A0A087Y8L2_POEFO Loading...

DNA-directed RNA polymerases I and III subunit RPAC1

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Common component of RNA polymerases I and III which synthesize ribosomal RNA precursors and short non-coding RNAs including 5S rRNA, snRNAs, tRNAs and miRNAs, respectively. POLR1C/RPAC1 is part of the polymerase core and may function as a clamp element that moves to open and close the cleft.

AlphaFold DB , UniProt , Accession A0A087Y8L2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low69.2Low247 Ų24793.6 Ų93.6100%1.21754%0.54SS*.  0121.10-72.3-179.6-16900107.2A3M1-A3 PolarHBondContact O-N 3.17Å
2A43.9Very low71.2Confident104 Ų10488 Ų8886%0.8650%0.503SS*.PPolyproline II helixtrans-61.8129.6178.700000109.4
3A46.6Very low72.9Confident49 Ų4983.2 Ų83.241%0.40548%0.478SS..PPolyproline II helixtrans-60.4139.9172.300000108.9M1 N7 V8M1-A3 PolarHBondContact O-N 3.17Å; A3-N7 HydrophobicContact CB-CB 4.44Å; A3-V8 HydrophobicContact CB-CG2 4.17Å
4P62.6Low74.6Confident85 Ų8581.5 Ų81.555%0.55246%0.46SS*.PPolyproline II helixtrans-57.5143.917521.9-29.7000110S6 N7 V8P4-S6 PolarHBondContact O-N 3.34Å; P4-N7 HydrophobicContact CG-CB 4.02Å; P4-N7 WeakPolarHBondContact O-CB 3.07Å; P4-N7 PolarHBondContact O-N 3.34Å; P4-V8 PolarHBondContact O-N 2.89Å
5M62.8Low76Confident164 Ų16477.1 Ų77.181%0.80844%0.436SS*.Hα-helixtrans-52.6-33.8-174.4-79.4-172.7170.600113.5N7 V8 E9M5-N7 VanDerWaalsContact C-N 3.29Å; M5-N7 PolarHBondContact O-N 3.16Å; M5-V8 PolarHBondContact O-N 2.9Å; M5-E9 PolarHBondContact O-N 3.43Å; M5-E9 VanDerWaalsContact O-N 3.15Å
6S67.4Low77.3Confident93 Ų9373.7 Ų73.765%0.6542%0.416SS*.Hα-helixtrans-62.4-33.3175.654.70000113.7P4 E10P4-S6 PolarHBondContact O-N 3.34Å; S6-E10 PolarHBondContact O-N 2.82Å
7N82.3Confident78.4Confident70 Ų7070.3 Ų70.337%0.37440%0.396SS..Hα-helixtrans-77.2-30.6178.2-160.522000111.1A3 P4 M5 I11A3-N7 HydrophobicContact CB-CB 4.44Å; P4-N7 HydrophobicContact CG-CB 4.02Å; P4-N7 WeakPolarHBondContact O-CB 3.07Å; P4-N7 PolarHBondContact O-N 3.34Å; M5-N7 VanDerWaalsContact C-N 3.29Å; M5-N7 PolarHBondContact O-N 3.16Å; N7-I11 VanDerWaalsContact O-CD1 3.31Å; N7-I11 WeakPolarHBondContact O-CD1 3.49Å; N7-I11 WeakPolarHBondContact O-CG1 3.35Å; N7-I11 PolarHBondContact O-N 3.11Å; N7-I11 VanDerWaalsContact O-N 3.14Å
8V87.8Confident79.3Confident25 Ų2567.6 Ų67.615%0.15239%0.386CS..Hα-helixtrans-67.3-44.7175.4178.90000110.9A3 P4 M5 E10 I11 R12 Y34 F37A3-V8 HydrophobicContact CB-CG2 4.17Å; P4-V8 PolarHBondContact O-N 2.89Å; M5-V8 PolarHBondContact O-N 2.9Å; V8-E10 VanDerWaalsContact C-N 3.31Å; V8-E10 PolarHBondContact O-N 3.31Å; V8-I11 PolarHBondContact O-N 3.31Å; V8-R12 VanDerWaalsContact O-CG 3.31Å; V8-R12 WeakPolarHBondContact O-CG 3.25Å; V8-R12 PolarHBondContact O-N 2.69Å; V8-R12 VanDerWaalsContact O-N 3.12Å; V8-Y34 HydrophobicContact CG1-CD1 3.43Å; V8-Y34 VanDerWaalsContact CG1-CD1 3.43Å; V8-Y34 HydrophobicContact CG1-CE1 3.71Å; V8-Y34 HydrophobicContact CG1-CG 4.21Å; V8-F37 HydrophobicContact CG1-CE2 3.93Å
9E88.3Confident80Confident95 Ų9568.3 Ų68.344%0.44439%0.386SS..Hα-helixtrans-60.3-41.2178.2-166.763.2-160.900111.9M5 R12 S13M5-E9 PolarHBondContact O-N 3.43Å; M5-E9 VanDerWaalsContact O-N 3.15Å; E9-R12 PolarHBondContact O-N 2.83Å; E9-S13 WeakPolarHBondContact O-CB 3.48Å; E9-S13 PolarHBondContact O-N 2.71Å; E9-S13 PolarHBondContact O-OG 2.94Å
10E91Very high80.8Confident47 Ų4774.4 Ų74.422%0.2241%0.408CS..Hα-helixtrans-64.2-43.6176.1-178.2179.1171.400112.3S6 V8 R12 S13 R14 I16 K303S6-E10 PolarHBondContact O-N 2.82Å; V8-E10 VanDerWaalsContact C-N 3.31Å; V8-E10 PolarHBondContact O-N 3.31Å; E10-R12 PolarHBondContact O-N 3.45Å; E10-S13 PolarHBondContact O-N 2.92Å; E10-R14 HydrophobicContact CG-CB 4.22Å; E10-R14 PolarHBondContact O-N 3.25Å; E10-I16 HydrophobicContact CG-CD1 4.32Å; E10-I16 HydrophobicContact CG-CG1 4.46Å; E10-I16 VanDerWaalsContact OE1-CD1 3.31Å; E10-I16 WeakPolarHBondContact OE1-CD1 3.19Å; E10-I16 WeakPolarHBondContact OE1-CG1 3.46Å; E10-K303 WeakPolarHBondContact OE1-CE 3.46Å; E10-K303 IonicContact OE1-NZ 2.84Å; E10-K303 PolarHBondContact OE1-NZ 3.22Å; E10-K303 IonicContact OE2-NZ 3.98Å; E10-K303 PolarHBondContact OE2-NZ 2.91Å
11I92.1Very high81.4Confident51 Ų5172.4 Ų72.426%0.26241%0.405SS..Hα-helixtrans-60.1-34.3178-68.4163.3000111.3N7 V8 R308N7-I11 VanDerWaalsContact O-CD1 3.31Å; N7-I11 WeakPolarHBondContact O-CD1 3.49Å; N7-I11 WeakPolarHBondContact O-CG1 3.35Å; N7-I11 PolarHBondContact O-N 3.11Å; N7-I11 VanDerWaalsContact O-N 3.14Å; V8-I11 PolarHBondContact O-N 3.31Å; I11-R308 PolarHBondContact O-NH1 3.32Å; I11-R308 PolarHBondContact O-NH2 2.98Å
12R92.9Very high84.3Confident26 Ų2663.6 Ų63.610%0.09837%0.365CS..Hα-helixtrans-85.3-29.3-177-67.917773-141.62.4114.4V8 E9 E10 Y34 D39 R308V8-R12 VanDerWaalsContact O-CG 3.31Å; V8-R12 WeakPolarHBondContact O-CG 3.25Å; V8-R12 PolarHBondContact O-N 2.69Å; V8-R12 VanDerWaalsContact O-N 3.12Å; E9-R12 PolarHBondContact O-N 2.83Å; E10-R12 PolarHBondContact O-N 3.45Å; R12-Y34 VanDerWaalsContact CD-CD2 3.48Å; R12-Y34 VanDerWaalsContact CD-CE2 3.43Å; R12-Y34 HydrophobicContact CG-CD2 4Å; R12-Y34 HydrophobicContact CG-CE1 3.99Å; R12-Y34 HydrophobicContact CG-CE2 3.37Å; R12-D39 IonicContact CZ-OD1 2.74Å; R12-D39 IonicContact CZ-OD2 3.79Å; R12-D39 IonicContact NE-OD2 2.67Å; R12-D39 IonicContact NH2-OD1 2.75Å; R12-D39 PolarHBondContact NH2-OD1 2.77Å; R12-D39 IonicContact NH2-OD2 3.44Å; R12-D39 PolarHBondContact NH2-OD2 2.88Å; R12-R308 VanDerWaalsContact C-NH1 3.28Å; R12-R308 PolarHBondContact O-NH1 2.74Å
13S94.1Very high86.7Confident25 Ų2565.2 Ų65.218%0.17535%0.353CS..Hα-helixtrans-113.2-18-169.866.40000114.3E9 E10 R308E9-S13 WeakPolarHBondContact O-CB 3.48Å; E9-S13 PolarHBondContact O-N 2.71Å; E9-S13 PolarHBondContact O-OG 2.94Å; E10-S13 PolarHBondContact O-N 2.92Å; S13-R308 WeakPolarHBondContact O-CB 3.34Å; S13-R308 PolarHBondContact O-N 3.44Å; S13-R308 VanDerWaalsContact O-N 3.14Å
14R95.9Very high89Confident60 Ų6065 Ų6523%0.22635%0.345CS..EExtended strand (participates in β ladder)trans-127133.1-173.4-60.2-58.6-175.4-98.96.7112.8E10 I16 N24 E243 R306E10-R14 HydrophobicContact CG-CB 4.22Å; E10-R14 PolarHBondContact O-N 3.25Å; R14-I16 HydrophobicContact CB-CD1 3.89Å; R14-N24 WeakPolarHBondContact O-CB 3.48Å; R14-N24 PolarHBondContact O-ND2 3.48Å; R14-E243 WeakPolarHBondContact CD-OE2 3.47Å; R14-E243 IonicContact CZ-OE1 2.71Å; R14-E243 IonicContact CZ-OE2 3.9Å; R14-E243 VanDerWaalsContact NE-CD 3.26Å; R14-E243 IonicContact NE-OE1 3.21Å; R14-E243 PolarHBondContact NE-OE1 2.92Å; R14-E243 IonicContact NE-OE2 3.9Å; R14-E243 PolarHBondContact NE-OE2 3.36Å; R14-E243 IonicContact NH2-OE1 3.83Å; R14-E243 PolarHBondContact NH2-OE1 3.16Å; R14-E243 IonicContact NH2-OE2 2.68Å; R14-R306 WeakPolarHBondContact CA-O 3.45Å
15V96.6Very high90.6Very high16 Ų1665 Ų6510%0.09734%0.343CS..EExtended strand (participates in β ladder)trans-92.9118.7166.5-175.60000107.7V22 L240 G305 R306V15-V22 HydrophobicContact CG1-CG1 3.39Å; V15-L240 HydrophobicContact CG2-CD1 3.98Å; V15-G305 CarbonylContact O-C 3.54Å; V15-G305 VanDerWaalsContact O-CA 3.24Å; V15-G305 WeakPolarHBondContact O-CA 3.21Å; V15-R306 HydrophobicContact CB-CB 4.23Å; V15-R306 PolarHBondContact N-O 3.2Å; V15-R306 PolarHBondContact O-N 2.86Å
16I96.4Very high92.1Very high22 Ų2263.9 Ų63.911%0.11334%0.336CS..EExtended strand (participates in β ladder)trans-100.5130.2-171.3-58-60.6000110.8E10 R14 V22 K23E10-I16 HydrophobicContact CG-CD1 4.32Å; E10-I16 HydrophobicContact CG-CG1 4.46Å; E10-I16 VanDerWaalsContact OE1-CD1 3.31Å; E10-I16 WeakPolarHBondContact OE1-CD1 3.19Å; E10-I16 WeakPolarHBondContact OE1-CG1 3.46Å; R14-I16 HydrophobicContact CB-CD1 3.89Å; I16-V22 CarbonylContact O-C 3.56Å; I16-V22 WeakPolarHBondContact O-CA 3.1Å; I16-V22 WeakPolarHBondContact O-CG1 3.41Å; I16-K23 HydrophobicContact CB-CB 4.35Å; I16-K23 PolarHBondContact N-O 3.38Å; I16-K23 PolarHBondContact O-N 3Å
17L95.9Very high93.3Very high16 Ų1661.2 Ų61.28%0.08432%0.316CS..EExtended strand (participates in β ladder)trans-96.3101.8178.9-75.673.8000109.2C288 L304 R306L17-C288 HydrophobicContact CD2-CB 3.91Å; L17-L304 HydrophobicContact CB-CB 3.93Å; L17-L304 PolarHBondContact N-O 2.69Å; L17-R306 HydrophobicContact CD1-CG 3.74Å
18G93.6Very high93.9Very high21 Ų2159.3 Ų59.322%0.21631%0.306CS..  trans-86.3176.2169.800000112.6G21 R290G18-G21 CarbonylContact C-O 3.4Å; G18-G21 VanDerWaalsContact CA-O 3.25Å; G18-G21 WeakPolarHBondContact CA-O 3.49Å; G18-G21 PolarHBondContact N-O 3.34Å; G18-R290 PolarHBondContact O-NH1 3.08Å
19E93.9Very high94Very high81 Ų8161.7 Ų61.738%0.37932%0.318SS..SBendtrans-65.2-50.4178.2-176.7-178.2-171.200111.4L293 K299E19-L293 HydrophobicContact CB-CB 4.44Å; E19-L293 HydrophobicContact CB-CD1 4.14Å; E19-L293 HydrophobicContact CG-CB 4.49Å; E19-K299 VanDerWaalsContact OE2-CE 3.26Å; E19-K299 WeakPolarHBondContact OE2-CE 3.09Å; E19-K299 IonicContact OE2-NZ 3.81Å; E19-K299 PolarHBondContact OE2-NZ 3.11Å
20F94.8Very high94.3Very high190 Ų19062.6 Ų62.683%0.83332%0.321SS*.SBendtrans-94.7-9-174.6-52.9-64.9000114.1
21G94.4Very high94.4Very high34 Ų3464.2 Ų64.235%0.35134%0.335SS..  trans-177.8167.7-173.300000113.8G18G18-G21 CarbonylContact C-O 3.4Å; G18-G21 VanDerWaalsContact CA-O 3.25Å; G18-G21 WeakPolarHBondContact CA-O 3.49Å; G18-G21 PolarHBondContact N-O 3.34Å
22V96.6Very high94.3Very high61 Ų6165.5 Ų65.537%0.3736%0.362SS..EExtended strand (participates in β ladder)trans-100.5133.9177.1-172.60000108.6V15 I16 V25V15-V22 HydrophobicContact CG1-CG1 3.39Å; I16-V22 CarbonylContact O-C 3.56Å; I16-V22 WeakPolarHBondContact O-CA 3.1Å; I16-V22 WeakPolarHBondContact O-CG1 3.41Å; V22-V25 HydrophobicContact CB-CG1 4.02Å; V22-V25 HydrophobicContact CG1-CG1 3.73Å
23K95.7Very high94.3Very high139 Ų13968.5 Ų68.560%0.60438%0.379SS*.EExtended strand (participates in β ladder)trans-107.9158.9178.7-60.2-179-178.8179.90110.2I16 V25I16-K23 HydrophobicContact CB-CB 4.35Å; I16-K23 PolarHBondContact N-O 3.38Å; I16-K23 PolarHBondContact O-N 3Å; K23-V25 PolarHBondContact O-N 3.46Å
24N94.9Very high94.2Very high45 Ų4569.2 Ų69.224%0.24138%0.379CS..  trans58.744.6177.3-49-20.3000112.8R14 R308R14-N24 WeakPolarHBondContact O-CB 3.48Å; R14-N24 PolarHBondContact O-ND2 3.48Å; N24-R308 PolarHBondContact O-NH2 3.46Å
25V94.7Very high93.8Very high84 Ų8472.2 Ų72.251%0.50941%0.406SS..  trans-78.2-21.8-175.4-62.60000113.9V22 K23V22-V25 HydrophobicContact CB-CG1 4.02Å; V22-V25 HydrophobicContact CG1-CG1 3.73Å; K23-V25 PolarHBondContact O-N 3.46Å
26H94.4Very high93.4Very high141 Ų14175.4 Ų75.465%0.65344%0.442SS*.SBendtrans-90.8144.7-177.1-58.1-64.4000111.5T28 R308H26-T28 HydrophobicContact CB-CG2 4.49Å; H26-R308 VanDerWaalsContact O-CZ 3.24Å; H26-R308 PolarHBondContact O-NH1 2.87Å; H26-R308 PolarHBondContact O-NH2 2.98Å
27T93.7Very high93.1Very high37 Ų3778.1 Ų78.123%0.22745%0.453CS..  trans-68.1130.6163.7-58.10000108.6D29 F30 D70T27-D29 WeakPolarHBondContact CG2-OD1 3.31Å; T27-F30 HydrophobicContact CG2-CE2 4Å; T27-F30 HydrophobicContact CG2-CZ 4Å; T27-D70 VanDerWaalsContact CG2-OD1 3.22Å; T27-D70 WeakPolarHBondContact CG2-OD1 3.21Å; T27-D70 PolarHBondContact OG1-OD1 3.04Å
28T93.6Very high92.9Very high30 Ų3082.5 Ų82.518%0.18448%0.477CS..  trans-134.3-2.7-172.555.70000113.8H26 F30 N33 Y34H26-T28 HydrophobicContact CB-CG2 4.49Å; T28-F30 PolarHBondContact O-N 3.4Å; T28-N33 WeakPolarHBondContact O-CB 3.43Å; T28-N33 PolarHBondContact O-ND2 2.95Å; T28-Y34 VanDerWaalsContact CB-OH 3.28Å; T28-Y34 WeakPolarHBondContact CB-OH 3.42Å; T28-Y34 VanDerWaalsContact O-CE2 3.25Å; T28-Y34 WeakPolarHBondContact O-CE2 3.31Å; T28-Y34 PolarHBondContact OG1-OH 2.86Å
29D91.4Very high92.9Very high75 Ų7582.3 Ų82.340%0.40147%0.471SS..  trans-75.455.7175.555.2-34.2000112.1T27 D39T27-D29 WeakPolarHBondContact CG2-OD1 3.31Å; D29-D39 WeakPolarHBondContact CA-OD2 3.35Å
30F93.4Very high92.9Very high113 Ų11382 Ų8250%0.49648%0.475SS..SBendtrans-109.3149.5172.1-60.9-71000110.3T27 T28 G32 N33T27-F30 HydrophobicContact CG2-CE2 4Å; T27-F30 HydrophobicContact CG2-CZ 4Å; T28-F30 PolarHBondContact O-N 3.4Å; F30-G32 PolarHBondContact O-N 3.28Å; F30-N33 WeakPolarHBondContact O-CB 3.34Å; F30-N33 PolarHBondContact O-N 3.44Å
31P93.5Very high93Very high81 Ų8181.9 Ų81.953%0.52647%0.469SS..THydrogen-bonded Turntrans-60.8131.8-176.423.6-32.1000111.1D39 T40P31-D39 WeakPolarHBondContact CD-O 3.44Å; P31-T40 HydrophobicContact CB-CG2 3.99Å
32G90.9Very high93Very high79 Ų7983.9 Ų83.981%0.81447%0.472SS*.THydrogen-bonded Turntrans92.2-8.4-179.600000115.5F30F30-G32 PolarHBondContact O-N 3.28Å
33N91.7Very high93Very high88 Ų8885.4 Ų85.447%0.47148%0.476SS..SBendtrans-75.5-30.9-179.9-76.2-10.9000113.9T28 F30T28-N33 WeakPolarHBondContact O-CB 3.43Å; T28-N33 PolarHBondContact O-ND2 2.95Å; F30-N33 WeakPolarHBondContact O-CB 3.34Å; F30-N33 PolarHBondContact O-N 3.44Å
34Y91.3Very high93Very high40 Ų4086.6 Ų86.616%0.15748%0.481CS..SBendtrans-130131-175.9-62.9-79.4000112.3V8 R12 T28V8-Y34 HydrophobicContact CG1-CD1 3.43Å; V8-Y34 VanDerWaalsContact CG1-CD1 3.43Å; V8-Y34 HydrophobicContact CG1-CE1 3.71Å; V8-Y34 HydrophobicContact CG1-CG 4.21Å; R12-Y34 VanDerWaalsContact CD-CD2 3.48Å; R12-Y34 VanDerWaalsContact CD-CE2 3.43Å; R12-Y34 HydrophobicContact CG-CD2 4Å; R12-Y34 HydrophobicContact CG-CE1 3.99Å; R12-Y34 HydrophobicContact CG-CE2 3.37Å; T28-Y34 VanDerWaalsContact CB-OH 3.28Å; T28-Y34 WeakPolarHBondContact CB-OH 3.42Å; T28-Y34 VanDerWaalsContact O-CE2 3.25Å; T28-Y34 WeakPolarHBondContact O-CE2 3.31Å; T28-Y34 PolarHBondContact OG1-OH 2.86Å
35P89Confident93Very high123 Ų12390 Ų9080%0.79949%0.491SS*.THydrogen-bonded Turntrans-70.1133.1174.229-32.8000110.3
36G88.5Confident93Very high84 Ų8488.9 Ų88.987%0.86648%0.479SS*.THydrogen-bonded Turntrans85.82.3177.300000115.5
37F90.1Very high93.1Very high78 Ų7888.4 Ų88.434%0.34248%0.477SS..  trans-113.7137.4171.9-67.8-80000110.8V8V8-F37 HydrophobicContact CG1-CE2 3.93Å
38D91.6Very high93.2Very high108 Ų10895.3 Ų95.358%0.57850%0.504SS*.  trans-100.3104.6169.4-173.84.1000109.1T40 R45D38-T40 WeakPolarHBondContact OD1-CB 3.4Å; D38-T40 WeakPolarHBondContact OD1-CG2 3.48Å; D38-T40 PolarHBondContact OD1-N 2.64Å; D38-T40 VanDerWaalsContact OD1-N 3.09Å; D38-T40 PolarHBondContact OD1-OG1 2.84Å; D38-R45 PolarHBondContact O-NH1 3.02Å
39D92.8Very high93.3Very high17 Ų1798 Ų989%0.09152%0.517CS..  trans-108.921179.7-67.6-21.6000111.3R12 D29 P31R12-D39 IonicContact CZ-OD1 2.74Å; R12-D39 IonicContact CZ-OD2 3.79Å; R12-D39 IonicContact NE-OD2 2.67Å; R12-D39 IonicContact NH2-OD1 2.75Å; R12-D39 PolarHBondContact NH2-OD1 2.77Å; R12-D39 IonicContact NH2-OD2 3.44Å; R12-D39 PolarHBondContact NH2-OD2 2.88Å; D29-D39 WeakPolarHBondContact CA-OD2 3.35Å; P31-D39 WeakPolarHBondContact CD-O 3.44Å
40T94.5Very high93.6Very high74 Ų7497.4 Ų97.445%0.45451%0.511SS..SBendtrans-65.7152.9169.758.70000111P31 D38 D42P31-T40 HydrophobicContact CB-CG2 3.99Å; D38-T40 WeakPolarHBondContact OD1-CB 3.4Å; D38-T40 WeakPolarHBondContact OD1-CG2 3.48Å; D38-T40 PolarHBondContact OD1-N 2.64Å; D38-T40 VanDerWaalsContact OD1-N 3.09Å; D38-T40 PolarHBondContact OD1-OG1 2.84Å; T40-D42 PolarHBondContact O-N 2.91Å
41W95.4Very high93.8Very high188 Ų18898.6 Ų98.671%0.71251%0.512SS*.  trans-67119.4-179.1177-105000111M43 F46W41-M43 HydrophobicContact CZ2-CE 4Å; W41-M43 HydrophobicContact CZ2-SD 4.4Å; W41-F46 HydrophobicContact CH2-CB 4.29Å; W41-F46 HydrophobicContact CH2-CD1 4.47Å; W41-F46 HydrophobicContact CH2-CD2 4.38Å; W41-F46 HydrophobicContact CH2-CG 4.12Å
42D95.9Very high93.9Very high77 Ų7798.6 Ų98.641%0.41251%0.507SS..  trans-129.6112.3173.6178.15.7000110.6T40 K44 R45 F46T40-D42 PolarHBondContact O-N 2.91Å; D42-K44 VanDerWaalsContact C-N 3.3Å; D42-K44 PolarHBondContact O-N 3.45Å; D42-K44 WeakPolarHBondContact OD1-CB 3.5Å; D42-K44 PolarHBondContact OD1-N 2.85Å; D42-R45 HydrophobicContact CB-CB 3.93Å; D42-R45 PolarHBondContact O-N 2.83Å; D42-F46 PolarHBondContact O-N 3.29Å
43M95.1Very high94.2Very high93 Ų9397.9 Ų97.946%0.45849%0.485SS..Hα-helixtrans-59.8-37.3178.3-176.662.174.400112.6W41 F46 Q47W41-M43 HydrophobicContact CZ2-CE 4Å; W41-M43 HydrophobicContact CZ2-SD 4.4Å; M43-F46 PolarHBondContact O-N 3.25Å; M43-F46 HydrophobicContact SD-CD1 4.43Å; M43-Q47 HydrophobicContact CG-CG 4.43Å; M43-Q47 WeakPolarHBondContact O-CB 3.37Å; M43-Q47 WeakPolarHBondContact O-CG 3.49Å; M43-Q47 PolarHBondContact O-N 3.3Å; M43-Q47 HydrophobicContact SD-CG 4.29Å
44K96.3Very high94.5Very high164 Ų16497.7 Ų97.771%0.71349%0.486SS*.Hα-helixtrans-70-40.4-178.6-66.9-178.8-179.2176.10111D42 K48D42-K44 VanDerWaalsContact C-N 3.3Å; D42-K44 PolarHBondContact O-N 3.45Å; D42-K44 WeakPolarHBondContact OD1-CB 3.5Å; D42-K44 PolarHBondContact OD1-N 2.85Å; K44-K48 WeakPolarHBondContact O-CB 3.46Å; K44-K48 PolarHBondContact O-N 2.95Å
45R94.7Very high94.8Very high117 Ų11799.6 Ų99.644%0.44250%0.502SS..Hα-helixtrans-61.4-44.7173.4-178.8178.4170.8-173.6-5.7111D38 D42 K48 N49D38-R45 PolarHBondContact O-NH1 3.02Å; D42-R45 HydrophobicContact CB-CB 3.93Å; D42-R45 PolarHBondContact O-N 2.83Å; R45-K48 PolarHBondContact O-N 3.42Å; R45-N49 VanDerWaalsContact O-CG 3.32Å; R45-N49 PolarHBondContact O-N 3.17Å; R45-N49 PolarHBondContact O-ND2 3.5Å
46F95.5Very high95.1Very high59 Ų5997.6 Ų97.626%0.25948%0.482SS..Hα-helixtrans-60.4-52.6176.3177.1-104.2000111.8W41 D42 M43 K48 N49 F50 G68W41-F46 HydrophobicContact CH2-CB 4.29Å; W41-F46 HydrophobicContact CH2-CD1 4.47Å; W41-F46 HydrophobicContact CH2-CD2 4.38Å; W41-F46 HydrophobicContact CH2-CG 4.12Å; D42-F46 PolarHBondContact O-N 3.29Å; M43-F46 PolarHBondContact O-N 3.25Å; M43-F46 HydrophobicContact SD-CD1 4.43Å; F46-K48 VanDerWaalsContact C-N 3.27Å; F46-K48 PolarHBondContact O-N 3.11Å; F46-N49 PolarHBondContact O-N 3.48Å; F46-N49 VanDerWaalsContact O-N 3.14Å; F46-F50 HydrophobicContact CE1-CB 4.35Å; F46-F50 HydrophobicContact CE1-CG 4.42Å; F46-F50 HydrophobicContact CE2-CB 4.29Å; F46-F50 HydrophobicContact CE2-CD2 4.21Å; F46-F50 HydrophobicContact CE2-CG 4.45Å; F46-F50 HydrophobicContact CZ-CB 4.14Å; F46-F50 AromaticContact CZ-CD2 3.93Å; F46-F50 HydrophobicContact CZ-CD2 3.93Å; F46-F50 HydrophobicContact CZ-CG 4Å; F46-F50 VanDerWaalsContact O-CB 3.27Å; F46-F50 WeakPolarHBondContact O-CB 3.29Å; F46-F50 PolarHBondContact O-N 3.4Å; F46-G68 WeakPolarHBondContact CE2-O 3.36Å
47Q95.4Very high95.5Very high132 Ų13298 Ų9862%0.61746%0.463SS*.Hα-helixtrans-60.2-34.6-179.7-74.2176.9-10.700113.5M43M43-Q47 HydrophobicContact CG-CG 4.43Å; M43-Q47 WeakPolarHBondContact O-CB 3.37Å; M43-Q47 WeakPolarHBondContact O-CG 3.49Å; M43-Q47 PolarHBondContact O-N 3.3Å; M43-Q47 HydrophobicContact SD-CG 4.29Å
48K96.3Very high95.7Very high181 Ų18198.6 Ų98.679%0.78747%0.47SS*.Hα-helixtrans-70.4-36.1177.9-177.4180175.7-175.40112.7K44 R45 F46K44-K48 WeakPolarHBondContact O-CB 3.46Å; K44-K48 PolarHBondContact O-N 2.95Å; R45-K48 PolarHBondContact O-N 3.42Å; F46-K48 VanDerWaalsContact C-N 3.27Å; F46-K48 PolarHBondContact O-N 3.11Å
49N95.6Very high95.7Very high86 Ų86101.5 Ų101.546%0.4648%0.48SS..Hα-helixtrans-90.5-28.6-174.7-67.2-10.3000112.5R45 F46 R51R45-N49 VanDerWaalsContact O-CG 3.32Å; R45-N49 PolarHBondContact O-N 3.17Å; R45-N49 PolarHBondContact O-ND2 3.5Å; F46-N49 PolarHBondContact O-N 3.48Å; F46-N49 VanDerWaalsContact O-N 3.14Å; N49-R51 PolarHBondContact O-N 2.91Å
50F97.5Very high95.9Very high63 Ų63104 Ų10428%0.27649%0.494SS..  trans-70.2127.7-177.6-176.5-104.7000111.4F46 I52 M66 V67 I69F46-F50 HydrophobicContact CE1-CB 4.35Å; F46-F50 HydrophobicContact CE1-CG 4.42Å; F46-F50 HydrophobicContact CE2-CB 4.29Å; F46-F50 HydrophobicContact CE2-CD2 4.21Å; F46-F50 HydrophobicContact CE2-CG 4.45Å; F46-F50 HydrophobicContact CZ-CB 4.14Å; F46-F50 AromaticContact CZ-CD2 3.93Å; F46-F50 HydrophobicContact CZ-CD2 3.93Å; F46-F50 HydrophobicContact CZ-CG 4Å; F46-F50 VanDerWaalsContact O-CB 3.27Å; F46-F50 WeakPolarHBondContact O-CB 3.29Å; F46-F50 PolarHBondContact O-N 3.4Å; F50-I52 HydrophobicContact CE1-CD1 3.92Å; F50-I52 HydrophobicContact CE1-CG1 3.89Å; F50-I52 HydrophobicContact CZ-CD1 3.78Å; F50-I52 HydrophobicContact CZ-CG1 3.7Å; F50-M66 HydrophobicContact CE2-CE 4.06Å; F50-M66 HydrophobicContact CZ-CE 4.03Å; F50-V67 WeakPolarHBondContact CA-O 3.44Å; F50-V67 WeakPolarHBondContact CD2-O 3.27Å; F50-I69 HydrophobicContact CD2-CB 4.36Å; F50-I69 HydrophobicContact CE2-CB 4.17Å; F50-I69 HydrophobicContact CE2-CD1 4.27Å
