WeakPolarHBondContact O-CB 3.26Å; P610-L614 PolarHBondContact O-N 3.01Å
611L93.5Very high91Very high47 Ų4722.3 Ų22.325%0.24611%0.11CC..Hα-helixtrans-68.1-45.8177175.165.9000111.1S244 L608 A609 A613 L614 M615S244-L611 WeakPolarHBondContact OG-CA 3.42Å; S244-L611 WeakPolarHBondContact OG-CB 3.43Å; S244-L611 WeakPolarHBondContact OG-CD1 3.42Å; L608-L611 HydrophobicContact CD2-CD2 4.3Å; L608-L611 WeakPolarHBondContact O-CB 3.29Å; L608-L611 PolarHBondContact O-N 3.2Å; A609-L611 VanDerWaalsContact C-N 3.3Å; A609-L611 PolarHBondContact O-N 2.8Å; L611-A613 VanDerWaalsContact C-N 3.34Å; L611-L614 WeakPolarHBondContact O-CB 3.36Å; L611-L614 PolarHBondContact O-N 3.36Å; L611-M615 HydrophobicContact CG-SD 4.46Å; L611-M615 WeakPolarHBondContact O-CG 3.46Å; L611-M615 PolarHBondContact O-N 3.45Å
612F90.9Very high90.7Very high68 Ų6822.4 Ų22.430%0.29811%0.11SC..Hα-helixtrans-64.6-40.5176.8-64.8-57.8000111.8L527 V531 L608 A609 L614 M615 N616L527-F612 HydrophobicContact CD2-CD2 3.42Å; L527-F612 VanDerWaalsContact CD2-CD2 3.42Å; L527-F612 HydrophobicContact CD2-CE2 3.25Å; L527-F612 HydrophobicContact CD2-CG 4.46Å; L527-F612 HydrophobicContact CD2-CZ 4.19Å; V531-F612 HydrophobicContact CG2-CD1 4.37Å; V531-F612 HydrophobicContact CG2-CG 4.37Å; L608-F612 HydrophobicContact CB-CD2 4.19Å; L608-F612 HydrophobicContact CB-CE2 3.69Å; L608-F612 HydrophobicContact CB-CZ 4.49Å; L608-F612 HydrophobicContact CD1-CE2 4.44Å; L608-F612 VanDerWaalsContact O-CD2 3.24Å; L608-F612 WeakPolarHBondContact O-CD2 3.32Å; L608-F612 PolarHBondContact O-N 3.39Å; A609-F612 PolarHBondContact O-N 3.01Å; F612-L614 PolarHBondContact O-N 2.77Å; F612-M615 PolarHBondContact O-N 2.8Å; F612-N616 WeakPolarHBondContact O-CB 3.26Å; F612-N616 PolarHBondContact O-N 2.82Å
613A91.6Very high90.4Very high1 Ų122.8 Ų22.81%0.00811%0.112CC..Hα-helixtrans-59.6-43.2172.600000112.7L240 M530 Q595 I599 A609 L611 N616 N617L240-A613 HydrophobicContact CD1-CB 4.14Å; L240-A613 HydrophobicContact CD2-CB 4.47Å; M530-A613 HydrophobicContact CE-CB 4.21Å; Q595-A613 HydrophobicContact CG-CB 4.21Å; Q595-A613 VanDerWaalsContact NE2-CA 3.33Å; Q595-A613 PolarHBondContact NE2-O 3.45Å; I599-A613 HydrophobicContact CG2-CB 3.74Å; A609-A613 WeakPolarHBondContact O-CB 3.29Å; A609-A613 PolarHBondContact O-N 2.8Å; L611-A613 VanDerWaalsContact C-N 3.34Å; A613-N616 WeakPolarHBondContact O-CB 3.47Å; A613-N616 PolarHBondContact O-N 3.39Å; A613-N617 PolarHBondContact O-N 3.34Å; A613-N617 PolarHBondContact O-OD1 3.05Å
614L93.1Very high90.2Very high19 Ų1922.8 Ų22.810%0.09911%0.112CC..Hα-helixtrans-62.9-48.5176.9176.872.2000111.5T237 L240 L241 P610 L611 F612 N616 N617 W618T237-L614 HydrophobicContact CG2-CD1 3.86Å; T237-L614 VanDerWaalsContact O-CD1 3.27Å; T237-L614 WeakPolarHBondContact O-CD1 3.47Å; L240-L614 HydrophobicContact CB-CB 4.22Å; L240-L614 HydrophobicContact CB-CD1 3.92Å; L241-L614 HydrophobicContact CD2-CD1 3.91Å; L241-L614 HydrophobicContact CD2-CD2 3.67Å; L241-L614 HydrophobicContact CD2-CG 4.42Å; L241-L614 HydrophobicContact CG-CD1 4.07Å; P610-L614 WeakPolarHBondContact O-CB 3.26Å; P610-L614 PolarHBondContact O-N 3.01Å; L611-L614 WeakPolarHBondContact O-CB 3.36Å; L611-L614 PolarHBondContact O-N 3.36Å; F612-L614 PolarHBondContact O-N 2.77Å; L614-N616 PolarHBondContact O-N 2.77Å; L614-N617 PolarHBondContact O-N 3.35Å; L614-W618 WeakPolarHBondContact O-CB 3.45Å; L614-W618 PolarHBondContact O-N 2.75Å
615M90.1Very high90.2Very high114 Ų11422.7 Ų22.756%0.56211%0.111SC*.Hα-helixtrans-59.3-40.9177.9-72.4178.764.100111.1L611 F612 V619L611-M615 HydrophobicContact CG-SD 4.46Å; L611-M615 WeakPolarHBondContact O-CG 3.46Å; L611-M615 PolarHBondContact O-N 3.45Å; F612-M615 PolarHBondContact O-N 2.8Å; M615-V619 PolarHBondContact O-N 3.42Å
616N88.2Confident90.1Very high18 Ų1824 Ų2410%0.09612%0.117CC..Hα-helixtrans-60.2-60.4175.2177.239.1000111.9Q534 Q595 F612 A613 L614 W618 V619 E620Q534-N616 HydrophobicContact CG-CB 4.05Å; Q534-N616 WeakPolarHBondContact CG-ND2 3.43Å; Q534-N616 WeakPolarHBondContact CG-OD1 3.32Å; Q534-N616 VanDerWaalsContact NE2-CG 3.31Å; Q534-N616 PolarHBondContact NE2-ND2 2.91Å; Q534-N616 PolarHBondContact NE2-OD1 3.37Å; Q534-N616 PolarHBondContact OE1-ND2 3.16Å; Q595-N616 PolarHBondContact OE1-ND2 2.84Å; F612-N616 WeakPolarHBondContact O-CB 3.26Å; F612-N616 PolarHBondContact O-N 2.82Å; A613-N616 WeakPolarHBondContact O-CB 3.47Å; A613-N616 PolarHBondContact O-N 3.39Å; L614-N616 PolarHBondContact O-N 2.77Å; N616-W618 PolarHBondContact O-N 3.31Å; N616-V619 WeakPolarHBondContact O-CA 3.14Å; N616-V619 WeakPolarHBondContact O-CB 3.32Å; N616-V619 PolarHBondContact O-N 3.27Å; N616-E620 PolarHBondContact O-N 3.45Å
617N90.5Very high90Very high0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-57.8-33-175.4-68.89.8000112.1Y236 T237 L240 Q595 A613 L614 V619 E620 I621Y236-N617 WeakPolarHBondContact CD1-ND2 3.37Å; Y236-N617 WeakPolarHBondContact CE1-ND2 3.4Å; T237-N617 HydrophobicContact CG2-CB 4.09Å; T237-N617 WeakPolarHBondContact OG1-CB 3.4Å; L240-N617 WeakPolarHBondContact CD1-ND2 3.49Å; Q595-N617 PolarHBondContact NE2-OD1 2.91Å; Q595-N617 PolarHBondContact OE1-OD1 3.45Å; A613-N617 PolarHBondContact O-N 3.34Å; A613-N617 PolarHBondContact O-OD1 3.05Å; L614-N617 PolarHBondContact O-N 3.35Å; N617-V619 VanDerWaalsContact C-N 3.31Å; N617-V619 PolarHBondContact O-N 2.81Å; N617-E620 PolarHBondContact O-N 3.06Å; N617-I621 VanDerWaalsContact O-CG1 3.24Å; N617-I621 WeakPolarHBondContact O-CG1 3.48Å; N617-I621 PolarHBondContact O-N 3.3Å
618W88.9Confident89.9Confident81 Ų8124.4 Ų24.431%0.30712%0.119SC..Hα-helixtrans-61.6-39.1176.4-161.4-77.4000112.9W209 T237 L614 N616W209-W618 AromaticContact CE3-NE1 3.43Å; W209-W618 WeakPolarHBondContact O-CZ2 3.49Å; W209-W618 PolarHBondContact O-NE1 2.96Å; T237-W618 HydrophobicContact CG2-CE3 4.06Å; L614-W618 WeakPolarHBondContact O-CB 3.45Å; L614-W618 PolarHBondContact O-N 2.75Å; N616-W618 PolarHBondContact O-N 3.31Å
619V87.3Confident89.9Confident59 Ų5923.2 Ų23.236%0.35811%0.112SC..Hα-helixtrans-74.6-45.6174.2174.50000110.1W206 M615 N616 N617 I621 R622 L623W206-V619 HydrophobicContact CH2-CG1 4.08Å; W206-V619 HydrophobicContact CZ3-CG1 4.45Å; M615-V619 PolarHBondContact O-N 3.42Å; N616-V619 WeakPolarHBondContact O-CA 3.14Å; N616-V619 WeakPolarHBondContact O-CB 3.32Å; N616-V619 PolarHBondContact O-N 3.27Å; N617-V619 VanDerWaalsContact C-N 3.31Å; N617-V619 PolarHBondContact O-N 2.81Å; V619-I621 PolarHBondContact O-N 3.44Å; V619-R622 PolarHBondContact O-N 3.22Å; V619-L623 HydrophobicContact CG1-CD1 3.72Å; V619-L623 HydrophobicContact CG1-CG 4.07Å; V619-L623 PolarHBondContact O-N 3.42Å
620E87.3Confident89.7Confident5 Ų525.6 Ų25.62%0.02312%0.122CC..Hα-helixtrans-58.6-47.5-174.9-159.862.3-147.400112.3Q534 M592 N616 N617 R622 L623 D624Q534-E620 PolarHBondContact NE2-OE2 2.9Å; Q534-E620 VanDerWaalsContact NE2-OE2 3.09Å; M592-E620 HydrophobicContact CE-CG 3.89Å; N616-E620 PolarHBondContact O-N 3.45Å; N617-E620 PolarHBondContact O-N 3.06Å; E620-R622 PolarHBondContact O-N 3.03Å; E620-L623 PolarHBondContact O-N 3.31Å; E620-D624 WeakPolarHBondContact O-CB 3.37Å; E620-D624 PolarHBondContact O-N 3.36Å
621I89.7Confident89.4Confident12 Ų1227.6 Ų27.66%0.06213%0.132CC..Hα-helixtrans-51.2-37.1176.8-72.6169.5000111.6Q213 I233 T237 N617 V619 A625Q213-I621 HydrophobicContact CG-CG2 4.4Å; I233-I621 HydrophobicContact CB-CG1 4.48Å; I233-I621 HydrophobicContact CD1-CG1 3.8Å; I233-I621 HydrophobicContact CG1-CD1 4.21Å; I233-I621 HydrophobicContact CG1-CG1 3.83Å; I233-I621 HydrophobicContact CG2-CD1 4.34Å; I233-I621 HydrophobicContact CG2-CG1 3.89Å; T237-I621 HydrophobicContact CG2-CD1 4.37Å; T237-I621 WeakPolarHBondContact OG1-CD1 3.44Å; N617-I621 VanDerWaalsContact O-CG1 3.24Å; N617-I621 WeakPolarHBondContact O-CG1 3.48Å; N617-I621 PolarHBondContact O-N 3.3Å; V619-I621 PolarHBondContact O-N 3.44Å; I621-A625 VanDerWaalsContact O-CB 3.27Å; I621-A625 WeakPolarHBondContact O-CB 3.26Å; I621-A625 PolarHBondContact O-N 2.91Å; I621-A625 VanDerWaalsContact O-N 3.13Å
622R89.5Confident89.2Confident11 Ų1126 Ų264%0.04212%0.123CC..Hα-helixtrans-84-36.6-177.9-57-57.7173176.4-2.3112.3W203 W206 C208 W209 R211 V619 E620 Q626W203-R622 PolarHBondContact O-NH1 2.77Å; W206-R622 HydrophobicContact CE3-CB 4.18Å; W206-R622 HydrophobicContact CH2-CB 4.38Å; W206-R622 HydrophobicContact CZ3-CB 3.95Å; C208-R622 PolarHBondContact O-NH1 2.91Å; C208-R622 PolarHBondContact O-NH2 3.3Å; W209-R622 PolarHBondContact O-NH2 3.37Å; R211-R622 PolarHBondContact O-NH2 3.14Å; V619-R622 PolarHBondContact O-N 3.22Å; E620-R622 PolarHBondContact O-N 3.03Å; R622-Q626 WeakPolarHBondContact O-CG 3.41Å; R622-Q626 PolarHBondContact O-N 3.48Å; R622-Q626 VanDerWaalsContact O-N 3.08Å
623L86.8Confident89.2Confident11 Ų1123.7 Ų23.76%0.05811%0.112CC..Hα-helixtrans-62.7-47.9173.3-70.8178.9000110.6W206 L541 I542 V619 E620 A625 Q626 K627W206-L623 HydrophobicContact CH2-CD2 3.7Å; W206-L623 HydrophobicContact CH2-CG 3.96Å; W206-L623 HydrophobicContact CZ2-CD2 3.49Å; W206-L623 VanDerWaalsContact CZ2-CD2 3.49Å; W206-L623 HydrophobicContact CZ2-CG 4.25Å; L541-L623 HydrophobicContact CD2-CB 4.22Å; I542-L623 HydrophobicContact CD1-CD2 3.89Å; I542-L623 HydrophobicContact CG1-CD2 4.14Å; V619-L623 HydrophobicContact CG1-CD1 3.72Å; V619-L623 HydrophobicContact CG1-CG 4.07Å; V619-L623 PolarHBondContact O-N 3.42Å; E620-L623 PolarHBondContact O-N 3.31Å; L623-A625 PolarHBondContact O-N 3.16Å; L623-Q626 PolarHBondContact O-N 3.42Å; L623-Q626 VanDerWaalsContact O-N 3.15Å; L623-K627 WeakPolarHBondContact O-CB 3.43Å; L623-K627 PolarHBondContact O-N 3.33Å
624D87.9Confident89.2Confident0 Ų023.8 Ų23.80%011%0.112CC..Hα-helixtrans-60-47.2175.6-82.4-16000111.8Y229 F230 E620 Q626 K627 Y628Y229-D624 PolarHBondContact OH-OD2 3.17Å; F230-D624 HydrophobicContact CE1-CB 3.8Å; F230-D624 HydrophobicContact CZ-CB 3.84Å; E620-D624 WeakPolarHBondContact O-CB 3.37Å; E620-D624 PolarHBondContact O-N 3.36Å; D624-Q626 PolarHBondContact O-N 3.04Å; D624-K627 VanDerWaalsContact O-CB 3.27Å; D624-K627 WeakPolarHBondContact O-CB 3.15Å; D624-K627 PolarHBondContact O-N 3.46Å; D624-K627 VanDerWaalsContact O-N 3.12Å; D624-Y628 VanDerWaalsContact O-CD2 3.3Å; D624-Y628 WeakPolarHBondContact O-CD2 3.42Å; D624-Y628 PolarHBondContact O-N 2.88Å
625A90.9Very high89.2Confident0 Ų023.9 Ų23.90%011%0.114CC..Hα-helixtrans-57.3-37.8176.500000112.6W203 I621 L623 V629W203-A625 HydrophobicContact CD2-CB 3.73Å; W203-A625 VanDerWaalsContact CE2-CB 3.49Å; W203-A625 HydrophobicContact CE3-CB 3.98Å; W203-A625 HydrophobicContact CG-CB 4.4Å; W203-A625 HydrophobicContact CH2-CB 3.84Å; W203-A625 HydrophobicContact CZ2-CB 3.57Å; W203-A625 HydrophobicContact CZ3-CB 4.03Å; I621-A625 VanDerWaalsContact O-CB 3.27Å; I621-A625 WeakPolarHBondContact O-CB 3.26Å; I621-A625 PolarHBondContact O-N 2.91Å; I621-A625 VanDerWaalsContact O-N 3.13Å; L623-A625 PolarHBondContact O-N 3.16Å; A625-V629 WeakPolarHBondContact O-CB 3.34Å; A625-V629 VanDerWaalsContact O-CG2 3.28Å; A625-V629 WeakPolarHBondContact O-CG2 3.47Å; A625-V629 PolarHBondContact O-N 3.47Å
626Q88.6Confident89.2Confident27 Ų2719.9 Ų19.913%0.12610%0.095CC..Hα-helixtrans-69.7-41.7176.4-72.6-179.514.200112.4S204 R622 L623 D624 V629 K630S204-Q626 WeakPolarHBondContact O-CG 3.29Å; S204-Q626 PolarHBondContact O-NE2 3.21Å; R622-Q626 WeakPolarHBondContact O-CG 3.41Å; R622-Q626 PolarHBondContact O-N 3.48Å; R622-Q626 VanDerWaalsContact O-N 3.08Å; L623-Q626 PolarHBondContact O-N 3.42Å; L623-Q626 VanDerWaalsContact O-N 3.15Å; D624-Q626 PolarHBondContact O-N 3.04Å; Q626-V629 PolarHBondContact O-N 2.92Å; Q626-K630 WeakPolarHBondContact O-CB 3.48Å; Q626-K630 PolarHBondContact O-N 2.69Å
627K86.8Confident89.3Confident11 Ų1119.4 Ų19.45%0.0489%0.093CC..Iπ-helixtrans-55-52.2177.2-163-167.9-162.2178.50110.8E588 L623 D624 V629 E631 F632E588-K627 IonicContact OE1-NZ 3.96Å; E588-K627 PolarHBondContact OE1-NZ 2.89Å; L623-K627 WeakPolarHBondContact O-CB 3.43Å; L623-K627 PolarHBondContact O-N 3.33Å; D624-K627 VanDerWaalsContact O-CB 3.27Å; D624-K627 WeakPolarHBondContact O-CB 3.15Å; D624-K627 PolarHBondContact O-N 3.46Å; D624-K627 VanDerWaalsContact O-N 3.12Å; K627-V629 PolarHBondContact O-N 3.01Å; K627-E631 PolarHBondContact O-N 2.96Å; K627-F632 HydrophobicContact CB-CD2 4.48Å; K627-F632 HydrophobicContact CD-CD2 4.09Å; K627-F632 HydrophobicContact CD-CE1 4.47Å; K627-F632 HydrophobicContact CD-CE2 3.35Å; K627-F632 HydrophobicContact CD-CZ 3.63Å; K627-F632 VanDerWaalsContact CE-CE2 3.45Å; K627-F632 HydrophobicContact CG-CD1 4.35Å; K627-F632 HydrophobicContact CG-CD2 3.73Å; K627-F632 HydrophobicContact CG-CE1 4.11Å; K627-F632 HydrophobicContact CG-CE2 3.45Å; K627-F632 VanDerWaalsContact CG-CE2 3.45Å; K627-F632 HydrophobicContact CG-CG 4.22Å; K627-F632 HydrophobicContact CG-CZ 3.71Å; K627-F632 PolarHBondContact O-N 3.49Å
628Y90.2Very high89.2Confident1 Ų123 Ų230%0.00411%0.11CC..Iπ-helixtrans-66.4-36.6-179.7-82.9-82.6000113.9F222 I226 F230 L585 D624 F632 P635F222-Y628 HydrophobicContact CE1-CD1 4.4Å; F222-Y628 WeakPolarHBondContact CZ-O 3.4Å; I226-Y628 HydrophobicContact CD1-CD1 4.38Å; I226-Y628 HydrophobicContact CD1-CE1 3.81Å; I226-Y628 HydrophobicContact CG1-CE1 4.28Å; I226-Y628 HydrophobicContact CG2-CE1 4.28Å; F230-Y628 HydrophobicContact CE2-CD2 4.02Å; F230-Y628 HydrophobicContact CE2-CE2 4.22Å; F230-Y628 AromaticContact CZ-CD2 3.89Å; F230-Y628 HydrophobicContact CZ-CD2 3.89Å; F230-Y628 HydrophobicContact CZ-CE2 4.2Å; L585-Y628 WeakPolarHBondContact CD2-OH 3.24Å; D624-Y628 VanDerWaalsContact O-CD2 3.3Å; D624-Y628 WeakPolarHBondContact O-CD2 3.42Å; D624-Y628 PolarHBondContact O-N 2.88Å; Y628-F632 HydrophobicContact CD1-CD2 4.33Å; Y628-F632 HydrophobicContact CE1-CD2 4.41Å; Y628-F632 HydrophobicContact CG-CD2 4.45Å; Y628-P635 HydrophobicContact CE1-CG 4.42Å
629V91.3Very high89.2Confident0 Ų022.2 Ų22.20%011%0.107CC..Iπ-helixtrans-82.8-36.4-175.9174.80000112.6R196 L199 H200 W203 F222 A625 Q626 K627R196-V629 HydrophobicContact CG-CG1 4.4Å; R196-V629 PolarHBondContact NE-O 3.26Å; R196-V629 VanDerWaalsContact NE-O 3.16Å; R196-V629 PolarHBondContact NH2-O 2.71Å; L199-V629 HydrophobicContact CB-CG2 4.17Å; H200-V629 HydrophobicContact CB-CG1 3.96Å; W203-V629 HydrophobicContact CE3-CG2 4.14Å; W203-V629 HydrophobicContact CZ3-CG2 3.94Å; F222-V629 HydrophobicContact CE2-CG2 4.43Å; F222-V629 HydrophobicContact CZ-CG2 4.42Å; A625-V629 WeakPolarHBondContact O-CB 3.34Å; A625-V629 VanDerWaalsContact O-CG2 3.28Å; A625-V629 WeakPolarHBondContact O-CG2 3.47Å; A625-V629 PolarHBondContact O-N 3.47Å; Q626-V629 PolarHBondContact O-N 2.92Å; K627-V629 PolarHBondContact O-N 3.01Å