51R97.2Very high96Very high138 Ų138101.9 Ų101.952%0.52148%0.482SS..EExtended strand (participates in β ladder)trans-148.1154.7172.662174.3-179173.54.9111N49 D53 V67N49-R51 PolarHBondContact O-N 2.91Å; R51-D53 IonicContact CZ-OD2 2.67Å; R51-D53 IonicContact NE-OD2 3.88Å; R51-V67 HydrophobicContact CG-CB 3.78Å; R51-V67 HydrophobicContact CG-CG1 4.5Å; R51-V67 HydrophobicContact CG-CG2 4.2Å; R51-V67 PolarHBondContact N-O 3.02Å; R51-V67 PolarHBondContact O-N 2.83Å
52I97.2Very high96.1Very high82 Ų8293.7 Ų93.742%0.42145%0.452SS..EExtended strand (participates in β ladder)trans-123.3124.3175.8-60.5176.2000108.3F50 F64 D65F50-I52 HydrophobicContact CE1-CD1 3.92Å; F50-I52 HydrophobicContact CE1-CG1 3.89Å; F50-I52 HydrophobicContact CZ-CD1 3.78Å; F50-I52 HydrophobicContact CZ-CG1 3.7Å; I52-F64 HydrophobicContact CG2-CD2 3.94Å; I52-D65 VanDerWaalsContact CA-O 3.24Å; I52-D65 WeakPolarHBondContact CA-O 3.26Å
53D97.5Very high96.2Very high64 Ų6492.1 Ų92.134%0.34244%0.442SS..EExtended strand (participates in β ladder)trans-116.8110.4177.2-59.7-46.3000108.8R51 V55 F64 D65R51-D53 IonicContact CZ-OD2 2.67Å; R51-D53 IonicContact NE-OD2 3.88Å; D53-V55 PolarHBondContact O-N 3.36Å; D53-F64 CarbonylContact O-C 3.58Å; D53-F64 WeakPolarHBondContact O-CA 3.3Å; D53-D65 HydrophobicContact CB-CB 4.26Å; D53-D65 PolarHBondContact N-O 3.14Å; D53-D65 VanDerWaalsContact N-O 3.08Å; D53-D65 PolarHBondContact O-N 3.1Å
54V97.5Very high96.3Very high84 Ų8488 Ų8851%0.50942%0.421SS..EExtended strand (participates in β ladder)trans-81.1115176.8-176.70000108.7L57 M62 F64V54-L57 HydrophobicContact CG1-CB 4.31Å; V54-M62 HydrophobicContact CG1-CE 4.26Å; V54-M62 HydrophobicContact CG2-CE 3.92Å; V54-F64 HydrophobicContact CB-CB 4.49Å; V54-F64 HydrophobicContact CG2-CB 4.21Å
55V96.6Very high96.4Very high79 Ų7980.8 Ų80.848%0.47939%0.39SS..EExtended strand (participates in β ladder)trans-90.6-37.8-176.7179.70000110.8D53 E63D53-V55 PolarHBondContact O-N 3.36Å; V55-E63 PolarHBondContact N-O 3.26Å
56H96.1Very high96.5Very high82 Ų8275.6 Ų75.638%0.3837%0.371SS..EExtended strand (participates in β ladder)trans-149.1137.1-176.5-176.6-99.4000111D58 M62 E63H56-D58 IonicContact CE1-OD1 3.81Å; H56-D58 PolarHBondContact CE1-OD1 3.45Å; H56-D58 IonicContact CE1-OD2 2.92Å; H56-D58 PolarHBondContact CE1-OD2 3.1Å; H56-D58 IonicContact NE2-OD1 3.27Å; H56-D58 PolarHBondContact NE2-OD1 3.49Å; H56-D58 IonicContact NE2-OD2 3.07Å; H56-D58 PolarHBondContact NE2-OD2 3.3Å; H56-M62 WeakPolarHBondContact O-CA 3.35Å; H56-E63 HydrophobicContact CB-CB 4.07Å; H56-E63 PolarHBondContact N-O 3.3Å; H56-E63 PolarHBondContact O-N 3.16Å
57L96.4Very high96.6Very high91 Ų9173.5 Ų73.548%0.47636%0.364SS..EExtended strand (participates in β ladder)trans-145.2115.1175.9179.466000109.3V54 M62 P323V54-L57 HydrophobicContact CG1-CB 4.31Å; L57-M62 HydrophobicContact CD1-CB 3.94Å; L57-M62 HydrophobicContact CD1-CG 3.89Å; L57-M62 HydrophobicContact CD1-SD 4.34Å; L57-P323 HydrophobicContact CD1-CG 4.05Å
58D94.8Very high96.6Very high92 Ų9268 Ų6849%0.49234%0.343SS..  trans-114.9175.7172-76.5-9.4000109.8H56 N60 S61H56-D58 IonicContact CE1-OD1 3.81Å; H56-D58 PolarHBondContact CE1-OD1 3.45Å; H56-D58 IonicContact CE1-OD2 2.92Å; H56-D58 PolarHBondContact CE1-OD2 3.1Å; H56-D58 IonicContact NE2-OD1 3.27Å; H56-D58 PolarHBondContact NE2-OD1 3.49Å; H56-D58 IonicContact NE2-OD2 3.07Å; H56-D58 PolarHBondContact NE2-OD2 3.3Å; D58-N60 VanDerWaalsContact C-N 3.26Å; D58-N60 PolarHBondContact O-N 3.01Å; D58-S61 PolarHBondContact N-O 2.86Å
59E92.4Very high96.6Very high168 Ų16859.9 Ų59.979%0.78531%0.308SS*.SBendtrans-54.4-40.4178.7-63.7-173.7168.400113.3P323E59-P323 WeakPolarHBondContact O-CD 3.18Å
60N95.3Very high96.6Very high71 Ų7158.3 Ų58.338%0.3830%0.299SS..SBendtrans-118.7-0.6-175.4-63.9-39.4000113.7D58 E316 S317 G319D58-N60 VanDerWaalsContact C-N 3.26Å; D58-N60 PolarHBondContact O-N 3.01Å; N60-E316 CarbonylContact O-C 3.51Å; N60-E316 WeakPolarHBondContact O-CA 3.46Å; N60-S317 PolarHBondContact O-N 2.97Å; N60-G319 WeakPolarHBondContact OD1-CA 3.17Å
61S96.7Very high96.6Very high28 Ų2857 Ų5720%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-137.9138.6-175.6-173.40000111.6D58 V315D58-S61 PolarHBondContact N-O 2.86Å; S61-V315 WeakPolarHBondContact CA-O 3.41Å
62M97.6Very high96.5Very high16 Ų1653.7 Ų53.78%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-134.8129.4176-174.8-176.2-178.900110V54 H56 L57 F64 T314 V315 P323 D324 V327V54-M62 HydrophobicContact CG1-CE 4.26Å; V54-M62 HydrophobicContact CG2-CE 3.92Å; H56-M62 WeakPolarHBondContact O-CA 3.35Å; L57-M62 HydrophobicContact CD1-CB 3.94Å; L57-M62 HydrophobicContact CD1-CG 3.89Å; L57-M62 HydrophobicContact CD1-SD 4.34Å; M62-F64 HydrophobicContact CE-CB 4.15Å; M62-F64 HydrophobicContact CE-CD1 3.76Å; M62-F64 HydrophobicContact CE-CE1 4.37Å; M62-F64 HydrophobicContact CE-CG 4.05Å; M62-F64 HydrophobicContact CG-CD1 3.97Å; M62-F64 HydrophobicContact SD-CD1 3.98Å; M62-F64 HydrophobicContact SD-CE1 4.29Å; M62-T314 WeakPolarHBondContact O-CA 3.42Å; M62-V315 PolarHBondContact N-O 3.11Å; M62-V315 PolarHBondContact O-N 2.99Å; M62-P323 HydrophobicContact CB-CB 3.73Å; M62-P323 HydrophobicContact CB-CG 3.76Å; M62-D324 HydrophobicContact SD-CB 4.36Å; M62-V327 HydrophobicContact SD-CG2 4.36Å
63E98Very high96.5Very high45 Ų4553.1 Ų53.121%0.2130%0.299CS..EExtended strand (participates in β ladder)trans-119.2123.1169.4-168.3-178.912500109.6V55 H56 R284 I312 F313V55-E63 PolarHBondContact N-O 3.26Å; H56-E63 HydrophobicContact CB-CB 4.07Å; H56-E63 PolarHBondContact N-O 3.3Å; H56-E63 PolarHBondContact O-N 3.16Å; E63-R284 IonicContact OE1-CZ 4Å; E63-R284 VanDerWaalsContact OE1-CZ 3.23Å; E63-R284 IonicContact OE1-NE 3.96Å; E63-R284 PolarHBondContact OE1-NE 3.32Å; E63-R284 IonicContact OE1-NH2 2.74Å; E63-R284 PolarHBondContact OE1-NH2 3.38Å; E63-I312 HydrophobicContact CG-CG2 4.01Å; E63-F313 VanDerWaalsContact CA-O 3.29Å; E63-F313 WeakPolarHBondContact CA-O 3.36Å; E63-F313 WeakPolarHBondContact CG-O 3.18Å
64F98.1Very high96.5Very high6 Ų650.1 Ų50.13%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-145.4153.7-179.268.3-82.8000111.7I52 D53 V54 M62 M66 F313 V315 V327I52-F64 HydrophobicContact CG2-CD2 3.94Å; D53-F64 CarbonylContact O-C 3.58Å; D53-F64 WeakPolarHBondContact O-CA 3.3Å; V54-F64 HydrophobicContact CB-CB 4.49Å; V54-F64 HydrophobicContact CG2-CB 4.21Å; M62-F64 HydrophobicContact CE-CB 4.15Å; M62-F64 HydrophobicContact CE-CD1 3.76Å; M62-F64 HydrophobicContact CE-CE1 4.37Å; M62-F64 HydrophobicContact CE-CG 4.05Å; M62-F64 HydrophobicContact CG-CD1 3.97Å; M62-F64 HydrophobicContact SD-CD1 3.98Å; M62-F64 HydrophobicContact SD-CE1 4.29Å; F64-M66 HydrophobicContact CD2-CG 3.79Å; F64-M66 HydrophobicContact CE2-CG 3.41Å; F64-M66 VanDerWaalsContact CE2-CG 3.41Å; F64-M66 HydrophobicContact CE2-SD 3.65Å; F64-M66 HydrophobicContact CZ-SD 4.33Å; F64-F313 HydrophobicContact CD1-CB 3.89Å; F64-F313 HydrophobicContact CD2-CB 4.31Å; F64-F313 HydrophobicContact CE1-CB 3.52Å; F64-F313 HydrophobicContact CE1-CG 4.26Å; F64-F313 HydrophobicContact CE2-CB 4Å; F64-F313 HydrophobicContact CE2-CD2 4.46Å; F64-F313 HydrophobicContact CE2-CG 4.24Å; F64-F313 HydrophobicContact CG-CB 4.29Å; F64-F313 HydrophobicContact CZ-CB 3.58Å; F64-F313 HydrophobicContact CZ-CD1 4.21Å; F64-F313 HydrophobicContact CZ-CD2 4.49Å; F64-F313 AromaticContact CZ-CG 3.86Å; F64-F313 HydrophobicContact CZ-CG 3.86Å; F64-F313 PolarHBondContact N-O 3.14Å; F64-F313 VanDerWaalsContact N-O 3.1Å; F64-F313 PolarHBondContact O-N 3.28Å; F64-V315 HydrophobicContact CE1-CG2 4.14Å; F64-V327 HydrophobicContact CE1-CG2 3.91Å; F64-V327 HydrophobicContact CZ-CG1 4.03Å; F64-V327 HydrophobicContact CZ-CG2 4.12Å
65D98.1Very high96.5Very high12 Ų1248.4 Ų48.46%0.06427%0.271CS..EExtended strand (participates in β ladder)trans-98.8135.8178-63.3-19.3000110.2I52 D53 R284 H310 F311 I312I52-D65 VanDerWaalsContact CA-O 3.24Å; I52-D65 WeakPolarHBondContact CA-O 3.26Å; D53-D65 HydrophobicContact CB-CB 4.26Å; D53-D65 PolarHBondContact N-O 3.14Å; D53-D65 VanDerWaalsContact N-O 3.08Å; D53-D65 PolarHBondContact O-N 3.1Å; D65-R284 IonicContact OD1-CZ 3.59Å; D65-R284 IonicContact OD1-NH1 3.67Å; D65-R284 PolarHBondContact OD1-NH1 3Å; D65-R284 IonicContact OD1-NH2 3.85Å; D65-R284 PolarHBondContact OD1-NH2 2.88Å; D65-R284 IonicContact OD2-CZ 3.1Å; D65-R284 IonicContact OD2-NH1 2.54Å; D65-R284 PolarHBondContact OD2-NH1 3.08Å; D65-R284 IonicContact OD2-NH2 2.83Å; D65-H310 IonicContact OD1-NE2 2.66Å; D65-H310 IonicContact OD2-NE2 2.58Å; D65-H310 PolarHBondContact OD2-NE2 3.04Å; D65-F311 CarbonylContact C-O 3.38Å; D65-F311 VanDerWaalsContact CA-O 3.26Å; D65-F311 WeakPolarHBondContact CA-O 3.28Å; D65-I312 WeakPolarHBondContact OD1-CG1 3.09Å
66M97.4Very high96.5Very high8 Ų845.5 Ų45.54%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-115.2112.2168.4-60.7-175.67400108.5F50 F64 I69 F77 F311 F313F50-M66 HydrophobicContact CE2-CE 4.06Å; F50-M66 HydrophobicContact CZ-CE 4.03Å; F64-M66 HydrophobicContact CD2-CG 3.79Å; F64-M66 HydrophobicContact CE2-CG 3.41Å; F64-M66 VanDerWaalsContact CE2-CG 3.41Å; F64-M66 HydrophobicContact CE2-SD 3.65Å; F64-M66 HydrophobicContact CZ-SD 4.33Å; M66-I69 HydrophobicContact CB-CG2 4.07Å; M66-I69 HydrophobicContact CE-CD1 3.76Å; M66-I69 HydrophobicContact CE-CG2 4.48Å; M66-F77 HydrophobicContact CE-CD2 4.07Å; M66-F77 HydrophobicContact CE-CE2 3.89Å; M66-F77 HydrophobicContact SD-CD2 4.49Å; M66-F311 HydrophobicContact CB-CB 4.38Å; M66-F311 PolarHBondContact N-O 3.19Å; M66-F311 PolarHBondContact O-N 3.46Å; M66-F313 HydrophobicContact CG-CD2 4.04Å; M66-F313 HydrophobicContact CG-CE2 4.3Å; M66-F313 HydrophobicContact SD-CD2 3.77Å; M66-F313 HydrophobicContact SD-CE2 3.58Å; M66-F313 VanDerWaalsContact SD-CE2 3.58Å; M66-F313 HydrophobicContact SD-CG 4.5Å; M66-F313 HydrophobicContact SD-CZ 4.16Å
67V97.9Very high96.6Very high16 Ų1643 Ų4310%0.09725%0.245CC..EExtended strand (participates in β ladder)trans-109.6137.2-179-173.80000109.9F50 R51 D309F50-V67 WeakPolarHBondContact CA-O 3.44Å; F50-V67 WeakPolarHBondContact CD2-O 3.27Å; R51-V67 HydrophobicContact CG-CB 3.78Å; R51-V67 HydrophobicContact CG-CG1 4.5Å; R51-V67 HydrophobicContact CG-CG2 4.2Å; R51-V67 PolarHBondContact N-O 3.02Å; R51-V67 PolarHBondContact O-N 2.83Å; V67-D309 CarbonylContact C-O 3.5Å; V67-D309 VanDerWaalsContact CA-O 3.25Å; V67-D309 WeakPolarHBondContact CA-O 3.29Å
68G95.6Very high96.7Very high17 Ų1741.7 Ų41.718%0.17523%0.234CC..SBendtrans86.117.6175.600000115F46 D309F46-G68 WeakPolarHBondContact CE2-O 3.36Å; G68-D309 PolarHBondContact N-O 3Å
69I95.7Very high96.8Very high10 Ų1044.8 Ų44.85%0.05124%0.239CC..  trans-110.8156.1175.9-161.1167.4000110.7F50 M66 I73 A74 F77 F311F50-I69 HydrophobicContact CD2-CB 4.36Å; F50-I69 HydrophobicContact CE2-CB 4.17Å; F50-I69 HydrophobicContact CE2-CD1 4.27Å; M66-I69 HydrophobicContact CB-CG2 4.07Å; M66-I69 HydrophobicContact CE-CD1 3.76Å; M66-I69 HydrophobicContact CE-CG2 4.48Å; I69-I73 HydrophobicContact CD1-CB 3.84Å; I69-I73 HydrophobicContact CD1-CG2 3.65Å; I69-I73 HydrophobicContact CG1-CB 3.98Å; I69-I73 HydrophobicContact CG1-CD1 4.36Å; I69-I73 HydrophobicContact CG1-CG2 4.32Å; I69-A74 HydrophobicContact CG2-CB 4.4Å; I69-F77 HydrophobicContact CD1-CE2 3.95Å; I69-F311 HydrophobicContact CG2-CD2 3.67Å; I69-F311 HydrophobicContact CG2-CE2 3.91Å; I69-F311 VanDerWaalsContact O-CE2 3.26Å; I69-F311 WeakPolarHBondContact O-CE2 3.03Å
70D96.1Very high97.1Very high52 Ų5237 Ų3728%0.27820%0.203SC..  trans-88156173.2179.862.5000112.3T27 A72 I73 A74T27-D70 VanDerWaalsContact CG2-OD1 3.22Å; T27-D70 WeakPolarHBondContact CG2-OD1 3.21Å; T27-D70 PolarHBondContact OG1-OD1 3.04Å; D70-A72 PolarHBondContact O-N 2.54Å; D70-A72 WeakPolarHBondContact OD2-CB 3.16Å; D70-A72 PolarHBondContact OD2-N 3.24Å; D70-I73 PolarHBondContact O-N 3.37Å; D70-A74 PolarHBondContact O-N 2.82Å; D70-A74 VanDerWaalsContact O-N 3.16Å
71A95.8Very high97.2Very high36 Ų3633.8 Ų33.830%0.29819%0.186SC..Hα-helixtrans-57.2-30.917800000113.4N75 F311A71-N75 WeakPolarHBondContact O-CB 2.86Å; A71-N75 PolarHBondContact O-N 3.31Å; A71-F311 HydrophobicContact CB-CE1 4.24Å; A71-F311 HydrophobicContact CB-CZ 3.95Å
72A96.4Very high97.3Very high69 Ų6935 Ų3557%0.5719%0.19SC*.Hα-helixtrans-61.7-45.617900000112.1D70 G76D70-A72 PolarHBondContact O-N 2.54Å; D70-A72 WeakPolarHBondContact OD2-CB 3.16Å; D70-A72 PolarHBondContact OD2-N 3.24Å; A72-G76 PolarHBondContact O-N 2.97Å
73I96.4Very high97.2Very high70 Ų7035.6 Ų35.636%0.35920%0.197SC..Hα-helixtrans-76.6-43.5-179-54.5174.1000110.3I69 D70 N75 G76 F77I69-I73 HydrophobicContact CD1-CB 3.84Å; I69-I73 HydrophobicContact CD1-CG2 3.65Å; I69-I73 HydrophobicContact CG1-CB 3.98Å; I69-I73 HydrophobicContact CG1-CD1 4.36Å; I69-I73 HydrophobicContact CG1-CG2 4.32Å; D70-I73 PolarHBondContact O-N 3.37Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-N75 PolarHBondContact O-N 3.03Å; I73-G76 WeakPolarHBondContact O-CA 3.47Å; I73-G76 PolarHBondContact O-N 3.08Å; I73-F77 HydrophobicContact CG2-CD2 4.29Å; I73-F77 HydrophobicContact CG2-CE1 4.43Å; I73-F77 HydrophobicContact CG2-CE2 3.6Å; I73-F77 HydrophobicContact CG2-CZ 3.68Å; I73-F77 PolarHBondContact O-N 2.67Å
74A97.1Very high97.2Very high0 Ų035.6 Ų35.60%020%0.197CC..Hα-helixtrans-55.9-45.5174.700000111.8I69 D70 G76 F77 R78 F311 F313I69-A74 HydrophobicContact CG2-CB 4.4Å; D70-A74 PolarHBondContact O-N 2.82Å; D70-A74 VanDerWaalsContact O-N 3.16Å; A74-G76 VanDerWaalsContact C-N 3.32Å; A74-G76 PolarHBondContact O-N 3.22Å; A74-F77 PolarHBondContact O-N 3.23Å; A74-R78 PolarHBondContact O-N 2.82Å; A74-R78 VanDerWaalsContact O-N 3.08Å; A74-F311 HydrophobicContact CB-CD1 4.08Å; A74-F311 HydrophobicContact CB-CD2 4.4Å; A74-F311 HydrophobicContact CB-CE1 4.1Å; A74-F311 HydrophobicContact CB-CE2 4.46Å; A74-F311 HydrophobicContact CB-CG 4.23Å; A74-F311 HydrophobicContact CB-CZ 4.31Å; A74-F313 HydrophobicContact CB-CE2 3.96Å; A74-F313 HydrophobicContact CB-CZ 3.82Å; A74-F313 WeakPolarHBondContact O-CZ 3.23Å
75N97.6Very high97.2Very high48 Ų4835.4 Ų35.426%0.25720%0.196SC..Hα-helixtrans-68.2-31.3174.5-169.740.3000112.6A71 I73 R78 R79 Y238A71-N75 WeakPolarHBondContact O-CB 2.86Å; A71-N75 PolarHBondContact O-N 3.31Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-N75 PolarHBondContact O-N 3.03Å; N75-R78 PolarHBondContact O-N 2.68Å; N75-R78 PolarHBondContact OD1-NE 2.91Å; N75-R78 PolarHBondContact OD1-NH2 3.45Å; N75-R79 WeakPolarHBondContact O-CB 3.31Å; N75-R79 WeakPolarHBondContact O-CG 3.39Å; N75-R79 PolarHBondContact O-N 3.12Å; N75-Y238 HydrophobicContact CB-CE1 4.23Å
76G97.8Very high97.1Very high19 Ų1936.1 Ų36.120%0.19620%0.202CC..Hα-helixtrans-54.6-53.7169.400000111.7A72 I73 A74 R78 R79 I80A72-G76 PolarHBondContact O-N 2.97Å; I73-G76 WeakPolarHBondContact O-CA 3.47Å; I73-G76 PolarHBondContact O-N 3.08Å; A74-G76 VanDerWaalsContact C-N 3.32Å; A74-G76 PolarHBondContact O-N 3.22Å; G76-R78 PolarHBondContact O-N 2.7Å; G76-R79 PolarHBondContact O-N 3.4Å; G76-I80 WeakPolarHBondContact O-CG1 3.33Å; G76-I80 PolarHBondContact O-N 3.06Å
77F97.6Very high97.1Very high28 Ų2835.8 Ų35.812%0.12320%0.2CC..Hα-helixtrans-60-44.8177-61.3-41.6000112.6M66 I69 I73 A74 R79 I80 L81 I331 L334M66-F77 HydrophobicContact CE-CD2 4.07Å; M66-F77 HydrophobicContact CE-CE2 3.89Å; M66-F77 HydrophobicContact SD-CD2 4.49Å; I69-F77 HydrophobicContact CD1-CE2 3.95Å; I73-F77 HydrophobicContact CG2-CD2 4.29Å; I73-F77 HydrophobicContact CG2-CE1 4.43Å; I73-F77 HydrophobicContact CG2-CE2 3.6Å; I73-F77 HydrophobicContact CG2-CZ 3.68Å; I73-F77 PolarHBondContact O-N 2.67Å; A74-F77 PolarHBondContact O-N 3.23Å; F77-R79 VanDerWaalsContact C-N 3.31Å; F77-R79 PolarHBondContact O-N 3.22Å; F77-I80 PolarHBondContact O-N 3.02Å; F77-L81 WeakPolarHBondContact O-CG 3.29Å; F77-L81 PolarHBondContact O-N 2.87Å; F77-I331 HydrophobicContact CD1-CG1 4.07Å; F77-I331 HydrophobicContact CE1-CB 4.28Å; F77-I331 HydrophobicContact CE1-CG1 3.7Å; F77-I331 HydrophobicContact CZ-CG1 4.03Å; F77-L334 HydrophobicContact CD1-CD2 4.25Å; F77-L334 HydrophobicContact CE1-CB 4.46Å; F77-L334 HydrophobicContact CE1-CD2 3.65Å; F77-L334 HydrophobicContact CZ-CD2 4.32Å
78R97.9Very high97Very high65 Ų6535 Ų3525%0.24520%0.196CC..Hα-helixtrans-57.4-43176.5-169.9-165.563.680.83112.2A74 N75 G76 L82 A236 Y238 F313A74-R78 PolarHBondContact O-N 2.82Å; A74-R78 VanDerWaalsContact O-N 3.08Å; N75-R78 PolarHBondContact O-N 2.68Å; N75-R78 PolarHBondContact OD1-NE 2.91Å; N75-R78 PolarHBondContact OD1-NH2 3.45Å; G76-R78 PolarHBondContact O-N 2.7Å; R78-L82 HydrophobicContact CG-CD1 4.41Å; R78-L82 WeakPolarHBondContact O-CG 3.44Å; R78-L82 PolarHBondContact O-N 3.38Å; R78-A236 VanDerWaalsContact CG-O 3.29Å; R78-A236 WeakPolarHBondContact CG-O 3.5Å; R78-Y238 HydrophobicContact CB-CD1 4.18Å; R78-Y238 HydrophobicContact CB-CE1 4.15Å; R78-Y238 HydrophobicContact CG-CD1 4.35Å; R78-Y238 HydrophobicContact CG-CE1 4.48Å; R78-F313 HydrophobicContact CB-CE1 4.39Å
79R97.9Very high97.1Very high156 Ų15634.3 Ų34.359%0.58919%0.188SC*.Hα-helixtrans-68.2-40.2179.6-71.8168.866.3103.95.1112N75 G76 F77 L82 A83N75-R79 WeakPolarHBondContact O-CB 3.31Å; N75-R79 WeakPolarHBondContact O-CG 3.39Å; N75-R79 PolarHBondContact O-N 3.12Å; G76-R79 PolarHBondContact O-N 3.4Å; F77-R79 VanDerWaalsContact C-N 3.31Å; F77-R79 PolarHBondContact O-N 3.22Å; R79-L82 PolarHBondContact O-N 3.42Å; R79-A83 WeakPolarHBondContact O-CB 3.41Å; R79-A83 PolarHBondContact O-N 2.99Å
80I98.3Very high97.2Very high6 Ų633.9 Ų33.93%0.03119%0.186CC..Hα-helixtrans-64.3-45.8178.2-69.8169.7000110.5G76 F77 L82 A83 E84 V85 A330 V333 L334G76-I80 WeakPolarHBondContact O-CG1 3.33Å; G76-I80 PolarHBondContact O-N 3.06Å; F77-I80 PolarHBondContact O-N 3.02Å; I80-L82 PolarHBondContact O-N 3.48Å; I80-A83 PolarHBondContact O-N 2.69Å; I80-E84 HydrophobicContact CG2-CB 4.15Å; I80-E84 PolarHBondContact O-N 2.97Å; I80-V85 HydrophobicContact CG2-CG2 4Å; I80-V85 PolarHBondContact O-N 2.71Å; I80-V85 VanDerWaalsContact O-N 3.08Å; I80-A330 HydrophobicContact CB-CB 4.27Å; I80-A330 HydrophobicContact CG2-CB 3.66Å; I80-V333 HydrophobicContact CD1-CG1 4.44Å; I80-V333 HydrophobicContact CG2-CB 3.8Å; I80-V333 HydrophobicContact CG2-CG1 3.83Å; I80-V333 HydrophobicContact CG2-CG2 4.37Å; I80-L334 HydrophobicContact CD1-CB 3.63Å; I80-L334 HydrophobicContact CD1-CD1 4.14Å; I80-L334 HydrophobicContact CD1-CG 4.34Å
81L97.8Very high97.1Very high3 Ų335.2 Ų35.22%0.01619%0.19CC..Hα-helixtrans-55.5-38.7175.9-76.6168000112.8F77 A236 V315 L326 A330F77-L81 WeakPolarHBondContact O-CG 3.29Å; F77-L81 PolarHBondContact O-N 2.87Å; L81-A236 HydrophobicContact CB-CB 4.01Å; L81-A236 HydrophobicContact CD1-CB 4.1Å; L81-V315 HydrophobicContact CD1-CG2 3.95Å; L81-L326 HydrophobicContact CD2-CB 3.94Å; L81-L326 WeakPolarHBondContact CD2-O 3.46Å; L81-A330 HydrophobicContact CD2-CB 3.74Å; L81-A330 HydrophobicContact CG-CB 3.76Å
82L97.4Very high97Very high54 Ų5439.3 Ų39.328%0.28320%0.201SC..Hα-helixtrans-78.6-31.9-178.9-71.2167.5000113.8R78 R79 I80 V233 A236R78-L82 HydrophobicContact CG-CD1 4.41Å; R78-L82 WeakPolarHBondContact O-CG 3.44Å; R78-L82 PolarHBondContact O-N 3.38Å; R79-L82 PolarHBondContact O-N 3.42Å; I80-L82 PolarHBondContact O-N 3.48Å; L82-V233 HydrophobicContact CD2-CG2 3.66Å; L82-V233 HydrophobicContact CG-CG2 4.38Å; L82-A236 HydrophobicContact CD2-CB 4.44Å; L82-A236 HydrophobicContact CG-CB 4.42Å
83A97.3Very high97Very high28 Ų2837.6 Ų37.623%0.23118%0.184CC..Hα-helixtrans-130.4-18.7-162.500000115.4R79 I80 G224 K225R79-A83 WeakPolarHBondContact O-CB 3.41Å; R79-A83 PolarHBondContact O-N 2.99Å; I80-A83 PolarHBondContact O-N 2.69Å; A83-G224 CarbonylContact O-C 3.51Å; A83-G224 PolarHBondContact O-N 3.11Å; A83-G224 VanDerWaalsContact O-N 3.13Å; A83-K225 HydrophobicContact CB-CB 4.17Å; A83-K225 WeakPolarHBondContact O-CB 3.25Å; A83-K225 PolarHBondContact O-N 2.95Å
84E97.4Very high97Very high44 Ų4437.3 Ų37.321%0.20618%0.18CC..THydrogen-bonded Turntrans-128.2-15.2-167.5-61.2-174.6176.900114.5I80 P86 V333 K337I80-E84 HydrophobicContact CG2-CB 4.15Å; I80-E84 PolarHBondContact O-N 2.97Å; E84-P86 WeakPolarHBondContact O-CD 3.24Å; E84-V333 HydrophobicContact CB-CG1 4.16Å; E84-K337 IonicContact OE1-NZ 3.23Å; E84-K337 PolarHBondContact OE1-NZ 3.39Å; E84-K337 WeakPolarHBondContact OE2-CE 3.3Å; E84-K337 IonicContact OE2-NZ 2.99Å; E84-K337 PolarHBondContact OE2-NZ 3.18Å
85V97.1Very high97Very high2 Ų239.9 Ų39.91%0.01219%0.193CC..SBendtrans-70.3120.6167.2178.50000108.2I80 P232 M321 L326 E329 A330I80-V85 HydrophobicContact CG2-CG2 4Å; I80-V85 PolarHBondContact O-N 2.71Å; I80-V85 VanDerWaalsContact O-N 3.08Å; V85-P232 HydrophobicContact CB-CG 3.86Å; V85-P232 HydrophobicContact CG1-CG 3.87Å; V85-M321 HydrophobicContact CG1-CE 4.47Å; V85-L326 HydrophobicContact CG1-CD2 4.1Å; V85-E329 HydrophobicContact CG1-CB 4.4Å; V85-A330 HydrophobicContact CG2-CB 3.99Å
86P96.8Very high96.9Very high28 Ų2845.5 Ų45.518%0.18221%0.212CC..EExtended strand (participates in β ladder)trans-77.8151.9-175.630.9-34.6000112.2E84 P120 F125 K221 G222 I223E84-P86 WeakPolarHBondContact O-CD 3.24Å; P86-P120 VanDerWaalsContact O-CG 3.28Å; P86-P120 WeakPolarHBondContact O-CG 3.25Å; P86-F125 HydrophobicContact CB-CZ 3.99Å; P86-K221 HydrophobicContact CB-CG 4.11Å; P86-G222 CarbonylContact C-O 3.51Å; P86-G222 WeakPolarHBondContact CA-O 3.34Å; P86-G222 WeakPolarHBondContact CB-O 3.43Å; P86-I223 HydrophobicContact CB-CG2 4.07Å
87T97.3Very high96.8Very high0 Ų047.4 Ų47.40%022%0.218CC..EExtended strand (participates in β ladder)trans-141170.117360.10000111.4K221 G222 F230 P232 I320 M321T87-K221 WeakPolarHBondContact O-CA 3.18Å; T87-G222 PolarHBondContact N-O 2.75Å; T87-G222 PolarHBondContact O-N 2.78Å; T87-F230 WeakPolarHBondContact CG2-O 3.31Å; T87-F230 WeakPolarHBondContact OG1-CA 3.49Å; T87-F230 PolarHBondContact OG1-O 3.17Å; T87-P232 HydrophobicContact CG2-CB 3.49Å; T87-P232 VanDerWaalsContact CG2-CB 3.49Å; T87-P232 HydrophobicContact CG2-CG 4.11Å; T87-I320 HydrophobicContact CG2-CD1 3.93Å; T87-I320 HydrophobicContact CG2-CG2 4.39Å; T87-M321 HydrophobicContact CG2-CE 4.47Å
88M96.1Very high96.8Very high1 Ų147.5 Ų47.51%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-94.4125.1172.1-59.5-58.5-73.500109.8A118 P120 F123 I143 V220 K221M88-A118 HydrophobicContact CB-CB 4.2Å; M88-A118 HydrophobicContact CG-CB 3.95Å; M88-P120 HydrophobicContact CG-CB 4.35Å; M88-F123 HydrophobicContact CE-CB 4.05Å; M88-F123 HydrophobicContact CE-CD1 4.07Å; M88-F123 HydrophobicContact CE-CD2 3.97Å; M88-F123 HydrophobicContact CE-CE2 4.49Å; M88-F123 HydrophobicContact CE-CG 3.75Å; M88-F123 HydrophobicContact CG-CD2 4.22Å; M88-F123 HydrophobicContact SD-CB 3.93Å; M88-F123 HydrophobicContact SD-CD2 3.94Å; M88-F123 HydrophobicContact SD-CG 4.01Å; M88-I143 HydrophobicContact CE-CD1 3.82Å; M88-I143 HydrophobicContact CE-CG1 4.06Å; M88-I143 HydrophobicContact CG-CD1 4.43Å; M88-V220 WeakPolarHBondContact CA-O 3.34Å; M88-K221 VanDerWaalsContact SD-CA 3.6Å; M88-K221 HydrophobicContact SD-CB 3.67Å; M88-K221 HydrophobicContact SD-CG 4.29Å
89A97.2Very high96.8Very high2 Ų247.2 Ų47.22%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-142.3159.3174.200000111.5E91 C219 V220 K229 F230A89-E91 PolarHBondContact O-N 3.38Å; A89-C219 CarbonylContact O-C 3.58Å; A89-C219 WeakPolarHBondContact O-CA 3.4Å; A89-V220 PolarHBondContact N-O 2.86Å; A89-V220 VanDerWaalsContact N-O 3.14Å; A89-V220 PolarHBondContact O-N 3.35Å; A89-K229 HydrophobicContact CB-CD 4.27Å; A89-K229 HydrophobicContact CB-CG 3.97Å; A89-F230 HydrophobicContact CB-CD1 3.62Å; A89-F230 HydrophobicContact CB-CE1 3.53Å; A89-F230 HydrophobicContact CB-CG 4.49Å; A89-F230 HydrophobicContact CB-CZ 4.33Å
90I96.9Very high96.7Very high1 Ų140.7 Ų40.71%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-70.5127.2179.3-64.1161000109.9V93 L111 I116 L145 M217 C219 K229I90-V93 HydrophobicContact CG2-CG2 3.73Å; I90-L111 HydrophobicContact CD1-CB 4.41Å; I90-L111 WeakPolarHBondContact CD1-O 3.45Å; I90-I116 HydrophobicContact CD1-CD1 4.28Å; I90-I116 HydrophobicContact CG1-CG1 4.48Å; I90-L145 HydrophobicContact CD1-CD1 4.22Å; I90-L145 HydrophobicContact CG1-CD1 4.31Å; I90-M217 HydrophobicContact CD1-CB 4.37Å; I90-M217 HydrophobicContact CD1-CG 4.47Å; I90-M217 HydrophobicContact CD1-SD 3.73Å; I90-M217 HydrophobicContact CG1-CB 4.31Å; I90-M217 HydrophobicContact CG2-CB 3.92Å; I90-M217 HydrophobicContact CG2-CG 4.16Å; I90-C219 WeakPolarHBondContact CG1-SG 3.48Å; I90-K229 PolarHBondContact O-NZ 3.36Å
91E94.3Very high96.6Very high79 Ų7946.6 Ų46.637%0.36923%0.234SC..EExtended strand (participates in β ladder)trans-114.7-49.8180-166.863.6-131.400112.2A89 H218 V220 K229 F230A89-E91 PolarHBondContact O-N 3.38Å; E91-H218 PolarHBondContact N-O 2.85Å; E91-V220 HydrophobicContact CB-CG2 3.71Å; E91-V220 HydrophobicContact CG-CG2 4.17Å; E91-K229 IonicContact OE1-NZ 3.19Å; E91-K229 PolarHBondContact OE1-NZ 2.91Å; E91-K229 WeakPolarHBondContact OE2-CE 3.24Å; E91-K229 IonicContact OE2-NZ 3.65Å; E91-K229 PolarHBondContact OE2-NZ 3.05Å; E91-F230 WeakPolarHBondContact OE2-CZ 3.47Å
92K93.9Very high96.5Very high123 Ų12348 Ų4854%0.53524%0.242SC..EExtended strand (participates in β ladder)trans-107.1135.2179.2-59.7-64.9-174.9173.20110F94 M217 H218K92-F94 HydrophobicContact CB-CE2 3.82Å; K92-F94 HydrophobicContact CB-CZ 4.07Å; K92-M217 CarbonylContact O-C 3.57Å; K92-M217 WeakPolarHBondContact O-CA 3.27Å; K92-H218 HydrophobicContact CB-CB 4.24Å; K92-H218 PolarHBondContact N-O 2.92Å; K92-H218 PolarHBondContact O-N 3.21Å
93V96.6Very high96.6Very high33 Ų3350.6 Ų50.620%0.225%0.253CS..EExtended strand (participates in β ladder)trans-127.7109.8179.3-175.20000107.6I90 I95 A108 L111 I215 M217I90-V93 HydrophobicContact CG2-CG2 3.73Å; V93-I95 HydrophobicContact CG1-CG1 4.05Å; V93-A108 HydrophobicContact CB-CB 4.04Å; V93-A108 HydrophobicContact CG1-CB 4.31Å; V93-A108 HydrophobicContact CG2-CB 3.99Å; V93-L111 HydrophobicContact CG1-CD1 3.99Å; V93-I215 HydrophobicContact CG1-CG2 3.36Å; V93-M217 HydrophobicContact CG1-CG 4.25Å; V93-M217 HydrophobicContact CG2-CG 4.31Å
94F96.3Very high96.6Very high64 Ų6453 Ų5328%0.28126%0.262SS..EExtended strand (participates in β ladder)trans-95.2111.6177.1-56.9-86.3000108.6K92 I215 T216 H218K92-F94 HydrophobicContact CB-CE2 3.82Å; K92-F94 HydrophobicContact CB-CZ 4.07Å; F94-I215 CarbonylContact O-C 3.59Å; F94-I215 WeakPolarHBondContact O-CA 3.4Å; F94-T216 PolarHBondContact N-O 3.16Å; F94-T216 PolarHBondContact O-N 2.87Å; F94-H218 AromaticContact CE2-CD2 3.92Å; F94-H218 AromaticContact CE2-CE1 3.42Å; F94-H218 VanDerWaalsContact CE2-CE1 3.42Å; F94-H218 WeakPolarHBondContact CE2-CE1 3.34Å; F94-H218 AromaticContact CE2-CG 3.81Å; F94-H218 AromaticContact CE2-ND1 3.51Å; F94-H218 AromaticContact CE2-NE2 3.67Å; F94-H218 AromaticContact CZ-CE1 3.97Å
95I96.7Very high96.5Very high54 Ų5457 Ų5728%0.27728%0.281SS..EExtended strand (participates in β ladder)trans-100114-178.2-59.3174.2000108V93 N98 D104 I215V93-I95 HydrophobicContact CG1-CG1 4.05Å; I95-N98 HydrophobicContact CG2-CB 3.68Å; I95-D104 HydrophobicContact CD1-CB 3.64Å; I95-I215 HydrophobicContact CG1-CG1 4.33Å; I95-I215 HydrophobicContact CG1-CG2 4.35Å
96Y96.4Very high96.6Very high165 Ų16559.9 Ų59.965%0.64730%0.298SS*.EExtended strand (participates in β ladder)trans-85.7-43.9174.9-66.3-76.3000111.4D214Y96-D214 PolarHBondContact N-O 3.48Å
97N96.1Very high96.6Very high59 Ų5958.6 Ų58.632%0.31629%0.289SS..EExtended strand (participates in β ladder)trans-148.9118.6174.4-16310.8000110.8E212 L213 D214N97-E212 PolarHBondContact ND2-OE1 3.44Å; N97-L213 CarbonylContact O-C 3.55Å; N97-L213 WeakPolarHBondContact O-CA 3.21Å; N97-D214 HydrophobicContact CB-CB 4.42Å; N97-D214 PolarHBondContact N-O 2.96Å; N97-D214 PolarHBondContact O-N 3.34Å
98N97.3Very high96.6Very high30 Ų3060 Ų6016%0.1630%0.301CS..EExtended strand (participates in β ladder)trans-121.5108.2167.9178.213.3000108.8I95 S100 V102 D104 L213I95-N98 HydrophobicContact CG2-CB 3.68Å; N98-S100 WeakPolarHBondContact OD1-CB 3.45Å; N98-S100 PolarHBondContact OD1-N 2.69Å; N98-S100 PolarHBondContact OD1-OG 3.4Å; N98-V102 PolarHBondContact ND2-O 2.92Å; N98-D104 WeakPolarHBondContact CB-OD1 3.24Å; N98-D104 PolarHBondContact ND2-OD1 2.69Å; N98-L213 HydrophobicContact CB-CD2 4.14Å; N98-L213 WeakPolarHBondContact OD1-CD2 3.22Å
99T97.1Very high96.7Very high59 Ų5965.2 Ų65.236%0.36233%0.325SS..  trans-10912.9173.652.40000112.1Q211 E212T99-Q211 VanDerWaalsContact O-CG 3.28Å; T99-Q211 WeakPolarHBondContact O-CG 3.2Å; T99-Q211 PolarHBondContact O-NE2 3.35Å; T99-Q211 WeakPolarHBondContact OG1-CA 3.45Å; T99-E212 PolarHBondContact N-O 3.08Å; T99-E212 VanDerWaalsContact N-O 3.07Å; T99-E212 PolarHBondContact OG1-N 3.41Å; T99-E212 PolarHBondContact OG1-O 3.4Å; T99-E212 VanDerWaalsContact OG1-O 3.11Å
100S96.3Very high96.7Very high19 Ų1970.6 Ų70.613%0.13335%0.345CS..SBendtrans-74.3174.3176.484.40000111.8N98 V102N98-S100 WeakPolarHBondContact OD1-CB 3.45Å; N98-S100 PolarHBondContact OD1-N 2.69Å; N98-S100 PolarHBondContact OD1-OG 3.4Å; S100-V102 VanDerWaalsContact C-N 3.35Å; S100-V102 PolarHBondContact OG-N 3.3Å; S100-V102 PolarHBondContact OG-O 2.96Å
101I96.3Very high96.8Very high131 Ų13170.5 Ų70.567%0.67235%0.345SS*.SBendtrans-80.7-22.6175-57.7175.8000111Q103I101-Q103 PolarHBondContact O-N 3.15Å
102V96.9Very high96.9Very high33 Ų3367 Ų6720%0.233%0.33CS..SBendtrans-75.7125.9-178.8-1760000108.6N98 S100 V106 L107 A205N98-V102 PolarHBondContact ND2-O 2.92Å; S100-V102 VanDerWaalsContact C-N 3.35Å; S100-V102 PolarHBondContact OG-N 3.3Å; S100-V102 PolarHBondContact OG-O 2.96Å; V102-V106 HydrophobicContact CG1-CB 4.21Å; V102-V106 HydrophobicContact CG1-CG1 4.14Å; V102-L107 HydrophobicContact CG1-CB 4.01Å; V102-L107 HydrophobicContact CG1-CD1 4.49Å; V102-A205 HydrophobicContact CG2-CB 4.17Å
103Q97.6Very high97.1Very high108 Ų10865.5 Ų65.551%0.50533%0.327SS..  trans-63.9149.5177.9-59.584.7-1000111.3I101 E105 V106 L107I101-Q103 PolarHBondContact O-N 3.15Å; Q103-E105 VanDerWaalsContact C-N 3.34Å; Q103-E105 WeakPolarHBondContact CB-OE1 3.39Å; Q103-E105 WeakPolarHBondContact CB-OE2 3.25Å; Q103-E105 PolarHBondContact O-N 3.06Å; Q103-V106 HydrophobicContact CB-CG2 4.27Å; Q103-V106 PolarHBondContact O-N 3.38Å; Q103-L107 WeakPolarHBondContact O-CB 3.35Å; Q103-L107 PolarHBondContact O-N 2.97Å
104D97.5Very high97.1Very high78 Ų7864.1 Ų64.142%0.41732%0.319SS..Hα-helixtrans-57-45.4-174.8-68.5-18.7000112.3I95 N98 V106 L107 A108I95-D104 HydrophobicContact CD1-CB 3.64Å; N98-D104 WeakPolarHBondContact CB-OD1 3.24Å; N98-D104 PolarHBondContact ND2-OD1 2.69Å; D104-V106 PolarHBondContact O-N 3.21Å; D104-L107 PolarHBondContact O-N 3.27Å; D104-A108 WeakPolarHBondContact O-CB 3.48Å; D104-A108 PolarHBondContact O-N 3.35Å
105E96.9Very high97.2Very high129 Ų12962.2 Ų62.260%0.60331%0.313SS*.Hα-helixtrans-66.1-38.6-179.768.4-74.2175.900112.4Q103 H109Q103-E105 VanDerWaalsContact C-N 3.34Å; Q103-E105 WeakPolarHBondContact CB-OE1 3.39Å; Q103-E105 WeakPolarHBondContact CB-OE2 3.25Å; Q103-E105 PolarHBondContact O-N 3.06Å; E105-H109 WeakPolarHBondContact O-CB 3.25Å; E105-H109 PolarHBondContact O-N 3.16Å
106V97.7Very high97.1Very high62 Ų6259.6 Ų59.638%0.37630%0.299SS..Hα-helixtrans-70.4-40177.6179.30000109.9V102 Q103 D104 H109 R110V102-V106 HydrophobicContact CG1-CB 4.21Å; V102-V106 HydrophobicContact CG1-CG1 4.14Å; Q103-V106 HydrophobicContact CB-CG2 4.27Å; Q103-V106 PolarHBondContact O-N 3.38Å; D104-V106 PolarHBondContact O-N 3.21Å; V106-H109 PolarHBondContact O-N 2.99Å; V106-R110 VanDerWaalsContact O-CG 3.29Å; V106-R110 WeakPolarHBondContact O-CG 3.48Å; V106-R110 PolarHBondContact O-N 2.83Å
107L97.3Very high97.1Very high0 Ų056.3 Ų56.30%029%0.288CS..Hα-helixtrans-64-48177.1-174.358.3000111V102 Q103 D104 H109 R110 L111 I204 A205 L213 I215V102-L107 HydrophobicContact CG1-CB 4.01Å; V102-L107 HydrophobicContact CG1-CD1 4.49Å; Q103-L107 WeakPolarHBondContact O-CB 3.35Å; Q103-L107 PolarHBondContact O-N 2.97Å; D104-L107 PolarHBondContact O-N 3.27Å; L107-H109 VanDerWaalsContact C-N 3.34Å; L107-H109 PolarHBondContact O-N 3.14Å; L107-R110 PolarHBondContact O-N 3.23Å; L107-L111 HydrophobicContact CG-CD1 4.17Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 2.84Å; L107-I204 HydrophobicContact CD1-CG2 3.52Å; L107-A205 HydrophobicContact CD1-CB 4.39Å; L107-L213 HydrophobicContact CD2-CD2 3.92Å; L107-I215 HydrophobicContact CD2-CD1 3.44Å; L107-I215 VanDerWaalsContact CD2-CD1 3.44Å; L107-I215 HydrophobicContact CG-CD1 4.19Å
108A97.5Very high96.9Very high29 Ų2953.8 Ų53.824%0.2428%0.276CS..Hα-helixtrans-59.7-43.8176.600000111.8V93 D104 R110 L111 G112V93-A108 HydrophobicContact CB-CB 4.04Å; V93-A108 HydrophobicContact CG1-CB 4.31Å; V93-A108 HydrophobicContact CG2-CB 3.99Å; D104-A108 WeakPolarHBondContact O-CB 3.48Å; D104-A108 PolarHBondContact O-N 3.35Å; A108-R110 PolarHBondContact O-N 2.85Å; A108-L111 PolarHBondContact O-N 3.04Å; A108-G112 PolarHBondContact O-N 3.41Å
109H98Very high96.7Very high112 Ų11254.4 Ų54.452%0.51928%0.279SS..Hα-helixtrans-60.9-43.3175.4178.1-84.7000112.2E105 V106 L107 G112 L113E105-H109 WeakPolarHBondContact O-CB 3.25Å; E105-H109 PolarHBondContact O-N 3.16Å; V106-H109 PolarHBondContact O-N 2.99Å; L107-H109 VanDerWaalsContact C-N 3.34Å; L107-H109 PolarHBondContact O-N 3.14Å; H109-G112 PolarHBondContact O-N 3.31Å; H109-L113 VanDerWaalsContact CE1-CD1 3.48Å; H109-L113 WeakPolarHBondContact CE1-CD1 3.46Å; H109-L113 PolarHBondContact O-N 2.91Å
110R97.8Very high96.6Very high114 Ų11451.8 Ų51.843%0.4326%0.263SS..Hα-helixtrans-63.4-43.5176.8-72.1178.176.279.87.1112V106 L107 A108 G112 L113 L203 I204V106-R110 VanDerWaalsContact O-CG 3.29Å; V106-R110 WeakPolarHBondContact O-CG 3.48Å; V106-R110 PolarHBondContact O-N 2.83Å; L107-R110 PolarHBondContact O-N 3.23Å; A108-R110 PolarHBondContact O-N 2.85Å; R110-G112 VanDerWaalsContact C-N 3.32Å; R110-L113 PolarHBondContact O-N 3.23Å; R110-L203 PolarHBondContact NH2-O 2.93Å; R110-I204 PolarHBondContact NE-O 3.38Å
111L97.6Very high96.3Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-62-40.9176.9-69.6169.1000111.1I90 V93 L107 A108 L113 I114 L147 I178 I204 I215 M217I90-L111 HydrophobicContact CD1-CB 4.41Å; I90-L111 WeakPolarHBondContact CD1-O 3.45Å; V93-L111 HydrophobicContact CG1-CD1 3.99Å; L107-L111 HydrophobicContact CG-CD1 4.17Å; L107-L111 VanDerWaalsContact O-CG 3.31Å; L107-L111 WeakPolarHBondContact O-CG 3.46Å; L107-L111 PolarHBondContact O-N 2.84Å; A108-L111 PolarHBondContact O-N 3.04Å; L111-L113 PolarHBondContact O-N 2.81Å; L111-L113 VanDerWaalsContact O-N 3.15Å; L111-I114 HydrophobicContact CD2-CD1 4Å; L111-I114 PolarHBondContact O-N 2.87Å; L111-I114 VanDerWaalsContact O-N 3.12Å; L111-L147 HydrophobicContact CD2-CD2 4.34Å; L111-I178 HydrophobicContact CD2-CD1 4.29Å; L111-I204 HydrophobicContact CD2-CD1 3.92Å; L111-I204 HydrophobicContact CD2-CG2 3.82Å; L111-I204 HydrophobicContact CG-CG2 4.34Å; L111-I215 HydrophobicContact CD1-CD1 4.28Å; L111-I215 HydrophobicContact CD1-CG2 4.31Å; L111-M217 HydrophobicContact CB-SD 4.2Å; L111-M217 HydrophobicContact CD1-CG 4.44Å; L111-M217 HydrophobicContact CD1-SD 3.82Å; L111-M217 HydrophobicContact CD2-SD 3.83Å; L111-M217 HydrophobicContact CG-SD 4.16Å
112G97.3Very high96.1Very high6 Ų655.6 Ų55.66%0.06227%0.273CS..Hα-helixtrans-56.6-27.6175.500000115A108 H109 R110 K229A108-G112 PolarHBondContact O-N 3.41Å; H109-G112 PolarHBondContact O-N 3.31Å; R110-G112 VanDerWaalsContact C-N 3.32Å; G112-K229 WeakPolarHBondContact O-CB 3.43Å; G112-K229 WeakPolarHBondContact O-CD 3.48Å
113L97.8Very high95.9Very high91 Ų9154.2 Ų54.248%0.47626%0.264SS..THydrogen-bonded Turntrans-91-1.5-178.5-65.2175.5000114H109 R110 L111 P115 K229H109-L113 VanDerWaalsContact CE1-CD1 3.48Å; H109-L113 WeakPolarHBondContact CE1-CD1 3.46Å; H109-L113 PolarHBondContact O-N 2.91Å; R110-L113 PolarHBondContact O-N 3.23Å; L111-L113 PolarHBondContact O-N 2.81Å; L111-L113 VanDerWaalsContact O-N 3.15Å; L113-P115 WeakPolarHBondContact O-CD 3.29Å; L113-K229 HydrophobicContact CD2-CB 3.92Å
114I97.9Very high95.6Very high4 Ų455.3 Ų55.32%0.02127%0.269CS..SBendtrans-78.1119.2177.3-61.7175.3000108.4L111 I116 I178 P197 I202 I204L111-I114 HydrophobicContact CD2-CD1 4Å; L111-I114 PolarHBondContact O-N 2.87Å; L111-I114 VanDerWaalsContact O-N 3.12Å; I114-I116 HydrophobicContact CG2-CD1 4.25Å; I114-I116 PolarHBondContact O-N 3.08Å; I114-I178 HydrophobicContact CD1-CD1 3.79Å; I114-P197 HydrophobicContact CG2-CB 3.85Å; I114-P197 HydrophobicContact CG2-CG 4.35Å; I114-I202 HydrophobicContact CG2-CD1 4.36Å; I114-I204 HydrophobicContact CD1-CD1 3.83Å; I114-I204 HydrophobicContact CD1-CG1 3.92Å
115P96.9Very high95.3Very high23 Ų2356.5 Ų56.515%0.14927%0.271CS..PPolyproline II helixtrans-68.4129.2177.127.6-33.4000110.1L113 V198 I320L113-P115 WeakPolarHBondContact O-CD 3.29Å; P115-V198 HydrophobicContact CB-CB 4.33Å; P115-V198 HydrophobicContact CB-CG2 3.92Å; P115-V198 HydrophobicContact CG-CB 4.05Å; P115-V198 HydrophobicContact CG-CG2 4.21Å; P115-V198 WeakPolarHBondContact O-CG2 3.49Å; P115-V198 PolarHBondContact O-N 3.32Å; P115-I320 HydrophobicContact CB-CD1 4.05Å; P115-I320 HydrophobicContact CB-CG1 3.91Å
116I96.1Very high94.8Very high0 Ų053.8 Ų53.80%026%0.257CS..EExtended strand (participates in β ladder)trans-101.2128179.5-55.6-56000109.2I90 I114 A118 L145 I195 P197I90-I116 HydrophobicContact CD1-CD1 4.28Å; I90-I116 HydrophobicContact CG1-CG1 4.48Å; I114-I116 HydrophobicContact CG2-CD1 4.25Å; I114-I116 PolarHBondContact O-N 3.08Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 HydrophobicContact CG2-CB 4.34Å; I116-A118 PolarHBondContact O-N 2.79Å; I116-L145 HydrophobicContact CD1-CD1 3.69Å; I116-L145 HydrophobicContact CG1-CD1 4.21Å; I116-I195 HydrophobicContact CG2-CG2 4.47Å; I116-P197 HydrophobicContact CD1-CG 4.44Å
117K94.4Very high93.9Very high95 Ų9557.1 Ų57.141%0.41327%0.273SS..EExtended strand (participates in β ladder)trans-7984.7176.5-166.9173.8-174.7170.30109.5R196 V198K117-R196 VanDerWaalsContact CB-O 3.31Å; K117-R196 WeakPolarHBondContact CB-O 3.26Å; K117-R196 PolarHBondContact N-O 2.99Å; K117-V198 HydrophobicContact CB-CG2 3.97Å
118A93.2Very high92.4Very high7 Ų764.1 Ų64.16%0.05832%0.316CS..  trans-142.3136172.900000109M88 I116 P120 F123 I143M88-A118 HydrophobicContact CB-CB 4.2Å; M88-A118 HydrophobicContact CG-CB 3.95Å; I116-A118 VanDerWaalsContact C-N 3.34Å; I116-A118 HydrophobicContact CG2-CB 4.34Å; I116-A118 PolarHBondContact O-N 2.79Å; A118-P120 VanDerWaalsContact O-CD 3.25Å; A118-P120 WeakPolarHBondContact O-CD 3.17Å; A118-F123 HydrophobicContact CB-CE2 4.25Å; A118-I143 HydrophobicContact CB-CD1 3.51Å
119D93.1Very high90.5Very high43 Ų4364.9 Ų64.923%0.2333%0.327CS..  trans-73.9111.4179.2-173.3-17000109.8R121 L122 F123D119-R121 PolarHBondContact O-N 3Å; D119-R121 VanDerWaalsContact O-N 3.08Å; D119-R121 VanDerWaalsContact OD1-CB 3.26Å; D119-R121 WeakPolarHBondContact OD1-CB 3.43Å; D119-R121 VanDerWaalsContact OD1-CG 3.3Å; D119-R121 WeakPolarHBondContact OD1-CG 3.4Å; D119-R121 IonicContact OD1-CZ 2.7Å; D119-R121 PolarHBondContact OD1-N 2.91Å; D119-R121 IonicContact OD1-NE 3.69Å; D119-R121 PolarHBondContact OD1-NE 2.9Å; D119-R121 IonicContact OD1-NH2 3.4Å; D119-R121 IonicContact OD2-CZ 2.68Å; D119-R121 VanDerWaalsContact OD2-CZ 3.27Å; D119-R121 IonicContact OD2-NE 3.84Å; D119-R121 PolarHBondContact OD2-NE 3.1Å; D119-R121 VanDerWaalsContact OD2-NE 3.07Å; D119-R121 IonicContact OD2-NH2 3.45Å; D119-R121 PolarHBondContact OD2-NH2 2.82Å; D119-L122 HydrophobicContact CB-CD1 4.1Å; D119-L122 HydrophobicContact CB-CG 4.26Å; D119-L122 PolarHBondContact O-N 2.82Å; D119-F123 WeakPolarHBondContact O-CD2 3.47Å
120P93.6Very high88.1Confident3 Ų369.1 Ų69.12%0.01935%0.347CS..G310 helixtrans-67.5-11.6-175.930.1-36.4000112.9P86 M88 A118 L122 F123 K221 M321P86-P120 VanDerWaalsContact O-CG 3.28Å; P86-P120 WeakPolarHBondContact O-CG 3.25Å; M88-P120 HydrophobicContact CG-CB 4.35Å; A118-P120 VanDerWaalsContact O-CD 3.25Å; A118-P120 WeakPolarHBondContact O-CD 3.17Å; P120-L122 VanDerWaalsContact C-N 3.26Å; P120-L122 PolarHBondContact O-N 2.91Å; P120-F123 PolarHBondContact O-N 3.17Å; P120-K221 WeakPolarHBondContact O-CD 3.16Å; P120-K221 VanDerWaalsContact O-CE 3.24Å; P120-K221 WeakPolarHBondContact O-CE 3.35Å; P120-K221 PolarHBondContact O-NZ 3.47Å; P120-M321 HydrophobicContact CG-CE 3.51Å; P120-M321 HydrophobicContact CG-SD 3.94Å