630K87.5Confident89.3Confident52 Ų5220.2 Ų20.223%0.22610%0.097CC..Iπ-helixtrans-112.5-37-168.1-62.6173.8-178.5170.10115.1Y181 H200 L579 Q626Y181-K630 HydrophobicContact CD2-CG 4.27Å; Y181-K630 HydrophobicContact CE2-CG 4.34Å; Y181-K630 HydrophobicContact CG-CG 4.46Å; H200-K630 WeakPolarHBondContact CD2-CE 3.17Å; H200-K630 WeakPolarHBondContact NE2-CE 2.95Å; L579-K630 WeakPolarHBondContact CD2-O 3.25Å; Q626-K630 WeakPolarHBondContact O-CB 3.48Å; Q626-K630 PolarHBondContact O-N 2.69Å
631E86.2Confident89.5Confident43 Ų4321.5 Ų21.520%0.20110%0.103CC..Iπ-helixtrans-106.8-33.2-163.8-56.2-163.7172.100112.6Q545 L579 L580 K627Q545-E631 WeakPolarHBondContact CB-OE2 3.4Å; Q545-E631 PolarHBondContact OE1-OE2 3.36Å; L579-E631 WeakPolarHBondContact CB-O 3.26Å; L580-E631 PolarHBondContact N-O 3.17Å; K627-E631 PolarHBondContact O-N 2.96Å
632F89.3Confident89.5Confident13 Ų1323.9 Ų23.96%0.05712%0.116CC..BIsolated β-bridgetrans-87.4146.3176.7-72.3-24.1000113.1H177 L580 C582 K627 Y628H177-F632 PolarHBondContact NE2-O 3.05Å; H177-F632 VanDerWaalsContact NE2-O 3.09Å; L580-F632 HydrophobicContact CB-CD1 3.88Å; L580-F632 HydrophobicContact CB-CE1 4.2Å; L580-F632 CarbonylContact O-C 3.5Å; L580-F632 WeakPolarHBondContact O-CA 3.41Å; C582-F632 HydrophobicContact CB-CD2 4.24Å; C582-F632 HydrophobicContact CB-CG 4.36Å; K627-F632 HydrophobicContact CB-CD2 4.48Å; K627-F632 HydrophobicContact CD-CD2 4.09Å; K627-F632 HydrophobicContact CD-CE1 4.47Å; K627-F632 HydrophobicContact CD-CE2 3.35Å; K627-F632 HydrophobicContact CD-CZ 3.63Å; K627-F632 VanDerWaalsContact CE-CE2 3.45Å; K627-F632 HydrophobicContact CG-CD1 4.35Å; K627-F632 HydrophobicContact CG-CD2 3.73Å; K627-F632 HydrophobicContact CG-CE1 4.11Å; K627-F632 HydrophobicContact CG-CE2 3.45Å; K627-F632 VanDerWaalsContact CG-CE2 3.45Å; K627-F632 HydrophobicContact CG-CG 4.22Å; K627-F632 HydrophobicContact CG-CZ 3.71Å; K627-F632 PolarHBondContact O-N 3.49Å; Y628-F632 HydrophobicContact CD1-CD2 4.33Å; Y628-F632 HydrophobicContact CE1-CD2 4.41Å; Y628-F632 HydrophobicContact CG-CD2 4.45Å
633R90.8Very high89.7Confident20 Ų2023.9 Ų23.98%0.07512%0.116CC..PPolyproline II helixtrans-61.2148.2158.5-65.5177.5-170174.30.6108.8A172 D576 Y577 L579 L580 P635A172-R633 VanDerWaalsContact CB-NH1 3.29Å; D576-R633 WeakPolarHBondContact O-CG 3.24Å; D576-R633 PolarHBondContact O-NE 3.34Å; Y577-R633 PolarHBondContact O-NH2 3.02Å; L579-R633 HydrophobicContact CB-CG 3.69Å; L579-R633 PolarHBondContact O-NE 3.38Å; L579-R633 PolarHBondContact O-NH2 2.96Å; L580-R633 WeakPolarHBondContact O-CG 3.35Å; L580-R633 PolarHBondContact O-N 3.33Å; R633-P635 WeakPolarHBondContact O-CD 3.45Å; R633-P635 VanDerWaalsContact O-N 3.15Å
634R92.7Very high89.8Confident3 Ų324.1 Ų24.11%0.01112%0.122CC..PPolyproline II helixtrans-58.5121.1175.6-167.6176.2-174.2171.32.6108.8H139 P175 L176 H177 E178 Y221H139-R634 PolarHBondContact CE1-NH1 3.43Å; P175-R634 WeakPolarHBondContact CD-O 3.46Å; P175-R634 HydrophobicContact CG-CB 4.14Å; P175-R634 HydrophobicContact CG-CG 4.2Å; P175-R634 WeakPolarHBondContact CG-O 3.41Å; L176-R634 VanDerWaalsContact O-CD 3.28Å; L176-R634 WeakPolarHBondContact O-CD 3.35Å; L176-R634 PolarHBondContact O-NH1 3.42Å; H177-R634 PolarHBondContact NE2-N 2.97Å; E178-R634 IonicContact OE1-NH1 3.9Å; E178-R634 IonicContact OE1-NH2 2.73Å; Y221-R634 PolarHBondContact O-NE 2.71Å; Y221-R634 PolarHBondContact O-NH2 3.35Å
635P92.5Very high90.1Very high20 Ų2025.6 Ų25.613%0.1313%0.129CC..PPolyproline II helixtrans-67.7157.1174.126.7-31.7000110.2F222 I226 C582 Y628 R633F222-P635 HydrophobicContact CD1-CG 4.13Å; I226-P635 HydrophobicContact CD1-CB 4.1Å; I226-P635 HydrophobicContact CD1-CG 3.29Å; C582-P635 HydrophobicContact CB-CB 4.31Å; Y628-P635 HydrophobicContact CE1-CG 4.42Å; R633-P635 WeakPolarHBondContact O-CD 3.45Å; R633-P635 VanDerWaalsContact O-N 3.15Å
636V90.3Very high90.3Very high30 Ų3025.9 Ų25.918%0.18213%0.13CC..PPolyproline II helixtrans-65.8137.9168.8178.60000108.3F3 Y143 E638F3-V636 HydrophobicContact CE2-CG2 4.22Å; F3-V636 HydrophobicContact CZ-CG2 4.1Å; Y143-V636 HydrophobicContact CD1-CG1 3.69Å; Y143-V636 HydrophobicContact CD2-CB 4.5Å; Y143-V636 HydrophobicContact CD2-CG1 3.93Å; Y143-V636 HydrophobicContact CD2-CG2 3.87Å; Y143-V636 HydrophobicContact CE1-CG1 4.23Å; Y143-V636 HydrophobicContact CE2-CG1 4.48Å; Y143-V636 HydrophobicContact CE2-CG2 4.17Å; Y143-V636 HydrophobicContact CG-CG1 3.5Å; Y143-V636 HydrophobicContact CG-CG2 4.31Å; V636-E638 PolarHBondContact O-N 2.92Å
637V90.9Very high90.6Very high8 Ų826 Ų265%0.04813%0.13CC..PPolyproline II helixtrans-73.6123.2-177.5177.90000108.8T136 I140T136-V637 HydrophobicContact CG2-CG2 3.75Å; I140-V637 HydrophobicContact CD1-CB 4.32Å; I140-V637 HydrophobicContact CD1-CG1 3.76Å; I140-V637 HydrophobicContact CG1-CB 3.87Å; I140-V637 HydrophobicContact CG1-CG1 3.88Å
638E87.8Confident91.1Very high77 Ų7730.8 Ų30.836%0.3615%0.153SC..  trans-119.1133.6176.2-68.1177.9-176.800109.7K225 V636K225-E638 HydrophobicContact CB-CB 4.14Å; K225-E638 WeakPolarHBondContact CB-O 3.48Å; K225-E638 HydrophobicContact CD-CB 3.9Å; K225-E638 WeakPolarHBondContact CD-OE2 3.44Å; K225-E638 WeakPolarHBondContact CE-OE2 3.48Å; K225-E638 PolarHBondContact N-O 3.47Å; K225-E638 VanDerWaalsContact N-O 3.13Å; K225-E638 IonicContact NZ-OE2 2.58Å; K225-E638 PolarHBondContact NZ-OE2 3.22Å; V636-E638 PolarHBondContact O-N 2.92Å
639R88.7Confident91.4Very high63 Ų6331 Ų3124%0.23815%0.154CC..  trans-83.4139.5172.3-64.9-172.7-71.5163.50.1108.8I140 L340 E344I140-R639 HydrophobicContact CD1-CG 4.49Å; L340-R639 HydrophobicContact CD1-CB 4.18Å; L340-R639 HydrophobicContact CD2-CB 3.64Å; E344-R639 IonicContact OE2-CZ 2.7Å; E344-R639 IonicContact OE2-NH1 3.53Å; E344-R639 PolarHBondContact OE2-NH1 3.33Å; E344-R639 IonicContact OE2-NH2 3.59Å; E344-R639 PolarHBondContact OE2-NH2 2.9Å
640A89.7Confident91.6Very high17 Ų1731 Ų3114%0.1415%0.154CC..  trans-143.2137.1177.200000109.6K225 C337K225-A640 HydrophobicContact CB-CB 3.88Å; K225-A640 HydrophobicContact CG-CB 4.03Å; C337-A640 WeakPolarHBondContact CB-O 3.45Å
641Q90.8Very high91.9Very high32 Ų3231 Ų3115%0.1516%0.155CC..SBendtrans-87.8-30.5178.568.4177.313.900112.7S332 C337 L340 E341S332-Q641 VanDerWaalsContact CB-O 3.23Å; S332-Q641 WeakPolarHBondContact CB-O 3.42Å; S332-Q641 PolarHBondContact OG-O 2.82Å; S332-Q641 VanDerWaalsContact OG-O 3.11Å; C337-Q641 WeakPolarHBondContact O-CB 3.3Å; L340-Q641 HydrophobicContact CB-CB 4.41Å; E341-Q641 VanDerWaalsContact CD-CD 3.44Å; E341-Q641 HydrophobicContact CG-CG 4.11Å; E341-Q641 WeakPolarHBondContact OE1-CG 3.18Å; E341-Q641 PolarHBondContact OE1-NE2 3.06Å; E341-Q641 PolarHBondContact OE2-NE2 3.05Å
642D91.5Very high92.4Very high62 Ų6233.4 Ų33.433%0.33217%0.165SC..SBendtrans-150.1-176.6-179.759.730.2000110.9L228 G644L228-D642 VanDerWaalsContact CD2-O 3.23Å; L228-D642 WeakPolarHBondContact CD2-O 3.41Å; D642-G644 PolarHBondContact O-N 3.03Å; D642-G644 VanDerWaalsContact OD1-CA 3.23Å; D642-G644 WeakPolarHBondContact OD1-CA 3.27Å; D642-G644 PolarHBondContact OD1-N 3.19Å
643I91.9Very high92.7Very high11 Ų1132.8 Ų32.86%0.05616%0.162CC..  trans-78.96.1175.863.2170.7000112.3L228 W232 W324 Y589 W646 F647 L650L228-I643 HydrophobicContact CD2-CG2 3.91Å; L228-I643 HydrophobicContact CG-CG2 4.07Å; W232-I643 HydrophobicContact CB-CG2 4.45Å; W324-I643 HydrophobicContact CZ2-CG2 3.71Å; Y589-I643 HydrophobicContact CE1-CB 4.36Å; Y589-I643 HydrophobicContact CE1-CG2 4.2Å; Y589-I643 WeakPolarHBondContact OH-CG2 3.48Å; I643-W646 HydrophobicContact CD1-CB 4.06Å; I643-W646 HydrophobicContact CG1-CB 4.26Å; I643-F647 HydrophobicContact CD1-CB 4.09Å; I643-F647 HydrophobicContact CG1-CB 4.08Å; I643-L650 HydrophobicContact CD1-CD1 4.39Å
644G90.1Very high92.9Very high17 Ų1732 Ų3218%0.17516%0.16CC..THydrogen-bonded Turntrans66.7-148.3-177.600000113.8D642 W646 F647D642-G644 PolarHBondContact O-N 3.03Å; D642-G644 VanDerWaalsContact OD1-CA 3.23Å; D642-G644 WeakPolarHBondContact OD1-CA 3.27Å; D642-G644 PolarHBondContact OD1-N 3.19Å; G644-W646 PolarHBondContact O-N 3.34Å; G644-F647 PolarHBondContact O-N 3.05Å
645I94.3Very high92.9Very high30 Ų3035.1 Ų35.115%0.15417%0.174CC..THydrogen-bonded Turntrans-56.2-19-178.3-165.963.4000114.6D467 I470 L471 F647 H648 I649D467-I645 HydrophobicContact CB-CB 4.04Å; D467-I645 HydrophobicContact CB-CG2 4.23Å; D467-I645 WeakPolarHBondContact OD1-CB 3.21Å; D467-I645 PolarHBondContact OD1-N 2.91Å; D467-I645 VanDerWaalsContact OD1-N 3.07Å; I470-I645 HydrophobicContact CB-CG2 3.64Å; I470-I645 HydrophobicContact CD1-CG2 4.06Å; I470-I645 HydrophobicContact CG1-CG2 4.46Å; I470-I645 HydrophobicContact CG2-CG2 3.35Å; L471-I645 HydrophobicContact CB-CG1 4.5Å; I645-F647 PolarHBondContact O-N 2.97Å; I645-H648 HydrophobicContact CD1-CB 4.14Å; I645-H648 PolarHBondContact O-N 3.11Å; I645-H648 VanDerWaalsContact O-N 3.13Å; I645-I649 HydrophobicContact CG1-CD1 4.34Å; I645-I649 HydrophobicContact CG1-CG1 4.47Å; I645-I649 HydrophobicContact CG2-CD1 4.21Å; I645-I649 WeakPolarHBondContact O-CG1 3.34Å; I645-I649 PolarHBondContact O-N 3.47Å
646W95.6Very high92.9Very high7 Ų737.4 Ų37.43%0.02718%0.184CC..Hα-helixtrans-56.4-33.9178.1-66122.9000112.8I470 F474 F586 Y589 L590 V593 I643 G644 I649 L650I470-W646 HydrophobicContact CB-CZ2 4.4Å; I470-W646 HydrophobicContact CD1-CZ2 4.37Å; I470-W646 HydrophobicContact CG1-CZ2 4.06Å; I470-W646 HydrophobicContact CG2-CD2 3.86Å; I470-W646 HydrophobicContact CG2-CE3 3.95Å; I470-W646 HydrophobicContact CG2-CH2 3.58Å; I470-W646 HydrophobicContact CG2-CZ2 3.47Å; I470-W646 VanDerWaalsContact CG2-CZ2 3.47Å; I470-W646 HydrophobicContact CG2-CZ3 3.82Å; F474-W646 HydrophobicContact CD2-CZ3 4.47Å; F586-W646 HydrophobicContact CD2-CH2 4.28Å; F586-W646 AromaticContact CD2-CZ2 3.75Å; F586-W646 HydrophobicContact CD2-CZ2 3.75Å; F586-W646 AromaticContact CE2-CH2 3.86Å; F586-W646 HydrophobicContact CE2-CH2 3.86Å; F586-W646 AromaticContact CE2-CZ2 3.79Å; F586-W646 HydrophobicContact CE2-CZ2 3.79Å; Y589-W646 VanDerWaalsContact CB-CE2 3.43Å; Y589-W646 HydrophobicContact CD1-CG 4.44Å; Y589-W646 AromaticContact CD2-NE1 3.78Å; Y589-W646 AromaticContact CG-CD1 3.79Å; Y589-W646 HydrophobicContact CG-CG 4.37Å; Y589-W646 AromaticContact CG-NE1 3.66Å; L590-W646 HydrophobicContact CB-CH2 3.75Å; L590-W646 HydrophobicContact CB-CZ2 4.45Å; L590-W646 HydrophobicContact CD1-CH2 4Å; L590-W646 HydrophobicContact CD1-CZ3 4.26Å; L590-W646 HydrophobicContact CG-CH2 4.49Å; V593-W646 HydrophobicContact CB-CE3 4.24Å; V593-W646 HydrophobicContact CB-CZ3 4.27Å; V593-W646 HydrophobicContact CG1-CE3 4.27Å; V593-W646 HydrophobicContact CG1-CZ3 4.35Å; V593-W646 HydrophobicContact CG2-CD2 4.36Å; V593-W646 HydrophobicContact CG2-CE3 3.73Å; V593-W646 HydrophobicContact CG2-CZ3 4.2Å; I643-W646 HydrophobicContact CD1-CB 4.06Å; I643-W646 HydrophobicContact CG1-CB 4.26Å; G644-W646 PolarHBondContact O-N 3.34Å; W646-I649 HydrophobicContact CE3-CD1 3.74Å; W646-I649 HydrophobicContact CZ3-CD1 4.07Å; W646-I649 PolarHBondContact O-N 3.23Å; W646-L650 VanDerWaalsContact O-CG 3.3Å; W646-L650 WeakPolarHBondContact O-CG 3.23Å; W646-L650 PolarHBondContact O-N 2.91Å
647F94.9Very high93.2Very high28 Ų2836 Ų3612%0.12318%0.176CC..Hα-helixtrans-62.2-47.9176.3-178.5-104.7000111.9L321 K325 I643 G644 I645 I649 L650 Q651L321-F647 HydrophobicContact CB-CE2 4.21Å; L321-F647 HydrophobicContact CD2-CD2 4.48Å; L321-F647 HydrophobicContact CD2-CE2 4.31Å; K325-F647 HydrophobicContact CB-CE2 4.09Å; K325-F647 HydrophobicContact CB-CZ 4.02Å; K325-F647 HydrophobicContact CD-CE1 4.39Å; K325-F647 HydrophobicContact CD-CZ 3.96Å; K325-F647 HydrophobicContact CG-CZ 4.22Å; I643-F647 HydrophobicContact CD1-CB 4.09Å; I643-F647 HydrophobicContact CG1-CB 4.08Å; G644-F647 PolarHBondContact O-N 3.05Å; I645-F647 PolarHBondContact O-N 2.97Å; F647-I649 VanDerWaalsContact C-N 3.3Å; F647-I649 PolarHBondContact O-N 2.85Å; F647-L650 PolarHBondContact O-N 2.53Å; F647-Q651 HydrophobicContact CD1-CG 4.45Å; F647-Q651 HydrophobicContact CE1-CG 4.08Å; F647-Q651 HydrophobicContact CZ-CG 4.2Å; F647-Q651 WeakPolarHBondContact O-CG 3.46Å; F647-Q651 PolarHBondContact O-N 3.14Å
648H95.4Very high93.4Very high112 Ų11235.9 Ų35.952%0.51918%0.175SC..Hα-helixtrans-65.2-34.5177.2-66.3-54000112.5I645 Q651 F652I645-H648 HydrophobicContact CD1-CB 4.14Å; I645-H648 PolarHBondContact O-N 3.11Å; I645-H648 VanDerWaalsContact O-N 3.13Å; H648-Q651 PolarHBondContact ND1-OE1 2.9Å; H648-Q651 PolarHBondContact O-N 3.41Å; H648-F652 PolarHBondContact O-N 3.49Å
649I96.7Very high93.7Very high6 Ų634.4 Ų34.43%0.03117%0.169CC..Hα-helixtrans-62.8-46.5173.4-71.5167.5000110.8I470 F474 V593 I645 W646 F647 Q651 F652 I653I470-I649 HydrophobicContact CG2-CD1 3.92Å; F474-I649 HydrophobicContact CB-CD1 3.91Å; F474-I649 HydrophobicContact CD1-CD1 3.94Å; F474-I649 HydrophobicContact CD1-CG1 3.92Å; F474-I649 HydrophobicContact CD1-CG2 3.86Å; F474-I649 HydrophobicContact CD2-CD1 4.37Å; F474-I649 HydrophobicContact CD2-CG2 3.71Å; F474-I649 HydrophobicContact CE1-CB 4.44Å; F474-I649 HydrophobicContact CE1-CG1 4.23Å; F474-I649 HydrophobicContact CE1-CG2 3.54Å; F474-I649 HydrophobicContact CE2-CG2 3.38Å; F474-I649 HydrophobicContact CG-CD1 3.78Å; F474-I649 HydrophobicContact CG-CG1 4.22Å; F474-I649 HydrophobicContact CG-CG2 3.94Å; F474-I649 HydrophobicContact CZ-CG2 3.3Å; V593-I649 HydrophobicContact CG1-CG2 3.64Å; I645-I649 HydrophobicContact CG1-CD1 4.34Å; I645-I649 HydrophobicContact CG1-CG1 4.47Å; I645-I649 HydrophobicContact CG2-CD1 4.21Å; I645-I649 WeakPolarHBondContact O-CG1 3.34Å; I645-I649 PolarHBondContact O-N 3.47Å; W646-I649 HydrophobicContact CE3-CD1 3.74Å; W646-I649 HydrophobicContact CZ3-CD1 4.07Å; W646-I649 PolarHBondContact O-N 3.23Å; F647-I649 VanDerWaalsContact C-N 3.3Å; F647-I649 PolarHBondContact O-N 2.85Å; I649-Q651 VanDerWaalsContact C-N 3.32Å; I649-Q651 PolarHBondContact O-N 2.92Å; I649-F652 WeakPolarHBondContact O-CB 3.25Å; I649-F652 PolarHBondContact O-N 3.25Å; I649-I653 HydrophobicContact CG2-CD1 3.99Å; I649-I653 WeakPolarHBondContact O-CG1 3.18Å; I649-I653 PolarHBondContact O-N 3.37Å
650L96.2Very high94Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-63.2-39.3177.5-69.4166.1000111.8W232 L321 V593 F596 I643 W646 F647 I653 S654W232-L650 HydrophobicContact CZ2-CD1 3.9Å; L321-L650 HydrophobicContact CD1-CB 4.36Å; L321-L650 HydrophobicContact CD2-CB 3.58Å; L321-L650 HydrophobicContact CD2-CD1 4.03Å; L321-L650 HydrophobicContact CD2-CG 4.4Å; V593-L650 HydrophobicContact CB-CD2 4.46Å; V593-L650 HydrophobicContact CG1-CD2 4.17Å; V593-L650 HydrophobicContact CG2-CD2 4.07Å; V593-L650 HydrophobicContact CG2-CG 4.34Å; F596-L650 HydrophobicContact CB-CD2 3.95Å; F596-L650 HydrophobicContact CD1-CD2 3.38Å; F596-L650 HydrophobicContact CD2-CD2 4.37Å; F596-L650 HydrophobicContact CE1-CD2 3.9Å; F596-L650 HydrophobicContact CG-CD2 3.64Å; I643-L650 HydrophobicContact CD1-CD1 4.39Å; W646-L650 VanDerWaalsContact O-CG 3.3Å; W646-L650 WeakPolarHBondContact O-CG 3.23Å; W646-L650 PolarHBondContact O-N 2.91Å; F647-L650 PolarHBondContact O-N 2.53Å; L650-I653 PolarHBondContact O-N 3.33Å; L650-S654 PolarHBondContact O-N 3.16Å