121R92Very high85.7Confident134 Ų13473.1 Ų73.151%0.50637%0.37SS..G310 helixtrans-73.3-21.4178-59.8174.6-64.7179.85.9112.5D119 F123 E329D119-R121 PolarHBondContact O-N 3Å; D119-R121 VanDerWaalsContact O-N 3.08Å; D119-R121 VanDerWaalsContact OD1-CB 3.26Å; D119-R121 WeakPolarHBondContact OD1-CB 3.43Å; D119-R121 VanDerWaalsContact OD1-CG 3.3Å; D119-R121 WeakPolarHBondContact OD1-CG 3.4Å; D119-R121 IonicContact OD1-CZ 2.7Å; D119-R121 PolarHBondContact OD1-N 2.91Å; D119-R121 IonicContact OD1-NE 3.69Å; D119-R121 PolarHBondContact OD1-NE 2.9Å; D119-R121 IonicContact OD1-NH2 3.4Å; D119-R121 IonicContact OD2-CZ 2.68Å; D119-R121 VanDerWaalsContact OD2-CZ 3.27Å; D119-R121 IonicContact OD2-NE 3.84Å; D119-R121 PolarHBondContact OD2-NE 3.1Å; D119-R121 VanDerWaalsContact OD2-NE 3.07Å; D119-R121 IonicContact OD2-NH2 3.45Å; D119-R121 PolarHBondContact OD2-NH2 2.82Å; R121-F123 VanDerWaalsContact C-N 3.33Å; R121-E329 IonicContact NH1-OE1 2.62Å
122L91.7Very high83.4Confident96 Ų9675.8 Ų75.850%0.50339%0.389SS..G310 helixtrans-86.4-7.6179.5-58.7177000112.9D119 P120 F190D119-L122 HydrophobicContact CB-CD1 4.1Å; D119-L122 HydrophobicContact CB-CG 4.26Å; D119-L122 PolarHBondContact O-N 2.82Å; P120-L122 VanDerWaalsContact C-N 3.26Å; P120-L122 PolarHBondContact O-N 2.91Å; L122-F190 HydrophobicContact CB-CE1 3.98Å; L122-F190 HydrophobicContact CB-CZ 4.19Å; L122-F190 HydrophobicContact CD1-CD1 4.29Å; L122-F190 HydrophobicContact CD1-CE1 3.6Å; L122-F190 HydrophobicContact CG-CE1 4.43Å
123F92Very high80.9Confident5 Ų579.9 Ų79.92%0.02242%0.422CS..SBendtrans-117145.9-178.6-60.4-85.6000111.4M88 A118 D119 P120 R121 I140 I143 F190 K221M88-F123 HydrophobicContact CE-CB 4.05Å; M88-F123 HydrophobicContact CE-CD1 4.07Å; M88-F123 HydrophobicContact CE-CD2 3.97Å; M88-F123 HydrophobicContact CE-CE2 4.49Å; M88-F123 HydrophobicContact CE-CG 3.75Å; M88-F123 HydrophobicContact CG-CD2 4.22Å; M88-F123 HydrophobicContact SD-CB 3.93Å; M88-F123 HydrophobicContact SD-CD2 3.94Å; M88-F123 HydrophobicContact SD-CG 4.01Å; A118-F123 HydrophobicContact CB-CE2 4.25Å; D119-F123 WeakPolarHBondContact O-CD2 3.47Å; P120-F123 PolarHBondContact O-N 3.17Å; R121-F123 VanDerWaalsContact C-N 3.33Å; F123-I140 WeakPolarHBondContact CA-O 3.49Å; F123-I143 HydrophobicContact CD1-CG1 4.41Å; F123-I143 HydrophobicContact CE1-CD1 4.04Å; F123-I143 HydrophobicContact CE1-CG1 3.62Å; F123-I143 HydrophobicContact CE2-CD1 3.85Å; F123-I143 HydrophobicContact CE2-CG1 4.37Å; F123-I143 HydrophobicContact CZ-CD1 3.52Å; F123-I143 HydrophobicContact CZ-CG1 3.59Å; F123-F190 HydrophobicContact CE1-CE2 4Å; F123-F190 AromaticContact CE1-CZ 3.71Å; F123-F190 HydrophobicContact CE1-CZ 3.71Å; F123-F190 AromaticContact CE2-CE1 3.93Å; F123-F190 HydrophobicContact CE2-CE1 3.93Å; F123-F190 AromaticContact CE2-CZ 3.79Å; F123-F190 HydrophobicContact CE2-CZ 3.79Å; F123-F190 AromaticContact CZ-CE1 3.69Å; F123-F190 HydrophobicContact CZ-CE1 3.69Å; F123-F190 AromaticContact CZ-CE2 3.74Å; F123-F190 HydrophobicContact CZ-CE2 3.74Å; F123-F190 AromaticContact CZ-CZ 3.2Å; F123-F190 HydrophobicContact CZ-CZ 3.2Å; F123-K221 VanDerWaalsContact O-CD 3.24Å; F123-K221 WeakPolarHBondContact O-CD 3.31Å; F123-K221 PolarHBondContact O-NZ 2.91Å
124E92.1Very high78.7Confident130 Ų13082 Ų8261%0.60743%0.429SS*.PPolyproline II helixtrans-88.5165.6173-65.5-171170.700111.4I140E124-I140 HydrophobicContact CB-CG2 4.21Å; E124-I140 HydrophobicContact CG-CG2 3.91Å; E124-I140 PolarHBondContact N-O 2.8Å
125F91.2Very high76.8Confident104 Ų10488.7 Ų88.746%0.45646%0.461SS..PPolyproline II helixtrans-76137.5170.7-75.5-83000109.2P86 N127 K221 I223P86-F125 HydrophobicContact CB-CZ 3.99Å; F125-N127 PolarHBondContact O-N 2.92Å; F125-K221 HydrophobicContact CD1-CB 4.3Å; F125-K221 HydrophobicContact CD1-CD 4.4Å; F125-K221 HydrophobicContact CD1-CG 4.08Å; F125-K221 HydrophobicContact CD2-CD 4.25Å; F125-K221 HydrophobicContact CE1-CB 4.49Å; F125-K221 HydrophobicContact CE1-CD 4.32Å; F125-K221 HydrophobicContact CE1-CG 3.85Å; F125-K221 HydrophobicContact CE2-CD 4.16Å; F125-K221 HydrophobicContact CG-CD 4.38Å; F125-K221 HydrophobicContact CZ-CD 4.2Å; F125-K221 HydrophobicContact CZ-CG 4.11Å; F125-I223 HydrophobicContact CE1-CG2 4.32Å; F125-I223 HydrophobicContact CZ-CG2 4.19Å
126K85.8Confident75.4Confident71 Ų7194.3 Ų94.331%0.30949%0.485SS..PPolyproline II helixtrans-63.8128.9174.4-173.3163.8-171.9164.70109.8T128 D141K126-T128 PolarHBondContact O-N 2.95Å; K126-D141 HydrophobicContact CB-CB 4.48Å
127N79.2Confident74.1Confident133 Ų13395.3 Ų95.371%0.71149%0.494SS*.PPolyproline II helixtrans-67.1129.5175.6-73.8-28.5000110F125 S132F125-N127 PolarHBondContact O-N 2.92Å; N127-S132 PolarHBondContact O-OG 2.71Å
128T66.2Low73.6Confident147 Ų14793 Ų9390%0.90249%0.49SS*.  trans-95.813.4-179.944.20000113.5K126K126-T128 PolarHBondContact O-N 2.95Å
129G56.8Low73.2Confident45 Ų4595.8 Ų95.846%0.46450%0.501SS..  trans-68.3146.3-177.900000113.5E131 S132G129-E131 PolarHBondContact O-N 2.8Å; G129-E131 VanDerWaalsContact O-N 3.08Å; G129-S132 PolarHBondContact O-N 3.42Å; G129-S132 VanDerWaalsContact O-N 3.14Å; G129-S132 PolarHBondContact O-OG 2.91Å
130E48.1Very low72.9Confident201 Ų20198.3 Ų98.394%0.93951%0.513SS*.THydrogen-bonded Turntrans-61.2-15.6-177.1-65179.8164.300114.2
131E47.8Very low72.8Confident197 Ų19799.1 Ų99.192%0.92152%0.518SS*.THydrogen-bonded Turntrans-91.2-11.2178.6-67.1-173.6163.800114.3G129 A133G129-E131 PolarHBondContact O-N 2.8Å; G129-E131 VanDerWaalsContact O-N 3.08Å; E131-A133 VanDerWaalsContact C-N 3.28Å; E131-A133 PolarHBondContact O-N 3.14Å
132S49.3Very low72.8Confident56 Ų5692.8 Ų92.839%0.39249%0.494SS..  trans-92.859.2170.644.50000110.6N127 G129 E134N127-S132 PolarHBondContact O-OG 2.71Å; G129-S132 PolarHBondContact O-N 3.42Å; G129-S132 VanDerWaalsContact O-N 3.14Å; G129-S132 PolarHBondContact O-OG 2.91Å; S132-E134 PolarHBondContact O-N 2.78Å; S132-E134 VanDerWaalsContact O-N 3.1Å
133A44.7Very low72.9Confident93 Ų9388.2 Ų88.277%0.76947%0.47SS*.  trans-67.87.316800000113E131 E135E131-A133 VanDerWaalsContact C-N 3.28Å; E131-A133 PolarHBondContact O-N 3.14Å; A133-E135 PolarHBondContact O-N 3.28Å
134E50.9Low73Confident134 Ų13490.3 Ų90.363%0.62648%0.48SS*.  trans-83.799.1171.2-69.2175.2-17000107.8S132 E136S132-E134 PolarHBondContact O-N 2.78Å; S132-E134 VanDerWaalsContact O-N 3.1Å; E134-E136 HydrophobicContact CB-CB 4.06Å; E134-E136 HydrophobicContact CB-CG 4.07Å; E134-E136 PolarHBondContact O-N 2.86Å
135E57.7Low73.2Confident146 Ų14684.1 Ų84.168%0.68245%0.451SS*.  trans-56.4-2.1158.3-63.4-17315200112.4A133A133-E135 PolarHBondContact O-N 3.28Å
136E67.5Low73.5Confident140 Ų14082 Ų8265%0.65444%0.442SS*.PPolyproline II helixtrans-62.5137.9177.5-56-164.6166.300111E134E134-E136 HydrophobicContact CB-CB 4.06Å; E134-E136 HydrophobicContact CB-CG 4.07Å; E134-E136 PolarHBondContact O-N 2.86Å
137A70Confident74.1Confident22 Ų2278.6 Ų78.618%0.18243%0.428CS..PPolyproline II helixtrans-79.5122.5176.300000108.4T142 I183A137-T142 HydrophobicContact CB-CG2 3.57Å; A137-I183 HydrophobicContact CB-CD1 3.42Å; A137-I183 VanDerWaalsContact CB-CD1 3.42Å
138S83.2Confident74.9Confident47 Ų4778.9 Ų78.933%0.32942%0.422SS..PPolyproline II helixtrans-88.3152.2172.5150.90000110.2I140 D141 T142S138-I140 PolarHBondContact O-N 3.38Å; S138-I140 PolarHBondContact OG-N 3.12Å; S138-I140 VanDerWaalsContact OG-N 3.16Å; S138-D141 VanDerWaalsContact CB-OD1 3.26Å; S138-D141 WeakPolarHBondContact CB-OD1 3.23Å; S138-D141 PolarHBondContact N-OD1 3.28Å; S138-T142 PolarHBondContact O-N 3.28Å
139E84.5Confident76.4Confident64 Ų6472.6 Ų72.630%0.29938%0.383SS..THydrogen-bonded Turntrans-59-28.8175.9-163.1-176.7148.900112.6N185 Q186E139-N185 VanDerWaalsContact CD-N 3.25Å; E139-N185 WeakPolarHBondContact OE1-CA 3.45Å; E139-N185 VanDerWaalsContact OE1-CB 3.3Å; E139-N185 WeakPolarHBondContact OE1-CB 3.46Å; E139-N185 PolarHBondContact OE1-N 2.85Å; E139-N185 PolarHBondContact OE2-N 3.15Å; E139-Q186 HydrophobicContact CG-CG 3.7Å; E139-Q186 PolarHBondContact O-NE2 3.48Å
140I87.3Confident78.3Confident96 Ų9676.3 Ų76.349%0.49239%0.387SS..THydrogen-bonded Turntrans-93.9-28.9-166.7-50.4172000112F123 E124 S138F123-I140 WeakPolarHBondContact CA-O 3.49Å; E124-I140 HydrophobicContact CB-CG2 4.21Å; E124-I140 HydrophobicContact CG-CG2 3.91Å; E124-I140 PolarHBondContact N-O 2.8Å; S138-I140 PolarHBondContact O-N 3.38Å; S138-I140 PolarHBondContact OG-N 3.12Å; S138-I140 VanDerWaalsContact OG-N 3.16Å
141D90.2Very high80.6Confident21 Ų2166.8 Ų66.811%0.11234%0.343CS..THydrogen-bonded Turntrans-116-17.2-17068.25.9000114.4K126 S138K126-D141 HydrophobicContact CB-CB 4.48Å; S138-D141 VanDerWaalsContact CB-OD1 3.26Å; S138-D141 WeakPolarHBondContact CB-OD1 3.23Å; S138-D141 PolarHBondContact N-OD1 3.28Å
142T92.4Very high82.9Confident0 Ų060 Ų600%032%0.316CS..EExtended strand (participates in β ladder)trans-130.5139.5-167.6-55.90000112.1A137 S138 Q186 H218 C219A137-T142 HydrophobicContact CB-CG2 3.57Å; S138-T142 PolarHBondContact O-N 3.28Å; T142-Q186 PolarHBondContact O-NE2 3.32Å; T142-H218 HydrophobicContact CG2-CB 3.72Å; T142-C219 WeakPolarHBondContact CA-O 3.44Å
143I93.5Very high85Confident0 Ų066.2 Ų66.20%033%0.331CS..EExtended strand (participates in β ladder)trans-110.5130167.8-59.8169.2000108M88 A118 F123 L145 I195 H218 C219M88-I143 HydrophobicContact CE-CD1 3.82Å; M88-I143 HydrophobicContact CE-CG1 4.06Å; M88-I143 HydrophobicContact CG-CD1 4.43Å; A118-I143 HydrophobicContact CB-CD1 3.51Å; F123-I143 HydrophobicContact CD1-CG1 4.41Å; F123-I143 HydrophobicContact CE1-CD1 4.04Å; F123-I143 HydrophobicContact CE1-CG1 3.62Å; F123-I143 HydrophobicContact CE2-CD1 3.85Å; F123-I143 HydrophobicContact CE2-CG1 4.37Å; F123-I143 HydrophobicContact CZ-CD1 3.52Å; F123-I143 HydrophobicContact CZ-CG1 3.59Å; I143-L145 HydrophobicContact CG2-CD2 4.08Å; I143-L145 HydrophobicContact CG2-CG 4.37Å; I143-I195 HydrophobicContact CD1-CD1 4.2Å; I143-I195 HydrophobicContact CD1-CG2 4.33Å; I143-I195 HydrophobicContact CG1-CD1 4.49Å; I143-I195 HydrophobicContact CG2-CG2 3.72Å; I143-H218 WeakPolarHBondContact O-CA 3.21Å; I143-C219 HydrophobicContact CB-CB 4.11Å; I143-C219 PolarHBondContact N-O 3.21Å; I143-C219 PolarHBondContact O-N 3.49Å
144Q95.1Very high87.3Confident49 Ų4963.6 Ų63.623%0.22930%0.304CS..EExtended strand (participates in β ladder)trans-97.9130.7174.7-177.6176.4-18.400111.3V181 I183 T216 M217Q144-V181 HydrophobicContact CG-CB 4.28Å; Q144-V181 PolarHBondContact O-N 3.19Å; Q144-I183 HydrophobicContact CB-CD1 3.82Å; Q144-I183 HydrophobicContact CB-CG1 4.16Å; Q144-T216 HydrophobicContact CG-CG2 3.76Å; Q144-M217 WeakPolarHBondContact CA-O 3.1Å
145L96.3Very high89.1Confident1 Ų163 Ų631%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-122.8148.7176-56.6175.1000109.6I90 I116 I143 I178 E179 W180 I195 T216 M217 C219I90-L145 HydrophobicContact CD1-CD1 4.22Å; I90-L145 HydrophobicContact CG1-CD1 4.31Å; I116-L145 HydrophobicContact CD1-CD1 3.69Å; I116-L145 HydrophobicContact CG1-CD1 4.21Å; I143-L145 HydrophobicContact CG2-CD2 4.08Å; I143-L145 HydrophobicContact CG2-CG 4.37Å; L145-I178 HydrophobicContact CB-CG2 3.76Å; L145-I178 HydrophobicContact CD1-CG2 3.92Å; L145-I178 HydrophobicContact CD2-CG2 4.34Å; L145-I178 HydrophobicContact CG-CG2 4.23Å; L145-E179 CarbonylContact C-O 3.54Å; L145-E179 WeakPolarHBondContact CA-O 3.43Å; L145-W180 HydrophobicContact CD2-CB 3.94Å; L145-W180 HydrophobicContact CD2-CG 4.47Å; L145-I195 HydrophobicContact CD2-CG2 4.35Å; L145-T216 CarbonylContact O-C 3.56Å; L145-T216 WeakPolarHBondContact O-CA 3.46Å; L145-M217 HydrophobicContact CB-CB 4.22Å; L145-M217 HydrophobicContact CB-CE 3.96Å; L145-M217 PolarHBondContact N-O 3.2Å; L145-M217 PolarHBondContact O-N 3.25Å; L145-C219 WeakPolarHBondContact CD1-SG 3.32Å
146Q97.3Very high90.6Very high59 Ų5967.1 Ų67.128%0.27632%0.321SS..EExtended strand (participates in β ladder)trans-127138.9179.3-170.3171.824.300111.1I178 E179 V181 I215Q146-I178 WeakPolarHBondContact O-CA 3.28Å; Q146-E179 PolarHBondContact N-O 3.29Å; Q146-E179 PolarHBondContact O-N 2.57Å; Q146-V181 HydrophobicContact CB-CG2 3.81Å; Q146-I215 WeakPolarHBondContact CA-O 3.24Å
147L97.3Very high91.5Very high0 Ų061.6 Ų61.60%030%0.3CS..EExtended strand (participates in β ladder)trans-127.2106.4172.4177.265.5000108.7L111 I149 V173 H177 I178 I204 I215 M217L111-L147 HydrophobicContact CD2-CD2 4.34Å; L147-I149 HydrophobicContact CD1-CD1 3.77Å; L147-I149 HydrophobicContact CD1-CG1 4.1Å; L147-V173 HydrophobicContact CD1-CG1 4.01Å; L147-V173 HydrophobicContact CD2-CG1 4.09Å; L147-H177 HydrophobicContact CD1-CB 3.85Å; L147-H177 WeakPolarHBondContact CD1-O 3.3Å; L147-I178 HydrophobicContact CD1-CG1 4.32Å; L147-I204 HydrophobicContact CD2-CD1 4.28Å; L147-I215 HydrophobicContact CB-CB 4.45Å; L147-I215 PolarHBondContact N-O 3.2Å; L147-I215 PolarHBondContact O-N 2.59Å; L147-M217 HydrophobicContact CB-CE 3.82Å
148K97.4Very high92.2Very high138 Ų13863.3 Ų63.360%0.631%0.311SS*.EExtended strand (participates in β ladder)trans-127.3105.9-180-171.3168.1-175.1136.20111.2L213 D214K148-L213 CarbonylContact C-O 3.56Å; K148-L213 VanDerWaalsContact CA-O 3.31Å; K148-L213 WeakPolarHBondContact CA-O 3.47Å; K148-D214 WeakPolarHBondContact CE-OD2 3.27Å; K148-D214 IonicContact NZ-OD2 2.95Å; K148-D214 PolarHBondContact NZ-OD2 3.41Å
149I96.9Very high91.9Very high15 Ų1571.1 Ų71.18%0.07734%0.339CS..EExtended strand (participates in β ladder)trans-138.3137.6-176.4-62.2-179.4000111.1L147 N170 V173 H177 L207 E212 L213L147-I149 HydrophobicContact CD1-CD1 3.77Å; L147-I149 HydrophobicContact CD1-CG1 4.1Å; I149-N170 HydrophobicContact CG2-CB 3.73Å; I149-V173 HydrophobicContact CD1-CB 4.2Å; I149-V173 HydrophobicContact CD1-CG1 3.57Å; I149-V173 HydrophobicContact CD1-CG2 3.97Å; I149-V173 HydrophobicContact CG2-CG2 4.29Å; I149-H177 HydrophobicContact CD1-CB 3.42Å; I149-H177 VanDerWaalsContact CD1-CB 3.42Å; I149-H177 WeakPolarHBondContact CD1-ND1 3.36Å; I149-H177 HydrophobicContact CG1-CB 4.22Å; I149-L207 HydrophobicContact CG2-CD1 4.16Å; I149-E212 CarbonylContact O-C 3.43Å; I149-E212 WeakPolarHBondContact O-CA 3.37Å; I149-E212 WeakPolarHBondContact O-CB 3.1Å; I149-L213 PolarHBondContact N-O 2.91Å; I149-L213 PolarHBondContact O-N 2.95Å
150K97.1Very high91.9Very high123 Ų12374.9 Ų74.954%0.53536%0.361SS..EExtended strand (participates in β ladder)trans-121.6129.5169.8-173.1168.3-167.3133.10110.7E212K150-E212 HydrophobicContact CB-CB 4.2Å; K150-E212 WeakPolarHBondContact CE-OE2 3.4Å; K150-E212 HydrophobicContact CG-CB 4.19Å; K150-E212 IonicContact NZ-OE2 2.69Å; K150-E212 PolarHBondContact NZ-OE2 3.49Å
151C96.8Very high91.7Very high2 Ų271.4 Ų71.41%0.01435%0.345CS..  trans-85.7133.2175.8-176.10000110.4L169 L207 R208 P209 G210 Q211C151-L169 PolarHBondContact SG-O 2.88Å; C151-L207 HydrophobicContact CB-CB 3.6Å; C151-L207 HydrophobicContact CB-CD1 4.09Å; C151-R208 WeakPolarHBondContact CB-O 3.42Å; C151-P209 WeakPolarHBondContact O-CA 3.39Å; C151-G210 PolarHBondContact O-N 2.96Å; C151-G210 VanDerWaalsContact O-N 3.1Å; C151-Q211 PolarHBondContact N-O 3.47Å
152S95.4Very high91.5Very high53 Ų5375.6 Ų75.637%0.37138%0.376SS..EExtended strand (participates in β ladder)trans-134.316017960.80000111.9Y168 L169S152-Y168 WeakPolarHBondContact O-CA 3.24Å; S152-L169 PolarHBondContact N-O 2.81Å; S152-L169 PolarHBondContact O-N 2.86Å
153R93.6Very high91.4Very high187 Ų18779.3 Ų79.371%0.70640%0.396SS*.EExtended strand (participates in β ladder)trans-74.1135.1171.9-75.8-172.7172.7174.8-2.5109.4P155 Y168 P209R153-P155 VanDerWaalsContact O-CD 3.24Å; R153-P155 WeakPolarHBondContact O-CD 3.4Å; R153-Y168 HydrophobicContact CG-CD1 4.19Å; R153-Y168 HydrophobicContact CG-CE1 4.21Å; R153-P209 HydrophobicContact CG-CB 3.82Å; R153-P209 HydrophobicContact CG-CG 3.58Å
154N92.8Very high91.2Very high38 Ų3881.6 Ų81.620%0.20341%0.411CS..  trans-74.7115.5174.3-177.75.3000109.7R156 A157 E166 L167 L169N154-R156 PolarHBondContact O-N 3.26Å; N154-R156 PolarHBondContact OD1-N 3.2Å; N154-A157 HydrophobicContact CB-CB 4.26Å; N154-A157 PolarHBondContact O-N 3.46Å; N154-E166 VanDerWaalsContact CB-O 3.27Å; N154-E166 WeakPolarHBondContact CB-O 3.17Å; N154-E166 PolarHBondContact ND2-O 2.77Å; N154-L167 WeakPolarHBondContact CB-O 3.36Å; N154-L167 PolarHBondContact N-O 3.14Å; N154-L169 HydrophobicContact CB-CD2 4.06Å; N154-L169 HydrophobicContact CB-CG 3.95Å
155P89.4Confident91Very high122 Ų12287 Ų8779%0.79243%0.429SS*.THydrogen-bonded Turntrans-67.7-17.7179.7-18.833.1000113.5R153R153-P155 VanDerWaalsContact O-CD 3.24Å; R153-P155 WeakPolarHBondContact O-CD 3.4Å
156R87.9Confident90.6Very high232 Ų23290.5 Ų90.588%0.87545%0.446SS*.THydrogen-bonded Turntrans-96.82.3-176.8-61.1-178179.7170.20.6113.6N154N154-R156 PolarHBondContact O-N 3.26Å; N154-R156 PolarHBondContact OD1-N 3.2Å
157A86.2Confident90.3Very high25 Ų2589.9 Ų89.921%0.20744%0.444CS..  trans-65.6141.2-178.800000111.3N154 E166 L167N154-A157 HydrophobicContact CB-CB 4.26Å; N154-A157 PolarHBondContact O-N 3.46Å; A157-E166 HydrophobicContact CB-CG 4.36Å; A157-E166 WeakPolarHBondContact CB-O 3.41Å; A157-L167 HydrophobicContact CB-CD2 4.1Å
158S85.8Confident90.2Very high58 Ų5892.2 Ų92.241%0.40645%0.453SS..  trans-60.9140.5171.3179.60000110.5D160 S161 E166S158-D160 PolarHBondContact O-N 3.04Å; S158-D160 PolarHBondContact OG-N 3.38Å; S158-S161 PolarHBondContact O-N 2.92Å; S158-E166 VanDerWaalsContact CB-OE1 3.23Å; S158-E166 WeakPolarHBondContact CB-OE1 2.92Å; S158-E166 PolarHBondContact N-OE1 2.68Å
159K77.3Confident90Very high210 Ų21089.1 Ų89.191%0.91344%0.442SS*.THydrogen-bonded Turntrans-64.1-21.9179.4-68.1-178.6-179.9177.50112.9
160D83.4Confident89.8Confident144 Ų14492.5 Ų92.577%0.7746%0.461SS*.THydrogen-bonded Turntrans-100.1-4.3-177.3-54.2-37.4000112.4S158 S162S158-D160 PolarHBondContact O-N 3.04Å; S158-D160 PolarHBondContact OG-N 3.38Å; D160-S162 PolarHBondContact O-N 3.5Å
161S83.7Confident89.8Confident23 Ų2387.5 Ų87.516%0.16144%0.439CS..  trans-74130.2-178-171.40000111.2S158 D163 E166S158-S161 PolarHBondContact O-N 2.92Å; S161-D163 PolarHBondContact OG-N 3.04Å; S161-E166 VanDerWaalsContact CB-CD 3.45Å; S161-E166 WeakPolarHBondContact CB-OE2 3.45Å; S161-E166 VanDerWaalsContact OG-CD 3.28Å; S161-E166 PolarHBondContact OG-OE2 2.71Å
162S85.9Confident89.7Confident109 Ų10988.8 Ų88.876%0.76245%0.446SS*.  trans-99.2-6.1173.5-58.20000112.8D160 P164D160-S162 PolarHBondContact O-N 3.5Å; S162-P164 WeakPolarHBondContact O-CD 3.32Å
163D90.3Very high89.8Confident78 Ų7886.3 Ų86.342%0.41743%0.428SS..  trans-78.2119.1-176.1-172.4-8.1000110.7S161 R165 E166 L167S161-D163 PolarHBondContact OG-N 3.04Å; D163-R165 PolarHBondContact O-N 3.32Å; D163-R165 VanDerWaalsContact O-N 3.09Å; D163-R165 WeakPolarHBondContact OD1-CB 3.36Å; D163-R165 PolarHBondContact OD1-N 3.33Å; D163-E166 HydrophobicContact CB-CB 4.5Å; D163-E166 PolarHBondContact O-N 2.82Å; D163-L167 WeakPolarHBondContact O-CG 3.25Å; D163-L167 PolarHBondContact O-N 2.78Å
164P89.3Confident90Very high48 Ų4880 Ų8031%0.31240%0.404SS..Hα-helixtrans-53.7-27.9174-26.936.7000114.1S162 E166 Y168S162-P164 WeakPolarHBondContact O-CD 3.32Å; P164-E166 VanDerWaalsContact C-N 3.34Å; P164-Y168 HydrophobicContact CB-CD2 3.94Å; P164-Y168 HydrophobicContact CB-CE2 4.15Å; P164-Y168 WeakPolarHBondContact O-CB 3.49Å; P164-Y168 WeakPolarHBondContact O-CD2 3.38Å; P164-Y168 PolarHBondContact O-N 2.98Å
165R90.1Very high90.3Very high162 Ų16278.1 Ų78.161%0.61140%0.395SS*.Hα-helixtrans-69.6-30.5178.3-63.1176171.5-176.8-0.5113.7D163 H171D163-R165 PolarHBondContact O-N 3.32Å; D163-R165 VanDerWaalsContact O-N 3.09Å; D163-R165 WeakPolarHBondContact OD1-CB 3.36Å; D163-R165 PolarHBondContact OD1-N 3.33Å; R165-H171 VanDerWaalsContact CA-CE1 3.41Å; R165-H171 WeakPolarHBondContact CA-CE1 3.26Å
166E89.9Confident90.6Very high75 Ų7578.1 Ų78.135%0.3538%0.382SS..Hα-helixtrans-84.5-40.2174.3-166.2-175.1153.400110.7N154 A157 S158 S161 D163 P164N154-E166 VanDerWaalsContact CB-O 3.27Å; N154-E166 WeakPolarHBondContact CB-O 3.17Å; N154-E166 PolarHBondContact ND2-O 2.77Å; A157-E166 HydrophobicContact CB-CG 4.36Å; A157-E166 WeakPolarHBondContact CB-O 3.41Å; S158-E166 VanDerWaalsContact CB-OE1 3.23Å; S158-E166 WeakPolarHBondContact CB-OE1 2.92Å; S158-E166 PolarHBondContact N-OE1 2.68Å; S161-E166 VanDerWaalsContact CB-CD 3.45Å; S161-E166 WeakPolarHBondContact CB-OE2 3.45Å; S161-E166 VanDerWaalsContact OG-CD 3.28Å; S161-E166 PolarHBondContact OG-OE2 2.71Å; D163-E166 HydrophobicContact CB-CB 4.5Å; D163-E166 PolarHBondContact O-N 2.82Å; P164-E166 VanDerWaalsContact C-N 3.34Å
167L90.9Very high91Very high45 Ų4569.1 Ų69.124%0.23635%0.35CS..Hα-helixtrans-70.2-32.2-175.6-68.6172.6000113.9N154 A157 D163N154-L167 WeakPolarHBondContact CB-O 3.36Å; N154-L167 PolarHBondContact N-O 3.14Å; A157-L167 HydrophobicContact CB-CD2 4.1Å; D163-L167 WeakPolarHBondContact O-CG 3.25Å; D163-L167 PolarHBondContact O-N 2.78Å
168Y93.9Very high91.5Very high49 Ų4968.4 Ų68.419%0.19234%0.343CS..EExtended strand (participates in β ladder)trans-131.2130.7-168.8-48.9-50.6000113.1S152 R153 P164 H171 P209S152-Y168 WeakPolarHBondContact O-CA 3.24Å; R153-Y168 HydrophobicContact CG-CD1 4.19Å; R153-Y168 HydrophobicContact CG-CE1 4.21Å; P164-Y168 HydrophobicContact CB-CD2 3.94Å; P164-Y168 HydrophobicContact CB-CE2 4.15Å; P164-Y168 WeakPolarHBondContact O-CB 3.49Å; P164-Y168 WeakPolarHBondContact O-CD2 3.38Å; P164-Y168 PolarHBondContact O-N 2.98Å; Y168-H171 HydrophobicContact CD2-CB 4.38Å; Y168-H171 HydrophobicContact CG-CB 4.44Å; Y168-H171 PolarHBondContact O-ND1 3.04Å; Y168-H171 VanDerWaalsContact O-ND1 3.11Å; Y168-P209 HydrophobicContact CD1-CG 3.27Å; Y168-P209 HydrophobicContact CE1-CG 3.49Å; Y168-P209 VanDerWaalsContact CE1-CG 3.49Å; Y168-P209 HydrophobicContact CG-CG 4.06Å
169L92.6Very high92Very high73 Ų7372 Ų7238%0.38235%0.353SS..EExtended strand (participates in β ladder)trans-84.4136.2171.2-56.9177000109.4C151 S152 N154 H171C151-L169 PolarHBondContact SG-O 2.88Å; S152-L169 PolarHBondContact N-O 2.81Å; S152-L169 PolarHBondContact O-N 2.86Å; N154-L169 HydrophobicContact CB-CD2 4.06Å; N154-L169 HydrophobicContact CB-CG 3.95Å; L169-H171 PolarHBondContact O-N 3.37Å
170N94.4Very high92.9Very high86 Ų8665 Ų6546%0.4632%0.321SS..THydrogen-bonded Turntrans56.927.5177.6-55.6-23.5000115I149 M172I149-N170 HydrophobicContact CG2-CB 3.73Å; N170-M172 VanDerWaalsContact C-N 3.26Å; N170-M172 PolarHBondContact O-N 3.05Å
171H95.4Very high93.4Very high18 Ų1860.2 Ų60.28%0.08330%0.297CS..  trans-73.7-17.1176.275.9-70.9000113.3R165 Y168 L169 Q206 L207R165-H171 VanDerWaalsContact CA-CE1 3.41Å; R165-H171 WeakPolarHBondContact CA-CE1 3.26Å; Y168-H171 HydrophobicContact CD2-CB 4.38Å; Y168-H171 HydrophobicContact CG-CB 4.44Å; Y168-H171 PolarHBondContact O-ND1 3.04Å; Y168-H171 VanDerWaalsContact O-ND1 3.11Å; L169-H171 PolarHBondContact O-N 3.37Å; H171-Q206 CarbonylContact O-C 3.45Å; H171-Q206 WeakPolarHBondContact O-CA 3.44Å; H171-L207 PolarHBondContact O-N 3.22Å
172M96.4Very high93.8Very high30 Ų3061.9 Ų61.915%0.14831%0.307CS..EExtended strand (participates in β ladder)trans-112.1120.2171.2-62.3-1789900108.7N170 Y174 H177 L203N170-M172 VanDerWaalsContact C-N 3.26Å; N170-M172 PolarHBondContact O-N 3.05Å; M172-Y174 HydrophobicContact CB-CD2 4.16Å; M172-Y174 HydrophobicContact CB-CE2 3.47Å; M172-Y174 VanDerWaalsContact CB-CE2 3.47Å; M172-Y174 HydrophobicContact SD-CE2 4.46Å; M172-Y174 PolarHBondContact SD-OH 3.31Å; M172-H177 PolarHBondContact O-CE1 2.86Å; M172-L203 HydrophobicContact CB-CD1 3.97Å; M172-L203 HydrophobicContact CE-CD1 4.12Å; M172-L203 HydrophobicContact CE-CD2 4.25Å; M172-L203 HydrophobicContact CG-CD1 4.45Å
173V97.2Very high93.9Very high0 Ų058.2 Ų58.20%028%0.279CS..EExtended strand (participates in β ladder)trans-96.4111.8178.8179.60000108.3L147 I149 I204 A205 L207 L213L147-V173 HydrophobicContact CD1-CG1 4.01Å; L147-V173 HydrophobicContact CD2-CG1 4.09Å; I149-V173 HydrophobicContact CD1-CB 4.2Å; I149-V173 HydrophobicContact CD1-CG1 3.57Å; I149-V173 HydrophobicContact CD1-CG2 3.97Å; I149-V173 HydrophobicContact CG2-CG2 4.29Å; V173-I204 HydrophobicContact CG1-CB 4.2Å; V173-I204 HydrophobicContact CG1-CD1 4.36Å; V173-I204 PolarHBondContact O-N 3.05Å; V173-A205 HydrophobicContact CB-CB 4.34Å; V173-A205 WeakPolarHBondContact CB-O 3.37Å; V173-A205 PolarHBondContact N-O 2.85Å; V173-L207 HydrophobicContact CG2-CD1 3.65Å; V173-L207 HydrophobicContact CG2-CG 3.87Å; V173-L213 HydrophobicContact CG1-CD1 4.42Å; V173-L213 HydrophobicContact CG2-CD1 4.17Å
174Y98.1Very high93.8Very high54 Ų5457.3 Ų57.321%0.21229%0.288CS..EExtended strand (participates in β ladder)trans-103.8161.7178.2-66.4-74.7000111.8M172 K176 H177 D201 I202 L203M172-Y174 HydrophobicContact CB-CD2 4.16Å; M172-Y174 HydrophobicContact CB-CE2 3.47Å; M172-Y174 VanDerWaalsContact CB-CE2 3.47Å; M172-Y174 HydrophobicContact SD-CE2 4.46Å; M172-Y174 PolarHBondContact SD-OH 3.31Å; Y174-K176 VanDerWaalsContact C-N 3.27Å; Y174-K176 PolarHBondContact O-N 2.79Å; Y174-H177 PolarHBondContact N-ND1 2.89Å; Y174-H177 VanDerWaalsContact N-ND1 3.17Å; Y174-H177 WeakPolarHBondContact O-CB 3.42Å; Y174-H177 PolarHBondContact O-N 3.05Å; Y174-H177 VanDerWaalsContact O-N 3.14Å; Y174-H177 PolarHBondContact O-ND1 3.37Å; Y174-D201 VanDerWaalsContact CD1-O 3.3Å; Y174-D201 WeakPolarHBondContact CD1-O 3.32Å; Y174-I202 CarbonylContact C-O 3.57Å; Y174-I202 VanDerWaalsContact CA-O 3.27Å; Y174-I202 WeakPolarHBondContact CA-O 3.27Å; Y174-L203 HydrophobicContact CD1-CB 4.37Å; Y174-L203 HydrophobicContact CD1-CD1 4.3Å; Y174-L203 HydrophobicContact CE1-CB 4.2Å; Y174-L203 HydrophobicContact CE1-CD1 3.99Å
175S97.4Very high93.8Very high0 Ų059.7 Ų59.70%030%0.298CS..G310 helixtrans-57.1-33.1175.246.30000113.9H177 I178 P197 H199 D200 D201 I202S175-H177 PolarHBondContact O-N 3.09Å; S175-I178 VanDerWaalsContact O-CB 3.26Å; S175-I178 WeakPolarHBondContact O-CB 3.34Å; S175-I178 WeakPolarHBondContact O-CG1 3.41Å; S175-I178 PolarHBondContact O-N 3.21Å; S175-P197 WeakPolarHBondContact O-CG 3.25Å; S175-H199 VanDerWaalsContact CB-O 3.32Å; S175-H199 WeakPolarHBondContact CB-O 3.41Å; S175-H199 PolarHBondContact OG-O 3.07Å; S175-D200 PolarHBondContact OG-O 3.09Å; S175-D201 PolarHBondContact OG-N 3.38Å; S175-I202 PolarHBondContact N-O 3.23Å; S175-I202 PolarHBondContact OG-N 2.56Å; S175-I202 VanDerWaalsContact OG-N 3.09Å
176K96.6Very high93.7Very high121 Ų12152 Ų5253%0.52627%0.269SS..G310 helixtrans-57.1-17.8174.466.8-177.8-177.3177.70115.7Y174 I178 D200Y174-K176 VanDerWaalsContact C-N 3.27Å; Y174-K176 PolarHBondContact O-N 2.79Å; K176-I178 VanDerWaalsContact C-N 3.25Å; K176-D200 HydrophobicContact CB-CB 3.94Å; K176-D200 VanDerWaalsContact CB-O 3.25Å; K176-D200 WeakPolarHBondContact CB-O 3.44Å; K176-D200 WeakPolarHBondContact CG-O 3.44Å; K176-D200 PolarHBondContact N-O 2.98Å; K176-D200 VanDerWaalsContact N-O 3.07Å
177H96.9Very high93.6Very high44 Ų4450.5 Ų50.520%0.20427%0.269CS..G310 helixtrans-85.9-0.4177.8-51.5138.7000112.8L147 I149 M172 Y174 S175L147-H177 HydrophobicContact CD1-CB 3.85Å; L147-H177 WeakPolarHBondContact CD1-O 3.3Å; I149-H177 HydrophobicContact CD1-CB 3.42Å; I149-H177 VanDerWaalsContact CD1-CB 3.42Å; I149-H177 WeakPolarHBondContact CD1-ND1 3.36Å; I149-H177 HydrophobicContact CG1-CB 4.22Å; M172-H177 PolarHBondContact O-CE1 2.86Å; Y174-H177 PolarHBondContact N-ND1 2.89Å; Y174-H177 VanDerWaalsContact N-ND1 3.17Å; Y174-H177 WeakPolarHBondContact O-CB 3.42Å; Y174-H177 PolarHBondContact O-N 3.05Å; Y174-H177 VanDerWaalsContact O-N 3.14Å; Y174-H177 PolarHBondContact O-ND1 3.37Å; S175-H177 PolarHBondContact O-N 3.09Å
178I96.9Very high93.4Very high10 Ų1054.5 Ų54.55%0.05129%0.291CS..  trans-79.2118.7170.5-62.1174.3000107.3L111 I114 L145 Q146 L147 S175 K176 P197 I204 M217L111-I178 HydrophobicContact CD2-CD1 4.29Å; I114-I178 HydrophobicContact CD1-CD1 3.79Å; L145-I178 HydrophobicContact CB-CG2 3.76Å; L145-I178 HydrophobicContact CD1-CG2 3.92Å; L145-I178 HydrophobicContact CD2-CG2 4.34Å; L145-I178 HydrophobicContact CG-CG2 4.23Å; Q146-I178 WeakPolarHBondContact O-CA 3.28Å; L147-I178 HydrophobicContact CD1-CG1 4.32Å; S175-I178 VanDerWaalsContact O-CB 3.26Å; S175-I178 WeakPolarHBondContact O-CB 3.34Å; S175-I178 WeakPolarHBondContact O-CG1 3.41Å; S175-I178 PolarHBondContact O-N 3.21Å; K176-I178 VanDerWaalsContact C-N 3.25Å; I178-P197 HydrophobicContact CB-CG 3.92Å; I178-P197 HydrophobicContact CD1-CG 4.03Å; I178-P197 HydrophobicContact CG1-CG 4.47Å; I178-P197 HydrophobicContact CG2-CG 4.25Å; I178-I204 HydrophobicContact CD1-CD1 3.9Å; I178-I204 HydrophobicContact CG1-CD1 4.22Å; I178-M217 HydrophobicContact CG1-CE 4.3Å; I178-M217 HydrophobicContact CG2-CE 3.94Å
179E95.3Very high92.9Very high132 Ų13256.7 Ų56.762%0.61731%0.309SS*.EExtended strand (participates in β ladder)trans-104.7139.3-179.8-65.2179.4177.400109.8L145 Q146L145-E179 CarbonylContact C-O 3.54Å; L145-E179 WeakPolarHBondContact CA-O 3.43Å; Q146-E179 PolarHBondContact N-O 3.29Å; Q146-E179 PolarHBondContact O-N 2.57Å
180W95.6Very high92.5Very high63 Ų6353.8 Ų53.824%0.23929%0.293CS..EExtended strand (participates in β ladder)trans-81.8131.6173.6169.252.7000110.4L145 P182 Q186 F190 I195L145-W180 HydrophobicContact CD2-CB 3.94Å; L145-W180 HydrophobicContact CD2-CG 4.47Å; W180-P182 HydrophobicContact CH2-CB 4.02Å; W180-P182 HydrophobicContact CZ2-CB 3.62Å; W180-Q186 HydrophobicContact CZ2-CB 3.96Å; W180-F190 HydrophobicContact CH2-CB 3.91Å; W180-F190 HydrophobicContact CZ2-CB 4.28Å; W180-I195 HydrophobicContact CB-CB 4.44Å; W180-I195 HydrophobicContact CB-CG2 4.22Å; W180-I195 HydrophobicContact CD2-CB 3.96Å; W180-I195 HydrophobicContact CD2-CD1 4.31Å; W180-I195 HydrophobicContact CD2-CG2 4.34Å; W180-I195 HydrophobicContact CE3-CB 4.33Å; W180-I195 HydrophobicContact CG-CB 4Å; W180-I195 HydrophobicContact CG-CG2 3.88Å; W180-I195 HydrophobicContact CH2-CD1 4.44Å; W180-I195 HydrophobicContact CZ2-CD1 3.82Å
181V94Very high91.7Very high44 Ų4453 Ų5327%0.26730%0.299SS..EExtended strand (participates in β ladder)trans-112.4104.8175.9-178.20000107.3Q144 Q146Q144-V181 HydrophobicContact CG-CB 4.28Å; Q144-V181 PolarHBondContact O-N 3.19Å; Q146-V181 HydrophobicContact CB-CG2 3.81Å
182P91.9Very high90.8Very high59 Ų5959.9 Ų59.938%0.38334%0.336SS..  trans-66.5140-177.825.4-32.7000111.4W180 Q186 A187W180-P182 HydrophobicContact CH2-CB 4.02Å; W180-P182 HydrophobicContact CZ2-CB 3.62Å; P182-Q186 HydrophobicContact CB-CB 4.28Å; P182-A187 HydrophobicContact CB-CB 3.87Å; P182-A187 HydrophobicContact CG-CB 4.03Å
183I89.4Confident89.7Confident31 Ų3160.8 Ų60.816%0.15935%0.346CS..  trans-104.1137.8173.1-58.8164000108.5A137 Q144 N185 Q186A137-I183 HydrophobicContact CB-CD1 3.42Å; A137-I183 VanDerWaalsContact CB-CD1 3.42Å; Q144-I183 HydrophobicContact CB-CD1 3.82Å; Q144-I183 HydrophobicContact CB-CG1 4.16Å; I183-N185 PolarHBondContact O-N 3.4Å; I183-Q186 VanDerWaalsContact O-CB 3.23Å; I183-Q186 WeakPolarHBondContact O-CB 3.32Å; I183-Q186 WeakPolarHBondContact O-CG 3.37Å; I183-Q186 PolarHBondContact O-N 3.06Å
184G88.2Confident88.9Confident59 Ų5965.2 Ų65.261%0.60838%0.376SS*.THydrogen-bonded Turntrans56.2-128.6175.300000112.7
185N87.8Confident88.6Confident99 Ų9963.1 Ų63.153%0.52937%0.368SS..THydrogen-bonded Turntrans-90.911.1178.6-50.2-52.7000114E139 I183 A187 D188 V189E139-N185 VanDerWaalsContact CD-N 3.25Å; E139-N185 WeakPolarHBondContact OE1-CA 3.45Å; E139-N185 VanDerWaalsContact OE1-CB 3.3Å; E139-N185 WeakPolarHBondContact OE1-CB 3.46Å; E139-N185 PolarHBondContact OE1-N 2.85Å; E139-N185 PolarHBondContact OE2-N 3.15Å; I183-N185 PolarHBondContact O-N 3.4Å; N185-A187 PolarHBondContact O-N 3.23Å; N185-A187 VanDerWaalsContact O-N 3.14Å; N185-D188 PolarHBondContact O-N 3.11Å; N185-V189 PolarHBondContact O-N 3.17Å; N185-V189 VanDerWaalsContact O-N 3.1Å
186Q88.3Confident88.4Confident1 Ų167.4 Ų67.41%0.00538%0.384CS..Hα-helixtrans-57-31.8178.4-73.5-176.6-8.700112.7E139 T142 W180 P182 I183 D188 V189 F190E139-Q186 HydrophobicContact CG-CG 3.7Å; E139-Q186 PolarHBondContact O-NE2 3.48Å; T142-Q186 PolarHBondContact O-NE2 3.32Å; W180-Q186 HydrophobicContact CZ2-CB 3.96Å; P182-Q186 HydrophobicContact CB-CB 4.28Å; I183-Q186 VanDerWaalsContact O-CB 3.23Å; I183-Q186 WeakPolarHBondContact O-CB 3.32Å; I183-Q186 WeakPolarHBondContact O-CG 3.37Å; I183-Q186 PolarHBondContact O-N 3.06Å; Q186-D188 PolarHBondContact O-N 3.24Å; Q186-V189 PolarHBondContact O-N 2.66Å; Q186-F190 HydrophobicContact CB-CD2 3.82Å; Q186-F190 HydrophobicContact CB-CE2 4.23Å; Q186-F190 HydrophobicContact CG-CD2 4.06Å; Q186-F190 HydrophobicContact CG-CE2 3.93Å; Q186-F190 WeakPolarHBondContact O-CB 3.4Å; Q186-F190 WeakPolarHBondContact O-CD2 3.48Å; Q186-F190 PolarHBondContact O-N 3.09Å
187A87.7Confident88.4Confident43 Ų4361.7 Ų61.736%0.35536%0.36SS..Hα-helixtrans-56.9-37.2176.800000112.4P182 N185 A191P182-A187 HydrophobicContact CB-CB 3.87Å; P182-A187 HydrophobicContact CG-CB 4.03Å; N185-A187 PolarHBondContact O-N 3.23Å; N185-A187 VanDerWaalsContact O-N 3.14Å; A187-A191 WeakPolarHBondContact O-CA 3.46Å; A187-A191 WeakPolarHBondContact O-CB 3.43Å; A187-A191 PolarHBondContact O-N 3.39Å
188D86.7Confident88.3Confident128 Ų12860.7 Ų60.768%0.68436%0.357SS*.Hα-helixtrans-84.7-43.4179.9-63.8-36000111.4N185 Q186 F190 A191N185-D188 PolarHBondContact O-N 3.11Å; Q186-D188 PolarHBondContact O-N 3.24Å; D188-F190 VanDerWaalsContact C-N 3.31Å; D188-F190 PolarHBondContact O-N 2.92Å; D188-A191 WeakPolarHBondContact O-CB 3.37Å; D188-A191 PolarHBondContact O-N 2.99Å
189V84.4Confident88.3Confident95 Ų9564 Ų6458%0.57637%0.371SS*.Hα-helixtrans-63.5-38.9-179.6176.40000111.6N185 Q186N185-V189 PolarHBondContact O-N 3.17Å; N185-V189 VanDerWaalsContact O-N 3.1Å; Q186-V189 PolarHBondContact O-N 2.66Å
190F84.5Confident88.3Confident12 Ų1261.3 Ų61.35%0.05336%0.362CS..THydrogen-bonded Turntrans-10619.4-177.3-60-74.3000112.3L122 F123 W180 Q186 D188 D192 S193 I195L122-F190 HydrophobicContact CB-CE1 3.98Å; L122-F190 HydrophobicContact CB-CZ 4.19Å; L122-F190 HydrophobicContact CD1-CD1 4.29Å; L122-F190 HydrophobicContact CD1-CE1 3.6Å; L122-F190 HydrophobicContact CG-CE1 4.43Å; F123-F190 HydrophobicContact CE1-CE2 4Å; F123-F190 AromaticContact CE1-CZ 3.71Å; F123-F190 HydrophobicContact CE1-CZ 3.71Å; F123-F190 AromaticContact CE2-CE1 3.93Å; F123-F190 HydrophobicContact CE2-CE1 3.93Å; F123-F190 AromaticContact CE2-CZ 3.79Å; F123-F190 HydrophobicContact CE2-CZ 3.79Å; F123-F190 AromaticContact CZ-CE1 3.69Å; F123-F190 HydrophobicContact CZ-CE1 3.69Å; F123-F190 AromaticContact CZ-CE2 3.74Å; F123-F190 HydrophobicContact CZ-CE2 3.74Å; F123-F190 AromaticContact CZ-CZ 3.2Å; F123-F190 HydrophobicContact CZ-CZ 3.2Å; W180-F190 HydrophobicContact CH2-CB 3.91Å; W180-F190 HydrophobicContact CZ2-CB 4.28Å; Q186-F190 HydrophobicContact CB-CD2 3.82Å; Q186-F190 HydrophobicContact CB-CE2 4.23Å; Q186-F190 HydrophobicContact CG-CD2 4.06Å; Q186-F190 HydrophobicContact CG-CE2 3.93Å; Q186-F190 WeakPolarHBondContact O-CB 3.4Å; Q186-F190 WeakPolarHBondContact O-CD2 3.48Å; Q186-F190 PolarHBondContact O-N 3.09Å; D188-F190 VanDerWaalsContact C-N 3.31Å; D188-F190 PolarHBondContact O-N 2.92Å; F190-D192 PolarHBondContact O-N 3.1Å; F190-S193 CarbonylContact O-C 3.56Å; F190-S193 WeakPolarHBondContact O-CA 3.37Å; F190-S193 PolarHBondContact O-N 2.96Å; F190-I195 HydrophobicContact CB-CD1 4.06Å; F190-I195 HydrophobicContact CD1-CD1 4.25Å; F190-I195 HydrophobicContact CD2-CD1 4.2Å; F190-I195 HydrophobicContact CG-CD1 3.91Å
191A76.6Confident88.4Confident71 Ų7163.9 Ų63.959%0.58738%0.38SS*.THydrogen-bonded Turntrans-53.9-38.8178.900000112.7A187 D188A187-A191 WeakPolarHBondContact O-CA 3.46Å; A187-A191 WeakPolarHBondContact O-CB 3.43Å; A187-A191 PolarHBondContact O-N 3.39Å; D188-A191 WeakPolarHBondContact O-CB 3.37Å; D188-A191 PolarHBondContact O-N 2.99Å
192D76.3Confident88.6Confident161 Ų16164.4 Ų64.486%0.86138%0.38SS*.THydrogen-bonded Turntrans-85.4-16.3175.7-65.5-34.1000113F190F190-D192 PolarHBondContact O-N 3.1Å
193S73.4Confident88.9Confident50 Ų5064 Ų6435%0.3538%0.375SS..SBendtrans-93.6103.6-179.8-66.30000110.3F190 I195F190-S193 CarbonylContact O-C 3.56Å; F190-S193 WeakPolarHBondContact O-CA 3.37Å; F190-S193 PolarHBondContact O-N 2.96Å; S193-I195 VanDerWaalsContact C-N 3.28Å; S193-I195 PolarHBondContact O-N 2.99Å
194C79.9Confident89.3Confident92 Ų9262.7 Ų62.762%0.62237%0.368SS*.  trans-7184173.6-65.90000110.4R196C194-R196 WeakPolarHBondContact O-CG 3.35Å; C194-R196 PolarHBondContact O-N 3.37Å; C194-R196 VanDerWaalsContact O-N 3.16Å
195I91.8Very high89.7Confident10 Ų1060.1 Ų60.15%0.05134%0.341CS..  trans-66.1111.2171.2-64.5176.4000107.9I116 I143 L145 W180 F190 S193I116-I195 HydrophobicContact CG2-CG2 4.47Å; I143-I195 HydrophobicContact CD1-CD1 4.2Å; I143-I195 HydrophobicContact CD1-CG2 4.33Å; I143-I195 HydrophobicContact CG1-CD1 4.49Å; I143-I195 HydrophobicContact CG2-CG2 3.72Å; L145-I195 HydrophobicContact CD2-CG2 4.35Å; W180-I195 HydrophobicContact CB-CB 4.44Å; W180-I195 HydrophobicContact CB-CG2 4.22Å; W180-I195 HydrophobicContact CD2-CB 3.96Å; W180-I195 HydrophobicContact CD2-CD1 4.31Å; W180-I195 HydrophobicContact CD2-CG2 4.34Å; W180-I195 HydrophobicContact CE3-CB 4.33Å; W180-I195 HydrophobicContact CG-CB 4Å; W180-I195 HydrophobicContact CG-CG2 3.88Å; W180-I195 HydrophobicContact CH2-CD1 4.44Å; W180-I195 HydrophobicContact CZ2-CD1 3.82Å; F190-I195 HydrophobicContact CB-CD1 4.06Å; F190-I195 HydrophobicContact CD1-CD1 4.25Å; F190-I195 HydrophobicContact CD2-CD1 4.2Å; F190-I195 HydrophobicContact CG-CD1 3.91Å; S193-I195 VanDerWaalsContact C-N 3.28Å; S193-I195 PolarHBondContact O-N 2.99Å
196R94.1Very high90.1Very high90 Ų9059.8 Ų59.834%0.3434%0.336SS..EExtended strand (participates in β ladder)trans-161.3167179.962-179.3179.489.6-1.9110.4K117 C194 D200K117-R196 VanDerWaalsContact CB-O 3.31Å; K117-R196 WeakPolarHBondContact CB-O 3.26Å; K117-R196 PolarHBondContact N-O 2.99Å; C194-R196 WeakPolarHBondContact O-CG 3.35Å; C194-R196 PolarHBondContact O-N 3.37Å; C194-R196 VanDerWaalsContact O-N 3.16Å; R196-D200 IonicContact NH1-OD1 3.22Å; R196-D200 PolarHBondContact NH1-OD1 3.47Å; R196-D200 IonicContact NH1-OD2 2.82Å
197P96.4Very high90.5Very high2 Ų259.8 Ų59.81%0.01334%0.336CS..EExtended strand (participates in β ladder)trans-55.2141.7164.8-26.538.2000111.3I114 I116 S175 I178 H199I114-P197 HydrophobicContact CG2-CB 3.85Å; I114-P197 HydrophobicContact CG2-CG 4.35Å; I116-P197 HydrophobicContact CD1-CG 4.44Å; S175-P197 WeakPolarHBondContact O-CG 3.25Å; I178-P197 HydrophobicContact CB-CG 3.92Å; I178-P197 HydrophobicContact CD1-CG 4.03Å; I178-P197 HydrophobicContact CG1-CG 4.47Å; I178-P197 HydrophobicContact CG2-CG 4.25Å; P197-H199 VanDerWaalsContact C-N 3.34Å
198V95.6Very high90.9Very high23 Ų2362.7 Ų62.714%0.13934%0.338CS..SBendtrans-62.3-46.1178.8174.70000110.8P115 K117 T318 I320P115-V198 HydrophobicContact CB-CB 4.33Å; P115-V198 HydrophobicContact CB-CG2 3.92Å; P115-V198 HydrophobicContact CG-CB 4.05Å; P115-V198 HydrophobicContact CG-CG2 4.21Å; P115-V198 WeakPolarHBondContact O-CG2 3.49Å; P115-V198 PolarHBondContact O-N 3.32Å; K117-V198 HydrophobicContact CB-CG2 3.97Å; V198-T318 WeakPolarHBondContact CG1-O 3.48Å; V198-I320 HydrophobicContact CG2-CG1 4.15Å
199H96.1Very high91.3Very high78 Ų7858.7 Ų58.736%0.36132%0.319SS..  trans-105.7131.1178.8-56.2-73.4000109.9S175 P197 I202S175-H199 VanDerWaalsContact CB-O 3.32Å; S175-H199 WeakPolarHBondContact CB-O 3.41Å; S175-H199 PolarHBondContact OG-O 3.07Å; P197-H199 VanDerWaalsContact C-N 3.34Å; H199-I202 HydrophobicContact CB-CD1 3.84Å; H199-I202 HydrophobicContact CB-CG1 3.86Å
200D96Very high91.8Very high77 Ų7757 Ų5741%0.41232%0.32SS..SBendtrans-87.4-11.2-174-70.8-12.3000113.2S175 K176 R196S175-D200 PolarHBondContact OG-O 3.09Å; K176-D200 HydrophobicContact CB-CB 3.94Å; K176-D200 VanDerWaalsContact CB-O 3.25Å; K176-D200 WeakPolarHBondContact CB-O 3.44Å; K176-D200 WeakPolarHBondContact CG-O 3.44Å; K176-D200 PolarHBondContact N-O 2.98Å; K176-D200 VanDerWaalsContact N-O 3.07Å; R196-D200 IonicContact NH1-OD1 3.22Å; R196-D200 PolarHBondContact NH1-OD1 3.47Å; R196-D200 IonicContact NH1-OD2 2.82Å
201D97.3Very high92.4Very high117 Ų11758 Ų5863%0.62633%0.325SS*.  trans-116.813-167.566.6-25.2000114.6Y174 S175 L203Y174-D201 VanDerWaalsContact CD1-O 3.3Å; Y174-D201 WeakPolarHBondContact CD1-O 3.32Å; S175-D201 PolarHBondContact OG-N 3.38Å; D201-L203 PolarHBondContact O-N 3.33Å