651Q94.5Very high94.2Very high51 Ų5131.2 Ų31.224%0.23816%0.155CC..Hα-helixtrans-59.1-48172.1-73.9-177.7-37.800111.2L321 F647 H648 I649 I653 S654 H655L321-Q651 HydrophobicContact CD1-CG 4.01Å; F647-Q651 HydrophobicContact CD1-CG 4.45Å; F647-Q651 HydrophobicContact CE1-CG 4.08Å; F647-Q651 HydrophobicContact CZ-CG 4.2Å; F647-Q651 WeakPolarHBondContact O-CG 3.46Å; F647-Q651 PolarHBondContact O-N 3.14Å; H648-Q651 PolarHBondContact ND1-OE1 2.9Å; H648-Q651 PolarHBondContact O-N 3.41Å; I649-Q651 VanDerWaalsContact C-N 3.32Å; I649-Q651 PolarHBondContact O-N 2.92Å; Q651-I653 VanDerWaalsContact C-N 3.34Å; Q651-I653 PolarHBondContact O-N 3.26Å; Q651-S654 WeakPolarHBondContact O-CB 3.21Å; Q651-S654 PolarHBondContact O-N 2.96Å; Q651-H655 PolarHBondContact O-N 3.46Å; Q651-H655 VanDerWaalsContact O-N 3.08Å; Q651-H655 PolarHBondContact O-ND1 3.45Å
652F95.4Very high94.3Very high94 Ų9429.7 Ų29.741%0.41215%0.148SC..Hα-helixtrans-57.4-45.9176.2167.6-100.6000112.1F474 F478 H648 I649 S654 H655 M656F474-F652 HydrophobicContact CE1-CD1 4.45Å; F478-F652 HydrophobicContact CE2-CE1 4.38Å; F478-F652 HydrophobicContact CZ-CE1 4.27Å; H648-F652 PolarHBondContact O-N 3.49Å; I649-F652 WeakPolarHBondContact O-CB 3.25Å; I649-F652 PolarHBondContact O-N 3.25Å; F652-S654 VanDerWaalsContact C-N 3.34Å; F652-S654 PolarHBondContact O-N 2.79Å; F652-H655 PolarHBondContact O-N 2.83Å; F652-M656 HydrophobicContact CD1-CG 4.48Å; F652-M656 HydrophobicContact CD2-CG 4.26Å; F652-M656 HydrophobicContact CE1-CG 3.97Å; F652-M656 HydrophobicContact CE2-CG 3.72Å; F652-M656 HydrophobicContact CE2-SD 4.19Å; F652-M656 HydrophobicContact CZ-CG 3.56Å; F652-M656 HydrophobicContact CZ-SD 4.18Å; F652-M656 WeakPolarHBondContact O-CG 3.15Å; F652-M656 PolarHBondContact O-N 3.24Å
653I96.3Very high94.4Very high0 Ų030.1 Ų30.10%015%0.147CC..Hα-helixtrans-59.9-43.8177.1-70170.3000111F474 F478 V593 F596 I601 I649 L650 Q651 H655 M656 A657F474-I653 HydrophobicContact CE2-CD1 4.04Å; F474-I653 HydrophobicContact CZ-CD1 3.91Å; F474-I653 HydrophobicContact CZ-CG1 4.14Å; F478-I653 HydrophobicContact CE2-CG1 4.33Å; V593-I653 HydrophobicContact CG1-CD1 3.74Å; F596-I653 HydrophobicContact CD1-CB 4.35Å; F596-I653 HydrophobicContact CD1-CG2 3.75Å; F596-I653 HydrophobicContact CE1-CB 4.35Å; F596-I653 HydrophobicContact CE1-CG2 3.89Å; I601-I653 HydrophobicContact CD1-CG2 4.13Å; I601-I653 HydrophobicContact CG1-CG2 4.19Å; I649-I653 HydrophobicContact CG2-CD1 3.99Å; I649-I653 WeakPolarHBondContact O-CG1 3.18Å; I649-I653 PolarHBondContact O-N 3.37Å; L650-I653 PolarHBondContact O-N 3.33Å; Q651-I653 VanDerWaalsContact C-N 3.34Å; Q651-I653 PolarHBondContact O-N 3.26Å; I653-H655 PolarHBondContact O-N 2.68Å; I653-M656 PolarHBondContact O-N 2.03Å; I653-A657 WeakPolarHBondContact O-CB 3.29Å; I653-A657 PolarHBondContact O-N 3.47Å
654S94Very high94.5Very high4 Ų429.7 Ų29.73%0.02815%0.145CC..Hα-helixtrans-60.1-43.1178-173.60000112L650 Q651 F652 A657 V658L650-S654 PolarHBondContact O-N 3.16Å; Q651-S654 WeakPolarHBondContact O-CB 3.21Å; Q651-S654 PolarHBondContact O-N 2.96Å; F652-S654 VanDerWaalsContact C-N 3.34Å; F652-S654 PolarHBondContact O-N 2.79Å; S654-A657 WeakPolarHBondContact O-CB 3.5Å; S654-A657 PolarHBondContact O-N 3.01Å; S654-V658 PolarHBondContact O-N 2.85Å
655H93.3Very high94.6Very high69 Ų6929 Ų2932%0.31914%0.137SC..Hα-helixtrans-64.8-43.3175.7-69.889000112.2Q651 F652 I653 A657 V658 F744 H747Q651-H655 PolarHBondContact O-N 3.46Å; Q651-H655 VanDerWaalsContact O-N 3.08Å; Q651-H655 PolarHBondContact O-ND1 3.45Å; F652-H655 PolarHBondContact O-N 2.83Å; I653-H655 PolarHBondContact O-N 2.68Å; H655-A657 VanDerWaalsContact C-N 3.26Å; H655-A657 PolarHBondContact O-N 2.91Å; H655-V658 PolarHBondContact O-N 3.31Å; H655-F744 AromaticContact CD2-CE1 3.77Å; H655-H747 AromaticContact CE1-CE1 3.76Å; H655-H747 AromaticContact NE2-CE1 3.47Å; H655-H747 PolarHBondContact NE2-CE1 2.94Å; H655-H747 AromaticContact NE2-ND1 3.91Å
656M93.7Very high94.5Very high67 Ų6727.5 Ų27.533%0.3313%0.13SC..Hα-helixtrans-63.8-32175.1-71.2-63.495.900112.8F652 I653 I659 S660F652-M656 HydrophobicContact CD1-CG 4.48Å; F652-M656 HydrophobicContact CD2-CG 4.26Å; F652-M656 HydrophobicContact CE1-CG 3.97Å; F652-M656 HydrophobicContact CE2-CG 3.72Å; F652-M656 HydrophobicContact CE2-SD 4.19Å; F652-M656 HydrophobicContact CZ-CG 3.56Å; F652-M656 HydrophobicContact CZ-SD 4.18Å; F652-M656 WeakPolarHBondContact O-CG 3.15Å; F652-M656 PolarHBondContact O-N 3.24Å; I653-M656 PolarHBondContact O-N 2.03Å; M656-I659 HydrophobicContact CE-CD1 3.73Å; M656-I659 PolarHBondContact O-N 2.81Å; M656-S660 VanDerWaalsContact O-CB 3.27Å; M656-S660 WeakPolarHBondContact O-CB 3.06Å; M656-S660 PolarHBondContact O-N 3.32Å
657A95.3Very high94.2Very high2 Ų230 Ų302%0.01714%0.141CC..Hα-helixtrans-64.7-39.9177.800000112.7T600 I601 I653 S654 H655 I659 S660 N661T600-A657 WeakPolarHBondContact O-CB 3.47Å; I601-A657 HydrophobicContact CG1-CB 4.18Å; I653-A657 WeakPolarHBondContact O-CB 3.29Å; I653-A657 PolarHBondContact O-N 3.47Å; S654-A657 WeakPolarHBondContact O-CB 3.5Å; S654-A657 PolarHBondContact O-N 3.01Å; H655-A657 VanDerWaalsContact C-N 3.26Å; H655-A657 PolarHBondContact O-N 2.91Å; A657-I659 PolarHBondContact O-N 2.97Å; A657-S660 PolarHBondContact O-N 3.06Å; A657-N661 WeakPolarHBondContact O-CB 3.31Å; A657-N661 PolarHBondContact O-N 2.78Å; A657-N661 PolarHBondContact O-ND2 3.43Å
658V94.5Very high93.9Very high4 Ų429.8 Ų29.82%0.02414%0.142CC..Hα-helixtrans-58.8-49.6176179.70000110.6S654 H655 A662 F739 V743 F744S654-V658 PolarHBondContact O-N 2.85Å; H655-V658 PolarHBondContact O-N 3.31Å; V658-A662 WeakPolarHBondContact O-CB 3.06Å; V658-A662 PolarHBondContact O-N 2.88Å; V658-A662 VanDerWaalsContact O-N 3.14Å; V658-F739 HydrophobicContact CG1-CD1 4.49Å; V658-F739 HydrophobicContact CG1-CE1 4.32Å; V658-V743 HydrophobicContact CB-CG1 4.39Å; V658-V743 HydrophobicContact CG1-CB 3.85Å; V658-V743 HydrophobicContact CG1-CG1 3.77Å; V658-V743 HydrophobicContact CG2-CG1 3.67Å; V658-F744 HydrophobicContact CB-CE1 4Å; V658-F744 HydrophobicContact CB-CZ 4.11Å; V658-F744 HydrophobicContact CG1-CE1 4.14Å; V658-F744 HydrophobicContact CG1-CZ 4.15Å; V658-F744 HydrophobicContact CG2-CE1 3.98Å
659I94.3Very high93.6Very high47 Ų4724.6 Ų24.624%0.24112%0.118CC..Hα-helixtrans-64.2-51.3-179.5-60.7178.7000110M656 A657 N661 A662 F663 F744M656-I659 HydrophobicContact CE-CD1 3.73Å; M656-I659 PolarHBondContact O-N 2.81Å; A657-I659 PolarHBondContact O-N 2.97Å; I659-N661 PolarHBondContact O-N 2.75Å; I659-A662 WeakPolarHBondContact O-CB 3.34Å; I659-A662 PolarHBondContact O-N 2.89Å; I659-F663 HydrophobicContact CG2-CD2 3.74Å; I659-F663 HydrophobicContact CG2-CE2 3.71Å; I659-F663 VanDerWaalsContact O-CD2 3.3Å; I659-F663 WeakPolarHBondContact O-CD2 3.18Å; I659-F663 PolarHBondContact O-N 3.43Å; I659-F744 HydrophobicContact CG1-CZ 4.38Å
660S94.8Very high93.2Very high12 Ų1225 Ų258%0.08412%0.122CC..Hα-helixtrans-57.5-47.4-178.8179.40000112.4I601 M656 A657 A662 F663 L664I601-S660 VanDerWaalsContact CG2-OG 3.28Å; I601-S660 WeakPolarHBondContact CG2-OG 3.1Å; I601-S660 WeakPolarHBondContact O-CB 3.31Å; I601-S660 PolarHBondContact O-OG 2.65Å; M656-S660 VanDerWaalsContact O-CB 3.27Å; M656-S660 WeakPolarHBondContact O-CB 3.06Å; M656-S660 PolarHBondContact O-N 3.32Å; A657-S660 PolarHBondContact O-N 3.06Å; S660-A662 VanDerWaalsContact C-N 3.33Å; S660-A662 PolarHBondContact O-N 3.47Å; S660-F663 PolarHBondContact O-N 3.26Å; S660-L664 WeakPolarHBondContact O-CB 3.26Å; S660-L664 WeakPolarHBondContact O-CG 3.31Å; S660-L664 PolarHBondContact O-N 2.96Å
661N93.9Very high92.8Very high1 Ų127.3 Ų27.31%0.00513%0.132CC..Hα-helixtrans-64.2-37.6179.2-73-47.1000112.2T600 I601 V603 A604 A657 I659 L664 I665T600-N661 PolarHBondContact O-ND2 3.16Å; I601-N661 PolarHBondContact O-OD1 3.21Å; V603-N661 PolarHBondContact N-OD1 2.96Å; A604-N661 PolarHBondContact N-OD1 3Å; A657-N661 WeakPolarHBondContact O-CB 3.31Å; A657-N661 PolarHBondContact O-N 2.78Å; A657-N661 PolarHBondContact O-ND2 3.43Å; I659-N661 PolarHBondContact O-N 2.75Å; N661-L664 PolarHBondContact O-N 2.72Å; N661-I665 WeakPolarHBondContact O-CD1 3.5Å; N661-I665 VanDerWaalsContact O-CG1 3.27Å; N661-I665 WeakPolarHBondContact O-CG1 3.29Å; N661-I665 PolarHBondContact O-N 3.17Å
662A93.9Very high92.7Very high0 Ų025.1 Ų25.10%012%0.122CC..Hα-helixtrans-60-46.9174.100000111.5V658 I659 S660 A666 V736 F739V658-A662 WeakPolarHBondContact O-CB 3.06Å; V658-A662 PolarHBondContact O-N 2.88Å; V658-A662 VanDerWaalsContact O-N 3.14Å; I659-A662 WeakPolarHBondContact O-CB 3.34Å; I659-A662 PolarHBondContact O-N 2.89Å; S660-A662 VanDerWaalsContact C-N 3.33Å; S660-A662 PolarHBondContact O-N 3.47Å; A662-A666 VanDerWaalsContact O-CB 3.3Å; A662-A666 WeakPolarHBondContact O-CB 3.41Å; A662-A666 PolarHBondContact O-N 3.43Å; A662-V736 HydrophobicContact CB-CB 4.44Å; A662-V736 HydrophobicContact CB-CG1 4.03Å; A662-V736 HydrophobicContact CB-CG2 4.39Å; A662-F739 HydrophobicContact CB-CB 4.27Å; A662-F739 HydrophobicContact CB-CD1 3.56Å; A662-F739 HydrophobicContact CB-CE1 4.17Å; A662-F739 HydrophobicContact CB-CG 4.1Å
663F93.9Very high92.5Very high71 Ų7121.2 Ų21.231%0.31111%0.106SC..Hα-helixtrans-66.8-40.3177.3-83.4-83000112.6F490 I659 S660 I665 A666 F667 V736F490-F663 HydrophobicContact CD1-CB 4.2Å; F490-F663 HydrophobicContact CE1-CB 3.52Å; F490-F663 HydrophobicContact CZ-CB 4.26Å; I659-F663 HydrophobicContact CG2-CD2 3.74Å; I659-F663 HydrophobicContact CG2-CE2 3.71Å; I659-F663 VanDerWaalsContact O-CD2 3.3Å; I659-F663 WeakPolarHBondContact O-CD2 3.18Å; I659-F663 PolarHBondContact O-N 3.43Å; S660-F663 PolarHBondContact O-N 3.26Å; F663-I665 PolarHBondContact O-N 3.46Å; F663-A666 PolarHBondContact O-N 2.96Å; F663-F667 AromaticContact CD1-CD2 3.63Å; F663-F667 HydrophobicContact CD1-CD2 3.63Å; F663-F667 AromaticContact CD1-CE2 3.59Å; F663-F667 HydrophobicContact CD1-CE2 3.59Å; F663-F667 HydrophobicContact CE1-CD2 4.33Å; F663-F667 AromaticContact CE1-CE2 3.83Å; F663-F667 HydrophobicContact CE1-CE2 3.83Å; F663-F667 WeakPolarHBondContact O-CB 3.11Å; F663-F667 PolarHBondContact O-N 3.43Å; F663-V736 HydrophobicContact CD1-CG2 4.49Å; F663-V736 HydrophobicContact CD2-CG1 4.18Å; F663-V736 HydrophobicContact CE2-CG1 3.85Å; F663-V736 HydrophobicContact CZ-CG1 4.1Å
664L92.9Very high92.2Very high1 Ų122.7 Ų22.71%0.00511%0.111CC..Iπ-helixtrans-59.5-46.2176.8-77.7171.3000111.4A489 F490 L522 F602 A604 S660 N661 T668 S669A489-L664 HydrophobicContact CB-CD2 3.67Å; F490-L664 HydrophobicContact CE1-CD2 4.14Å; F490-L664 HydrophobicContact CE1-CG 4.1Å; F490-L664 HydrophobicContact CZ-CD2 4.28Å; F490-L664 HydrophobicContact CZ-CG 4.11Å; L522-L664 HydrophobicContact CD2-CD2 3.83Å; F602-L664 HydrophobicContact CD1-CD1 4.14Å; A604-L664 HydrophobicContact CB-CB 4.14Å; A604-L664 HydrophobicContact CB-CD1 4.26Å; S660-L664 WeakPolarHBondContact O-CB 3.26Å; S660-L664 WeakPolarHBondContact O-CG 3.31Å; S660-L664 PolarHBondContact O-N 2.96Å; N661-L664 PolarHBondContact O-N 2.72Å; L664-T668 CarbonylContact O-C 3.56Å; L664-T668 WeakPolarHBondContact O-CA 3.33Å; L664-T668 WeakPolarHBondContact O-CB 3.23Å; L664-T668 PolarHBondContact O-N 3.36Å; L664-S669 PolarHBondContact O-N 3Å
665I92.1Very high92Very high2 Ų226.8 Ų26.81%0.0113%0.133CC..Iπ-helixtrans-68.2-40.2178.9-64.4164.1000111V307 A604 N661 F663 S669 F671 F735 F739V307-I665 HydrophobicContact CG1-CD1 4.39Å; V307-I665 HydrophobicContact CG2-CD1 4.35Å; V307-I665 HydrophobicContact CG2-CG2 3.93Å; A604-I665 HydrophobicContact CB-CG1 4.13Å; N661-I665 WeakPolarHBondContact O-CD1 3.5Å; N661-I665 VanDerWaalsContact O-CG1 3.27Å; N661-I665 WeakPolarHBondContact O-CG1 3.29Å; N661-I665 PolarHBondContact O-N 3.17Å; F663-I665 PolarHBondContact O-N 3.46Å; I665-S669 WeakPolarHBondContact O-CB 3.4Å; I665-F671 HydrophobicContact CG2-CB 4.48Å; I665-F671 HydrophobicContact CG2-CD1 4.01Å; I665-F735 HydrophobicContact CB-CE1 3.91Å; I665-F735 HydrophobicContact CB-CZ 4.34Å; I665-F735 HydrophobicContact CG2-CE1 3.56Å; I665-F735 HydrophobicContact CG2-CZ 3.61Å; I665-F739 HydrophobicContact CD1-CE2 4.25Å
666A92.6Very high92Very high0 Ų025.1 Ų25.10%012%0.124CC..Iπ-helixtrans-72.3-45.5-177.300000113A662 F663 R732 F735 V736A662-A666 VanDerWaalsContact O-CB 3.3Å; A662-A666 WeakPolarHBondContact O-CB 3.41Å; A662-A666 PolarHBondContact O-N 3.43Å; F663-A666 PolarHBondContact O-N 2.96Å; A666-R732 HydrophobicContact CB-CB 4.26Å; A666-R732 WeakPolarHBondContact O-CD 3.08Å; A666-R732 WeakPolarHBondContact O-CG 3.47Å; A666-R732 PolarHBondContact O-NE 2.97Å; A666-F735 HydrophobicContact CB-CD1 4.11Å; A666-V736 HydrophobicContact CB-CG2 3.59Å
667F90.3Very high91.9Very high59 Ų5922.8 Ų22.826%0.25911%0.111SC..Iπ-helixtrans-104.9-37-168.4-71.3-81.7000114.3F663 L729 R732 L733 V736F663-F667 AromaticContact CD1-CD2 3.63Å; F663-F667 HydrophobicContact CD1-CD2 3.63Å; F663-F667 AromaticContact CD1-CE2 3.59Å; F663-F667 HydrophobicContact CD1-CE2 3.59Å; F663-F667 HydrophobicContact CE1-CD2 4.33Å; F663-F667 AromaticContact CE1-CE2 3.83Å; F663-F667 HydrophobicContact CE1-CE2 3.83Å; F663-F667 WeakPolarHBondContact O-CB 3.11Å; F663-F667 PolarHBondContact O-N 3.43Å; F667-L729 HydrophobicContact CE1-CD1 4Å; F667-L729 HydrophobicContact CZ-CD1 4.44Å; F667-R732 HydrophobicContact CE1-CB 4.46Å; F667-R732 HydrophobicContact CZ-CB 4.31Å; F667-L733 HydrophobicContact CE2-CD2 4.41Å; F667-L733 HydrophobicContact CZ-CD2 3.94Å; F667-L733 HydrophobicContact CZ-CG 4.49Å; F667-V736 HydrophobicContact CE2-CG2 4.43Å
668T89Confident91.8Very high23 Ų2329.1 Ų29.114%0.14114%0.135CC..Iπ-helixtrans-95.5-38-171.7-450000111.8A489 C518 L519 L664A489-T668 PolarHBondContact O-OG1 3.47Å; C518-T668 HydrophobicContact CB-CG2 4.27Å; L519-T668 HydrophobicContact CB-CG2 4.31Å; L664-T668 CarbonylContact O-C 3.56Å; L664-T668 WeakPolarHBondContact O-CA 3.33Å; L664-T668 WeakPolarHBondContact O-CB 3.23Å; L664-T668 PolarHBondContact O-N 3.36Å
669S88.9Confident91.6Very high4 Ų438.9 Ų38.93%0.02817%0.173CC..SBendtrans-74155.1174.7162.80000112.7D302 L664 I665 F671D302-S669 WeakPolarHBondContact OD1-CB 3.01Å; D302-S669 PolarHBondContact OD1-OG 2.86Å; L664-S669 PolarHBondContact O-N 3Å; I665-S669 WeakPolarHBondContact O-CB 3.4Å; S669-F671 VanDerWaalsContact C-N 3.32Å; S669-F671 VanDerWaalsContact OG-CB 3.25Å; S669-F671 WeakPolarHBondContact OG-CB 3.46Å; S669-F671 PolarHBondContact OG-N 2.81Å
670S86.9Confident91.5Very high14 Ų1439.9 Ų39.910%0.09818%0.181CC..SBendtrans-86.12172.269.50000113.9D302 P673 R674D302-S670 VanDerWaalsContact OD2-CB 3.32Å; D302-S670 WeakPolarHBondContact OD2-CB 3.39Å; D302-S670 PolarHBondContact OD2-N 3.36Å; D302-S670 PolarHBondContact OD2-OG 2.94Å; S670-P673 WeakPolarHBondContact O-CD 3.3Å; S670-R674 WeakPolarHBondContact O-CB 3.42Å; S670-R674 WeakPolarHBondContact O-CG 2.96Å; S670-R674 PolarHBondContact O-N 3.44Å; S670-R674 PolarHBondContact OG-NE 3.28Å; S670-R674 PolarHBondContact OG-NH2 2.86Å