202I98.1Very high93.4Very high54 Ų5457.1 Ų57.128%0.27731%0.309SS..  trans-69.6118.5175-61.5172.2000108.8I114 Y174 S175 H199 I204I114-I202 HydrophobicContact CG2-CD1 4.36Å; Y174-I202 CarbonylContact C-O 3.57Å; Y174-I202 VanDerWaalsContact CA-O 3.27Å; Y174-I202 WeakPolarHBondContact CA-O 3.27Å; S175-I202 PolarHBondContact N-O 3.23Å; S175-I202 PolarHBondContact OG-N 2.56Å; S175-I202 VanDerWaalsContact OG-N 3.09Å; H199-I202 HydrophobicContact CB-CD1 3.84Å; H199-I202 HydrophobicContact CB-CG1 3.86Å; I202-I204 PolarHBondContact O-N 2.95Å
203L98.1Very high94.4Very high50 Ų5049.5 Ų49.526%0.26227%0.268SS..EExtended strand (participates in β ladder)trans-73.4119.1176.2-175.969.7000110.7R110 M172 Y174 D201 Q206R110-L203 PolarHBondContact NH2-O 2.93Å; M172-L203 HydrophobicContact CB-CD1 3.97Å; M172-L203 HydrophobicContact CE-CD1 4.12Å; M172-L203 HydrophobicContact CE-CD2 4.25Å; M172-L203 HydrophobicContact CG-CD1 4.45Å; Y174-L203 HydrophobicContact CD1-CB 4.37Å; Y174-L203 HydrophobicContact CD1-CD1 4.3Å; Y174-L203 HydrophobicContact CE1-CB 4.2Å; Y174-L203 HydrophobicContact CE1-CD1 3.99Å; D201-L203 PolarHBondContact O-N 3.33Å; L203-Q206 HydrophobicContact CD1-CG 4.33Å; L203-Q206 HydrophobicContact CD2-CG 4.11Å
204I97.2Very high95.5Very high5 Ų548.5 Ų48.53%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-92.4-56.1-179.2-56.7173.3000109.9L107 R110 L111 I114 L147 V173 I178 I202L107-I204 HydrophobicContact CD1-CG2 3.52Å; R110-I204 PolarHBondContact NE-O 3.38Å; L111-I204 HydrophobicContact CD2-CD1 3.92Å; L111-I204 HydrophobicContact CD2-CG2 3.82Å; L111-I204 HydrophobicContact CG-CG2 4.34Å; I114-I204 HydrophobicContact CD1-CD1 3.83Å; I114-I204 HydrophobicContact CD1-CG1 3.92Å; L147-I204 HydrophobicContact CD2-CD1 4.28Å; V173-I204 HydrophobicContact CG1-CB 4.2Å; V173-I204 HydrophobicContact CG1-CD1 4.36Å; V173-I204 PolarHBondContact O-N 3.05Å; I178-I204 HydrophobicContact CD1-CD1 3.9Å; I178-I204 HydrophobicContact CG1-CD1 4.22Å; I202-I204 PolarHBondContact O-N 2.95Å
205A97.2Very high96.4Very high4 Ų444.1 Ų44.13%0.03323%0.229CC..EExtended strand (participates in β ladder)trans-147.1159.5-176.400000111.4V102 L107 V173 L213V102-A205 HydrophobicContact CG2-CB 4.17Å; L107-A205 HydrophobicContact CD1-CB 4.39Å; V173-A205 HydrophobicContact CB-CB 4.34Å; V173-A205 WeakPolarHBondContact CB-O 3.37Å; V173-A205 PolarHBondContact N-O 2.85Å; A205-L213 HydrophobicContact CB-CD1 4.13Å
206Q96.8Very high96.7Very high93 Ų9344 Ų4444%0.43523%0.229SC..EExtended strand (participates in β ladder)trans-117.3133.9169.5-65-174.69.500109.6H171 L203H171-Q206 CarbonylContact O-C 3.45Å; H171-Q206 WeakPolarHBondContact O-CA 3.44Å; L203-Q206 HydrophobicContact CD1-CG 4.33Å; L203-Q206 HydrophobicContact CD2-CG 4.11Å
207L97Very high96.8Very high0 Ų039.7 Ų39.70%021%0.213CC..  trans-115166-175.2-57.2-179.1000111.5I149 C151 H171 V173 Q211 L213I149-L207 HydrophobicContact CG2-CD1 4.16Å; C151-L207 HydrophobicContact CB-CB 3.6Å; C151-L207 HydrophobicContact CB-CD1 4.09Å; H171-L207 PolarHBondContact O-N 3.22Å; V173-L207 HydrophobicContact CG2-CD1 3.65Å; V173-L207 HydrophobicContact CG2-CG 3.87Å; L207-Q211 HydrophobicContact CB-CB 4.38Å; L207-Q211 HydrophobicContact CD2-CB 4.21Å; L207-L213 HydrophobicContact CD2-CD1 4.31Å; L207-L213 HydrophobicContact CD2-CG 4.25Å
208R95.9Very high96.7Very high105 Ų10540.5 Ų40.540%0.39622%0.216SC..  trans-125.5158.6165.6-70.4-63.6-178.6-83.9-0.6110.3C151 G210 Q211C151-R208 WeakPolarHBondContact CB-O 3.42Å; R208-G210 PolarHBondContact O-N 3.25Å; R208-Q211 VanDerWaalsContact O-CB 3.31Å; R208-Q211 WeakPolarHBondContact O-CB 3.32Å; R208-Q211 WeakPolarHBondContact O-CG 3.29Å; R208-Q211 PolarHBondContact O-N 3.31Å
209P95.4Very high96.7Very high44 Ų4439.4 Ų39.429%0.28621%0.21SC..THydrogen-bonded Turntrans-53.7131.5-177.1-27.435000112.6C151 R153 Y168C151-P209 WeakPolarHBondContact O-CA 3.39Å; R153-P209 HydrophobicContact CG-CB 3.82Å; R153-P209 HydrophobicContact CG-CG 3.58Å; Y168-P209 HydrophobicContact CD1-CG 3.27Å; Y168-P209 HydrophobicContact CE1-CG 3.49Å; Y168-P209 VanDerWaalsContact CE1-CG 3.49Å; Y168-P209 HydrophobicContact CG-CG 4.06Å
210G93.9Very high96.6Very high58 Ų5836.7 Ų36.760%0.59820%0.199SC*.THydrogen-bonded Turntrans97.5-16-175.300000114C151 R208C151-G210 PolarHBondContact O-N 2.96Å; C151-G210 VanDerWaalsContact O-N 3.1Å; R208-G210 PolarHBondContact O-N 3.25Å
211Q97.4Very high96.7Very high34 Ų3434.6 Ų34.616%0.15919%0.186CC..  trans-85.5147.3172.3-57.9-176.9-4600111.5T99 C151 L207 R208T99-Q211 VanDerWaalsContact O-CG 3.28Å; T99-Q211 WeakPolarHBondContact O-CG 3.2Å; T99-Q211 PolarHBondContact O-NE2 3.35Å; T99-Q211 WeakPolarHBondContact OG1-CA 3.45Å; C151-Q211 PolarHBondContact N-O 3.47Å; L207-Q211 HydrophobicContact CB-CB 4.38Å; L207-Q211 HydrophobicContact CD2-CB 4.21Å; R208-Q211 VanDerWaalsContact O-CB 3.31Å; R208-Q211 WeakPolarHBondContact O-CB 3.32Å; R208-Q211 WeakPolarHBondContact O-CG 3.29Å; R208-Q211 PolarHBondContact O-N 3.31Å
212E96.9Very high96.6Very high53 Ų5329.4 Ų29.425%0.24816%0.16CC..EExtended strand (participates in β ladder)trans-144154.8179.261.5-172.9-146.400112N97 T99 I149 K150N97-E212 PolarHBondContact ND2-OE1 3.44Å; T99-E212 PolarHBondContact N-O 3.08Å; T99-E212 VanDerWaalsContact N-O 3.07Å; T99-E212 PolarHBondContact OG1-N 3.41Å; T99-E212 PolarHBondContact OG1-O 3.4Å; T99-E212 VanDerWaalsContact OG1-O 3.11Å; I149-E212 CarbonylContact O-C 3.43Å; I149-E212 WeakPolarHBondContact O-CA 3.37Å; I149-E212 WeakPolarHBondContact O-CB 3.1Å; K150-E212 HydrophobicContact CB-CB 4.2Å; K150-E212 WeakPolarHBondContact CE-OE2 3.4Å; K150-E212 HydrophobicContact CG-CB 4.19Å; K150-E212 IonicContact NZ-OE2 2.69Å; K150-E212 PolarHBondContact NZ-OE2 3.49Å
213L97.5Very high96.6Very high1 Ų129.4 Ų29.41%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-126126.6172.6-65.1177.5000107.8N97 N98 L107 K148 I149 V173 A205 L207 I215N97-L213 CarbonylContact O-C 3.55Å; N97-L213 WeakPolarHBondContact O-CA 3.21Å; N98-L213 HydrophobicContact CB-CD2 4.14Å; N98-L213 WeakPolarHBondContact OD1-CD2 3.22Å; L107-L213 HydrophobicContact CD2-CD2 3.92Å; K148-L213 CarbonylContact C-O 3.56Å; K148-L213 VanDerWaalsContact CA-O 3.31Å; K148-L213 WeakPolarHBondContact CA-O 3.47Å; I149-L213 PolarHBondContact N-O 2.91Å; I149-L213 PolarHBondContact O-N 2.95Å; V173-L213 HydrophobicContact CG1-CD1 4.42Å; V173-L213 HydrophobicContact CG2-CD1 4.17Å; A205-L213 HydrophobicContact CB-CD1 4.13Å; L207-L213 HydrophobicContact CD2-CD1 4.31Å; L207-L213 HydrophobicContact CD2-CG 4.25Å; L213-I215 HydrophobicContact CB-CD1 4.44Å; L213-I215 HydrophobicContact CD2-CD1 4.42Å
214D97.9Very high96.5Very high28 Ų2827.7 Ų27.715%0.1515%0.154CC..EExtended strand (participates in β ladder)trans-131.7103.9170.2-164.1-13.3000108.6Y96 N97 K148Y96-D214 PolarHBondContact N-O 3.48Å; N97-D214 HydrophobicContact CB-CB 4.42Å; N97-D214 PolarHBondContact N-O 2.96Å; N97-D214 PolarHBondContact O-N 3.34Å; K148-D214 WeakPolarHBondContact CE-OD2 3.27Å; K148-D214 IonicContact NZ-OD2 2.95Å; K148-D214 PolarHBondContact NZ-OD2 3.41Å
215I97.8Very high96.5Very high0 Ų034.9 Ų34.90%019%0.185CC..EExtended strand (participates in β ladder)trans-136.4134.6-168.1-53.5177.8000109.5V93 F94 I95 L107 L111 Q146 L147 L213 M217V93-I215 HydrophobicContact CG1-CG2 3.36Å; F94-I215 CarbonylContact O-C 3.59Å; F94-I215 WeakPolarHBondContact O-CA 3.4Å; I95-I215 HydrophobicContact CG1-CG1 4.33Å; I95-I215 HydrophobicContact CG1-CG2 4.35Å; L107-I215 HydrophobicContact CD2-CD1 3.44Å; L107-I215 VanDerWaalsContact CD2-CD1 3.44Å; L107-I215 HydrophobicContact CG-CD1 4.19Å; L111-I215 HydrophobicContact CD1-CD1 4.28Å; L111-I215 HydrophobicContact CD1-CG2 4.31Å; Q146-I215 WeakPolarHBondContact CA-O 3.24Å; L147-I215 HydrophobicContact CB-CB 4.45Å; L147-I215 PolarHBondContact N-O 3.2Å; L147-I215 PolarHBondContact O-N 2.59Å; L213-I215 HydrophobicContact CB-CD1 4.44Å; L213-I215 HydrophobicContact CD2-CD1 4.42Å; I215-M217 HydrophobicContact CG2-CG 4.04Å
216T97.1Very high96.4Very high7 Ų740.6 Ų40.64%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-112.3139.4167.7-64.70000109.5F94 Q144 L145F94-T216 PolarHBondContact N-O 3.16Å; F94-T216 PolarHBondContact O-N 2.87Å; Q144-T216 HydrophobicContact CG-CG2 3.76Å; L145-T216 CarbonylContact O-C 3.56Å; L145-T216 WeakPolarHBondContact O-CA 3.46Å
217M96.4Very high96.5Very high0 Ų039.9 Ų39.90%021%0.212CC..EExtended strand (participates in β ladder)trans-129.1137.3-173.4-65.1161.9-76.200109.5I90 K92 V93 L111 Q144 L145 L147 I178 I215I90-M217 HydrophobicContact CD1-CB 4.37Å; I90-M217 HydrophobicContact CD1-CG 4.47Å; I90-M217 HydrophobicContact CD1-SD 3.73Å; I90-M217 HydrophobicContact CG1-CB 4.31Å; I90-M217 HydrophobicContact CG2-CB 3.92Å; I90-M217 HydrophobicContact CG2-CG 4.16Å; K92-M217 CarbonylContact O-C 3.57Å; K92-M217 WeakPolarHBondContact O-CA 3.27Å; V93-M217 HydrophobicContact CG1-CG 4.25Å; V93-M217 HydrophobicContact CG2-CG 4.31Å; L111-M217 HydrophobicContact CB-SD 4.2Å; L111-M217 HydrophobicContact CD1-CG 4.44Å; L111-M217 HydrophobicContact CD1-SD 3.82Å; L111-M217 HydrophobicContact CD2-SD 3.83Å; L111-M217 HydrophobicContact CG-SD 4.16Å; Q144-M217 WeakPolarHBondContact CA-O 3.1Å; L145-M217 HydrophobicContact CB-CB 4.22Å; L145-M217 HydrophobicContact CB-CE 3.96Å; L145-M217 PolarHBondContact N-O 3.2Å; L145-M217 PolarHBondContact O-N 3.25Å; L147-M217 HydrophobicContact CB-CE 3.82Å; I178-M217 HydrophobicContact CG1-CE 4.3Å; I178-M217 HydrophobicContact CG2-CE 3.94Å; I215-M217 HydrophobicContact CG2-CG 4.04Å
218H95.3Very high96.5Very high19 Ų1943.5 Ų43.59%0.08824%0.242CC..EExtended strand (participates in β ladder)trans-108.3122.7172-66.1-179.6000109.3E91 K92 F94 T142 I143E91-H218 PolarHBondContact N-O 2.85Å; K92-H218 HydrophobicContact CB-CB 4.24Å; K92-H218 PolarHBondContact N-O 2.92Å; K92-H218 PolarHBondContact O-N 3.21Å; F94-H218 AromaticContact CE2-CD2 3.92Å; F94-H218 AromaticContact CE2-CE1 3.42Å; F94-H218 VanDerWaalsContact CE2-CE1 3.42Å; F94-H218 WeakPolarHBondContact CE2-CE1 3.34Å; F94-H218 AromaticContact CE2-CG 3.81Å; F94-H218 AromaticContact CE2-ND1 3.51Å; F94-H218 AromaticContact CE2-NE2 3.67Å; F94-H218 AromaticContact CZ-CE1 3.97Å; T142-H218 HydrophobicContact CG2-CB 3.72Å; I143-H218 WeakPolarHBondContact O-CA 3.21Å
219C95.3Very high96.6Very high0 Ų040.2 Ų40.20%023%0.23CC..EExtended strand (participates in β ladder)trans-94.8137.2169.6-49.40000110.2A89 I90 T142 I143 L145A89-C219 CarbonylContact O-C 3.58Å; A89-C219 WeakPolarHBondContact O-CA 3.4Å; I90-C219 WeakPolarHBondContact CG1-SG 3.48Å; T142-C219 WeakPolarHBondContact CA-O 3.44Å; I143-C219 HydrophobicContact CB-CB 4.11Å; I143-C219 PolarHBondContact N-O 3.21Å; I143-C219 PolarHBondContact O-N 3.49Å; L145-C219 WeakPolarHBondContact CD1-SG 3.32Å
220V95.3Very high96.7Very high22 Ų2238.2 Ų38.213%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-129.7162.3177.6-57.80000109.7M88 A89 E91 F230M88-V220 WeakPolarHBondContact CA-O 3.34Å; A89-V220 PolarHBondContact N-O 2.86Å; A89-V220 VanDerWaalsContact N-O 3.14Å; A89-V220 PolarHBondContact O-N 3.35Å; E91-V220 HydrophobicContact CB-CG2 3.71Å; E91-V220 HydrophobicContact CG-CG2 4.17Å; V220-F230 HydrophobicContact CG2-CZ 4.45Å
221K96.2Very high96.9Very high32 Ų3236.5 Ų36.514%0.13920%0.196CC..EExtended strand (participates in β ladder)trans-76.7129.8172.5-171.6173.1176.2168.50110.6P86 T87 M88 P120 F123 F125P86-K221 HydrophobicContact CB-CG 4.11Å; T87-K221 WeakPolarHBondContact O-CA 3.18Å; M88-K221 VanDerWaalsContact SD-CA 3.6Å; M88-K221 HydrophobicContact SD-CB 3.67Å; M88-K221 HydrophobicContact SD-CG 4.29Å; P120-K221 WeakPolarHBondContact O-CD 3.16Å; P120-K221 VanDerWaalsContact O-CE 3.24Å; P120-K221 WeakPolarHBondContact O-CE 3.35Å; P120-K221 PolarHBondContact O-NZ 3.47Å; F123-K221 VanDerWaalsContact O-CD 3.24Å; F123-K221 WeakPolarHBondContact O-CD 3.31Å; F123-K221 PolarHBondContact O-NZ 2.91Å; F125-K221 HydrophobicContact CD1-CB 4.3Å; F125-K221 HydrophobicContact CD1-CD 4.4Å; F125-K221 HydrophobicContact CD1-CG 4.08Å; F125-K221 HydrophobicContact CD2-CD 4.25Å; F125-K221 HydrophobicContact CE1-CB 4.49Å; F125-K221 HydrophobicContact CE1-CD 4.32Å; F125-K221 HydrophobicContact CE1-CG 3.85Å; F125-K221 HydrophobicContact CE2-CD 4.16Å; F125-K221 HydrophobicContact CG-CD 4.38Å; F125-K221 HydrophobicContact CZ-CD 4.2Å; F125-K221 HydrophobicContact CZ-CG 4.11Å
222G96.1Very high96.8Very high8 Ų834.9 Ų34.98%0.08219%0.189CC..EExtended strand (participates in β ladder)trans-148173.1177.800000112.5P86 T87P86-G222 CarbonylContact C-O 3.51Å; P86-G222 WeakPolarHBondContact CA-O 3.34Å; P86-G222 WeakPolarHBondContact CB-O 3.43Å; T87-G222 PolarHBondContact N-O 2.75Å; T87-G222 PolarHBondContact O-N 2.78Å
223I97.3Very high96.9Very high55 Ų5532.6 Ų32.628%0.28218%0.178SC..EExtended strand (participates in β ladder)trans-116.6147.6179.160.5171.4000111.2P86 F125 K225 D226 H227 F230P86-I223 HydrophobicContact CB-CG2 4.07Å; F125-I223 HydrophobicContact CE1-CG2 4.32Å; F125-I223 HydrophobicContact CZ-CG2 4.19Å; I223-K225 HydrophobicContact CD1-CB 3.98Å; I223-K225 HydrophobicContact CG1-CB 4.27Å; I223-K225 PolarHBondContact O-N 3.2Å; I223-K225 VanDerWaalsContact O-N 3.08Å; I223-D226 HydrophobicContact CG1-CB 4.3Å; I223-D226 WeakPolarHBondContact O-CB 3.31Å; I223-D226 PolarHBondContact O-N 3.45Å; I223-H227 PolarHBondContact O-N 3.21Å; I223-F230 VanDerWaalsContact C-CB 3.44Å
224G96.6Very high96.8Very high13 Ų1335.9 Ų35.913%0.13421%0.205CC..THydrogen-bonded Turntrans-59.5-22.6-178.400000115A83 D226 H227A83-G224 CarbonylContact O-C 3.51Å; A83-G224 PolarHBondContact O-N 3.11Å; A83-G224 VanDerWaalsContact O-N 3.13Å; G224-D226 VanDerWaalsContact C-N 3.29Å; G224-D226 PolarHBondContact O-N 3.45Å; G224-H227 WeakPolarHBondContact CA-O 3.37Å; G224-H227 CarbonylContact O-C 3.43Å
225K97.4Very high96.7Very high156 Ų15637.4 Ų37.468%0.67822%0.216SC*.THydrogen-bonded Turntrans-65.9-32.2175.6-172.6-179.6177.3-172.10112.2A83 I223A83-K225 HydrophobicContact CB-CB 4.17Å; A83-K225 WeakPolarHBondContact O-CB 3.25Å; A83-K225 PolarHBondContact O-N 2.95Å; I223-K225 HydrophobicContact CD1-CB 3.98Å; I223-K225 HydrophobicContact CG1-CB 4.27Å; I223-K225 PolarHBondContact O-N 3.2Å; I223-K225 VanDerWaalsContact O-N 3.08Å
226D95.9Very high96.6Very high124 Ų12437.5 Ų37.566%0.66322%0.217SC*.THydrogen-bonded Turntrans-77.1-53.4177.2-179.760.4000110.4I223 G224I223-D226 HydrophobicContact CG1-CB 4.3Å; I223-D226 WeakPolarHBondContact O-CB 3.31Å; I223-D226 PolarHBondContact O-N 3.45Å; G224-D226 VanDerWaalsContact C-N 3.29Å; G224-D226 PolarHBondContact O-N 3.45Å
227H97.8Very high96.7Very high78 Ų7839.7 Ų39.736%0.36123%0.233SC..  trans-146.5140.3174.9-167.4-86.1000111.5I223 G224 K229 F230I223-H227 PolarHBondContact O-N 3.21Å; G224-H227 WeakPolarHBondContact CA-O 3.37Å; G224-H227 CarbonylContact O-C 3.43Å; H227-K229 HydrophobicContact CB-CG 4.23Å; H227-K229 VanDerWaalsContact ND1-CB 3.34Å; H227-K229 WeakPolarHBondContact ND1-CB 3.41Å; H227-K229 WeakPolarHBondContact ND1-CD 3.32Å; H227-K229 WeakPolarHBondContact ND1-CG 3.48Å; H227-K229 PolarHBondContact ND1-N 2.91Å; H227-K229 VanDerWaalsContact ND1-N 3.14Å; H227-K229 PolarHBondContact O-N 2.8Å; H227-F230 HydrophobicContact CB-CD2 3.99Å; H227-F230 HydrophobicContact CB-CE2 4.17Å; H227-F230 PolarHBondContact O-N 2.79Å
228A97.3Very high96.8Very high77 Ų7743 Ų4364%0.63625%0.245SC*.G310 helixtrans-60-22.1-176.100000114.2F230 S231A228-F230 PolarHBondContact O-N 2.76Å; A228-S231 VanDerWaalsContact O-CB 3.32Å; A228-S231 WeakPolarHBondContact O-CB 3.36Å; A228-S231 PolarHBondContact O-N 2.81Å
229K97.3Very high96.9Very high35 Ų3546.7 Ų46.715%0.15226%0.259CS..G310 helixtrans-59.5-23.8174.976.6-171.4170.5179.40113.6A89 I90 E91 G112 L113 H227 S231A89-K229 HydrophobicContact CB-CD 4.27Å; A89-K229 HydrophobicContact CB-CG 3.97Å; I90-K229 PolarHBondContact O-NZ 3.36Å; E91-K229 IonicContact OE1-NZ 3.19Å; E91-K229 PolarHBondContact OE1-NZ 2.91Å; E91-K229 WeakPolarHBondContact OE2-CE 3.24Å; E91-K229 IonicContact OE2-NZ 3.65Å; E91-K229 PolarHBondContact OE2-NZ 3.05Å; G112-K229 WeakPolarHBondContact O-CB 3.43Å; G112-K229 WeakPolarHBondContact O-CD 3.48Å; L113-K229 HydrophobicContact CD2-CB 3.92Å; H227-K229 HydrophobicContact CB-CG 4.23Å; H227-K229 VanDerWaalsContact ND1-CB 3.34Å; H227-K229 WeakPolarHBondContact ND1-CB 3.41Å; H227-K229 WeakPolarHBondContact ND1-CD 3.32Å; H227-K229 WeakPolarHBondContact ND1-CG 3.48Å; H227-K229 PolarHBondContact ND1-N 2.91Å; H227-K229 VanDerWaalsContact ND1-N 3.14Å; H227-K229 PolarHBondContact O-N 2.8Å; K229-S231 VanDerWaalsContact C-N 3.35Å
230F97.8Very high97Very high2 Ų248.5 Ų48.51%0.00927%0.268CS..G310 helixtrans-87.7-0.6177.9-63.8-70.2000113.3T87 A89 E91 V220 I223 H227 A228 P232T87-F230 WeakPolarHBondContact CG2-O 3.31Å; T87-F230 WeakPolarHBondContact OG1-CA 3.49Å; T87-F230 PolarHBondContact OG1-O 3.17Å; A89-F230 HydrophobicContact CB-CD1 3.62Å; A89-F230 HydrophobicContact CB-CE1 3.53Å; A89-F230 HydrophobicContact CB-CG 4.49Å; A89-F230 HydrophobicContact CB-CZ 4.33Å; E91-F230 WeakPolarHBondContact OE2-CZ 3.47Å; V220-F230 HydrophobicContact CG2-CZ 4.45Å; I223-F230 VanDerWaalsContact C-CB 3.44Å; H227-F230 HydrophobicContact CB-CD2 3.99Å; H227-F230 HydrophobicContact CB-CE2 4.17Å; H227-F230 PolarHBondContact O-N 2.79Å; A228-F230 PolarHBondContact O-N 2.76Å; F230-P232 VanDerWaalsContact O-CD 3.31Å; F230-P232 WeakPolarHBondContact O-CD 3.45Å
231S97.8Very high97.1Very high23 Ų2349.1 Ų49.116%0.16127%0.271CS..  trans-65.8120175.6178.60000110.2A228 K229 V233A228-S231 VanDerWaalsContact O-CB 3.32Å; A228-S231 WeakPolarHBondContact O-CB 3.36Å; A228-S231 PolarHBondContact O-N 2.81Å; K229-S231 VanDerWaalsContact C-N 3.35Å; S231-V233 PolarHBondContact O-N 3.07Å; S231-V233 PolarHBondContact OG-O 2.92Å
232P96.9Very high97.2Very high0 Ų047.7 Ų47.70%027%0.265CS..SBendtrans-74.4-13.8177.426.6-30.8000113.5V85 T87 F230 T318 L326V85-P232 HydrophobicContact CB-CG 3.86Å; V85-P232 HydrophobicContact CG1-CG 3.87Å; T87-P232 HydrophobicContact CG2-CB 3.49Å; T87-P232 VanDerWaalsContact CG2-CB 3.49Å; T87-P232 HydrophobicContact CG2-CG 4.11Å; F230-P232 VanDerWaalsContact O-CD 3.31Å; F230-P232 WeakPolarHBondContact O-CD 3.45Å; P232-T318 PolarHBondContact O-N 2.85Å; P232-T318 PolarHBondContact O-OG1 2.67Å; P232-T318 VanDerWaalsContact O-OG1 3.1Å; P232-L326 HydrophobicContact CB-CD1 4.09Å; P232-L326 HydrophobicContact CB-CD2 3.55Å; P232-L326 HydrophobicContact CG-CD2 3.98Å
233V97.5Very high97.1Very high5 Ų550.1 Ų50.13%0.0327%0.274CS..EExtended strand (participates in β ladder)trans-108.5139.3-177.1-63.40000110.3L82 S231 A236 V315 E316 L326L82-V233 HydrophobicContact CD2-CG2 3.66Å; L82-V233 HydrophobicContact CG-CG2 4.38Å; S231-V233 PolarHBondContact O-N 3.07Å; S231-V233 PolarHBondContact OG-O 2.92Å; V233-A236 HydrophobicContact CB-CB 4.39Å; V233-A236 HydrophobicContact CG1-CB 4.4Å; V233-A236 HydrophobicContact CG2-CB 4.02Å; V233-V315 HydrophobicContact CG1-CG1 3.87Å; V233-E316 CarbonylContact C-O 3.56Å; V233-E316 WeakPolarHBondContact CA-O 3.24Å; V233-E316 WeakPolarHBondContact CB-O 3.44Å; V233-L326 HydrophobicContact CG1-CD1 3.85Å
234A95.3Very high97.1Very high69 Ų6948 Ų4857%0.5726%0.263SS*.EExtended strand (participates in β ladder)trans-66.2-51164.900000108.8E316 T318A234-E316 HydrophobicContact CB-CB 4.18Å; A234-E316 PolarHBondContact N-O 2.87Å; A234-T318 HydrophobicContact CB-CG2 4.43Å
235T95.7Very high97Very high60 Ų6050.3 Ų50.337%0.36827%0.274SS..EExtended strand (participates in β ladder)trans-150144167-170.30000110.8E316T235-E316 HydrophobicContact CG2-CB 4.37Å; T235-E316 HydrophobicContact CG2-CG 4.35Å; T235-E316 PolarHBondContact O-N 3.05Å
236A97.6Very high96.8Very high3 Ų345 Ų453%0.02525%0.253CS..EExtended strand (participates in β ladder)trans-127.3119168.600000108R78 L81 L82 V233R78-A236 VanDerWaalsContact CG-O 3.29Å; R78-A236 WeakPolarHBondContact CG-O 3.5Å; L81-A236 HydrophobicContact CB-CB 4.01Å; L81-A236 HydrophobicContact CD1-CB 4.1Å; L82-A236 HydrophobicContact CD2-CB 4.44Å; L82-A236 HydrophobicContact CG-CB 4.42Å; V233-A236 HydrophobicContact CB-CB 4.39Å; V233-A236 HydrophobicContact CG1-CB 4.4Å; V233-A236 HydrophobicContact CG2-CB 4.02Å
237S98.1Very high96.7Very high53 Ų5344 Ų4437%0.37125%0.247SC..EExtended strand (participates in β ladder)trans-145.1166.5-178.173.30000111T314S237-T314 PolarHBondContact N-O 3.42Å; S237-T314 PolarHBondContact O-N 3.1Å
238Y98Very high96.4Very high68 Ų6845.9 Ų45.927%0.26726%0.256SS..EExtended strand (participates in β ladder)trans-139.7158.317163-100.5000110.1N75 R78 F311 I312 F313N75-Y238 HydrophobicContact CB-CE1 4.23Å; R78-Y238 HydrophobicContact CB-CD1 4.18Å; R78-Y238 HydrophobicContact CB-CE1 4.15Å; R78-Y238 HydrophobicContact CG-CD1 4.35Å; R78-Y238 HydrophobicContact CG-CE1 4.48Å; Y238-F311 AromaticContact CD2-CD1 3.5Å; Y238-F311 HydrophobicContact CD2-CD1 3.5Å; Y238-F311 VanDerWaalsContact CD2-CD1 3.5Å; Y238-F311 HydrophobicContact CD2-CE1 4Å; Y238-F311 AromaticContact CE2-CD1 3.78Å; Y238-F311 HydrophobicContact CE2-CD1 3.78Å; Y238-F311 AromaticContact CE2-CE1 3.77Å; Y238-F311 HydrophobicContact CE2-CE1 3.77Å; Y238-F311 HydrophobicContact CG-CD1 4.13Å; Y238-I312 CarbonylContact C-O 3.53Å; Y238-I312 WeakPolarHBondContact CA-O 3.48Å; Y238-I312 WeakPolarHBondContact CB-O 3.18Å; Y238-F313 AromaticContact CD1-CE1 3.85Å; Y238-F313 HydrophobicContact CD1-CE1 3.85Å; Y238-F313 HydrophobicContact CD1-CE2 4.21Å; Y238-F313 AromaticContact CD1-CZ 3.61Å; Y238-F313 HydrophobicContact CD1-CZ 3.61Å; Y238-F313 HydrophobicContact CE1-CZ 4.45Å; Y238-F313 HydrophobicContact CG-CE1 4.38Å; Y238-F313 HydrophobicContact CG-CE2 4.14Å; Y238-F313 HydrophobicContact CG-CZ 4.01Å
239R97.4Very high96.1Very high98 Ų9847.3 Ų47.337%0.3726%0.259SS..EExtended strand (participates in β ladder)trans-134.8149.5167.167.1-176.5-170.4-121.55.1109.6R284 I312R239-R284 PolarHBondContact NH2-O 2.87Å; R239-I312 HydrophobicContact CG-CB 4.1Å; R239-I312 HydrophobicContact CG-CD1 4.37Å; R239-I312 PolarHBondContact N-O 3.01Å; R239-I312 PolarHBondContact O-N 3.36Å
240L97.8Very high95.9Very high38 Ų3845.8 Ų45.820%0.19925%0.253CS..EExtended strand (participates in β ladder)trans-68.8146.7171.6-63.9174000110.1V15 P242 R306 R308 H310 F311V15-L240 HydrophobicContact CG2-CD1 3.98Å; L240-P242 WeakPolarHBondContact O-CD 3.31Å; L240-R306 HydrophobicContact CB-CB 3.77Å; L240-R306 HydrophobicContact CB-CG 4.26Å; L240-R306 HydrophobicContact CD1-CB 4.07Å; L240-R306 VanDerWaalsContact O-CD 3.25Å; L240-R306 WeakPolarHBondContact O-CD 3.26Å; L240-R306 PolarHBondContact O-NH1 2.74Å; L240-R308 VanDerWaalsContact CD2-O 3.25Å; L240-R308 WeakPolarHBondContact CD2-O 3.37Å; L240-H310 CarbonylContact C-O 3.49Å; L240-H310 WeakPolarHBondContact CA-O 3.39Å; L240-F311 HydrophobicContact CD2-CD1 3.74Å; L240-F311 HydrophobicContact CD2-CE1 3.44Å; L240-F311 VanDerWaalsContact CD2-CE1 3.44Å; L240-F311 HydrophobicContact CD2-CE2 4.26Å; L240-F311 HydrophobicContact CD2-CG 4.29Å; L240-F311 HydrophobicContact CD2-CZ 3.72Å
241L97.5Very high95.7Very high35 Ų3549.6 Ų49.618%0.18327%0.27CS..EExtended strand (participates in β ladder)trans-60.9122.5174.917870000110.1R284 R306 V307 H310 I312L241-R284 HydrophobicContact CD1-CB 4.07Å; L241-R284 HydrophobicContact CD1-CG 4.25Å; L241-R306 VanDerWaalsContact O-CA 3.29Å; L241-R306 WeakPolarHBondContact O-CA 3.32Å; L241-V307 HydrophobicContact CB-CB 4.47Å; L241-V307 HydrophobicContact CD2-CG2 4.46Å; L241-V307 PolarHBondContact O-N 3.02Å; L241-H310 HydrophobicContact CB-CB 4.03Å; L241-H310 WeakPolarHBondContact CD2-ND1 3.35Å; L241-H310 PolarHBondContact N-O 3.16Å; L241-I312 HydrophobicContact CB-CD1 4.35Å; L241-I312 HydrophobicContact CD1-CD1 3.85Å
242P97.3Very high95.4Very high2 Ų250 Ų501%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-61.2139.3170.6-1728.9000111.6L240 S283 D286L240-P242 WeakPolarHBondContact O-CD 3.31Å; P242-S283 WeakPolarHBondContact CB-O 3.2Å; P242-S283 VanDerWaalsContact CG-O 3.29Å; P242-S283 WeakPolarHBondContact CG-O 3.46Å; P242-S283 WeakPolarHBondContact O-CB 3.33Å; P242-D286 HydrophobicContact CB-CB 4.43Å; P242-D286 HydrophobicContact CG-CB 4.46Å
243E95.8Very high95.1Very high59 Ų5958.4 Ų58.428%0.27632%0.318SS..EExtended strand (participates in β ladder)trans-124.4119.1169.8-168.8-175-123.500107.9R14 G305 V307R14-E243 WeakPolarHBondContact CD-OE2 3.47Å; R14-E243 IonicContact CZ-OE1 2.71Å; R14-E243 IonicContact CZ-OE2 3.9Å; R14-E243 VanDerWaalsContact NE-CD 3.26Å; R14-E243 IonicContact NE-OE1 3.21Å; R14-E243 PolarHBondContact NE-OE1 2.92Å; R14-E243 IonicContact NE-OE2 3.9Å; R14-E243 PolarHBondContact NE-OE2 3.36Å; R14-E243 IonicContact NH2-OE1 3.83Å; R14-E243 PolarHBondContact NH2-OE1 3.16Å; R14-E243 IonicContact NH2-OE2 2.68Å; E243-G305 PolarHBondContact N-O 2.92Å; E243-G305 CarbonylContact O-C 3.55Å; E243-G305 WeakPolarHBondContact O-CA 3.45Å; E243-G305 PolarHBondContact O-N 2.98Å; E243-G305 VanDerWaalsContact O-O 3.13Å; E243-V307 HydrophobicContact CB-CG2 4.12Å
244I95.9Very high94.9Very high10 Ų1062.9 Ų62.95%0.05134%0.337CS..EExtended strand (participates in β ladder)trans-114120.1178.8-59.9162.6000106.4F262 V266 V280 D286 V302 L304I244-F262 HydrophobicContact CD1-CD1 3.82Å; I244-F262 HydrophobicContact CD1-CE1 3.69Å; I244-F262 HydrophobicContact CG1-CE1 4.25Å; I244-F262 HydrophobicContact CG2-CE1 4.33Å; I244-F262 HydrophobicContact CG2-CZ 4.16Å; I244-V266 HydrophobicContact CD1-CG1 3.43Å; I244-V266 VanDerWaalsContact CD1-CG1 3.43Å; I244-V280 HydrophobicContact CB-CG1 4.23Å; I244-V280 HydrophobicContact CB-CG2 4.31Å; I244-V280 HydrophobicContact CG2-CG2 4.03Å; I244-D286 HydrophobicContact CD1-CB 4.06Å; I244-V302 HydrophobicContact CG2-CG1 3.79Å; I244-L304 HydrophobicContact CG1-CD2 4.07Å; I244-L304 HydrophobicContact CG2-CD2 4.33Å
245T94.6Very high94.8Very high61 Ų6159.6 Ų59.637%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-118.2125.4179.8-560000109.3K303T245-K303 PolarHBondContact N-O 3.4Å; T245-K303 PolarHBondContact O-N 3.12Å
246L94.3Very high94.7Very high45 Ų4559.3 Ų59.324%0.23630%0.304CS..EExtended strand (participates in β ladder)trans-82.3120.1171-55.8-179.4000108.2L258 A278 V280 C301 V302L246-L258 HydrophobicContact CD2-CD2 3.82Å; L246-A278 HydrophobicContact CD1-CB 4.4Å; L246-A278 VanDerWaalsContact CD1-O 3.31Å; L246-A278 WeakPolarHBondContact CD1-O 3.45Å; L246-V280 HydrophobicContact CD1-CG2 4.35Å; L246-V280 HydrophobicContact CD2-CG2 4.45Å; L246-V280 HydrophobicContact CG-CG2 4.04Å; L246-C301 WeakPolarHBondContact CA-O 3.46Å; L246-V302 HydrophobicContact CD2-CG2 3.72Å
247L93Very high94.5Very high104 Ų10463 Ų6355%0.54532%0.318SS..SBendtrans-78.4-28.7179.8-62177.5000111.6N300 C301 K303L247-N300 WeakPolarHBondContact CD1-O 3.48Å; L247-C301 PolarHBondContact N-O 3.34Å; L247-K303 HydrophobicContact CD1-CB 4.42Å; L247-K303 HydrophobicContact CD2-CB 4.19Å; L247-K303 HydrophobicContact CD2-CD 4.43Å; L247-K303 HydrophobicContact CG-CB 4.3Å
248E92Very high94.3Very high116 Ų11660.5 Ų60.554%0.54230%0.3SS..SBendtrans-137.4152.4-179.7-62.5178.8172.200109.8V250E248-V250 PolarHBondContact O-N 3.04Å
249P91.8Very high94.1Very high107 Ų10760.8 Ų60.870%0.69530%0.303SS*.  trans-61.5121.2172.4-20.632.6000111.1
250V92.4Very high94Very high4 Ų465.9 Ų65.92%0.02432%0.322CS..  trans-102.6114.4177.2-173.60000108.8E248 K254 A255 L258 A278 L298 C301E248-V250 PolarHBondContact O-N 3.04Å; V250-K254 HydrophobicContact CG1-CB 3.65Å; V250-A255 HydrophobicContact CG1-CB 4.34Å; V250-A255 WeakPolarHBondContact O-CB 3.31Å; V250-L258 HydrophobicContact CB-CD2 4.31Å; V250-L258 HydrophobicContact CG1-CD2 4.36Å; V250-L258 HydrophobicContact CG2-CD2 4.3Å; V250-A278 HydrophobicContact CB-CB 4.32Å; V250-A278 PolarHBondContact O-N 3.05Å; V250-L298 HydrophobicContact CG1-CD2 4.28Å; V250-C301 HydrophobicContact CG2-CB 3.88Å
251E93.4Very high93.8Very high81 Ų8164.4 Ų64.438%0.37931%0.314SS..BIsolated β-bridgetrans-117.7160.9-174.8-51.4-171.3172.700113.1K254 R275 K276 V277E251-K254 PolarHBondContact O-N 2.8Å; E251-R275 WeakPolarHBondContact OE2-CD 3.49Å; E251-R275 IonicContact OE2-NH1 3.34Å; E251-R275 PolarHBondContact OE2-NH1 3.49Å; E251-K276 CarbonylContact C-O 3.45Å; E251-K276 VanDerWaalsContact CA-O 3.25Å; E251-K276 WeakPolarHBondContact CA-O 3.44Å; E251-V277 HydrophobicContact CG-CG2 4.09Å
252G91.6Very high93.8Very high33 Ų3363.6 Ų63.634%0.3431%0.31SS..THydrogen-bonded Turntrans65.9-137169.100000113.9K254 A255 E256 K276G252-K254 PolarHBondContact O-N 3.4Å; G252-A255 WeakPolarHBondContact O-CB 3.45Å; G252-A255 PolarHBondContact O-N 3.26Å; G252-A255 VanDerWaalsContact O-N 3.11Å; G252-E256 PolarHBondContact O-N 3.46Å; G252-K276 PolarHBondContact N-O 2.84Å
253E91.1Very high93.7Very high176 Ų17664.8 Ų64.882%0.82232%0.318SS*.Hα-helixtrans-63.2-30-179.7-65.1-172.1167.100112.8A255 E256 R257E253-A255 VanDerWaalsContact C-N 3.28Å; E253-A255 PolarHBondContact O-N 2.93Å; E253-E256 PolarHBondContact O-N 3.14Å; E253-R257 PolarHBondContact O-N 2.7Å
254K92.9Very high93.6Very high99 Ų9973.6 Ų73.643%0.4335%0.349SS..Hα-helixtrans-63.5-38.1174.9-69.7-172.5174.9-173.20111.2V250 E251 G252 R257 L258 L298V250-K254 HydrophobicContact CG1-CB 3.65Å; E251-K254 PolarHBondContact O-N 2.8Å; G252-K254 PolarHBondContact O-N 3.4Å; K254-R257 PolarHBondContact O-N 3.25Å; K254-L258 WeakPolarHBondContact O-CB 3.43Å; K254-L258 PolarHBondContact O-N 3.3Å; K254-L298 HydrophobicContact CB-CD2 4.25Å
255A93.4Very high93.5Very high0 Ų075.1 Ų75.10%037%0.367CS..Hα-helixtrans-66.9-42.9178.800000111.5V250 G252 E253 R257 L258 K259 L269 A278V250-A255 HydrophobicContact CG1-CB 4.34Å; V250-A255 WeakPolarHBondContact O-CB 3.31Å; G252-A255 WeakPolarHBondContact O-CB 3.45Å; G252-A255 PolarHBondContact O-N 3.26Å; G252-A255 VanDerWaalsContact O-N 3.11Å; E253-A255 VanDerWaalsContact C-N 3.28Å; E253-A255 PolarHBondContact O-N 2.93Å; A255-R257 VanDerWaalsContact C-N 3.34Å; A255-R257 PolarHBondContact O-N 3.06Å; A255-L258 WeakPolarHBondContact O-CB 3.29Å; A255-L258 PolarHBondContact O-N 3.35Å; A255-K259 PolarHBondContact O-N 3.17Å; A255-L269 HydrophobicContact CB-CD2 3.55Å; A255-A278 HydrophobicContact CB-CB 3.92Å
256E92.9Very high93.5Very high53 Ų5372.2 Ų72.225%0.24835%0.349CS..Hα-helixtrans-61.6-42174.1-73-75.1-17400111.9G252 E253 K259 R260 L269 K276G252-E256 PolarHBondContact O-N 3.46Å; E253-E256 PolarHBondContact O-N 3.14Å; E256-K259 PolarHBondContact O-N 2.99Å; E256-R260 WeakPolarHBondContact O-CG 3.48Å; E256-R260 PolarHBondContact O-N 3.04Å; E256-L269 HydrophobicContact CG-CD1 3.84Å; E256-L269 WeakPolarHBondContact OE1-CD1 3.47Å; E256-L269 VanDerWaalsContact OE2-CD1 3.31Å; E256-L269 WeakPolarHBondContact OE2-CD1 3.24Å; E256-K276 HydrophobicContact CG-CD 4.44Å; E256-K276 WeakPolarHBondContact OE1-CD 3.37Å; E256-K276 IonicContact OE1-NZ 2.71Å; E256-K276 PolarHBondContact OE1-NZ 3.45Å
257R92.6Very high93.5Very high82 Ų8270.2 Ų70.231%0.30934%0.339SS..Hα-helixtrans-65.6-43.1175.2-166.2168.378.2-131.7-93.8111.5E253 K254 A255 K259 R260 C261 D297 L298E253-R257 PolarHBondContact O-N 2.7Å; K254-R257 PolarHBondContact O-N 3.25Å; A255-R257 VanDerWaalsContact C-N 3.34Å; A255-R257 PolarHBondContact O-N 3.06Å; R257-K259 VanDerWaalsContact C-N 3.32Å; R257-K259 PolarHBondContact O-N 3.33Å; R257-R260 PolarHBondContact O-N 3Å; R257-R260 VanDerWaalsContact O-N 3.11Å; R257-C261 PolarHBondContact O-N 2.94Å; R257-C261 PolarHBondContact O-SG 3.25Å; R257-D297 VanDerWaalsContact CZ-CG 3.49Å; R257-D297 IonicContact CZ-OD1 2.74Å; R257-D297 VanDerWaalsContact CZ-OD1 3.22Å; R257-D297 IonicContact CZ-OD2 2.71Å; R257-D297 IonicContact NE-OD1 2.64Å; R257-D297 IonicContact NH1-OD1 3.38Å; R257-D297 PolarHBondContact NH1-OD1 3.46Å; R257-D297 IonicContact NH1-OD2 2.78Å; R257-D297 PolarHBondContact NH1-OD2 3.14Å; R257-D297 IonicContact NH2-OD1 2.98Å; R257-D297 IonicContact NH2-OD2 2.75Å; R257-D297 PolarHBondContact NH2-OD2 3.02Å; R257-L298 HydrophobicContact CB-CD1 4.38Å; R257-L298 HydrophobicContact CG-CD1 4.18Å
258L94.3Very high93.6Very high0 Ų068.7 Ų68.70%033%0.331CS..Hα-helixtrans-56.7-46.9176.7-171.774.1000111.2L246 V250 K254 A255 R260 C261 F262 A278 V292 L298 V302L246-L258 HydrophobicContact CD2-CD2 3.82Å; V250-L258 HydrophobicContact CB-CD2 4.31Å; V250-L258 HydrophobicContact CG1-CD2 4.36Å; V250-L258 HydrophobicContact CG2-CD2 4.3Å; K254-L258 WeakPolarHBondContact O-CB 3.43Å; K254-L258 PolarHBondContact O-N 3.3Å; A255-L258 WeakPolarHBondContact O-CB 3.29Å; A255-L258 PolarHBondContact O-N 3.35Å; L258-R260 PolarHBondContact O-N 3.22Å; L258-C261 WeakPolarHBondContact O-CB 3.47Å; L258-C261 PolarHBondContact O-N 3.12Å; L258-F262 HydrophobicContact CD1-CE2 3.89Å; L258-F262 HydrophobicContact CG-CD2 4.49Å; L258-F262 HydrophobicContact CG-CE2 4.11Å; L258-F262 VanDerWaalsContact O-CD2 3.29Å; L258-F262 WeakPolarHBondContact O-CD2 3.44Å; L258-A278 HydrophobicContact CD2-CB 3.78Å; L258-V292 HydrophobicContact CD1-CG2 3.65Å; L258-L298 HydrophobicContact CB-CD1 4.42Å; L258-L298 HydrophobicContact CB-CD2 4.4Å; L258-L298 HydrophobicContact CD1-CB 4.43Å; L258-L298 HydrophobicContact CD1-CD1 4.18Å; L258-L298 HydrophobicContact CD1-CD2 4.21Å; L258-V302 HydrophobicContact CD1-CG2 3.67Å; L258-V302 HydrophobicContact CD2-CG2 4.45Å
259K94.6Very high93.7Very high74 Ų7464.7 Ų64.732%0.32231%0.314SS..Hα-helixtrans-57.1-35.9177.6-178.9167.1-179.9173.80112.9A255 E256 R257 C261 F262 I267 D268 L269A255-K259 PolarHBondContact O-N 3.17Å; E256-K259 PolarHBondContact O-N 2.99Å; R257-K259 VanDerWaalsContact C-N 3.32Å; R257-K259 PolarHBondContact O-N 3.33Å; K259-C261 VanDerWaalsContact C-N 3.32Å; K259-F262 PolarHBondContact O-N 2.84Å; K259-I267 HydrophobicContact CB-CB 4.45Å; K259-I267 HydrophobicContact CB-CG2 4.23Å; K259-I267 WeakPolarHBondContact CE-O 3.32Å; K259-D268 IonicContact NZ-OD1 3.76Å; K259-D268 PolarHBondContact NZ-OD1 3.42Å; K259-L269 HydrophobicContact CD-CD1 4.11Å; K259-L269 HydrophobicContact CD-CG 3.95Å
260R94.6Very high93.7Very high205 Ų20563.8 Ų63.877%0.77430%0.3SS*.Hα-helixtrans-73.1-21.4177.5-65.3177.7-165.9-179.33.9113.8E256 R257 L258 F262E256-R260 WeakPolarHBondContact O-CG 3.48Å; E256-R260 PolarHBondContact O-N 3.04Å; R257-R260 PolarHBondContact O-N 3Å; R257-R260 VanDerWaalsContact O-N 3.11Å; L258-R260 PolarHBondContact O-N 3.22Å; R260-F262 VanDerWaalsContact C-N 3.27Å; R260-F262 PolarHBondContact O-N 2.99Å
261C94.9Very high93.6Very high6 Ų669.1 Ų69.14%0.04133%0.328CS..Hα-helixtrans-75-16.4177.3-61.10000113.1R257 L258 K259 S289 E291 V292 H295R257-C261 PolarHBondContact O-N 2.94Å; R257-C261 PolarHBondContact O-SG 3.25Å; L258-C261 WeakPolarHBondContact O-CB 3.47Å; L258-C261 PolarHBondContact O-N 3.12Å; K259-C261 VanDerWaalsContact C-N 3.32Å; C261-S289 PolarHBondContact O-OG 3.25Å; C261-E291 HydrophobicContact CB-CB 4.25Å; C261-E291 HydrophobicContact CB-CG 4.37Å; C261-V292 HydrophobicContact CB-CB 4.1Å; C261-H295 PolarHBondContact SG-CD2 3.15Å
262F95.6Very high93.3Very high19 Ų1968.7 Ų68.78%0.08333%0.331CS..SBendtrans-112.3166.7-176.8-68.5-80.5000112.6I244 L258 K259 R260 V266 I267 V292 V302 L304I244-F262 HydrophobicContact CD1-CD1 3.82Å; I244-F262 HydrophobicContact CD1-CE1 3.69Å; I244-F262 HydrophobicContact CG1-CE1 4.25Å; I244-F262 HydrophobicContact CG2-CE1 4.33Å; I244-F262 HydrophobicContact CG2-CZ 4.16Å; L258-F262 HydrophobicContact CD1-CE2 3.89Å; L258-F262 HydrophobicContact CG-CD2 4.49Å; L258-F262 HydrophobicContact CG-CE2 4.11Å; L258-F262 VanDerWaalsContact O-CD2 3.29Å; L258-F262 WeakPolarHBondContact O-CD2 3.44Å; K259-F262 PolarHBondContact O-N 2.84Å; R260-F262 VanDerWaalsContact C-N 3.27Å; R260-F262 PolarHBondContact O-N 2.99Å; F262-V266 HydrophobicContact CB-CB 4.07Å; F262-V266 HydrophobicContact CB-CG1 4.14Å; F262-V266 HydrophobicContact CD1-CG1 4.31Å; F262-V266 HydrophobicContact CG-CG1 4.35Å; F262-I267 HydrophobicContact CB-CG1 4.08Å; F262-I267 HydrophobicContact CD2-CD1 4.31Å; F262-I267 HydrophobicContact CD2-CG1 3.52Å; F262-I267 HydrophobicContact CE2-CG1 4.18Å; F262-I267 HydrophobicContact CG-CG1 3.91Å; F262-V292 HydrophobicContact CE2-CB 4.19Å; F262-V292 HydrophobicContact CE2-CG2 4.33Å; F262-V292 HydrophobicContact CZ-CB 4.04Å; F262-V292 HydrophobicContact CZ-CG1 3.93Å; F262-V292 HydrophobicContact CZ-CG2 4.41Å; F262-V302 HydrophobicContact CZ-CG1 4.19Å; F262-L304 HydrophobicContact CE1-CD2 3.73Å; F262-L304 HydrophobicContact CZ-CD2 3.92Å
263S95.5Very high92.9Very high27 Ų2779 Ų7919%0.18936%0.36CS..  trans-62.1149.6174.3-47.40000110.5G265 V266 L285 D286 T287S263-G265 PolarHBondContact O-N 2.99Å; S263-V266 WeakPolarHBondContact O-CB 3.3Å; S263-V266 VanDerWaalsContact O-CG2 3.3Å; S263-V266 WeakPolarHBondContact O-CG2 3.33Å; S263-V266 PolarHBondContact O-N 3.04Å; S263-V266 VanDerWaalsContact O-N 3.16Å; S263-L285 WeakPolarHBondContact CB-O 3.26Å; S263-D286 PolarHBondContact OG-OD1 3.43Å; S263-D286 VanDerWaalsContact OG-OD1 3.12Å; S263-T287 PolarHBondContact OG-N 3.31Å; S263-T287 PolarHBondContact OG-OG1 3.1Å
264R94.3Very high92.4Very high243 Ų24373.7 Ų73.792%0.91735%0.352SS*.THydrogen-bonded Turntrans-58.9133.2-179.6-65.5-177.9-178.9-175.80.6110.1V266R264-V266 VanDerWaalsContact C-N 3.35Å
265G93.2Very high92.1Very high43 Ų4376.4 Ų76.444%0.44336%0.36SS..THydrogen-bonded Turntrans86.1-4.6-179.500000115.4S263S263-G265 PolarHBondContact O-N 2.99Å
266V94.7Very high92.1Very high0 Ų081.2 Ų81.20%038%0.381CS..THydrogen-bonded Turntrans-77.4-52.4177.3176.40000111.5I244 F262 S263 R264 V281 N282 L285 D286I244-V266 HydrophobicContact CD1-CG1 3.43Å; I244-V266 VanDerWaalsContact CD1-CG1 3.43Å; F262-V266 HydrophobicContact CB-CB 4.07Å; F262-V266 HydrophobicContact CB-CG1 4.14Å; F262-V266 HydrophobicContact CD1-CG1 4.31Å; F262-V266 HydrophobicContact CG-CG1 4.35Å; S263-V266 WeakPolarHBondContact O-CB 3.3Å; S263-V266 VanDerWaalsContact O-CG2 3.3Å; S263-V266 WeakPolarHBondContact O-CG2 3.33Å; S263-V266 PolarHBondContact O-N 3.04Å; S263-V266 VanDerWaalsContact O-N 3.16Å; R264-V266 VanDerWaalsContact C-N 3.35Å; V266-V281 PolarHBondContact O-N 2.99Å; V266-N282 WeakPolarHBondContact CA-O 3.41Å; V266-N282 PolarHBondContact O-N 3.42Å; V266-L285 HydrophobicContact CG2-CB 3.92Å; V266-D286 HydrophobicContact CG1-CB 4.1Å; V266-D286 HydrophobicContact CG2-CB 3.72Å
267I95.3Very high92.1Very high2 Ų280.1 Ų80.11%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-109.6134.2177-55.9-59.8000108.6K259 F262 A278 K279 V280K259-I267 HydrophobicContact CB-CB 4.45Å; K259-I267 HydrophobicContact CB-CG2 4.23Å; K259-I267 WeakPolarHBondContact CE-O 3.32Å; F262-I267 HydrophobicContact CB-CG1 4.08Å; F262-I267 HydrophobicContact CD2-CD1 4.31Å; F262-I267 HydrophobicContact CD2-CG1 3.52Å; F262-I267 HydrophobicContact CE2-CG1 4.18Å; F262-I267 HydrophobicContact CG-CG1 3.91Å; I267-A278 HydrophobicContact CG2-CB 4.01Å; I267-K279 WeakPolarHBondContact CA-O 3.15Å; I267-V280 HydrophobicContact CD1-CB 4.18Å; I267-V280 HydrophobicContact CD1-CG1 4.37Å; I267-V280 HydrophobicContact CD1-CG2 3.64Å
268D94.5Very high92.1Very high73 Ų7376.6 Ų76.639%0.3937%0.366SS..EExtended strand (participates in β ladder)trans-123.3167.4168.9-153.211.8000112.1K259 A278 K279 V281K259-D268 IonicContact NZ-OD1 3.76Å; K259-D268 PolarHBondContact NZ-OD1 3.42Å; D268-A278 WeakPolarHBondContact O-CA 3.25Å; D268-K279 PolarHBondContact N-O 3.29Å; D268-K279 PolarHBondContact O-N 3.39Å; D268-V281 HydrophobicContact CB-CG2 3.48Å; D268-V281 VanDerWaalsContact CB-CG2 3.48Å
269L93.6Very high92.2Very high32 Ų3281.2 Ų81.217%0.16839%0.386CS..EExtended strand (participates in β ladder)trans-113.6115-177.1-59.3175.6000109.3A255 E256 K259 K276 V277 A278A255-L269 HydrophobicContact CB-CD2 3.55Å; E256-L269 HydrophobicContact CG-CD1 3.84Å; E256-L269 WeakPolarHBondContact OE1-CD1 3.47Å; E256-L269 VanDerWaalsContact OE2-CD1 3.31Å; E256-L269 WeakPolarHBondContact OE2-CD1 3.24Å; K259-L269 HydrophobicContact CD-CD1 4.11Å; K259-L269 HydrophobicContact CD-CG 3.95Å; L269-K276 HydrophobicContact CD1-CD 4.36Å; L269-V277 WeakPolarHBondContact CA-O 3.28Å; L269-A278 HydrophobicContact CD2-CB 4.2Å
270E91.9Very high92.2Very high88 Ų8879.5 Ų79.541%0.41138%0.382SS..EExtended strand (participates in β ladder)trans-93.4137.5172.3-67.5-175.8167.900109.4K276 V277 K279E270-K276 WeakPolarHBondContact O-CA 3.48Å; E270-V277 PolarHBondContact N-O 3.13Å; E270-V277 PolarHBondContact O-N 2.88Å; E270-K279 HydrophobicContact CG-CD 4.3Å; E270-K279 WeakPolarHBondContact OE1-CD 3.4Å; E270-K279 WeakPolarHBondContact OE1-CE 3.32Å; E270-K279 IonicContact OE1-NZ 2.69Å; E270-K279 PolarHBondContact OE1-NZ 3.39Å; E270-K279 WeakPolarHBondContact OE2-CD 3.4Å; E270-K279 IonicContact OE2-NZ 3.57Å