671F89.7Confident91.2Very high48 Ų4846.7 Ų46.721%0.21121%0.205CC..Hα-helixtrans-58-57.2-177.4177.6-103.5000113.6W304 V307 I665 S669 R674 L675 F735W304-F671 HydrophobicContact CB-CE2 4.43Å; V307-F671 HydrophobicContact CG2-CD1 3.99Å; V307-F671 HydrophobicContact CG2-CD2 4.05Å; V307-F671 HydrophobicContact CG2-CE1 4.08Å; V307-F671 HydrophobicContact CG2-CE2 4.15Å; V307-F671 HydrophobicContact CG2-CG 3.98Å; V307-F671 HydrophobicContact CG2-CZ 4.16Å; I665-F671 HydrophobicContact CG2-CB 4.48Å; I665-F671 HydrophobicContact CG2-CD1 4.01Å; S669-F671 VanDerWaalsContact C-N 3.32Å; S669-F671 VanDerWaalsContact OG-CB 3.25Å; S669-F671 WeakPolarHBondContact OG-CB 3.46Å; S669-F671 PolarHBondContact OG-N 2.81Å; F671-R674 PolarHBondContact O-N 3.23Å; F671-L675 HydrophobicContact CE1-CD2 4.3Å; F671-L675 HydrophobicContact CZ-CD2 4.35Å; F671-L675 WeakPolarHBondContact O-CB 3.35Å; F671-L675 PolarHBondContact O-N 2.89Å; F671-F735 HydrophobicContact CE1-CE2 4.36Å
672V91.1Very high91Very high5 Ų548.6 Ų48.63%0.0322%0.215CC..Hα-helixtrans-61.5-45.5-177.7-179.80000112.4R674 L675 Y676 L728 I731 R732 F735V672-R674 PolarHBondContact O-N 3.37Å; V672-L675 PolarHBondContact O-N 3.35Å; V672-Y676 WeakPolarHBondContact O-CB 3.21Å; V672-Y676 PolarHBondContact O-N 3.21Å; V672-L728 HydrophobicContact CG1-CD1 4.14Å; V672-I731 HydrophobicContact CG1-CG2 3.78Å; V672-R732 HydrophobicContact CB-CG 4.34Å; V672-R732 HydrophobicContact CG1-CG 3.86Å; V672-F735 HydrophobicContact CG2-CG 4.39Å
673P90.5Very high90.7Very high12 Ų1252.6 Ų52.68%0.07824%0.243CC..Hα-helixtrans-57.7-43.2172.4-22.328.3000114.3S670 Y676 Y677 F688 L728S670-P673 WeakPolarHBondContact O-CD 3.3Å; P673-Y676 PolarHBondContact O-N 3.28Å; P673-Y677 PolarHBondContact O-N 3.29Å; P673-F688 HydrophobicContact CB-CE2 4.35Å; P673-F688 HydrophobicContact CB-CZ 4.28Å; P673-L728 HydrophobicContact CB-CD2 4.33Å; P673-L728 HydrophobicContact CG-CD2 4.17Å
674R90.1Very high90.5Very high31 Ų3152.9 Ų52.912%0.11725%0.251CS..Hα-helixtrans-64-42.9177.9-73.2173.9-170.7-123.73.3111.2D261 Y295 S670 F671 V672 Y677 R678 L685 F688D261-R674 IonicContact OD1-NH1 3.44Å; D261-R674 PolarHBondContact OD1-NH1 3.01Å; D261-R674 VanDerWaalsContact OD1-NH1 3.09Å; D261-R674 IonicContact OD2-CZ 2.76Å; D261-R674 IonicContact OD2-NH1 3.08Å; D261-R674 PolarHBondContact OD2-NH1 3.32Å; Y295-R674 PolarHBondContact OH-NH2 3.3Å; S670-R674 WeakPolarHBondContact O-CB 3.42Å; S670-R674 WeakPolarHBondContact O-CG 2.96Å; S670-R674 PolarHBondContact O-N 3.44Å; S670-R674 PolarHBondContact OG-NE 3.28Å; S670-R674 PolarHBondContact OG-NH2 2.86Å; F671-R674 PolarHBondContact O-N 3.23Å; V672-R674 PolarHBondContact O-N 3.37Å; R674-Y677 PolarHBondContact O-N 3.38Å; R674-R678 WeakPolarHBondContact O-CB 3.25Å; R674-R678 PolarHBondContact O-N 3.43Å; R674-L685 HydrophobicContact CB-CD2 4.39Å; R674-L685 WeakPolarHBondContact O-CD2 3.47Å; R674-F688 HydrophobicContact CB-CE2 4.41Å; R674-F688 HydrophobicContact CB-CZ 4.43Å; R674-F688 HydrophobicContact CG-CE1 3.9Å; R674-F688 HydrophobicContact CG-CE2 3.92Å; R674-F688 HydrophobicContact CG-CZ 3.51Å
675L91.2Very high90.3Very high91 Ų9153.1 Ų53.148%0.47625%0.252SS..Hα-helixtrans-63.2-43.8177.9-175.562.9000111.6F671 V672 R678 Y679F671-L675 HydrophobicContact CE1-CD2 4.3Å; F671-L675 HydrophobicContact CZ-CD2 4.35Å; F671-L675 WeakPolarHBondContact O-CB 3.35Å; F671-L675 PolarHBondContact O-N 2.89Å; V672-L675 PolarHBondContact O-N 3.35Å; L675-R678 PolarHBondContact O-N 3.03Å; L675-Y679 PolarHBondContact O-N 3.13Å; L675-Y679 VanDerWaalsContact O-N 3.14Å
676Y92.3Very high90.2Very high33 Ų3355.5 Ų55.513%0.12927%0.269CS..Hα-helixtrans-60.1-46.8175.7176.4-103000112V672 P673 Y679 T680 F691 L728 I731V672-Y676 WeakPolarHBondContact O-CB 3.21Å; V672-Y676 PolarHBondContact O-N 3.21Å; P673-Y676 PolarHBondContact O-N 3.28Å; Y676-Y679 PolarHBondContact O-N 2.98Å; Y676-T680 HydrophobicContact CD2-CG2 3.98Å; Y676-T680 HydrophobicContact CE2-CG2 3.68Å; Y676-T680 WeakPolarHBondContact O-CB 3.49Å; Y676-T680 WeakPolarHBondContact O-CG2 3.48Å; Y676-T680 PolarHBondContact O-N 3.39Å; Y676-T680 PolarHBondContact O-OG1 3.25Å; Y676-F691 HydrophobicContact CD1-CZ 4.32Å; Y676-F691 HydrophobicContact CE1-CZ 4.09Å; Y676-L728 HydrophobicContact CD1-CD1 4.32Å; Y676-L728 HydrophobicContact CG-CD1 4.05Å; Y676-I731 HydrophobicContact CD2-CD1 3.38Å; Y676-I731 HydrophobicContact CE2-CD1 3.75Å; Y676-I731 HydrophobicContact CG-CD1 4.39Å
677Y92.2Very high90.1Very high19 Ų1956.9 Ų56.98%0.07528%0.283CS..Hα-helixtrans-64.2-43.3179-171.5-94.7000112.1P673 R674 Y679 T680 R681 D682 L685 S686 F688 F691P673-Y677 PolarHBondContact O-N 3.29Å; R674-Y677 PolarHBondContact O-N 3.38Å; Y677-Y679 VanDerWaalsContact C-N 3.26Å; Y677-Y679 PolarHBondContact O-N 3.36Å; Y677-T680 PolarHBondContact O-N 2.91Å; Y677-R681 HydrophobicContact CD2-CB 3.95Å; Y677-R681 HydrophobicContact CD2-CG 4.01Å; Y677-R681 HydrophobicContact CE1-CB 4.28Å; Y677-R681 HydrophobicContact CE2-CB 3.66Å; Y677-R681 HydrophobicContact CE2-CG 3.81Å; Y677-R681 HydrophobicContact CG-CB 4.37Å; Y677-R681 PolarHBondContact O-N 2.91Å; Y677-D682 HydrophobicContact CE1-CB 4.23Å; Y677-D682 PolarHBondContact O-N 3.46Å; Y677-L685 HydrophobicContact CD1-CD2 4Å; Y677-S686 WeakPolarHBondContact CE1-O 3.31Å; Y677-S686 PolarHBondContact OH-O 2.79Å; Y677-F688 HydrophobicContact CD1-CB 4.21Å; Y677-F688 HydrophobicContact CD1-CD2 4.09Å; Y677-F688 HydrophobicContact CD2-CD2 4.38Å; Y677-F688 HydrophobicContact CE1-CB 4.23Å; Y677-F688 AromaticContact CG-CD2 3.83Å; Y677-F688 HydrophobicContact CG-CD2 3.83Å; Y677-F691 HydrophobicContact CD2-CB 3.92Å; Y677-F691 AromaticContact CD2-CD1 3.63Å; Y677-F691 HydrophobicContact CD2-CD1 3.63Å; Y677-F691 HydrophobicContact CD2-CD2 4.09Å; Y677-F691 HydrophobicContact CD2-CE1 4.16Å; Y677-F691 AromaticContact CD2-CG 3.59Å; Y677-F691 HydrophobicContact CD2-CG 3.59Å; Y677-F691 HydrophobicContact CE2-CB 3.6Å; Y677-F691 HydrophobicContact CE2-CD1 4.21Å; Y677-F691 HydrophobicContact CE2-CD2 4.1Å; Y677-F691 AromaticContact CE2-CG 3.7Å; Y677-F691 HydrophobicContact CE2-CG 3.7Å
678R92.3Very high90.1Very high134 Ų13454.4 Ų54.451%0.50627%0.272SS..Hα-helixtrans-57.1-38.7177.6-178.6173.4-79.1164.6-1.4112.8R674 L675 D682 S683 L685R674-R678 WeakPolarHBondContact O-CB 3.25Å; R674-R678 PolarHBondContact O-N 3.43Å; L675-R678 PolarHBondContact O-N 3.03Å; R678-D682 WeakPolarHBondContact CA-O 3.36Å; R678-S683 PolarHBondContact NE-O 3.41Å; R678-L685 HydrophobicContact CB-CD2 4Å
679Y91.8Very high90.1Very high210 Ų21053.4 Ų53.482%0.82427%0.266SS*.Hα-helixtrans-83.9-30.6-177.6-168.1-96.1000113.4L675 Y676 Y677L675-Y679 PolarHBondContact O-N 3.13Å; L675-Y679 VanDerWaalsContact O-N 3.14Å; Y676-Y679 PolarHBondContact O-N 2.98Å; Y677-Y679 VanDerWaalsContact C-N 3.26Å; Y677-Y679 PolarHBondContact O-N 3.36Å
680T90.5Very high90.2Very high68 Ų6857.2 Ų57.242%0.41729%0.286SS..Hα-helixtrans-100.9-31-170.655.80000115.1Y676 Y677Y676-T680 HydrophobicContact CD2-CG2 3.98Å; Y676-T680 HydrophobicContact CE2-CG2 3.68Å; Y676-T680 WeakPolarHBondContact O-CB 3.49Å; Y676-T680 WeakPolarHBondContact O-CG2 3.48Å; Y676-T680 PolarHBondContact O-N 3.39Å; Y676-T680 PolarHBondContact O-OG1 3.25Å; Y677-T680 PolarHBondContact O-N 2.91Å
681R88.9Confident90.3Very high154 Ų15458.2 Ų58.258%0.58129%0.288SS*.THydrogen-bonded Turntrans-116.9-65.3-172.2-71.6-78.6-177.6102.6-0.6111Y677 E724Y677-R681 HydrophobicContact CD2-CB 3.95Å; Y677-R681 HydrophobicContact CD2-CG 4.01Å; Y677-R681 HydrophobicContact CE1-CB 4.28Å; Y677-R681 HydrophobicContact CE2-CB 3.66Å; Y677-R681 HydrophobicContact CE2-CG 3.81Å; Y677-R681 HydrophobicContact CG-CB 4.37Å; Y677-R681 PolarHBondContact O-N 2.91Å; R681-E724 IonicContact NH2-OE1 3.04Å
682D89.9Confident90.2Very high41 Ų4157.3 Ų57.322%0.21929%0.287CS..  trans-149.7126.6-174.4-179.810.5000112.1Y677 R678 T684 L685 S686Y677-D682 HydrophobicContact CE1-CB 4.23Å; Y677-D682 PolarHBondContact O-N 3.46Å; R678-D682 WeakPolarHBondContact CA-O 3.36Å; D682-T684 PolarHBondContact O-N 3.29Å; D682-T684 PolarHBondContact OD1-N 2.96Å; D682-T684 PolarHBondContact OD1-OG1 2.93Å; D682-T684 PolarHBondContact OD2-OG1 3.04Å; D682-L685 PolarHBondContact O-N 3.3Å; D682-S686 WeakPolarHBondContact OD2-CB 3.47Å; D682-S686 PolarHBondContact OD2-N 3.09Å; D682-S686 PolarHBondContact OD2-OG 3.12Å
683S88.5Confident90.2Very high84 Ų8457.8 Ų57.859%0.58729%0.289SS*.THydrogen-bonded Turntrans-57.9-33177.367.10000113.9R678 L685R678-S683 PolarHBondContact NE-O 3.41Å; S683-L685 VanDerWaalsContact C-N 3.29Å; S683-L685 PolarHBondContact O-N 2.9Å
684T88.1Confident90.1Very high77 Ų7757.5 Ų57.547%0.47229%0.288SS..THydrogen-bonded Turntrans-82.8-4.7-17572.60000113.8D682 S686D682-T684 PolarHBondContact O-N 3.29Å; D682-T684 PolarHBondContact OD1-N 2.96Å; D682-T684 PolarHBondContact OD1-OG1 2.93Å; D682-T684 PolarHBondContact OD2-OG1 3.04Å; T684-S686 PolarHBondContact O-N 3.48Å
685L89.8Confident90.1Very high6 Ų658.2 Ų58.23%0.03130%0.296CS..  trans63.316.7-173.3-61.2169000114.3P263 R674 Y677 R678 D682 S683 G687 F688P263-L685 HydrophobicContact CG-CB 4.01Å; P263-L685 HydrophobicContact CG-CD1 4.28Å; R674-L685 HydrophobicContact CB-CD2 4.39Å; R674-L685 WeakPolarHBondContact O-CD2 3.47Å; Y677-L685 HydrophobicContact CD1-CD2 4Å; R678-L685 HydrophobicContact CB-CD2 4Å; D682-L685 PolarHBondContact O-N 3.3Å; S683-L685 VanDerWaalsContact C-N 3.29Å; S683-L685 PolarHBondContact O-N 2.9Å; L685-G687 PolarHBondContact O-N 3.18Å; L685-F688 VanDerWaalsContact O-CB 3.26Å; L685-F688 WeakPolarHBondContact O-CB 3.38Å; L685-F688 PolarHBondContact O-N 2.58Å
686S90.7Very high90Very high53 Ų5354 Ų5437%0.37127%0.274SS..THydrogen-bonded Turntrans-66.2134.8176.278.90000111E266 Y677 D682 T684 F688E266-S686 VanDerWaalsContact OE1-CA 3.32Å; E266-S686 WeakPolarHBondContact OE1-CA 3.41Å; Y677-S686 WeakPolarHBondContact CE1-O 3.31Å; Y677-S686 PolarHBondContact OH-O 2.79Å; D682-S686 WeakPolarHBondContact OD2-CB 3.47Å; D682-S686 PolarHBondContact OD2-N 3.09Å; D682-S686 PolarHBondContact OD2-OG 3.12Å; T684-S686 PolarHBondContact O-N 3.48Å; S686-F688 VanDerWaalsContact C-N 3.3Å; S686-F688 PolarHBondContact O-N 3.07Å
687G89.8Confident89.9Confident28 Ų2852.6 Ų52.629%0.28927%0.269SS..THydrogen-bonded Turntrans76.310.3-176.100000115E266 L685 V689 N690 F691E266-G687 PolarHBondContact OE1-N 3.37Å; L685-G687 PolarHBondContact O-N 3.18Å; G687-V689 VanDerWaalsContact C-N 3.31Å; G687-V689 PolarHBondContact O-N 2.85Å; G687-N690 PolarHBondContact O-N 3.29Å; G687-F691 PolarHBondContact O-N 2.85Å; G687-F691 VanDerWaalsContact O-N 3.08Å
688F90.9Very high89.5Confident8 Ų856.3 Ų56.34%0.03529%0.287CS..Hα-helixtrans-59.8-40.7179.4175-103.1000112.3P263 P673 R674 Y677 L685 S686 N690 F691 T692P263-F688 HydrophobicContact CB-CD1 4.05Å; P263-F688 HydrophobicContact CG-CB 4.17Å; P263-F688 HydrophobicContact CG-CD1 4.01Å; P263-F688 HydrophobicContact CG-CG 4.37Å; P673-F688 HydrophobicContact CB-CE2 4.35Å; P673-F688 HydrophobicContact CB-CZ 4.28Å; R674-F688 HydrophobicContact CB-CE2 4.41Å; R674-F688 HydrophobicContact CB-CZ 4.43Å; R674-F688 HydrophobicContact CG-CE1 3.9Å; R674-F688 HydrophobicContact CG-CE2 3.92Å; R674-F688 HydrophobicContact CG-CZ 3.51Å; Y677-F688 HydrophobicContact CD1-CB 4.21Å; Y677-F688 HydrophobicContact CD1-CD2 4.09Å; Y677-F688 HydrophobicContact CD2-CD2 4.38Å; Y677-F688 HydrophobicContact CE1-CB 4.23Å; Y677-F688 AromaticContact CG-CD2 3.83Å; Y677-F688 HydrophobicContact CG-CD2 3.83Å; L685-F688 VanDerWaalsContact O-CB 3.26Å; L685-F688 WeakPolarHBondContact O-CB 3.38Å; L685-F688 PolarHBondContact O-N 2.58Å; S686-F688 VanDerWaalsContact C-N 3.3Å; S686-F688 PolarHBondContact O-N 3.07Å; F688-N690 VanDerWaalsContact C-N 3.32Å; F688-N690 PolarHBondContact O-N 3.36Å; F688-F691 WeakPolarHBondContact O-CB 3.34Å; F688-F691 PolarHBondContact O-N 3.26Å; F688-T692 HydrophobicContact CD1-CG2 4.34Å; F688-T692 HydrophobicContact CD2-CG2 4.3Å; F688-T692 HydrophobicContact CE1-CG2 3.85Å; F688-T692 HydrophobicContact CE2-CG2 3.81Å; F688-T692 HydrophobicContact CZ-CG2 3.56Å; F688-T692 WeakPolarHBondContact O-CG2 3.36Å; F688-T692 PolarHBondContact O-N 2.96Å; F688-T692 VanDerWaalsContact O-N 3.11Å
689V88.9Confident89.1Confident1 Ų153.6 Ų53.61%0.00629%0.289CS..Hα-helixtrans-60.6-46.1179.8176.80000110.1P263 E266 V267 F274 Y288 G687 F691 T692 L693P263-V689 HydrophobicContact CB-CG2 4.37Å; E266-V689 HydrophobicContact CB-CG2 4.04Å; V267-V689 HydrophobicContact CG2-CG2 3.84Å; F274-V689 HydrophobicContact CD2-CG1 4.27Å; F274-V689 HydrophobicContact CE2-CG1 4.01Å; F274-V689 HydrophobicContact CZ-CG1 4.34Å; Y288-V689 HydrophobicContact CD1-CG1 4.1Å; Y288-V689 HydrophobicContact CE1-CG1 3.63Å; G687-V689 VanDerWaalsContact C-N 3.31Å; G687-V689 PolarHBondContact O-N 2.85Å; V689-F691 VanDerWaalsContact C-N 3.32Å; V689-F691 PolarHBondContact O-N 3.47Å; V689-T692 PolarHBondContact O-N 2.73Å; V689-T692 PolarHBondContact O-OG1 3.1Å; V689-L693 HydrophobicContact CG1-CD1 3.7Å; V689-L693 WeakPolarHBondContact O-CG 3.49Å; V689-L693 PolarHBondContact O-N 3.14Å
690N89.6Confident88.7Confident84 Ų8444.4 Ų44.445%0.44925%0.253SS..Hα-helixtrans-60.6-39.4176.7-168.918.5000112.1F274 G687 F688 T692 L693 R710F274-N690 HydrophobicContact CE1-CB 4.44Å; F274-N690 HydrophobicContact CZ-CB 4.33Å; G687-N690 PolarHBondContact O-N 3.29Å; F688-N690 VanDerWaalsContact C-N 3.32Å; F688-N690 PolarHBondContact O-N 3.36Å; N690-T692 VanDerWaalsContact C-N 3.34Å; N690-T692 PolarHBondContact O-N 3.46Å; N690-L693 PolarHBondContact O-N 3.2Å; N690-R710 PolarHBondContact OD1-NH1 2.97Å
691F89.1Confident88.3Confident35 Ų3542 Ų4215%0.15424%0.237CC..Hα-helixtrans-64.1-34.2176.3172.7-100.3000113.7Y676 Y677 G687 F688 V689 M714 E724Y676-F691 HydrophobicContact CD1-CZ 4.32Å; Y676-F691 HydrophobicContact CE1-CZ 4.09Å; Y677-F691 HydrophobicContact CD2-CB 3.92Å; Y677-F691 AromaticContact CD2-CD1 3.63Å; Y677-F691 HydrophobicContact CD2-CD1 3.63Å; Y677-F691 HydrophobicContact CD2-CD2 4.09Å; Y677-F691 HydrophobicContact CD2-CE1 4.16Å; Y677-F691 AromaticContact CD2-CG 3.59Å; Y677-F691 HydrophobicContact CD2-CG 3.59Å; Y677-F691 HydrophobicContact CE2-CB 3.6Å; Y677-F691 HydrophobicContact CE2-CD1 4.21Å; Y677-F691 HydrophobicContact CE2-CD2 4.1Å; Y677-F691 AromaticContact CE2-CG 3.7Å; Y677-F691 HydrophobicContact CE2-CG 3.7Å; G687-F691 PolarHBondContact O-N 2.85Å; G687-F691 VanDerWaalsContact O-N 3.08Å; F688-F691 WeakPolarHBondContact O-CB 3.34Å; F688-F691 PolarHBondContact O-N 3.26Å; V689-F691 VanDerWaalsContact C-N 3.32Å; V689-F691 PolarHBondContact O-N 3.47Å; F691-M714 HydrophobicContact CZ-SD 4.43Å; F691-E724 HydrophobicContact CE2-CG 4.41Å
692T89Confident87.9Confident29 Ų2941.3 Ų41.318%0.17824%0.24CC..Hα-helixtrans-83.1-13.6-177.761.30000114.9F688 V689 N690 G713F688-T692 HydrophobicContact CD1-CG2 4.34Å; F688-T692 HydrophobicContact CD2-CG2 4.3Å; F688-T692 HydrophobicContact CE1-CG2 3.85Å; F688-T692 HydrophobicContact CE2-CG2 3.81Å; F688-T692 HydrophobicContact CZ-CG2 3.56Å; F688-T692 WeakPolarHBondContact O-CG2 3.36Å; F688-T692 PolarHBondContact O-N 2.96Å; F688-T692 VanDerWaalsContact O-N 3.11Å; V689-T692 PolarHBondContact O-N 2.73Å; V689-T692 PolarHBondContact O-OG1 3.1Å; N690-T692 VanDerWaalsContact C-N 3.34Å; N690-T692 PolarHBondContact O-N 3.46Å; T692-G713 PolarHBondContact O-N 2.85Å
693L89.6Confident87.4Confident15 Ų1546.3 Ų46.38%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-104.5124.9-175.3-67.2169.8000110.5F274 M276 V689 N690 R710F274-L693 HydrophobicContact CD1-CD1 4.05Å; F274-L693 HydrophobicContact CE1-CD1 4.43Å; F274-L693 HydrophobicContact CG-CD1 4.3Å; M276-L693 HydrophobicContact CE-CD1 3.59Å; M276-L693 HydrophobicContact CE-CD2 3.75Å; M276-L693 HydrophobicContact CE-CG 4.26Å; M276-L693 HydrophobicContact SD-CD2 3.85Å; V689-L693 HydrophobicContact CG1-CD1 3.7Å; V689-L693 WeakPolarHBondContact O-CG 3.49Å; V689-L693 PolarHBondContact O-N 3.14Å; N690-L693 PolarHBondContact O-N 3.2Å; L693-R710 HydrophobicContact CB-CB 4.47Å
694A90.1Very high87Confident7 Ų745.8 Ų45.86%0.05825%0.251CS..EExtended strand (participates in β ladder)trans-93.9148.5171.400000111R710 Y711 G713 R715A694-R710 CarbonylContact O-C 3.59Å; A694-R710 VanDerWaalsContact O-CA 3.27Å; A694-R710 WeakPolarHBondContact O-CA 3.5Å; A694-Y711 HydrophobicContact CB-CD1 4.4Å; A694-Y711 HydrophobicContact CB-CE1 3.85Å; A694-Y711 HydrophobicContact CB-CE2 4.36Å; A694-Y711 PolarHBondContact N-O 2.73Å; A694-Y711 WeakPolarHBondContact O-CD1 3.32Å; A694-Y711 PolarHBondContact O-N 2.95Å; A694-G713 VanDerWaalsContact CB-O 3.27Å; A694-G713 WeakPolarHBondContact CB-O 3.46Å; A694-G713 PolarHBondContact N-O 2.87Å; A694-R715 WeakPolarHBondContact CB-O 3.27Å
695T89.6Confident86.6Confident46 Ų4650.9 Ų50.928%0.28227%0.268SS..EExtended strand (participates in β ladder)trans-79.2140.7171.6-51.60000109.9Y711T695-Y711 WeakPolarHBondContact O-CE1 3.43Å
696A89.5Confident86.1Confident2 Ų256.1 Ų56.12%0.01730%0.297CS..PPolyproline II helixtrans-61.2146.3175.700000111.6P499 Y700 M701 C709P499-A696 HydrophobicContact CB-CB 4.28Å; P499-A696 HydrophobicContact CG-CB 4.47Å; A696-Y700 HydrophobicContact CB-CD1 3.98Å; A696-M701 HydrophobicContact CB-CG 4.5Å; A696-C709 VanDerWaalsContact CB-O 3.28Å; A696-C709 WeakPolarHBondContact CB-O 3.45Å; A696-C709 PolarHBondContact N-O 3.1Å
697P89.3Confident85.5Confident4 Ų456.7 Ų56.73%0.02630%0.298CS..PPolyproline II helixtrans-61.5148.5177.9-20.731.1000113Y498 P499 S699 Y700 M701 E717Y498-P697 HydrophobicContact CD2-CG 3.73Å; Y498-P697 HydrophobicContact CE2-CG 3.78Å; P499-P697 WeakPolarHBondContact O-CD 3.21Å; P697-S699 PolarHBondContact O-N 3.4Å; P697-S699 VanDerWaalsContact O-N 3.16Å; P697-Y700 WeakPolarHBondContact O-CB 3.43Å; P697-Y700 PolarHBondContact O-N 3.14Å; P697-M701 PolarHBondContact O-N 2.99Å; P697-M701 VanDerWaalsContact O-N 3.15Å; P697-E717 VanDerWaalsContact CA-O 3.23Å; P697-E717 WeakPolarHBondContact CA-O 3.43Å; P697-E717 WeakPolarHBondContact CB-O 3.42Å
698Q84.4Confident85.3Confident96 Ų9658.7 Ų58.745%0.44931%0.307SS..Hα-helixtrans-54.6-36.1178.7-71.8-70.9-19.200112.9Y700 M701 Q702Q698-Y700 VanDerWaalsContact C-N 3.32Å; Q698-Y700 PolarHBondContact O-N 3.47Å; Q698-M701 PolarHBondContact O-N 2.97Å; Q698-Q702 WeakPolarHBondContact O-CG 3.21Å; Q698-Q702 PolarHBondContact O-N 3.29Å
699S83.7Confident85.2Confident77 Ų7758.4 Ų58.454%0.53831%0.306SS..Hα-helixtrans-60.7-38.9176.253.40000113P697 Q703P697-S699 PolarHBondContact O-N 3.4Å; P697-S699 VanDerWaalsContact O-N 3.16Å; S699-Q703 PolarHBondContact O-N 3.19Å
700Y83.4Confident85.2Confident17 Ų1761.4 Ų61.47%0.06732%0.318CS..Hα-helixtrans-71.6-39.5176.8-177.4-97.9000111.4P499 A696 P697 Q698 Q703 H704P499-Y700 HydrophobicContact CB-CD1 3.81Å; P499-Y700 HydrophobicContact CB-CD2 3.96Å; P499-Y700 HydrophobicContact CB-CE1 4.03Å; P499-Y700 HydrophobicContact CB-CE2 4.19Å; P499-Y700 HydrophobicContact CB-CG 3.78Å; A696-Y700 HydrophobicContact CB-CD1 3.98Å; P697-Y700 WeakPolarHBondContact O-CB 3.43Å; P697-Y700 PolarHBondContact O-N 3.14Å; Q698-Y700 VanDerWaalsContact C-N 3.32Å; Q698-Y700 PolarHBondContact O-N 3.47Å; Y700-Q703 PolarHBondContact O-N 3.34Å; Y700-H704 AromaticContact CD2-CE1 3.72Å; Y700-H704 AromaticContact CD2-ND1 3.86Å; Y700-H704 AromaticContact CE2-CE1 3.18Å; Y700-H704 WeakPolarHBondContact CE2-CE1 3.32Å; Y700-H704 AromaticContact CE2-ND1 3.62Å; Y700-H704 AromaticContact CE2-NE2 3.77Å; Y700-H704 AromaticContact CZ-CE1 3.52Å; Y700-H704 AromaticContact CZ-ND1 3.71Å; Y700-H704 AromaticContact CZ-NE2 3.78Å; Y700-H704 PolarHBondContact O-N 3.18Å; Y700-H704 PolarHBondContact O-ND1 3.45Å
701M81.5Confident85.1Confident19 Ų1958.5 Ų58.59%0.09430%0.301CS..Hα-helixtrans-63.4-44.5178-67.8179.153.800112.1A696 P697 Q698 Q703 H704 N706A696-M701 HydrophobicContact CB-CG 4.5Å; P697-M701 PolarHBondContact O-N 2.99Å; P697-M701 VanDerWaalsContact O-N 3.15Å; Q698-M701 PolarHBondContact O-N 2.97Å; M701-Q703 VanDerWaalsContact C-N 3.25Å; M701-Q703 PolarHBondContact O-N 2.97Å; M701-H704 CarbonylContact O-C 3.48Å; M701-H704 PolarHBondContact O-N 3.39Å; M701-H704 VanDerWaalsContact O-N 3.08Å; M701-N706 WeakPolarHBondContact O-CA 3.42Å; M701-N706 PolarHBondContact O-N 2.97Å
702Q80.4Confident84.9Confident138 Ų13865 Ų6565%0.64532%0.324SS*.Hα-helixtrans-61-36177.5-73.1173-0.200112.1Q698 H704Q698-Q702 WeakPolarHBondContact O-CG 3.21Å; Q698-Q702 PolarHBondContact O-N 3.29Å; Q702-H704 VanDerWaalsContact C-N 3.3Å; Q702-H704 PolarHBondContact O-N 3.18Å
703Q80.3Confident84.8Confident147 Ų14764.6 Ų64.669%0.68733%0.326SS*.Hα-helixtrans-72.3-22.2177.6-167.5176.55.500113.2S699 Y700 M701S699-Q703 PolarHBondContact O-N 3.19Å; Y700-Q703 PolarHBondContact O-N 3.34Å; M701-Q703 VanDerWaalsContact C-N 3.25Å; M701-Q703 PolarHBondContact O-N 2.97Å
704H79.2Confident84.6Confident73 Ų7365.4 Ų65.434%0.33833%0.33SS..THydrogen-bonded Turntrans-119.352.1-175.4-63.175.7000111.8Y700 M701 Q702 N706 V707Y700-H704 AromaticContact CD2-CE1 3.72Å; Y700-H704 AromaticContact CD2-ND1 3.86Å; Y700-H704 AromaticContact CE2-CE1 3.18Å; Y700-H704 WeakPolarHBondContact CE2-CE1 3.32Å; Y700-H704 AromaticContact CE2-ND1 3.62Å; Y700-H704 AromaticContact CE2-NE2 3.77Å; Y700-H704 AromaticContact CZ-CE1 3.52Å; Y700-H704 AromaticContact CZ-ND1 3.71Å; Y700-H704 AromaticContact CZ-NE2 3.78Å; Y700-H704 PolarHBondContact O-N 3.18Å; Y700-H704 PolarHBondContact O-ND1 3.45Å; M701-H704 CarbonylContact O-C 3.48Å; M701-H704 PolarHBondContact O-N 3.39Å; M701-H704 VanDerWaalsContact O-N 3.08Å; Q702-H704 VanDerWaalsContact C-N 3.3Å; Q702-H704 PolarHBondContact O-N 3.18Å; H704-N706 VanDerWaalsContact C-N 3.28Å; H704-N706 PolarHBondContact O-N 3.43Å; H704-V707 PolarHBondContact O-N 3.45Å
705H79.8Confident84.6Confident183 Ų18367.3 Ų67.385%0.84734%0.335SS*.THydrogen-bonded Turntrans54.336.3173.4-59.2-76000115V707H705-V707 PolarHBondContact O-N 3.04Å; H705-V707 VanDerWaalsContact O-N 3.14Å
706N78.7Confident84.5Confident116 Ų11668.9 Ų68.962%0.6234%0.342SS*.THydrogen-bonded Turntrans57.722.4-179.8-70.2-14.1000115.1M701 H704 S708M701-N706 WeakPolarHBondContact O-CA 3.42Å; M701-N706 PolarHBondContact O-N 2.97Å; H704-N706 VanDerWaalsContact C-N 3.28Å; H704-N706 PolarHBondContact O-N 3.43Å; N706-S708 PolarHBondContact O-N 2.89Å
707V78.9Confident84.3Confident65 Ų6574 Ų7439%0.39437%0.366SS..  trans-74.5112.4173.8-179.10000109.1T285 H704 H705 C709T285-V707 HydrophobicContact CG2-CG1 4.25Å; H704-V707 PolarHBondContact O-N 3.45Å; H705-V707 PolarHBondContact O-N 3.04Å; H705-V707 VanDerWaalsContact O-N 3.14Å; V707-C709 PolarHBondContact O-N 2.56Å
708S84.8Confident83.9Confident70 Ų7081.7 Ų81.749%0.4940%0.399SS..  trans-73.7119.1172.960.40000110N706N706-S708 PolarHBondContact O-N 2.89Å
709C88.5Confident83.8Confident3 Ų377.3 Ų77.32%0.0238%0.379CS..  trans-124.7154.4175.371.30000110.9I275 C277 A696 V707I275-C709 CarbonylContact O-C 3.39Å; I275-C709 WeakPolarHBondContact O-CA 3.19Å; C277-C709 WeakPolarHBondContact CA-SG 3.42Å; C277-C709 HydrophobicContact CB-CB 3.94Å; C277-C709 WeakPolarHBondContact CB-SG 3.43Å; C277-C709 WeakPolarHBondContact SG-CB 3.18Å; C277-C709 CovalentContact SG-SG 2.05Å; C277-C709 PolarHBondContact SG-SG 3.06Å; A696-C709 VanDerWaalsContact CB-O 3.28Å; A696-C709 WeakPolarHBondContact CB-O 3.45Å; A696-C709 PolarHBondContact N-O 3.1Å; V707-C709 PolarHBondContact O-N 2.56Å
710R89.5Confident84Confident63 Ų6380.2 Ų80.224%0.23839%0.385CS..EExtended strand (participates in β ladder)trans-108.9155.6177.4-63.2-164.8-178.3-149.55.4111.5I275 M276 C277 N690 L693 A694I275-R710 PolarHBondContact O-N 3.39Å; M276-R710 CarbonylContact C-O 3.59Å; M276-R710 WeakPolarHBondContact CA-O 3.25Å; M276-R710 HydrophobicContact CE-CB 3.68Å; M276-R710 HydrophobicContact SD-CB 4.26Å; C277-R710 PolarHBondContact N-O 2.76Å; C277-R710 PolarHBondContact SG-O 3.27Å; C277-R710 VanDerWaalsContact SG-O 3.37Å; N690-R710 PolarHBondContact OD1-NH1 2.97Å; L693-R710 HydrophobicContact CB-CB 4.47Å; A694-R710 CarbonylContact O-C 3.59Å; A694-R710 VanDerWaalsContact O-CA 3.27Å; A694-R710 WeakPolarHBondContact O-CA 3.5Å
711Y87.8Confident84.4Confident24 Ų2484.1 Ų84.19%0.09440%0.4CS..EExtended strand (participates in β ladder)trans-143.6157.4175.569.3-77.9000110.6P499 A694 T695 G713 R715P499-Y711 HydrophobicContact CG-CD1 3.66Å; P499-Y711 HydrophobicContact CG-CD2 4.44Å; P499-Y711 HydrophobicContact CG-CE1 4.1Å; P499-Y711 HydrophobicContact CG-CG 3.86Å; A694-Y711 HydrophobicContact CB-CD1 4.4Å; A694-Y711 HydrophobicContact CB-CE1 3.85Å; A694-Y711 HydrophobicContact CB-CE2 4.36Å; A694-Y711 PolarHBondContact N-O 2.73Å; A694-Y711 WeakPolarHBondContact O-CD1 3.32Å; A694-Y711 PolarHBondContact O-N 2.95Å; T695-Y711 WeakPolarHBondContact O-CE1 3.43Å; Y711-G713 PolarHBondContact O-N 3.38Å; Y711-R715 WeakPolarHBondContact OH-CB 3.14Å; Y711-R715 WeakPolarHBondContact OH-CD 3.49Å
712R85.8Confident84.8Confident170 Ų17085.9 Ų85.964%0.64241%0.409SS*.EExtended strand (participates in β ladder)trans-72.8116.2178.8-170171.7178.9161.3-2.6109.9
713G85.1Confident85.3Confident22 Ų2283.4 Ų83.423%0.22741%0.405CS..SBendtrans170.1156.4-176.600000111.2T692 A694 Y711T692-G713 PolarHBondContact O-N 2.85Å; A694-G713 VanDerWaalsContact CB-O 3.27Å; A694-G713 WeakPolarHBondContact CB-O 3.46Å; A694-G713 PolarHBondContact N-O 2.87Å; Y711-G713 PolarHBondContact O-N 3.38Å
714M86.6Confident85.7Confident31 Ų3178.2 Ų78.215%0.15338%0.381CS..  trans-111.677.5173.5-68.9-178.5-77.400108.2F691 L722 F725 L728F691-M714 HydrophobicContact CZ-SD 4.43Å; M714-L722 PolarHBondContact O-N 3.19Å; M714-F725 HydrophobicContact CB-CB 4.08Å; M714-F725 HydrophobicContact CB-CD2 4.38Å; M714-F725 HydrophobicContact CE-CB 4.33Å; M714-F725 HydrophobicContact CE-CD2 3.92Å; M714-L728 HydrophobicContact CE-CB 4.23Å; M714-L728 HydrophobicContact CE-CD2 3.34Å; M714-L728 HydrophobicContact CE-CG 4.41Å; M714-L728 HydrophobicContact SD-CD2 4.2Å
715R89.7Confident86.3Confident47 Ų4775.8 Ų75.818%0.17737%0.37CS..BIsolated β-bridgetrans-134.4151.4-178.7-71.1177.9179.1-115.36.7109.7A694 Y711 G719 E720 Y721 L722A694-R715 WeakPolarHBondContact CB-O 3.27Å; Y711-R715 WeakPolarHBondContact OH-CB 3.14Å; Y711-R715 WeakPolarHBondContact OH-CD 3.49Å; R715-G719 WeakPolarHBondContact CD-O 3.43Å; R715-G719 PolarHBondContact NH1-O 3.48Å; R715-E720 CarbonylContact C-O 3.59Å; R715-E720 WeakPolarHBondContact CA-O 3.48Å; R715-E720 WeakPolarHBondContact CB-O 3.22Å; R715-Y721 HydrophobicContact CG-CD1 3.96Å; R715-Y721 HydrophobicContact CG-CE1 4.21Å; R715-Y721 PolarHBondContact NH2-OH 2.96Å; R715-L722 VanDerWaalsContact C-CD1 3.48Å
716D87.4Confident86.9Confident80 Ų8073.2 Ų73.243%0.42835%0.353SS..  trans-79.2173176.3-161.611.3000111.1K718 G719 E720 L722D716-K718 PolarHBondContact O-N 3.04Å; D716-K718 VanDerWaalsContact O-N 3.1Å; D716-G719 WeakPolarHBondContact O-CA 3.46Å; D716-G719 PolarHBondContact O-N 3.29Å; D716-E720 PolarHBondContact N-O 3.11Å; D716-L722 HydrophobicContact CB-CD1 3.69Å; D716-L722 VanDerWaalsContact N-CD1 3.27Å
717E84.9Confident87.6Confident109 Ų10973.2 Ų73.251%0.50935%0.348SS..THydrogen-bonded Turntrans-60.6-20.4178.5-62-172.1172.500113.4P697 G719P697-E717 VanDerWaalsContact CA-O 3.23Å; P697-E717 WeakPolarHBondContact CA-O 3.43Å; P697-E717 WeakPolarHBondContact CB-O 3.42Å; E717-G719 VanDerWaalsContact C-N 3.35Å
718K82.5Confident88.2Confident165 Ų16570.2 Ų70.272%0.71733%0.33SS*.THydrogen-bonded Turntrans-84.5-8.2173.7-62.9179.4-176.3173.80113.6D716D716-K718 PolarHBondContact O-N 3.04Å; D716-K718 VanDerWaalsContact O-N 3.1Å
719G82Confident88.5Confident4 Ų469.2 Ų69.24%0.04132%0.318CS..SBendtrans87.23.5-176.300000114.8R715 D716 E717R715-G719 WeakPolarHBondContact CD-O 3.43Å; R715-G719 PolarHBondContact NH1-O 3.48Å; D716-G719 WeakPolarHBondContact O-CA 3.46Å; D716-G719 PolarHBondContact O-N 3.29Å; E717-G719 VanDerWaalsContact C-N 3.35Å
720E88.3Confident88.9Confident139 Ų13973.3 Ų73.365%0.6534%0.343SS*.PPolyproline II helixtrans-78.9152175.1-64.9-174.116900111.8R715 D716R715-E720 CarbonylContact C-O 3.59Å; R715-E720 WeakPolarHBondContact CA-O 3.48Å; R715-E720 WeakPolarHBondContact CB-O 3.22Å; D716-E720 PolarHBondContact N-O 3.11Å
721Y90Very high89.1Confident98 Ų9873.6 Ų73.638%0.38435%0.349SS..BIsolated β-bridgetrans-72.4132.9179.6-77-71.9000111.7R715 F725R715-Y721 HydrophobicContact CG-CD1 3.96Å; R715-Y721 HydrophobicContact CG-CE1 4.21Å; R715-Y721 PolarHBondContact NH2-OH 2.96Å; Y721-F725 HydrophobicContact CD1-CB 4.13Å; Y721-F725 AromaticContact CD1-CD1 3.66Å; Y721-F725 HydrophobicContact CD1-CD1 3.66Å; Y721-F725 AromaticContact CD1-CD2 3.71Å; Y721-F725 HydrophobicContact CD1-CD2 3.71Å; Y721-F725 AromaticContact CD1-CE1 3.93Å; Y721-F725 HydrophobicContact CD1-CE1 3.93Å; Y721-F725 AromaticContact CD1-CE2 3.98Å; Y721-F725 HydrophobicContact CD1-CE2 3.98Å; Y721-F725 AromaticContact CD1-CG 3.55Å; Y721-F725 HydrophobicContact CD1-CG 3.55Å; Y721-F725 HydrophobicContact CD1-CZ 4.09Å; Y721-F725 HydrophobicContact CE1-CD1 4.11Å; Y721-F725 AromaticContact CE1-CD2 3.81Å; Y721-F725 HydrophobicContact CE1-CD2 3.81Å; Y721-F725 AromaticContact CE1-CE1 3.92Å; Y721-F725 HydrophobicContact CE1-CE1 3.92Å; Y721-F725 AromaticContact CE1-CE2 3.6Å; Y721-F725 HydrophobicContact CE1-CE2 3.6Å; Y721-F725 HydrophobicContact CE1-CG 4.07Å; Y721-F725 AromaticContact CE1-CZ 3.66Å; Y721-F725 HydrophobicContact CE1-CZ 3.66Å; Y721-F725 HydrophobicContact CG-CD1 4.02Å; Y721-F725 HydrophobicContact CG-CE1 4.34Å; Y721-F725 HydrophobicContact CG-CG 4.26Å
722L91.3Very high89.4Confident57 Ų5773.6 Ų73.630%0.29835%0.349SS..PPolyproline II helixtrans-67.6149.3173.2-106.272.8000111.2M714 R715 D716 E724 F725M714-L722 PolarHBondContact O-N 3.19Å; R715-L722 VanDerWaalsContact C-CD1 3.48Å; D716-L722 HydrophobicContact CB-CD1 3.69Å; D716-L722 VanDerWaalsContact N-CD1 3.27Å; L722-E724 HydrophobicContact CB-CB 4.5Å; L722-E724 WeakPolarHBondContact CB-OE2 3.42Å; L722-E724 WeakPolarHBondContact CD2-OE2 3.3Å; L722-E724 PolarHBondContact O-N 3.16Å; L722-E724 VanDerWaalsContact O-N 3.11Å; L722-F725 WeakPolarHBondContact O-CB 3.36Å; L722-F725 PolarHBondContact O-N 3.34Å
723P90.6Very high89.8Confident85 Ų8569.3 Ų69.355%0.55234%0.338SS*.Hα-helixtrans-52.9-32.7172.7-26.735.3000113.5F725 Y726 K727P723-F725 PolarHBondContact O-N 3.12Å; P723-Y726 PolarHBondContact O-N 3.5Å; P723-K727 PolarHBondContact O-N 3.36Å; P723-K727 VanDerWaalsContact O-N 3.12Å
724E88.9Confident90.3Very high39 Ų3970.8 Ų70.818%0.18234%0.344CS..Hα-helixtrans-58.3-33.6174.7-70.979.5179.700112.6R681 F691 L722 K727 L728R681-E724 IonicContact NH2-OE1 3.04Å; F691-E724 HydrophobicContact CE2-CG 4.41Å; L722-E724 HydrophobicContact CB-CB 4.5Å; L722-E724 WeakPolarHBondContact CB-OE2 3.42Å; L722-E724 WeakPolarHBondContact CD2-OE2 3.3Å; L722-E724 PolarHBondContact O-N 3.16Å; L722-E724 VanDerWaalsContact O-N 3.11Å; E724-K727 PolarHBondContact O-N 3.45Å; E724-L728 WeakPolarHBondContact O-CB 3.41Å; E724-L728 PolarHBondContact O-N 3.3Å
725F90.9Very high90.7Very high22 Ų2271.4 Ų71.410%0.09635%0.347CS..Hα-helixtrans-61.1-47.1176.3175.2-92.4000111.2M714 Y721 L722 P723 L728 L729M714-F725 HydrophobicContact CB-CB 4.08Å; M714-F725 HydrophobicContact CB-CD2 4.38Å; M714-F725 HydrophobicContact CE-CB 4.33Å; M714-F725 HydrophobicContact CE-CD2 3.92Å; Y721-F725 HydrophobicContact CD1-CB 4.13Å; Y721-F725 AromaticContact CD1-CD1 3.66Å; Y721-F725 HydrophobicContact CD1-CD1 3.66Å; Y721-F725 AromaticContact CD1-CD2 3.71Å; Y721-F725 HydrophobicContact CD1-CD2 3.71Å; Y721-F725 AromaticContact CD1-CE1 3.93Å; Y721-F725 HydrophobicContact CD1-CE1 3.93Å; Y721-F725 AromaticContact CD1-CE2 3.98Å; Y721-F725 HydrophobicContact CD1-CE2 3.98Å; Y721-F725 AromaticContact CD1-CG 3.55Å; Y721-F725 HydrophobicContact CD1-CG 3.55Å; Y721-F725 HydrophobicContact CD1-CZ 4.09Å; Y721-F725 HydrophobicContact CE1-CD1 4.11Å; Y721-F725 AromaticContact CE1-CD2 3.81Å; Y721-F725 HydrophobicContact CE1-CD2 3.81Å; Y721-F725 AromaticContact CE1-CE1 3.92Å; Y721-F725 HydrophobicContact CE1-CE1 3.92Å; Y721-F725 AromaticContact CE1-CE2 3.6Å; Y721-F725 HydrophobicContact CE1-CE2 3.6Å; Y721-F725 HydrophobicContact CE1-CG 4.07Å; Y721-F725 AromaticContact CE1-CZ 3.66Å; Y721-F725 HydrophobicContact CE1-CZ 3.66Å; Y721-F725 HydrophobicContact CG-CD1 4.02Å; Y721-F725 HydrophobicContact CG-CE1 4.34Å; Y721-F725 HydrophobicContact CG-CG 4.26Å; L722-F725 WeakPolarHBondContact O-CB 3.36Å; L722-F725 PolarHBondContact O-N 3.34Å; P723-F725 PolarHBondContact O-N 3.12Å; F725-L728 PolarHBondContact O-N 3.1Å; F725-L729 WeakPolarHBondContact O-CB 3.45Å; F725-L729 PolarHBondContact O-N 3.23Å
726Y93.1Very high90.9Very high129 Ų12969.4 Ų69.451%0.50634%0.34SS..Hα-helixtrans-68.7-40.8-179.7-66-79.4000111.7P723 L728 L729 V730P723-Y726 PolarHBondContact O-N 3.5Å; Y726-L728 VanDerWaalsContact C-N 3.34Å; Y726-L728 PolarHBondContact O-N 3.36Å; Y726-L729 WeakPolarHBondContact O-CB 3.12Å; Y726-L729 PolarHBondContact O-N 2.65Å; Y726-V730 WeakPolarHBondContact O-CG2 3.3Å; Y726-V730 PolarHBondContact O-N 3.08Å
727K92.8Very high91.3Very high115 Ų11570.1 Ų70.150%0.534%0.342SS..Hα-helixtrans-58-47.1173.7-70177.1-178.61760111.4P723 E724 L729 V730 I731P723-K727 PolarHBondContact O-N 3.36Å; P723-K727 VanDerWaalsContact O-N 3.12Å; E724-K727 PolarHBondContact O-N 3.45Å; K727-L729 VanDerWaalsContact C-N 3.32Å; K727-L729 PolarHBondContact O-N 3.49Å; K727-V730 PolarHBondContact O-N 3.26Å; K727-I731 WeakPolarHBondContact O-CG1 3.33Å; K727-I731 PolarHBondContact O-N 3.28Å; K727-I731 VanDerWaalsContact O-N 3.08Å
728L91.4Very high91.7Very high3 Ų370.2 Ų70.22%0.01635%0.345CS..Hα-helixtrans-65.4-36.3178.2-169.969.1000112.1V672 P673 Y676 M714 E724 F725 Y726 I731 R732V672-L728 HydrophobicContact CG1-CD1 4.14Å; P673-L728 HydrophobicContact CB-CD2 4.33Å; P673-L728 HydrophobicContact CG-CD2 4.17Å; Y676-L728 HydrophobicContact CD1-CD1 4.32Å; Y676-L728 HydrophobicContact CG-CD1 4.05Å; M714-L728 HydrophobicContact CE-CB 4.23Å; M714-L728 HydrophobicContact CE-CD2 3.34Å; M714-L728 HydrophobicContact CE-CG 4.41Å; M714-L728 HydrophobicContact SD-CD2 4.2Å; E724-L728 WeakPolarHBondContact O-CB 3.41Å; E724-L728 PolarHBondContact O-N 3.3Å; F725-L728 PolarHBondContact O-N 3.1Å; Y726-L728 VanDerWaalsContact C-N 3.34Å; Y726-L728 PolarHBondContact O-N 3.36Å; L728-I731 PolarHBondContact O-N 3.38Å; L728-R732 WeakPolarHBondContact O-CB 3.26Å; L728-R732 VanDerWaalsContact O-CG 3.25Å; L728-R732 WeakPolarHBondContact O-CG 3.47Å; L728-R732 PolarHBondContact O-N 3.43Å
729L92.6Very high92.2Very high48 Ų4863 Ų6325%0.25131%0.314SS..Hα-helixtrans-62.1-44.5175.9-176.665.4000111.8F667 F725 Y726 K727 R732 L733F667-L729 HydrophobicContact CE1-CD1 4Å; F667-L729 HydrophobicContact CZ-CD1 4.44Å; F725-L729 WeakPolarHBondContact O-CB 3.45Å; F725-L729 PolarHBondContact O-N 3.23Å; Y726-L729 WeakPolarHBondContact O-CB 3.12Å; Y726-L729 PolarHBondContact O-N 2.65Å; K727-L729 VanDerWaalsContact C-N 3.32Å; K727-L729 PolarHBondContact O-N 3.49Å; L729-R732 PolarHBondContact O-N 3.17Å; L729-L733 HydrophobicContact CG-CD1 4.37Å; L729-L733 WeakPolarHBondContact O-CG 3.47Å; L729-L733 PolarHBondContact O-N 3.35Å
730V94.9Very high92.8Very high90 Ų9065.2 Ų65.255%0.54532%0.323SS..Hα-helixtrans-61.8-44.1176.2172.70000110.9Y726 K727 R732 L733 S734Y726-V730 WeakPolarHBondContact O-CG2 3.3Å; Y726-V730 PolarHBondContact O-N 3.08Å; K727-V730 PolarHBondContact O-N 3.26Å; V730-R732 VanDerWaalsContact C-N 3.35Å; V730-R732 PolarHBondContact O-N 3.33Å; V730-L733 PolarHBondContact O-N 3.17Å; V730-S734 WeakPolarHBondContact O-CB 3.46Å; V730-S734 PolarHBondContact O-N 3.49Å; V730-S734 PolarHBondContact O-OG 3.47Å
731I94.7Very high93Very high69 Ų6964.3 Ų64.335%0.35432%0.319SS..Hα-helixtrans-62.9-42.3177.9-67168.7000111V672 Y676 K727 L728 S734 F735V672-I731 HydrophobicContact CG1-CG2 3.78Å; Y676-I731 HydrophobicContact CD2-CD1 3.38Å; Y676-I731 HydrophobicContact CE2-CD1 3.75Å; Y676-I731 HydrophobicContact CG-CD1 4.39Å; K727-I731 WeakPolarHBondContact O-CG1 3.33Å; K727-I731 PolarHBondContact O-N 3.28Å; K727-I731 VanDerWaalsContact O-N 3.08Å; L728-I731 PolarHBondContact O-N 3.38Å; I731-S734 PolarHBondContact O-N 2.88Å; I731-F735 WeakPolarHBondContact O-CB 3.3Å; I731-F735 PolarHBondContact O-N 3.11Å
732R94.3Very high93.1Very high24 Ų2463.3 Ų63.39%0.09132%0.323CS..Hα-helixtrans-59.9-48.7176.4-77.3172.6158.3160.7-6.2112.3A666 F667 V672 L728 L729 V730 S734 F735 V736A666-R732 HydrophobicContact CB-CB 4.26Å; A666-R732 WeakPolarHBondContact O-CD 3.08Å; A666-R732 WeakPolarHBondContact O-CG 3.47Å; A666-R732 PolarHBondContact O-NE 2.97Å; F667-R732 HydrophobicContact CE1-CB 4.46Å; F667-R732 HydrophobicContact CZ-CB 4.31Å; V672-R732 HydrophobicContact CB-CG 4.34Å; V672-R732 HydrophobicContact CG1-CG 3.86Å; L728-R732 WeakPolarHBondContact O-CB 3.26Å; L728-R732 VanDerWaalsContact O-CG 3.25Å; L728-R732 WeakPolarHBondContact O-CG 3.47Å; L728-R732 PolarHBondContact O-N 3.43Å; L729-R732 PolarHBondContact O-N 3.17Å; V730-R732 VanDerWaalsContact C-N 3.35Å; V730-R732 PolarHBondContact O-N 3.33Å; R732-S734 VanDerWaalsContact C-N 3.34Å; R732-F735 WeakPolarHBondContact O-CB 3.45Å; R732-F735 PolarHBondContact O-N 3.44Å; R732-V736 WeakPolarHBondContact O-CG2 3.32Å; R732-V736 PolarHBondContact O-N 2.9Å; R732-V736 VanDerWaalsContact O-N 3.11Å
733L94.9Very high93Very high80 Ų8060.8 Ų60.842%0.41931%0.309SS..Hα-helixtrans-65.1-40.4178.5-68.8172.3000111.5F667 L729 V730 F735 V736 I737F667-L733 HydrophobicContact CE2-CD2 4.41Å; F667-L733 HydrophobicContact CZ-CD2 3.94Å; F667-L733 HydrophobicContact CZ-CG 4.49Å; L729-L733 HydrophobicContact CG-CD1 4.37Å; L729-L733 WeakPolarHBondContact O-CG 3.47Å; L729-L733 PolarHBondContact O-N 3.35Å; V730-L733 PolarHBondContact O-N 3.17Å; L733-F735 VanDerWaalsContact C-N 3.33Å; L733-F735 PolarHBondContact O-N 3.16Å; L733-V736 PolarHBondContact O-N 2.91Å; L733-I737 WeakPolarHBondContact O-CG1 3.45Å; L733-I737 PolarHBondContact O-N 3.18Å; L733-I737 VanDerWaalsContact O-N 3.1Å
734S95Very high93.1Very high52 Ų5259.3 Ų59.336%0.36429%0.294SS..Hα-helixtrans-62-41.7175.8-55.70000111.5V730 I731 R732 V736 I737 I738V730-S734 WeakPolarHBondContact O-CB 3.46Å; V730-S734 PolarHBondContact O-N 3.49Å; V730-S734 PolarHBondContact O-OG 3.47Å; I731-S734 PolarHBondContact O-N 2.88Å; R732-S734 VanDerWaalsContact C-N 3.34Å; S734-V736 PolarHBondContact O-N 3.42Å; S734-I737 PolarHBondContact O-N 3.39Å; S734-I738 WeakPolarHBondContact O-CB 3.21Å; S734-I738 VanDerWaalsContact O-CG1 3.26Å; S734-I738 WeakPolarHBondContact O-CG1 3.27Å; S734-I738 PolarHBondContact O-N 2.82Å
735F93.9Very high93.3Very high45 Ų4564.3 Ų64.320%0.19732%0.316CS..Hα-helixtrans-59.7-44.9175176.2-89.7000111.8V307 I665 A666 F671 V672 I731 R732 L733 I737 I738 F739V307-F735 HydrophobicContact CG1-CZ 4.48Å; I665-F735 HydrophobicContact CB-CE1 3.91Å; I665-F735 HydrophobicContact CB-CZ 4.34Å; I665-F735 HydrophobicContact CG2-CE1 3.56Å; I665-F735 HydrophobicContact CG2-CZ 3.61Å; A666-F735 HydrophobicContact CB-CD1 4.11Å; F671-F735 HydrophobicContact CE1-CE2 4.36Å; V672-F735 HydrophobicContact CG2-CG 4.39Å; I731-F735 WeakPolarHBondContact O-CB 3.3Å; I731-F735 PolarHBondContact O-N 3.11Å; R732-F735 WeakPolarHBondContact O-CB 3.45Å; R732-F735 PolarHBondContact O-N 3.44Å; L733-F735 VanDerWaalsContact C-N 3.33Å; L733-F735 PolarHBondContact O-N 3.16Å; F735-I737 PolarHBondContact O-N 3.34Å; F735-I738 PolarHBondContact O-N 2.9Å; F735-F739 HydrophobicContact CE1-CB 4.36Å; F735-F739 HydrophobicContact CE1-CD2 4.32Å; F735-F739 HydrophobicContact CZ-CD2 4.04Å; F735-F739 VanDerWaalsContact O-CB 3.24Å; F735-F739 WeakPolarHBondContact O-CB 3.46Å; F735-F739 PolarHBondContact O-N 3.37Å
736V94.9Very high93.2Very high5 Ų565.7 Ų65.73%0.0332%0.324CS..Hα-helixtrans-59-49.8177.8173.50000110.8A662 F663 A666 F667 R732 L733 S734 I738 F739 E740A662-V736 HydrophobicContact CB-CB 4.44Å; A662-V736 HydrophobicContact CB-CG1 4.03Å; A662-V736 HydrophobicContact CB-CG2 4.39Å; F663-V736 HydrophobicContact CD1-CG2 4.49Å; F663-V736 HydrophobicContact CD2-CG1 4.18Å; F663-V736 HydrophobicContact CE2-CG1 3.85Å; F663-V736 HydrophobicContact CZ-CG1 4.1Å; A666-V736 HydrophobicContact CB-CG2 3.59Å; F667-V736 HydrophobicContact CE2-CG2 4.43Å; R732-V736 WeakPolarHBondContact O-CG2 3.32Å; R732-V736 PolarHBondContact O-N 2.9Å; R732-V736 VanDerWaalsContact O-N 3.11Å; L733-V736 PolarHBondContact O-N 2.91Å; S734-V736 PolarHBondContact O-N 3.42Å; V736-I738 PolarHBondContact O-N 2.87Å; V736-F739 PolarHBondContact O-N 2.84Å; V736-E740 VanDerWaalsContact O-CB 3.26Å; V736-E740 WeakPolarHBondContact O-CB 3.48Å; V736-E740 PolarHBondContact O-N 2.05Å
737I95.2Very high92.9Very high95 Ų9560.9 Ų60.949%0.48731%0.306SS..Hα-helixtrans-59.9-47.1-179.6-65.7168.5000110.7L733 S734 F735 H741L733-I737 WeakPolarHBondContact O-CG1 3.45Å; L733-I737 PolarHBondContact O-N 3.18Å; L733-I737 VanDerWaalsContact O-N 3.1Å; S734-I737 PolarHBondContact O-N 3.39Å; F735-I737 PolarHBondContact O-N 3.34Å; I737-H741 PolarHBondContact O-N 3.16Å; I737-H741 VanDerWaalsContact O-N 3.07Å; I737-H741 PolarHBondContact O-ND1 2.96Å
738I94.3Very high92.7Very high110 Ų11062.9 Ų62.956%0.56431%0.31SS*.Hα-helixtrans-63.7-48.3-179.7-68.2166.4000110.6S734 F735 V736 E740 H741 V742S734-I738 WeakPolarHBondContact O-CB 3.21Å; S734-I738 VanDerWaalsContact O-CG1 3.26Å; S734-I738 WeakPolarHBondContact O-CG1 3.27Å; S734-I738 PolarHBondContact O-N 2.82Å; F735-I738 PolarHBondContact O-N 2.9Å; V736-I738 PolarHBondContact O-N 2.87Å; I738-E740 VanDerWaalsContact C-N 3.35Å; I738-E740 PolarHBondContact O-N 2.92Å; I738-H741 PolarHBondContact O-N 3.15Å; I738-V742 HydrophobicContact CG2-CG2 4.27Å; I738-V742 WeakPolarHBondContact O-CB 3.28Å; I738-V742 WeakPolarHBondContact O-CG2 3.08Å; I738-V742 PolarHBondContact O-N 3.46Å
739F92.4Very high92.7Very high14 Ų1466.7 Ų66.76%0.06133%0.33CS..Hα-helixtrans-58.2-48.5-179.8-176.5-81.6000111.2I311 V658 A662 I665 F735 V736 V743I311-F739 HydrophobicContact CD1-CE2 4.16Å; I311-F739 HydrophobicContact CG1-CD2 4.28Å; I311-F739 HydrophobicContact CG1-CE2 3.45Å; I311-F739 VanDerWaalsContact CG1-CE2 3.45Å; I311-F739 HydrophobicContact CG1-CZ 3.96Å; V658-F739 HydrophobicContact CG1-CD1 4.49Å; V658-F739 HydrophobicContact CG1-CE1 4.32Å; A662-F739 HydrophobicContact CB-CB 4.27Å; A662-F739 HydrophobicContact CB-CD1 3.56Å; A662-F739 HydrophobicContact CB-CE1 4.17Å; A662-F739 HydrophobicContact CB-CG 4.1Å; I665-F739 HydrophobicContact CD1-CE2 4.25Å; F735-F739 HydrophobicContact CE1-CB 4.36Å; F735-F739 HydrophobicContact CE1-CD2 4.32Å; F735-F739 HydrophobicContact CZ-CD2 4.04Å; F735-F739 VanDerWaalsContact O-CB 3.24Å; F735-F739 WeakPolarHBondContact O-CB 3.46Å; F735-F739 PolarHBondContact O-N 3.37Å; V736-F739 PolarHBondContact O-N 2.84Å; F739-V743 HydrophobicContact CD1-CG2 4.26Å; F739-V743 HydrophobicContact CE1-CG2 4.02Å; F739-V743 HydrophobicContact CZ-CG2 4.29Å; F739-V743 VanDerWaalsContact O-CG2 3.31Å; F739-V743 WeakPolarHBondContact O-CG2 3.43Å; F739-V743 PolarHBondContact O-N 3.32Å; F739-V743 VanDerWaalsContact O-N 3.08Å
740E93.8Very high92.5Very high51 Ų5165.7 Ų65.724%0.23833%0.325CS..Hα-helixtrans-58.8-53.8179.8-176.9-174.5166.400111.9V736 I738 V742 V743 F744V736-E740 VanDerWaalsContact O-CB 3.26Å; V736-E740 WeakPolarHBondContact O-CB 3.48Å; V736-E740 PolarHBondContact O-N 2.05Å; I738-E740 VanDerWaalsContact C-N 3.35Å; I738-E740 PolarHBondContact O-N 2.92Å; E740-V742 VanDerWaalsContact C-N 3.34Å; E740-V742 PolarHBondContact O-N 2.69Å; E740-V743 PolarHBondContact O-N 3.19Å; E740-F744 HydrophobicContact CG-CD2 3.53Å; E740-F744 HydrophobicContact CG-CE2 3.27Å; E740-F744 HydrophobicContact CG-CZ 4.29Å; E740-F744 WeakPolarHBondContact O-CB 3.39Å; E740-F744 WeakPolarHBondContact O-CD2 3.1Å; E740-F744 WeakPolarHBondContact O-CG 3.23Å; E740-F744 PolarHBondContact O-N 3.1Å; E740-F744 WeakPolarHBondContact OE1-CE2 3.45Å
741H93.2Very high92.1Very high120 Ų12063.6 Ų63.656%0.55631%0.31SS*.Hα-helixtrans-65.9-36.7-176.4-73.275.8000112.3I737 I738 F745I737-H741 PolarHBondContact O-N 3.16Å; I737-H741 VanDerWaalsContact O-N 3.07Å; I737-H741 PolarHBondContact O-ND1 2.96Å; I738-H741 PolarHBondContact O-N 3.15Å; H741-F745 WeakPolarHBondContact O-CB 3.4Å; H741-F745 PolarHBondContact O-N 3.25Å
742V92.1Very high91.8Very high77 Ų7766.3 Ų66.347%0.46733%0.325SS..Hα-helixtrans-64.7-47.8176.8169.30000110.6I738 E740 F745 I746I738-V742 HydrophobicContact CG2-CG2 4.27Å; I738-V742 WeakPolarHBondContact O-CB 3.28Å; I738-V742 WeakPolarHBondContact O-CG2 3.08Å; I738-V742 PolarHBondContact O-N 3.46Å; E740-V742 VanDerWaalsContact C-N 3.34Å; E740-V742 PolarHBondContact O-N 2.69Å; V742-F745 PolarHBondContact O-N 3.07Å; V742-I746 HydrophobicContact CG1-CD1 3.98Å; V742-I746 VanDerWaalsContact O-CG1 3.31Å; V742-I746 WeakPolarHBondContact O-CG1 3.33Å; V742-I746 PolarHBondContact O-N 3.13Å
743V90.1Very high91.6Very high3 Ų370.7 Ų70.72%0.01835%0.349CS..Hα-helixtrans-66.9-43-178.7174.90000111.1V658 F739 E740 F745 I746 H747V658-V743 HydrophobicContact CB-CG1 4.39Å; V658-V743 HydrophobicContact CG1-CB 3.85Å; V658-V743 HydrophobicContact CG1-CG1 3.77Å; V658-V743 HydrophobicContact CG2-CG1 3.67Å; F739-V743 HydrophobicContact CD1-CG2 4.26Å; F739-V743 HydrophobicContact CE1-CG2 4.02Å; F739-V743 HydrophobicContact CZ-CG2 4.29Å; F739-V743 VanDerWaalsContact O-CG2 3.31Å; F739-V743 WeakPolarHBondContact O-CG2 3.43Å; F739-V743 PolarHBondContact O-N 3.32Å; F739-V743 VanDerWaalsContact O-N 3.08Å; E740-V743 PolarHBondContact O-N 3.19Å; V743-F745 VanDerWaalsContact C-N 3.35Å; V743-F745 PolarHBondContact O-N 3.11Å; V743-I746 PolarHBondContact O-N 3.36Å; V743-H747 WeakPolarHBondContact O-CB 3.43Å; V743-H747 PolarHBondContact O-N 3.18Å
744F91.3Very high91.3Very high54 Ų5467.7 Ų67.724%0.23733%0.334CS..Hα-helixtrans-67.1-33.5176.5-71.6-37.6000113.4H655 V658 I659 E740 H747 R748H655-F744 AromaticContact CD2-CE1 3.77Å; V658-F744 HydrophobicContact CB-CE1 4Å; V658-F744 HydrophobicContact CB-CZ 4.11Å; V658-F744 HydrophobicContact CG1-CE1 4.14Å; V658-F744 HydrophobicContact CG1-CZ 4.15Å; V658-F744 HydrophobicContact CG2-CE1 3.98Å; I659-F744 HydrophobicContact CG1-CZ 4.38Å; E740-F744 HydrophobicContact CG-CD2 3.53Å; E740-F744 HydrophobicContact CG-CE2 3.27Å; E740-F744 HydrophobicContact CG-CZ 4.29Å; E740-F744 WeakPolarHBondContact O-CB 3.39Å; E740-F744 WeakPolarHBondContact O-CD2 3.1Å; E740-F744 WeakPolarHBondContact O-CG 3.23Å; E740-F744 PolarHBondContact O-N 3.1Å; E740-F744 WeakPolarHBondContact OE1-CE2 3.45Å; F744-H747 WeakPolarHBondContact O-CB 3.31Å; F744-H747 PolarHBondContact O-N 3.46Å; F744-R748 PolarHBondContact O-N 3.41Å
745F92.4Very high91Very high145 Ų14568.9 Ų68.964%0.63634%0.34SS*.Hα-helixtrans-63.2-45.9172.9176-100.7000111.6H741 V742 V743 H747 R748 L749H741-F745 WeakPolarHBondContact O-CB 3.4Å; H741-F745 PolarHBondContact O-N 3.25Å; V742-F745 PolarHBondContact O-N 3.07Å; V743-F745 VanDerWaalsContact C-N 3.35Å; V743-F745 PolarHBondContact O-N 3.11Å; F745-H747 VanDerWaalsContact C-N 3.34Å; F745-H747 PolarHBondContact O-N 3.2Å; F745-R748 PolarHBondContact O-N 3.23Å; F745-L749 PolarHBondContact O-N 3.14Å
746I89.9Confident90.8Very high51 Ų5170 Ų7026%0.26235%0.349SS..Hα-helixtrans-66-38.8177.6-61.6165.5000110.8L315 V742 V743 R748 L749 I750L315-I746 HydrophobicContact CD1-CG2 4.33Å; L315-I746 HydrophobicContact CD2-CB 3.85Å; L315-I746 HydrophobicContact CD2-CG2 3.38Å; L315-I746 HydrophobicContact CG-CG2 4.5Å; V742-I746 HydrophobicContact CG1-CD1 3.98Å; V742-I746 VanDerWaalsContact O-CG1 3.31Å; V742-I746 WeakPolarHBondContact O-CG1 3.33Å; V742-I746 PolarHBondContact O-N 3.13Å; V743-I746 PolarHBondContact O-N 3.36Å; I746-R748 PolarHBondContact O-N 3.17Å; I746-L749 WeakPolarHBondContact O-CB 3.49Å; I746-L749 PolarHBondContact O-N 3.1Å; I746-L749 VanDerWaalsContact O-N 3.16Å; I746-I750 HydrophobicContact CG2-CD1 4.03Å; I746-I750 HydrophobicContact CG2-CG1 4.5Å; I746-I750 WeakPolarHBondContact O-CG1 3.18Å; I746-I750 PolarHBondContact O-N 3.01Å
747H87.3Confident90.4Very high27 Ų2773.3 Ų73.313%0.12537%0.365CS..Hα-helixtrans-54.1-53.6172.5175.8-168.5000110.8V318 H655 V743 F744 F745 L749 I750 D751V318-H747 HydrophobicContact CG1-CB 4.34Å; V318-H747 WeakPolarHBondContact CG1-CD2 3.45Å; V318-H747 HydrophobicContact CG2-CB 4.13Å; H655-H747 AromaticContact CE1-CE1 3.76Å; H655-H747 AromaticContact NE2-CE1 3.47Å; H655-H747 PolarHBondContact NE2-CE1 2.94Å; H655-H747 AromaticContact NE2-ND1 3.91Å; V743-H747 WeakPolarHBondContact O-CB 3.43Å; V743-H747 PolarHBondContact O-N 3.18Å; F744-H747 WeakPolarHBondContact O-CB 3.31Å; F744-H747 PolarHBondContact O-N 3.46Å; F745-H747 VanDerWaalsContact C-N 3.34Å; F745-H747 PolarHBondContact O-N 3.2Å; H747-L749 PolarHBondContact O-N 3.5Å; H747-I750 WeakPolarHBondContact O-CB 3.46Å; H747-I750 PolarHBondContact O-N 3.32Å; H747-D751 IonicContact CD2-OD1 3.99Å; H747-D751 PolarHBondContact CD2-OD1 2.93Å; H747-D751 VanDerWaalsContact CD2-OD1 3.22Å; H747-D751 IonicContact CD2-OD2 3.85Å; H747-D751 IonicContact NE2-OD1 3.51Å; H747-D751 IonicContact NE2-OD2 3.46Å; H747-D751 PolarHBondContact O-N 3.39Å
748R88.7Confident90.2Very high158 Ų15869.2 Ų69.260%0.59635%0.345SS*.Hα-helixtrans-59.5-33.2179.1-172.956.6170.9178.61.4112.8F744 F745 I746 L752F744-R748 PolarHBondContact O-N 3.41Å; F745-R748 PolarHBondContact O-N 3.23Å; I746-R748 PolarHBondContact O-N 3.17Å; R748-L752 VanDerWaalsContact O-CG 3.29Å; R748-L752 WeakPolarHBondContact O-CG 3.31Å; R748-L752 PolarHBondContact O-N 3.08Å
749L90.8Very high89.9Confident82 Ų8270.6 Ų70.643%0.42935%0.349SS..Hα-helixtrans-67-41.2175-173.670.9000111.8F745 I746 H747 L752 I753F745-L749 PolarHBondContact O-N 3.14Å; I746-L749 WeakPolarHBondContact O-CB 3.49Å; I746-L749 PolarHBondContact O-N 3.1Å; I746-L749 VanDerWaalsContact O-N 3.16Å; H747-L749 PolarHBondContact O-N 3.5Å; L749-L752 PolarHBondContact O-N 3.35Å; L749-I753 HydrophobicContact CD1-CD1 4.31Å; L749-I753 HydrophobicContact CD2-CD1 4.43Å; L749-I753 HydrophobicContact CG-CD1 3.88Å; L749-I753 VanDerWaalsContact O-CG1 3.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.36Å; L749-I753 PolarHBondContact O-N 2.74Å; L749-I753 VanDerWaalsContact O-N 3.14Å
750I88.7Confident89.5Confident27 Ų2776 Ų7614%0.13838%0.379CS..Hα-helixtrans-62.4-45.6177-68.7160.3000110.4L315 V318 T319 I746 H747 L752 I753 V754L315-I750 HydrophobicContact CD2-CD1 4.21Å; V318-I750 HydrophobicContact CG1-CB 4.43Å; V318-I750 HydrophobicContact CG1-CD1 4.28Å; V318-I750 HydrophobicContact CG1-CG2 4.24Å; T319-I750 HydrophobicContact CG2-CD1 3.87Å; T319-I750 HydrophobicContact CG2-CG1 4.49Å; T319-I750 HydrophobicContact CG2-CG2 4.02Å; I746-I750 HydrophobicContact CG2-CD1 4.03Å; I746-I750 HydrophobicContact CG2-CG1 4.5Å; I746-I750 WeakPolarHBondContact O-CG1 3.18Å; I746-I750 PolarHBondContact O-N 3.01Å; H747-I750 WeakPolarHBondContact O-CB 3.46Å; H747-I750 PolarHBondContact O-N 3.32Å; I750-L752 PolarHBondContact O-N 3.38Å; I750-I753 PolarHBondContact O-N 3.08Å; I750-V754 HydrophobicContact CG2-CG2 4.3Å; I750-V754 PolarHBondContact O-N 2.91Å
751D86.1Confident89.1Confident46 Ų4673.9 Ų73.925%0.24637%0.369CS..Hα-helixtrans-59.6-32.2177.7-59.1-9.6000112.4H747H747-D751 IonicContact CD2-OD1 3.99Å; H747-D751 PolarHBondContact CD2-OD1 2.93Å; H747-D751 VanDerWaalsContact CD2-OD1 3.22Å; H747-D751 IonicContact CD2-OD2 3.85Å; H747-D751 IonicContact NE2-OD1 3.51Å; H747-D751 IonicContact NE2-OD2 3.46Å; H747-D751 PolarHBondContact O-N 3.39Å
752L88.4Confident88.9Confident127 Ų12772.1 Ų72.167%0.66536%0.361SS*.Hα-helixtrans-77.2-28.9177.1-71.1171.1000112.8R748 L749 I750R748-L752 VanDerWaalsContact O-CG 3.29Å; R748-L752 WeakPolarHBondContact O-CG 3.31Å; R748-L752 PolarHBondContact O-N 3.08Å; L749-L752 PolarHBondContact O-N 3.35Å; I750-L752 PolarHBondContact O-N 3.38Å
753I90.2Very high88.7Confident115 Ų11573 Ų7359%0.5936%0.362SS*.Hα-helixtrans-86.3-38-176.1-69.6168.7000111.5L749 I750 P755L749-I753 HydrophobicContact CD1-CD1 4.31Å; L749-I753 HydrophobicContact CD2-CD1 4.43Å; L749-I753 HydrophobicContact CG-CD1 3.88Å; L749-I753 VanDerWaalsContact O-CG1 3.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.36Å; L749-I753 PolarHBondContact O-N 2.74Å; L749-I753 VanDerWaalsContact O-N 3.14Å; I750-I753 PolarHBondContact O-N 3.08Å; I753-P755 VanDerWaalsContact O-CD 3.3Å; I753-P755 WeakPolarHBondContact O-CD 3.37Å
754V88.5Confident88.3Confident17 Ų1774.9 Ų74.910%0.10337%0.37CS..SBendtrans-97.9107.4-174.4-176.10000109.2Y323 I750Y323-V754 HydrophobicContact CE2-CG2 4.38Å; I750-V754 HydrophobicContact CG2-CG2 4.3Å; I750-V754 PolarHBondContact O-N 2.91Å
755P88.9Confident88Confident77 Ų7775.4 Ų75.450%0.537%0.374SS..  trans-69.6141.2177.228.6-34.5000111.4I753 I757I753-P755 VanDerWaalsContact O-CD 3.3Å; I753-P755 WeakPolarHBondContact O-CD 3.37Å; P755-I757 VanDerWaalsContact C-N 3.31Å; P755-I757 PolarHBondContact O-N 3.36Å
756D88.9Confident87.7Confident70 Ų7074.3 Ų74.337%0.37437%0.369SS..SBendtrans-58.5-38.7-179.9-71-22.2000113.5K325 R326K325-D756 HydrophobicContact CD-CB 4.49Å; K325-D756 WeakPolarHBondContact CD-OD1 3.32Å; K325-D756 VanDerWaalsContact CE-OD1 3.29Å; K325-D756 WeakPolarHBondContact CE-OD1 3.32Å; K325-D756 WeakPolarHBondContact CE-OD2 3.48Å; K325-D756 IonicContact NZ-OD1 2.73Å; K325-D756 PolarHBondContact NZ-OD1 3.28Å; K325-D756 IonicContact NZ-OD2 2.69Å; K325-D756 PolarHBondContact NZ-OD2 3.24Å; R326-D756 VanDerWaalsContact CA-O 3.25Å; R326-D756 WeakPolarHBondContact CA-O 3.39Å
757I88.2Confident87.5Confident74 Ų7479.3 Ų79.338%0.37939%0.385SS..SBendtrans-110.2128.9-177.8-56.6176000107.9P755 V761 E762P755-I757 VanDerWaalsContact C-N 3.31Å; P755-I757 PolarHBondContact O-N 3.36Å; I757-V761 HydrophobicContact CG2-CB 4.38Å; I757-V761 HydrophobicContact CG2-CG1 4.3Å; I757-E762 HydrophobicContact CG2-CB 4.28Å
758P89.5Confident87.1Confident8 Ų880 Ų805%0.05239%0.388CS..  trans-67.4139.7175.223.6-24.9000110.9R326 D760 V761 E762R326-P758 HydrophobicContact CG-CB 4.27Å; R326-P758 HydrophobicContact CG-CG 4.18Å; P758-D760 VanDerWaalsContact C-N 3.26Å; P758-D760 PolarHBondContact O-N 3.32Å; P758-V761 HydrophobicContact CG-CB 3.92Å; P758-V761 HydrophobicContact CG-CG2 3.67Å; P758-V761 PolarHBondContact O-N 3.47Å; P758-E762 PolarHBondContact O-N 3.37Å; P758-E762 VanDerWaalsContact O-N 3.07Å
759E87.5Confident86.7Confident139 Ų13977.8 Ų77.865%0.6538%0.384SS*.Hα-helixtrans-53.6-40.5-177.8-172.6177.7-179.200112.8V761 E762 L763E759-V761 VanDerWaalsContact C-N 3.3Å; E759-V761 PolarHBondContact O-N 3.04Å; E759-E762 PolarHBondContact O-N 3.03Å; E759-L763 HydrophobicContact CG-CD1 4.15Å; E759-L763 HydrophobicContact CG-CG 4.44Å; E759-L763 WeakPolarHBondContact O-CB 3.26Å; E759-L763 WeakPolarHBondContact O-CG 3.43Å; E759-L763 PolarHBondContact O-N 3.31Å
760D84.6Confident86.4Confident129 Ų12981.2 Ų81.269%0.6939%0.393SS*.Hα-helixtrans-59.1-39.6178.2-61-36.6000112.8P758 K764P758-D760 VanDerWaalsContact C-N 3.26Å; P758-D760 PolarHBondContact O-N 3.32Å; D760-K764 WeakPolarHBondContact O-CB 3.35Å; D760-K764 PolarHBondContact O-N 2.68Å
761V85.8Confident85.9Confident5 Ų583.1 Ų83.13%0.0340%0.402CS..Hα-helixtrans-74-41.6178.1172.10000110.2Y330 H333 I757 P758 E759 L763 K764 M765Y330-V761 HydrophobicContact CD2-CG2 3.52Å; Y330-V761 HydrophobicContact CE2-CG2 4.32Å; Y330-V761 HydrophobicContact CG-CG2 4.37Å; H333-V761 HydrophobicContact CB-CG1 3.86Å; I757-V761 HydrophobicContact CG2-CB 4.38Å; I757-V761 HydrophobicContact CG2-CG1 4.3Å; P758-V761 HydrophobicContact CG-CB 3.92Å; P758-V761 HydrophobicContact CG-CG2 3.67Å; P758-V761 PolarHBondContact O-N 3.47Å; E759-V761 VanDerWaalsContact C-N 3.3Å; E759-V761 PolarHBondContact O-N 3.04Å; V761-L763 VanDerWaalsContact C-N 3.3Å; V761-L763 PolarHBondContact O-N 2.97Å; V761-K764 PolarHBondContact O-N 3.06Å; V761-K764 VanDerWaalsContact O-N 3.13Å; V761-M765 HydrophobicContact CG1-CG 4.23Å; V761-M765 HydrophobicContact CG1-SD 4Å; V761-M765 WeakPolarHBondContact O-CB 3.43Å; V761-M765 WeakPolarHBondContact O-CG 3.49Å; V761-M765 PolarHBondContact O-N 3.01Å
762E88.7Confident85.5Confident83 Ų8383.5 Ų83.539%0.38841%0.411SS..Hα-helixtrans-59.6-43.6176.5-166.3-169.6165.500111.3I757 P758 E759 M765 K766I757-E762 HydrophobicContact CG2-CB 4.28Å; P758-E762 PolarHBondContact O-N 3.37Å; P758-E762 VanDerWaalsContact O-N 3.07Å; E759-E762 PolarHBondContact O-N 3.03Å; E762-M765 PolarHBondContact O-N 3.17Å; E762-K766 HydrophobicContact CG-CD 4.46Å; E762-K766 WeakPolarHBondContact O-CB 3.46Å; E762-K766 VanDerWaalsContact O-CG 3.29Å; E762-K766 WeakPolarHBondContact O-CG 3.48Å; E762-K766 PolarHBondContact O-N 3.14Å; E762-K766 WeakPolarHBondContact OE1-CE 3.33Å; E762-K766 IonicContact OE1-NZ 2.75Å; E762-K766 PolarHBondContact OE1-NZ 3.21Å
763L87.3Confident85Confident96 Ų9683.3 Ų83.350%0.50341%0.405SS..Hα-helixtrans-62.8-41.9174.4-72.1172.4000111.7E759 V761 K766 R767E759-L763 HydrophobicContact CG-CD1 4.15Å; E759-L763 HydrophobicContact CG-CG 4.44Å; E759-L763 WeakPolarHBondContact O-CB 3.26Å; E759-L763 WeakPolarHBondContact O-CG 3.43Å; E759-L763 PolarHBondContact O-N 3.31Å; V761-L763 VanDerWaalsContact C-N 3.3Å; V761-L763 PolarHBondContact O-N 2.97Å; L763-K766 PolarHBondContact O-N 3.43Å; L763-R767 WeakPolarHBondContact O-CB 3.2Å; L763-R767 PolarHBondContact O-N 3.01Å
764K82.6Confident84.6Confident42 Ų4282.1 Ų82.118%0.18340%0.397CS..Hα-helixtrans-63.3-47176.9-170.3177.1175.8-173.50111.7Y111 D760 V761 K766 R767 E768Y111-K764 HydrophobicContact CE1-CG 4.48Å; D760-K764 WeakPolarHBondContact O-CB 3.35Å; D760-K764 PolarHBondContact O-N 2.68Å; V761-K764 PolarHBondContact O-N 3.06Å; V761-K764 VanDerWaalsContact O-N 3.13Å; K764-K766 PolarHBondContact O-N 3.21Å; K764-R767 WeakPolarHBondContact O-CB 3.13Å; K764-R767 PolarHBondContact O-N 3.1Å; K764-R767 VanDerWaalsContact O-N 3.15Å; K764-E768 WeakPolarHBondContact CE-OE1 3.24Å; K764-E768 WeakPolarHBondContact O-CG 3.38Å; K764-E768 PolarHBondContact O-N 2.83Å
765M84.6Confident83.8Confident66 Ų6682.9 Ų82.933%0.32541%0.405SS..Hα-helixtrans-59.1-46175.6-71.4177.373.300111.7H333 T338 V761 E762 R767 E768 H769H333-M765 WeakPolarHBondContact CE1-CG 3.34Å; T338-M765 HydrophobicContact CG2-CE 4.24Å; V761-M765 HydrophobicContact CG1-CG 4.23Å; V761-M765 HydrophobicContact CG1-SD 4Å; V761-M765 WeakPolarHBondContact O-CB 3.43Å; V761-M765 WeakPolarHBondContact O-CG 3.49Å; V761-M765 PolarHBondContact O-N 3.01Å; E762-M765 PolarHBondContact O-N 3.17Å; M765-R767 VanDerWaalsContact C-N 3.3Å; M765-R767 PolarHBondContact O-N 3.41Å; M765-E768 PolarHBondContact O-N 3.46Å; M765-H769 WeakPolarHBondContact O-CB 3.47Å; M765-H769 PolarHBondContact O-N 2.93Å
766K87.4Confident83.2Confident121 Ų12184.3 Ų84.353%0.52641%0.408SS..Hα-helixtrans-59.3-41.5175.6-75.8172.4-176.5167.80111.6E762 L763 K764 Y770E762-K766 HydrophobicContact CG-CD 4.46Å; E762-K766 WeakPolarHBondContact O-CB 3.46Å; E762-K766 VanDerWaalsContact O-CG 3.29Å; E762-K766 WeakPolarHBondContact O-CG 3.48Å; E762-K766 PolarHBondContact O-N 3.14Å; E762-K766 WeakPolarHBondContact OE1-CE 3.33Å; E762-K766 IonicContact OE1-NZ 2.75Å; E762-K766 PolarHBondContact OE1-NZ 3.21Å; L763-K766 PolarHBondContact O-N 3.43Å; K764-K766 PolarHBondContact O-N 3.21Å; K766-Y770 WeakPolarHBondContact O-CB 3.21Å; K766-Y770 PolarHBondContact O-N 2.95Å
767R84.2Confident82.7Confident156 Ų15683.8 Ų83.859%0.58941%0.413SS*.Hα-helixtrans-66.6-45.7178.3-172.7177.1-178.4172.10.9112.2L763 K764 M765 H769 Y770 M771L763-R767 WeakPolarHBondContact O-CB 3.2Å; L763-R767 PolarHBondContact O-N 3.01Å; K764-R767 WeakPolarHBondContact O-CB 3.13Å; K764-R767 PolarHBondContact O-N 3.1Å; K764-R767 VanDerWaalsContact O-N 3.15Å; M765-R767 VanDerWaalsContact C-N 3.3Å; M765-R767 PolarHBondContact O-N 3.41Å; R767-H769 VanDerWaalsContact C-N 3.34Å; R767-H769 PolarHBondContact O-N 2.8Å; R767-Y770 WeakPolarHBondContact O-CB 3.33Å; R767-Y770 PolarHBondContact O-N 3.4Å; R767-M771 HydrophobicContact CG-CE 4.33Å; R767-M771 WeakPolarHBondContact O-CG 3.14Å; R767-M771 PolarHBondContact O-N 3.5Å
768E78.6Confident82.1Confident43 Ų4384.3 Ų84.320%0.20141%0.414CS..Hα-helixtrans-60.7-44.7176.2-73.8175.7-176.900111.4Y111 H333 K764 M765 Y770 M771 A772Y111-E768 HydrophobicContact CD1-CG 3.95Å; Y111-E768 VanDerWaalsContact CD1-OE1 3.3Å; Y111-E768 WeakPolarHBondContact CD1-OE1 3.07Å; Y111-E768 HydrophobicContact CE1-CG 3.96Å; Y111-E768 WeakPolarHBondContact CE1-OE1 3.45Å; H333-E768 IonicContact CE1-OE2 3.47Å; H333-E768 PolarHBondContact CE1-OE2 2.76Å; H333-E768 IonicContact NE2-OE1 3.73Å; H333-E768 IonicContact NE2-OE2 2.63Å; K764-E768 WeakPolarHBondContact CE-OE1 3.24Å; K764-E768 WeakPolarHBondContact O-CG 3.38Å; K764-E768 PolarHBondContact O-N 2.83Å; M765-E768 PolarHBondContact O-N 3.46Å; E768-Y770 VanDerWaalsContact C-N 3.32Å; E768-Y770 PolarHBondContact O-N 3.24Å; E768-M771 HydrophobicContact CG-CE 4.34Å; E768-M771 PolarHBondContact O-N 3.41Å; E768-A772 WeakPolarHBondContact O-CB 3.05Å; E768-A772 PolarHBondContact O-N 3.19Å
769H81.6Confident81.2Confident110 Ų11086.7 Ų86.751%0.50943%0.426SS..Hα-helixtrans-63.1-38.6176.8-169.976.4000112.4M765 R767 K773M765-H769 WeakPolarHBondContact O-CB 3.47Å; M765-H769 PolarHBondContact O-N 2.93Å; R767-H769 VanDerWaalsContact C-N 3.34Å; R767-H769 PolarHBondContact O-N 2.8Å; H769-K773 PolarHBondContact CD2-NZ 3.46Å; H769-K773 WeakPolarHBondContact NE2-CE 3.38Å; H769-K773 PolarHBondContact NE2-NZ 3.08Å; H769-K773 WeakPolarHBondContact O-CG 3.06Å; H769-K773 PolarHBondContact O-N 3.14Å
770Y84.6Confident80.5Confident154 Ų15487.5 Ų87.560%0.60443%0.428SS*.Hα-helixtrans-63.1-47.7173.5179.2-94.6000111.8K766 R767 E768 A772 K773 Q774K766-Y770 WeakPolarHBondContact O-CB 3.21Å; K766-Y770 PolarHBondContact O-N 2.95Å; R767-Y770 WeakPolarHBondContact O-CB 3.33Å; R767-Y770 PolarHBondContact O-N 3.4Å; E768-Y770 VanDerWaalsContact C-N 3.32Å; E768-Y770 PolarHBondContact O-N 3.24Å; Y770-A772 PolarHBondContact O-N 2.03Å; Y770-K773 WeakPolarHBondContact O-CB 3.46Å; Y770-K773 PolarHBondContact O-N 3.37Å; Y770-Q774 PolarHBondContact O-N 3.26Å
771M78.3Confident79.7Confident68 Ų6884 Ų8434%0.33542%0.417SS..Hα-helixtrans-62.3-40.6177.7-69.1-171-60.900112.1Y111 R767 E768 K773 Q774 A775Y111-M771 HydrophobicContact CD1-CE 4.49Å; Y111-M771 HydrophobicContact CE1-CE 4.39Å; R767-M771 HydrophobicContact CG-CE 4.33Å; R767-M771 WeakPolarHBondContact O-CG 3.14Å; R767-M771 PolarHBondContact O-N 3.5Å; E768-M771 HydrophobicContact CG-CE 4.34Å; E768-M771 PolarHBondContact O-N 3.41Å; M771-K773 PolarHBondContact O-N 2.94Å; M771-Q774 PolarHBondContact O-N 3.33Å; M771-A775 WeakPolarHBondContact O-CB 3.35Å; M771-A775 PolarHBondContact O-N 2.76Å
772A76.2Confident78.6Confident53 Ų5389.1 Ų89.144%0.43844%0.443SS..Hα-helixtrans-62.4-42.4175.800000112E768 Y770 A775 L776E768-A772 WeakPolarHBondContact O-CB 3.05Å; E768-A772 PolarHBondContact O-N 3.19Å; Y770-A772 PolarHBondContact O-N 2.03Å; A772-A775 PolarHBondContact O-N 3.49Å; A772-L776 WeakPolarHBondContact O-CG 3.37Å; A772-L776 PolarHBondContact O-N 3.45Å
773K79.8Confident77Confident124 Ų12486.9 Ų86.954%0.53944%0.442SS..Hα-helixtrans-61.6-43.8174.1-81.1176.4167.8163.70112H769 Y770 M771 L776 A777H769-K773 PolarHBondContact CD2-NZ 3.46Å; H769-K773 WeakPolarHBondContact NE2-CE 3.38Å; H769-K773 PolarHBondContact NE2-NZ 3.08Å; H769-K773 WeakPolarHBondContact O-CG 3.06Å; H769-K773 PolarHBondContact O-N 3.14Å; Y770-K773 WeakPolarHBondContact O-CB 3.46Å; Y770-K773 PolarHBondContact O-N 3.37Å; M771-K773 PolarHBondContact O-N 2.94Å; K773-L776 PolarHBondContact O-N 3.44Å; K773-A777 PolarHBondContact O-N 3.49Å
774Q81.3Confident75.4Confident90 Ų9090.4 Ų90.442%0.42145%0.454SS..Hα-helixtrans-62.3-46.2177.1-174.2177.5-1400111.4Y770 M771 L776 A777 E778Y770-Q774 PolarHBondContact O-N 3.26Å; M771-Q774 PolarHBondContact O-N 3.33Å; Q774-L776 VanDerWaalsContact C-N 3.29Å; Q774-L776 PolarHBondContact O-N 3.33Å; Q774-A777 WeakPolarHBondContact O-CB 3.45Å; Q774-A777 PolarHBondContact O-N 2.9Å; Q774-E778 PolarHBondContact NE2-OE1 2.95Å; Q774-E778 VanDerWaalsContact NE2-OE1 3.13Å; Q774-E778 WeakPolarHBondContact O-CG 3.41Å; Q774-E778 PolarHBondContact O-N 3.14Å
775A72Confident74Confident32 Ų3294 Ų9426%0.26448%0.479SS..Hα-helixtrans-61.1-35.9177.200000112.7M771 A772 N779M771-A775 WeakPolarHBondContact O-CB 3.35Å; M771-A775 PolarHBondContact O-N 2.76Å; A772-A775 PolarHBondContact O-N 3.49Å; A775-N779 VanDerWaalsContact O-CG 3.27Å; A775-N779 PolarHBondContact O-N 2.84Å; A775-N779 VanDerWaalsContact O-N 3.12Å; A775-N779 PolarHBondContact O-ND2 3.44Å
776L74.7Confident72Confident108 Ų10894.9 Ų94.957%0.56549%0.492SS*.Hα-helixtrans-68.7-38.6173.3-72.6170.8000112.2A772 K773 Q774 K780A772-L776 WeakPolarHBondContact O-CG 3.37Å; A772-L776 PolarHBondContact O-N 3.45Å; K773-L776 PolarHBondContact O-N 3.44Å; Q774-L776 VanDerWaalsContact C-N 3.29Å; Q774-L776 PolarHBondContact O-N 3.33Å; L776-K780 WeakPolarHBondContact O-CG 3.27Å; L776-K780 PolarHBondContact O-N 3.24Å
777A78.9Confident69.7Low59 Ų5995 Ų9549%0.48850%0.497SS..Hα-helixtrans-65.9-43.9176.900000111.8K773 Q774 K780 A781K773-A777 PolarHBondContact O-N 3.49Å; Q774-A777 WeakPolarHBondContact O-CB 3.45Å; Q774-A777 PolarHBondContact O-N 2.9Å; A777-K780 PolarHBondContact O-N 3.12Å; A777-A781 PolarHBondContact O-N 3.11Å
778E76.6Confident67.5Low85 Ų8592.5 Ų92.540%0.39750%0.501SS..Hα-helixtrans-61-44.9175-72.9172-169.700111.6Q774 K780 A781 L782Q774-E778 PolarHBondContact NE2-OE1 2.95Å; Q774-E778 VanDerWaalsContact NE2-OE1 3.13Å; Q774-E778 WeakPolarHBondContact O-CG 3.41Å; Q774-E778 PolarHBondContact O-N 3.14Å; E778-K780 VanDerWaalsContact C-N 3.29Å; E778-K780 PolarHBondContact O-N 3.14Å; E778-A781 PolarHBondContact O-N 2.03Å; E778-A781 VanDerWaalsContact O-N 3.14Å; E778-L782 WeakPolarHBondContact O-CB 3.4Å; E778-L782 PolarHBondContact O-N 3.07Å
779N70.7Confident65.5Low57 Ų5797.7 Ų97.731%0.30553%0.53SS..Hα-helixtrans-61.3-37.1175.3-73.3-45000112.2A775 G783A775-N779 VanDerWaalsContact O-CG 3.27Å; A775-N779 PolarHBondContact O-N 2.84Å; A775-N779 VanDerWaalsContact O-N 3.12Å; A775-N779 PolarHBondContact O-ND2 3.44Å; N779-G783 PolarHBondContact O-N 2.77Å
780K71.4Confident63.2Low157 Ų15799.8 Ų99.868%0.68355%0.545SS*.Hα-helixtrans-69.3-35.9174.5-77.3-179.1179.8179.30112.3L776 A777 E778 K784L776-K780 WeakPolarHBondContact O-CG 3.27Å; L776-K780 PolarHBondContact O-N 3.24Å; A777-K780 PolarHBondContact O-N 3.12Å; E778-K780 VanDerWaalsContact C-N 3.29Å; E778-K780 PolarHBondContact O-N 3.14Å; K780-K784 WeakPolarHBondContact O-CG 3.33Å; K780-K784 PolarHBondContact O-N 2.75Å; K780-K784 VanDerWaalsContact O-N 3.13Å
781A69.2Low60.8Low55 Ų55101 Ų10146%0.45555%0.553SS.*Hα-helixtrans-68.1-4617600000111.1A777 E778 K784 T785A777-A781 PolarHBondContact O-N 3.11Å; E778-A781 PolarHBondContact O-N 2.03Å; E778-A781 VanDerWaalsContact O-N 3.14Å; A781-K784 PolarHBondContact O-N 2.66Å; A781-K784 VanDerWaalsContact O-N 3.12Å; A781-T785 PolarHBondContact O-N 2.97Å; A781-T785 PolarHBondContact O-OG1 2.9Å
782L61.6Low58.7Low113 Ų113104.5 Ų104.559%0.59257%0.574SS**Hα-helixtrans-61-41.5173-93.5134.9000112.6E778 K784 T785 S786E778-L782 WeakPolarHBondContact O-CB 3.4Å; E778-L782 PolarHBondContact O-N 3.07Å; L782-K784 PolarHBondContact O-N 3.42Å; L782-T785 WeakPolarHBondContact CA-OG1 3.26Å; L782-T785 PolarHBondContact O-N 2.66Å; L782-T785 PolarHBondContact O-OG1 3.29Å; L782-T785 VanDerWaalsContact O-OG1 3.09Å; L782-S786 WeakPolarHBondContact O-CB 3.43Å; L782-S786 PolarHBondContact O-N 3.23Å; L782-S786 PolarHBondContact O-OG 3.14Å
783G55.3Low56.6Low36 Ų36109.7 Ų109.737%0.37159%0.592SS.*Hα-helixtrans-67.1-20.6175.100000114.1N779 S786N779-G783 PolarHBondContact O-N 2.77Å; G783-S786 PolarHBondContact O-OG 3.37Å
784K54.8Low54.1Low170 Ų170112.3 Ų112.374%0.73961%0.609SS**Hα-helixtrans-86.3-30.8172.5-78-179.7177.9-173.90112.6K780 A781 L782K780-K784 WeakPolarHBondContact O-CG 3.33Å; K780-K784 PolarHBondContact O-N 2.75Å; K780-K784 VanDerWaalsContact O-N 3.13Å; A781-K784 PolarHBondContact O-N 2.66Å; A781-K784 VanDerWaalsContact O-N 3.12Å; L782-K784 PolarHBondContact O-N 3.42Å
785T51.3Low51.7Low117 Ų117113.5 Ų113.572%0.71863%0.627SS**Hα-helixtrans-81.3-17175.144.40000113.4A781 L782A781-T785 PolarHBondContact O-N 2.97Å; A781-T785 PolarHBondContact O-OG1 2.9Å; L782-T785 WeakPolarHBondContact CA-OG1 3.26Å; L782-T785 PolarHBondContact O-N 2.66Å; L782-T785 PolarHBondContact O-OG1 3.29Å; L782-T785 VanDerWaalsContact O-OG1 3.09Å
786S42.7Very low50Low85 Ų85115.3 Ų115.359%0.59465%0.649SS**THydrogen-bonded Turntrans-89.713.6175.767.90000115L782 G783 P788L782-S786 WeakPolarHBondContact O-CB 3.43Å; L782-S786 PolarHBondContact O-N 3.23Å; L782-S786 PolarHBondContact O-OG 3.14Å; G783-S786 PolarHBondContact O-OG 3.37Å; S786-P788 WeakPolarHBondContact O-CD 3.39Å
787I39.3Very low47.9Very low124 Ų124117.9 Ų117.964%0.63666%0.663SS**  trans-104.698.1166.6-56.2172.9000106.4
788P37.6Very low45.5Very low103 Ų103123.6 Ų123.667%0.66968%0.682SS**  trans-59.9139.8161.8-9.725000107.5S786 D790S786-P788 WeakPolarHBondContact O-CD 3.39Å; P788-D790 PolarHBondContact O-N 3.19Å
789N38.2Very low43.2Very low152 Ų152131.1 Ų131.181%0.81371%0.708SS**  trans-59.383.8169.8-85.4-28.4000110.2K791N789-K791 PolarHBondContact O-N 2.97Å
790D32.2Very low41.2Very low154 Ų154139.6 Ų139.682%0.82474%0.736SS**  trans-93.170154-83-19000107.5P788P788-D790 PolarHBondContact O-N 3.19Å
791K35.4Very low39.2Very low179 Ų179143.7 Ų143.778%0.77875%0.747SS**  trans-9286.1147.9-77.7-172.7177.7-178.90105.7N789N789-K791 PolarHBondContact O-N 2.97Å
792D34.4Very low37.2Very low142 Ų142144.7 Ų144.776%0.75976%0.762SS**SBend170.6138.9128.4-79.7-23.7000109.5
793I32.1Very low35.7Very low162 Ų162145 Ų14583%0.83177%0.774SS**  trans83.783.5171.7-44.8164.5000115.6
794M26Very low34.4Very low179 Ų179155.5 Ų155.588%0.88280%0.802SS**  175.4125.198.1-117.9179.3101.300111.9
795S30.7Very low33.1Very low115 Ų115152.2 Ų152.280%0.80481%0.807SS**  trans-59146.7165.2-58.30000112.7
796G36.2Very low32Very low70 Ų70152.6 Ų152.672%0.72281%0.809SS**SBendtrans83.1136.1150.500000116.5
797D31Very low31.3Very low162 Ų162156.2 Ų156.287%0.86682%0.82SS**  trans71.476164.5-63.7-18.5000119.2
798M28.4Very low30.8Very low178 Ų178157.4 Ų157.488%0.87783%0.827SS**  trans-159.445.5138.6-116.2-171.6-153.100114.8R800M798-R800 VanDerWaalsContact C-N 3.34Å; M798-R800 PolarHBondContact O-N 3.31Å
799Y29.3Very low30.4Very low244 Ų244158.7 Ų158.796%0.95783%0.827SS**SBendtrans-96.952.3163.2-117.6-85.9000110.7
800R28.7Very low29.8Very low234 Ų234159 Ų15988%0.88383%0.829SS**SBendtrans-164.251.2177.2-126.6-178.3-162-169.67.1115.1M798M798-R800 VanDerWaalsContact C-N 3.34Å; M798-R800 PolarHBondContact O-N 3.31Å
801R29Very low29.6Very low244 Ų244158.8 Ų158.892%0.92183%0.828SS**  trans-163.986.9161.9-114.1168.7-173-174.12.3111.1
802G27.5Very low29.2Very low75 Ų75161.3 Ų161.377%0.77383%0.833SS**SBendtrans-174.735.617800000112.3
803S29.6Very low28.9Very low120 Ų120165.6 Ų165.684%0.83984%0.838SS**  trans-154.877.5174.3-78.80000107.8
804R28.9Very low28.8Very low256 Ų256163.3 Ų163.397%0.96683%0.834SS**  trans-167.787.3163.8-111.3175.6-173.4-172.72.1110
805A27.3Very low29.2Very low102 Ų102160.2 Ų160.284%0.84383%0.827SS**  trans-165.550.6143.800000109.2
806V28.5Very low29.3Very low125 Ų125162.4 Ų162.476%0.75883%0.83SS**  trans-89.4111.7156.6175.70000104.9L808V806-L808 HydrophobicContact CG1-CG 4.44Å; V806-L808 PolarHBondContact O-N 3.31Å
807I27.9Very low28.9Very low160 Ų160167.4 Ų167.482%0.82184%0.839SS**  trans-67.691.3170.3-63.9173.9000106.4L809I807-L809 PolarHBondContact O-N 3.18Å
808L27.1Very low28.9Very low150 Ų150169.1 Ų169.179%0.78584%0.839SS**  trans-70.4105.8167.4-86.9158.1000107.9V806 N810V806-L808 HydrophobicContact CG1-CG 4.44Å; V806-L808 PolarHBondContact O-N 3.31Å; L808-N810 PolarHBondContact O-N 2.9Å
809L29.2Very low28.9Very low129 Ų129170.6 Ų170.668%0.67584%0.84SS**  trans-60.8119.4156.1-85.5153.9000107.7I807 D811I807-L809 PolarHBondContact O-N 3.18Å; L809-D811 PolarHBondContact O-N 3.35Å
810N26.1Very low29Very low159 Ų159165.3 Ų165.385%0.8583%0.833SS**  trans-53.8112.5176.6-123.9-9.3000110.3L808L808-N810 PolarHBondContact O-N 2.9Å
811D28.2Very low29.2Very low149 Ų149159.3 Ų159.380%0.79782%0.824SS**  trans-116.2101.2169.4-144.25.7000108.5L809 R813L809-D811 PolarHBondContact O-N 3.35Å; D811-R813 PolarHBondContact O-N 3.29Å; D811-R813 VanDerWaalsContact O-N 3.13Å
812R27.8Very low29.6Very low232 Ų232156.5 Ų156.588%0.87582%0.819SS**  trans-69.8102.8169.8-78.2-174-177-172.61.4107.6
813R27.9Very low29.8Very low233 Ų233160.5 Ų160.588%0.87982%0.822SS**PPolyproline II helixtrans-69.6130.9161.2-88.1-172.2-101.8-169-7.3110.2D811D811-R813 PolarHBondContact O-N 3.29Å; D811-R813 VanDerWaalsContact O-N 3.13Å
814P30Very low30.2Very low113 Ų113164.7 Ų164.773%0.73482%0.822SS**PPolyproline II helixtrans-81.5152.5154.531-28.2000110.5
815P34.3Very low30.5Very low114 Ų114162.8 Ų162.874%0.7484%0.839SS**SBendtrans-83.9124.7179.633.2-28.7000109.5
816N31.5Very low30.7Very low161 Ų161165.9 Ų165.986%0.86184%0.838SS**  trans161.397.1144.8-87.1-33000110
817L29.6Very low30.8Very low175 Ų175168 Ų16892%0.91684%0.843SS**  trans-137.2107.2156.8-98.5153000107.6
818K29.8Very low31Very low199 Ų199168.4 Ų168.487%0.86584%0.844SS**PPolyproline II helixtrans-56.7131.1176.2-75.5176.6174178.40109.6V820K818-V820 PolarHBondContact O-N 3.22Å
819K29.1Very low31.2Very low208 Ų208169.5 Ų169.590%0.90485%0.847SS**PPolyproline II helixtrans-60.9122.1162.5-74.1177.6175.6177.70108.4
820V31.8Very low31.3Very low133 Ų133172.1 Ų172.181%0.80686%0.858SS**PPolyproline II helixtrans-95.9126.3161.8179.90000106.8K818K818-V820 PolarHBondContact O-N 3.22Å
821P32.8Very low31.7Very low108 Ų108172.9 Ų172.970%0.70186%0.859SS**PPolyproline II helixtrans-73.7142.7-177.128.4-31000111.3N823P821-N823 PolarHBondContact O-N 2.67Å
822K36.2Very low31.9Very low185 Ų185174.6 Ų174.680%0.80486%0.863SS**PPolyproline II helixtrans-65.3117.1164.7-70.3178.3175.2-178.70108.2
823N31.9Very low32.2Very low159 Ų159170.2 Ų170.285%0.8586%0.862SS**  trans-112.7123152.9-87.8-3.8000108.3P821P821-N823 PolarHBondContact O-N 2.67Å
824Y37.5Very low32.6Very low209 Ų209165 Ų16582%0.8286%0.861SS**  trans-72.8127.1165.2-84.3-94.1000108.9
825T36.8Very low32.8Very low216 Ų216169.7 Ų169.7100%1.32587%0.872SS**  trans-155.90134.842.60000107

Retrieved 825 of 825 residues in 246.8 ms (Link to these results)

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