271D90Very high92.2Very high116 Ų11674 Ų7462%0.6237%0.371SS*.EExtended strand (participates in β ladder)trans-88.4107.9172.9-167.5-19.6000109.6G274 R275D271-G274 VanDerWaalsContact OD1-C 3.32Å; D271-G274 WeakPolarHBondContact OD1-CA 3.35Å; D271-G274 PolarHBondContact OD1-N 3.49Å; D271-R275 PolarHBondContact OD1-N 3.08Å
272V87.2Confident92.1Very high72 Ų7276.8 Ų76.844%0.43639%0.385SS..EExtended strand (participates in β ladder)trans-111.8107.9176.4-175.80000108.3G274 R275 V277V272-G274 VanDerWaalsContact C-N 3.3Å; V272-G274 PolarHBondContact O-N 3.2Å; V272-R275 PolarHBondContact N-O 2.76Å; V272-R275 PolarHBondContact O-N 2.98Å; V272-R275 VanDerWaalsContact O-N 3.16Å; V272-V277 HydrophobicContact CB-CG2 4.16Å; V272-V277 HydrophobicContact CG2-CG2 4.22Å
273R83.1Confident92.1Very high248 Ų24876.9 Ų76.994%0.93639%0.388SS*.THydrogen-bonded Turntrans57.337.8177.8-55.5177.7178.8-177.5-0.5113.5
274G82.4Confident92.1Very high65 Ų6577.1 Ų77.167%0.6739%0.385SS*.THydrogen-bonded Turntrans82.811.8179.600000113.9D271 V272D271-G274 VanDerWaalsContact OD1-C 3.32Å; D271-G274 WeakPolarHBondContact OD1-CA 3.35Å; D271-G274 PolarHBondContact OD1-N 3.49Å; V272-G274 VanDerWaalsContact C-N 3.3Å; V272-G274 PolarHBondContact O-N 3.2Å
275R86.9Confident92.1Very high157 Ų15769.6 Ų69.659%0.59236%0.363SS*.EExtended strand (participates in β ladder)trans-120.4129.4176.5-62.5-173.5-175.1179.22.1109.8E251 D271 V272 V277E251-R275 WeakPolarHBondContact OE2-CD 3.49Å; E251-R275 IonicContact OE2-NH1 3.34Å; E251-R275 PolarHBondContact OE2-NH1 3.49Å; D271-R275 PolarHBondContact OD1-N 3.08Å; V272-R275 PolarHBondContact N-O 2.76Å; V272-R275 PolarHBondContact O-N 2.98Å; V272-R275 VanDerWaalsContact O-N 3.16Å; R275-V277 PolarHBondContact O-N 3.49Å
276K91.5Very high92.3Very high101 Ų10167.7 Ų67.744%0.43934%0.342SS..EExtended strand (participates in β ladder)trans-73.9119.2173.1-66.1-179.6173-175.90109.7E251 G252 E256 L269 E270E251-K276 CarbonylContact C-O 3.45Å; E251-K276 VanDerWaalsContact CA-O 3.25Å; E251-K276 WeakPolarHBondContact CA-O 3.44Å; G252-K276 PolarHBondContact N-O 2.84Å; E256-K276 HydrophobicContact CG-CD 4.44Å; E256-K276 WeakPolarHBondContact OE1-CD 3.37Å; E256-K276 IonicContact OE1-NZ 2.71Å; E256-K276 PolarHBondContact OE1-NZ 3.45Å; L269-K276 HydrophobicContact CD1-CD 4.36Å; E270-K276 WeakPolarHBondContact O-CA 3.48Å
277V93.9Very high92.2Very high30 Ų3072.7 Ų72.718%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-115.7131.9177.9-172.70000109.1E251 L269 E270 V272 R275E251-V277 HydrophobicContact CG-CG2 4.09Å; L269-V277 WeakPolarHBondContact CA-O 3.28Å; E270-V277 PolarHBondContact N-O 3.13Å; E270-V277 PolarHBondContact O-N 2.88Å; V272-V277 HydrophobicContact CB-CG2 4.16Å; V272-V277 HydrophobicContact CG2-CG2 4.22Å; R275-V277 PolarHBondContact O-N 3.49Å
278A93.5Very high92.1Very high7 Ų773.2 Ų73.26%0.05838%0.377CS..EExtended strand (participates in β ladder)trans-75.1136.5176.900000111.7L246 V250 A255 L258 I267 D268 L269L246-A278 HydrophobicContact CD1-CB 4.4Å; L246-A278 VanDerWaalsContact CD1-O 3.31Å; L246-A278 WeakPolarHBondContact CD1-O 3.45Å; V250-A278 HydrophobicContact CB-CB 4.32Å; V250-A278 PolarHBondContact O-N 3.05Å; A255-A278 HydrophobicContact CB-CB 3.92Å; L258-A278 HydrophobicContact CD2-CB 3.78Å; I267-A278 HydrophobicContact CG2-CB 4.01Å; D268-A278 WeakPolarHBondContact O-CA 3.25Å; L269-A278 HydrophobicContact CD2-CB 4.2Å
279K94.6Very high92.1Very high97 Ų9773.1 Ų73.142%0.42238%0.382SS..EExtended strand (participates in β ladder)trans-134.8140.9174.1-177.2178.6175.3179.50110.5I267 D268 E270 V281I267-K279 WeakPolarHBondContact CA-O 3.15Å; D268-K279 PolarHBondContact N-O 3.29Å; D268-K279 PolarHBondContact O-N 3.39Å; E270-K279 HydrophobicContact CG-CD 4.3Å; E270-K279 WeakPolarHBondContact OE1-CD 3.4Å; E270-K279 WeakPolarHBondContact OE1-CE 3.32Å; E270-K279 IonicContact OE1-NZ 2.69Å; E270-K279 PolarHBondContact OE1-NZ 3.39Å; E270-K279 WeakPolarHBondContact OE2-CD 3.4Å; E270-K279 IonicContact OE2-NZ 3.57Å; K279-V281 PolarHBondContact O-N 3.25Å
280V94.8Very high92.2Very high38 Ų3875.7 Ų75.723%0.2339%0.389CS..EExtended strand (participates in β ladder)trans-78.3117.6172.5-172.70000108I244 L246 I267 S283I244-V280 HydrophobicContact CB-CG1 4.23Å; I244-V280 HydrophobicContact CB-CG2 4.31Å; I244-V280 HydrophobicContact CG2-CG2 4.03Å; L246-V280 HydrophobicContact CD1-CG2 4.35Å; L246-V280 HydrophobicContact CD2-CG2 4.45Å; L246-V280 HydrophobicContact CG-CG2 4.04Å; I267-V280 HydrophobicContact CD1-CB 4.18Å; I267-V280 HydrophobicContact CD1-CG1 4.37Å; I267-V280 HydrophobicContact CD1-CG2 3.64Å; V280-S283 VanDerWaalsContact CG1-OG 3.27Å; V280-S283 WeakPolarHBondContact CG1-OG 3.06Å
281V94.2Very high92.3Very high91 Ų9174.4 Ų74.455%0.55238%0.383SS*.  trans-99.5-52-178.2177.60000110.6V266 D268 K279V266-V281 PolarHBondContact O-N 2.99Å; D268-V281 HydrophobicContact CB-CG2 3.48Å; D268-V281 VanDerWaalsContact CB-CG2 3.48Å; K279-V281 PolarHBondContact O-N 3.25Å
282N94.4Very high92.5Very high63 Ų6368.9 Ų68.934%0.33735%0.354SS..  trans-145.294.2-177.9-169.2-8.9000112.3V266 R284 L285V266-N282 WeakPolarHBondContact CA-O 3.41Å; V266-N282 PolarHBondContact O-N 3.42Å; N282-R284 PolarHBondContact O-N 3.2Å; N282-R284 WeakPolarHBondContact OD1-CB 3.31Å; N282-R284 PolarHBondContact OD1-N 3.35Å; N282-L285 HydrophobicContact CB-CD1 4.24Å; N282-L285 HydrophobicContact CB-CG 4.44Å
283S94.8Very high92.8Very high22 Ų2266.2 Ų66.215%0.15434%0.337CS..G310 helixtrans-64.5-22.3177.6-50.60000113.4P242 V280 L285 D286P242-S283 WeakPolarHBondContact CB-O 3.2Å; P242-S283 VanDerWaalsContact CG-O 3.29Å; P242-S283 WeakPolarHBondContact CG-O 3.46Å; P242-S283 WeakPolarHBondContact O-CB 3.33Å; V280-S283 VanDerWaalsContact CG1-OG 3.27Å; V280-S283 WeakPolarHBondContact CG1-OG 3.06Å; S283-L285 PolarHBondContact O-N 2.95Å; S283-D286 WeakPolarHBondContact O-CB 3.45Å; S283-D286 PolarHBondContact O-N 2.79Å; S283-D286 VanDerWaalsContact O-N 3.08Å
284R95.6Very high93.3Very high31 Ų3162.8 Ų62.812%0.11732%0.324CS..G310 helixtrans-58.5-35.8-178.5-169.3-166.7-174.477.60.5112.9E63 D65 R239 L241 N282 D286 I312E63-R284 IonicContact OE1-CZ 4Å; E63-R284 VanDerWaalsContact OE1-CZ 3.23Å; E63-R284 IonicContact OE1-NE 3.96Å; E63-R284 PolarHBondContact OE1-NE 3.32Å; E63-R284 IonicContact OE1-NH2 2.74Å; E63-R284 PolarHBondContact OE1-NH2 3.38Å; D65-R284 IonicContact OD1-CZ 3.59Å; D65-R284 IonicContact OD1-NH1 3.67Å; D65-R284 PolarHBondContact OD1-NH1 3Å; D65-R284 IonicContact OD1-NH2 3.85Å; D65-R284 PolarHBondContact OD1-NH2 2.88Å; D65-R284 IonicContact OD2-CZ 3.1Å; D65-R284 IonicContact OD2-NH1 2.54Å; D65-R284 PolarHBondContact OD2-NH1 3.08Å; D65-R284 IonicContact OD2-NH2 2.83Å; R239-R284 PolarHBondContact NH2-O 2.87Å; L241-R284 HydrophobicContact CD1-CB 4.07Å; L241-R284 HydrophobicContact CD1-CG 4.25Å; N282-R284 PolarHBondContact O-N 3.2Å; N282-R284 WeakPolarHBondContact OD1-CB 3.31Å; N282-R284 PolarHBondContact OD1-N 3.35Å; R284-D286 PolarHBondContact O-N 2.99Å; R284-I312 HydrophobicContact CG-CD1 3.78Å
285L95.1Very high93.9Very high86 Ų8662.1 Ų62.145%0.4530%0.303SS..G310 helixtrans-75-10.5-177-61.6177.4000112.6S263 V266 N282 S283S263-L285 WeakPolarHBondContact CB-O 3.26Å; V266-L285 HydrophobicContact CG2-CB 3.92Å; N282-L285 HydrophobicContact CB-CD1 4.24Å; N282-L285 HydrophobicContact CB-CG 4.44Å; S283-L285 PolarHBondContact O-N 2.95Å
286D95.6Very high94.1Very high2 Ų261.5 Ų61.51%0.01131%0.312CS..  trans-77132.5-176.5-166.344.4000112.5P242 I244 S263 V266 S283 R284 C288P242-D286 HydrophobicContact CB-CB 4.43Å; P242-D286 HydrophobicContact CG-CB 4.46Å; I244-D286 HydrophobicContact CD1-CB 4.06Å; S263-D286 PolarHBondContact OG-OD1 3.43Å; S263-D286 VanDerWaalsContact OG-OD1 3.12Å; V266-D286 HydrophobicContact CG1-CB 4.1Å; V266-D286 HydrophobicContact CG2-CB 3.72Å; S283-D286 WeakPolarHBondContact O-CB 3.45Å; S283-D286 PolarHBondContact O-N 2.79Å; S283-D286 VanDerWaalsContact O-N 3.08Å; R284-D286 PolarHBondContact O-N 2.99Å; D286-C288 VanDerWaalsContact C-N 3.3Å; D286-C288 VanDerWaalsContact CG-N 3.32Å; D286-C288 WeakPolarHBondContact OD2-CA 3.34Å; D286-C288 PolarHBondContact OD2-N 2.85Å; D286-C288 PolarHBondContact OD2-SG 3.02Å
287T93.6Very high94Very high105 Ų10559.3 Ų59.364%0.64431%0.305SS*.  trans-84.6-7173.7540000112.6S263S263-T287 PolarHBondContact OG-N 3.31Å; S263-T287 PolarHBondContact OG-OG1 3.1Å
288C93.3Very high93.9Very high14 Ų1457.9 Ų57.910%0.09530%0.296CS..  trans55.152.8-174.8-63.90000113.5L17 D286 R290 R306L17-C288 HydrophobicContact CD2-CB 3.91Å; D286-C288 VanDerWaalsContact C-N 3.3Å; D286-C288 VanDerWaalsContact CG-N 3.32Å; D286-C288 WeakPolarHBondContact OD2-CA 3.34Å; D286-C288 PolarHBondContact OD2-N 2.85Å; D286-C288 PolarHBondContact OD2-SG 3.02Å; C288-R290 WeakPolarHBondContact O-CG 3.47Å; C288-R290 PolarHBondContact O-N 3.19Å; C288-R290 VanDerWaalsContact O-N 3.16Å; C288-R306 VanDerWaalsContact CB-NH2 3.34Å; C288-R306 VanDerWaalsContact SG-CZ 3.56Å; C288-R306 PolarHBondContact SG-NH2 3.13Å
289S94.4Very high93.8Very high70 Ų7060.9 Ų60.949%0.4931%0.308SS..  trans-58.5-22.3173.865.80000113.9C261 E291C261-S289 PolarHBondContact O-OG 3.25Å; S289-E291 PolarHBondContact O-N 3.48Å; S289-E291 PolarHBondContact OG-N 3.01Å
290R94.9Very high93.6Very high86 Ų8662.1 Ų62.133%0.32532%0.319SS..  trans63.117.2-174.8-47.1-175.9-167.2-1774.2114.6G18 C288 V292 L293 L304G18-R290 PolarHBondContact O-NH1 3.08Å; C288-R290 WeakPolarHBondContact O-CG 3.47Å; C288-R290 PolarHBondContact O-N 3.19Å; C288-R290 VanDerWaalsContact O-N 3.16Å; R290-V292 PolarHBondContact O-N 2.66Å; R290-V292 VanDerWaalsContact O-N 3.14Å; R290-L293 HydrophobicContact CB-CD1 4.1Å; R290-L293 HydrophobicContact CB-CG 4.47Å; R290-L293 WeakPolarHBondContact O-CB 3.21Å; R290-L293 PolarHBondContact O-N 2.93Å; R290-L304 HydrophobicContact CG-CD1 4.45Å
291E95.3Very high93.5Very high61 Ų6160.9 Ų60.929%0.28531%0.312SS..G310 helixtrans-57.6-33.1-178.5-172.761.6-162.900112.4C261 S289 L293 R294C261-E291 HydrophobicContact CB-CB 4.25Å; C261-E291 HydrophobicContact CB-CG 4.37Å; S289-E291 PolarHBondContact O-N 3.48Å; S289-E291 PolarHBondContact OG-N 3.01Å; E291-L293 PolarHBondContact O-N 3.36Å; E291-L293 VanDerWaalsContact O-N 3.11Å; E291-R294 WeakPolarHBondContact O-CB 3.49Å; E291-R294 PolarHBondContact O-N 2.74Å; E291-R294 IonicContact OE1-CZ 2.77Å; E291-R294 IonicContact OE1-NE 3.64Å; E291-R294 IonicContact OE1-NH1 3.22Å; E291-R294 PolarHBondContact OE1-NH1 3.33Å; E291-R294 WeakPolarHBondContact OE2-CD 3.4Å; E291-R294 IonicContact OE2-CZ 3.94Å; E291-R294 IonicContact OE2-NH1 3.6Å; E291-R294 PolarHBondContact OE2-NH1 2.58Å; E291-R294 VanDerWaalsContact OE2-NH1 3.1Å
292V94.3Very high93.4Very high1 Ų157 Ų571%0.00629%0.288CS..G310 helixtrans-55.6-30176.468.80000113.3L258 C261 F262 R290 R294 H295 L298 V302 L304L258-V292 HydrophobicContact CD1-CG2 3.65Å; C261-V292 HydrophobicContact CB-CB 4.1Å; F262-V292 HydrophobicContact CE2-CB 4.19Å; F262-V292 HydrophobicContact CE2-CG2 4.33Å; F262-V292 HydrophobicContact CZ-CB 4.04Å; F262-V292 HydrophobicContact CZ-CG1 3.93Å; F262-V292 HydrophobicContact CZ-CG2 4.41Å; R290-V292 PolarHBondContact O-N 2.66Å; R290-V292 VanDerWaalsContact O-N 3.14Å; V292-R294 VanDerWaalsContact C-N 3.26Å; V292-R294 PolarHBondContact O-N 2.75Å; V292-H295 PolarHBondContact O-N 2.87Å; V292-L298 HydrophobicContact CG2-CB 3.89Å; V292-V302 HydrophobicContact CG2-CB 4.27Å; V292-V302 HydrophobicContact CG2-CG2 4.07Å; V292-L304 HydrophobicContact CG1-CD1 3.84Å; V292-L304 HydrophobicContact CG1-CD2 4.35Å; V292-L304 HydrophobicContact CG1-CG 4.29Å
293L93.7Very high93.4Very high15 Ų1557.1 Ų57.18%0.07929%0.286CS..G310 helixtrans-75.5-14.8-177.9-57.7-178.7000112.9E19 R290 E291 H295 K299 L304E19-L293 HydrophobicContact CB-CB 4.44Å; E19-L293 HydrophobicContact CB-CD1 4.14Å; E19-L293 HydrophobicContact CG-CB 4.49Å; R290-L293 HydrophobicContact CB-CD1 4.1Å; R290-L293 HydrophobicContact CB-CG 4.47Å; R290-L293 WeakPolarHBondContact O-CB 3.21Å; R290-L293 PolarHBondContact O-N 2.93Å; E291-L293 PolarHBondContact O-N 3.36Å; E291-L293 VanDerWaalsContact O-N 3.11Å; L293-H295 VanDerWaalsContact C-N 3.3Å; L293-K299 HydrophobicContact CD2-CG 4.12Å; L293-L304 HydrophobicContact CD1-CD1 4.3Å; L293-L304 HydrophobicContact CG-CD1 4.27Å
294R93.4Very high93.5Very high177 Ų17756.4 Ų56.467%0.66828%0.28SS*.G310 helixtrans-77.3-18.4174.6-62.2176.368-167.31.6112.8E291 V292E291-R294 WeakPolarHBondContact O-CB 3.49Å; E291-R294 PolarHBondContact O-N 2.74Å; E291-R294 IonicContact OE1-CZ 2.77Å; E291-R294 IonicContact OE1-NE 3.64Å; E291-R294 IonicContact OE1-NH1 3.22Å; E291-R294 PolarHBondContact OE1-NH1 3.33Å; E291-R294 WeakPolarHBondContact OE2-CD 3.4Å; E291-R294 IonicContact OE2-CZ 3.94Å; E291-R294 IonicContact OE2-NH1 3.6Å; E291-R294 PolarHBondContact OE2-NH1 2.58Å; E291-R294 VanDerWaalsContact OE2-NH1 3.1Å; V292-R294 VanDerWaalsContact C-N 3.26Å; V292-R294 PolarHBondContact O-N 2.75Å
295H93.4Very high93.5Very high51 Ų5155.1 Ų55.124%0.23628%0.277CS..  trans-96.4109.5-179.3-65-71.1000110.6C261 V292 L293 D297 L298 K299C261-H295 PolarHBondContact SG-CD2 3.15Å; V292-H295 PolarHBondContact O-N 2.87Å; L293-H295 VanDerWaalsContact C-N 3.3Å; H295-D297 PolarHBondContact O-N 2.94Å; H295-D297 VanDerWaalsContact O-N 3.1Å; H295-L298 HydrophobicContact CB-CB 4.04Å; H295-L298 HydrophobicContact CB-CD1 3.97Å; H295-L298 HydrophobicContact CB-CG 4.13Å; H295-L298 PolarHBondContact O-N 3.49Å; H295-K299 WeakPolarHBondContact O-CB 3.31Å; H295-K299 PolarHBondContact O-N 2.83Å
296N90.9Very high93.6Very high144 Ų14452.7 Ų52.777%0.7726%0.262SS*.THydrogen-bonded Turntrans-56.1-30.1-177.7-72.9-26.4000114.2
297D90.9Very high93.7Very high55 Ų5553.3 Ų53.329%0.29427%0.266SS..THydrogen-bonded Turntrans-88.5-8.4-178.867.3-39.4000114.4R257 H295R257-D297 VanDerWaalsContact CZ-CG 3.49Å; R257-D297 IonicContact CZ-OD1 2.74Å; R257-D297 VanDerWaalsContact CZ-OD1 3.22Å; R257-D297 IonicContact CZ-OD2 2.71Å; R257-D297 IonicContact NE-OD1 2.64Å; R257-D297 IonicContact NH1-OD1 3.38Å; R257-D297 PolarHBondContact NH1-OD1 3.46Å; R257-D297 IonicContact NH1-OD2 2.78Å; R257-D297 PolarHBondContact NH1-OD2 3.14Å; R257-D297 IonicContact NH2-OD1 2.98Å; R257-D297 IonicContact NH2-OD2 2.75Å; R257-D297 PolarHBondContact NH2-OD2 3.02Å; H295-D297 PolarHBondContact O-N 2.94Å; H295-D297 VanDerWaalsContact O-N 3.1Å
298L91.7Very high93.8Very high0 Ų049.4 Ų49.40%024%0.239CC..THydrogen-bonded Turntrans-111.5-24.4176.3-61.8175.4000112.8V250 K254 R257 L258 V292 H295 N300 C301 V302V250-L298 HydrophobicContact CG1-CD2 4.28Å; K254-L298 HydrophobicContact CB-CD2 4.25Å; R257-L298 HydrophobicContact CB-CD1 4.38Å; R257-L298 HydrophobicContact CG-CD1 4.18Å; L258-L298 HydrophobicContact CB-CD1 4.42Å; L258-L298 HydrophobicContact CB-CD2 4.4Å; L258-L298 HydrophobicContact CD1-CB 4.43Å; L258-L298 HydrophobicContact CD1-CD1 4.18Å; L258-L298 HydrophobicContact CD1-CD2 4.21Å; V292-L298 HydrophobicContact CG2-CB 3.89Å; H295-L298 HydrophobicContact CB-CB 4.04Å; H295-L298 HydrophobicContact CB-CD1 3.97Å; H295-L298 HydrophobicContact CB-CG 4.13Å; H295-L298 PolarHBondContact O-N 3.49Å; L298-N300 PolarHBondContact O-N 3.07Å; L298-N300 VanDerWaalsContact O-N 3.17Å; L298-C301 PolarHBondContact O-N 2.69Å; L298-V302 PolarHBondContact O-N 3.29Å
299K90Very high93.9Very high69 Ų6952 Ų5230%0.325%0.252SS..THydrogen-bonded Turntrans-54.3-36.3-175.7-178.8179.9172.1-176.10113.9E19 L293 H295E19-K299 VanDerWaalsContact OE2-CE 3.26Å; E19-K299 WeakPolarHBondContact OE2-CE 3.09Å; E19-K299 IonicContact OE2-NZ 3.81Å; E19-K299 PolarHBondContact OE2-NZ 3.11Å; L293-K299 HydrophobicContact CD2-CG 4.12Å; H295-K299 WeakPolarHBondContact O-CB 3.31Å; H295-K299 PolarHBondContact O-N 2.83Å
300N91.4Very high94.1Very high123 Ų12349.8 Ų49.866%0.65823%0.234SC*.THydrogen-bonded Turntrans-89.2-9.5179.9-63.6-23.1000113.3L247 L298L247-N300 WeakPolarHBondContact CD1-O 3.48Å; L298-N300 PolarHBondContact O-N 3.07Å; L298-N300 VanDerWaalsContact O-N 3.17Å
301C92.1Very high94.2Very high13 Ų1345.8 Ų45.89%0.08822%0.219CC..THydrogen-bonded Turntrans-90.1-13.9-179.1-57.40000112.5L246 L247 V250 L298L246-C301 WeakPolarHBondContact CA-O 3.46Å; L247-C301 PolarHBondContact N-O 3.34Å; V250-C301 HydrophobicContact CG2-CB 3.88Å; L298-C301 PolarHBondContact O-N 2.69Å
302V93.3Very high94.4Very high8 Ų842.9 Ų42.95%0.04821%0.205CC..EExtended strand (participates in β ladder)trans-128.7137.5-174.2-174.80000111.6I244 L246 L258 F262 V292 L298 L304I244-V302 HydrophobicContact CG2-CG1 3.79Å; L246-V302 HydrophobicContact CD2-CG2 3.72Å; L258-V302 HydrophobicContact CD1-CG2 3.67Å; L258-V302 HydrophobicContact CD2-CG2 4.45Å; F262-V302 HydrophobicContact CZ-CG1 4.19Å; V292-V302 HydrophobicContact CG2-CB 4.27Å; V292-V302 HydrophobicContact CG2-CG2 4.07Å; L298-V302 PolarHBondContact O-N 3.29Å; V302-L304 HydrophobicContact CG1-CD2 3.94Å; V302-L304 HydrophobicContact CG1-CG 4.47Å
303K94.3Very high94.5Very high66 Ų6643 Ų4329%0.28721%0.206SC..EExtended strand (participates in β ladder)trans-111.4120.8169.8-171.8175.3-176.41730109.3E10 T245 L247E10-K303 WeakPolarHBondContact OE1-CE 3.46Å; E10-K303 IonicContact OE1-NZ 2.84Å; E10-K303 PolarHBondContact OE1-NZ 3.22Å; E10-K303 IonicContact OE2-NZ 3.98Å; E10-K303 PolarHBondContact OE2-NZ 2.91Å; T245-K303 PolarHBondContact N-O 3.4Å; T245-K303 PolarHBondContact O-N 3.12Å; L247-K303 HydrophobicContact CD1-CB 4.42Å; L247-K303 HydrophobicContact CD2-CB 4.19Å; L247-K303 HydrophobicContact CD2-CD 4.43Å; L247-K303 HydrophobicContact CG-CB 4.3Å
304L95.9Very high94.8Very high7 Ų743.5 Ų43.54%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-96.9122.2175.7-59.9179.9000109.5L17 I244 F262 R290 V292 L293 V302L17-L304 HydrophobicContact CB-CB 3.93Å; L17-L304 PolarHBondContact N-O 2.69Å; I244-L304 HydrophobicContact CG1-CD2 4.07Å; I244-L304 HydrophobicContact CG2-CD2 4.33Å; F262-L304 HydrophobicContact CE1-CD2 3.73Å; F262-L304 HydrophobicContact CZ-CD2 3.92Å; R290-L304 HydrophobicContact CG-CD1 4.45Å; V292-L304 HydrophobicContact CG1-CD1 3.84Å; V292-L304 HydrophobicContact CG1-CD2 4.35Å; V292-L304 HydrophobicContact CG1-CG 4.29Å; L293-L304 HydrophobicContact CD1-CD1 4.3Å; L293-L304 HydrophobicContact CG-CD1 4.27Å; V302-L304 HydrophobicContact CG1-CD2 3.94Å; V302-L304 HydrophobicContact CG1-CG 4.47Å
305G96.1Very high95Very high4 Ų435 Ų354%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-136.9175178.100000112.5V15 E243V15-G305 CarbonylContact O-C 3.54Å; V15-G305 VanDerWaalsContact O-CA 3.24Å; V15-G305 WeakPolarHBondContact O-CA 3.21Å; E243-G305 PolarHBondContact N-O 2.92Å; E243-G305 CarbonylContact O-C 3.55Å; E243-G305 WeakPolarHBondContact O-CA 3.45Å; E243-G305 PolarHBondContact O-N 2.98Å; E243-G305 VanDerWaalsContact O-O 3.13Å
306R97.3Very high95.2Very high35 Ų3536.5 Ų36.513%0.13219%0.185CC..EExtended strand (participates in β ladder)trans-134.7139.9168.6-63.6-88.8175.2153.85.3108.2R14 V15 L17 L240 L241 C288R14-R306 WeakPolarHBondContact CA-O 3.45Å; V15-R306 HydrophobicContact CB-CB 4.23Å; V15-R306 PolarHBondContact N-O 3.2Å; V15-R306 PolarHBondContact O-N 2.86Å; L17-R306 HydrophobicContact CD1-CG 3.74Å; L240-R306 HydrophobicContact CB-CB 3.77Å; L240-R306 HydrophobicContact CB-CG 4.26Å; L240-R306 HydrophobicContact CD1-CB 4.07Å; L240-R306 VanDerWaalsContact O-CD 3.25Å; L240-R306 WeakPolarHBondContact O-CD 3.26Å; L240-R306 PolarHBondContact O-NH1 2.74Å; L241-R306 VanDerWaalsContact O-CA 3.29Å; L241-R306 WeakPolarHBondContact O-CA 3.32Å; C288-R306 VanDerWaalsContact CB-NH2 3.34Å; C288-R306 VanDerWaalsContact SG-CZ 3.56Å; C288-R306 PolarHBondContact SG-NH2 3.13Å
307V96.9Very high95.5Very high16 Ų1630.1 Ų30.110%0.09715%0.151CC..EExtended strand (participates in β ladder)trans-77.7120.9174.8-177.70000108.3L241 E243 D309 H310L241-V307 HydrophobicContact CB-CB 4.47Å; L241-V307 HydrophobicContact CD2-CG2 4.46Å; L241-V307 PolarHBondContact O-N 3.02Å; E243-V307 HydrophobicContact CB-CG2 4.12Å; V307-D309 WeakPolarHBondContact CG1-OD1 3.07Å; V307-H310 HydrophobicContact CB-CB 4.01Å; V307-H310 HydrophobicContact CG1-CB 3.73Å
308R95.8Very high95.7Very high22 Ų2229 Ų298%0.08315%0.146CC..EExtended strand (participates in β ladder)trans-68.8-38.3-169.2-177.4176.2-66.3160.92.2113.6I11 R12 S13 N24 H26 L240 F311I11-R308 PolarHBondContact O-NH1 3.32Å; I11-R308 PolarHBondContact O-NH2 2.98Å; R12-R308 VanDerWaalsContact C-NH1 3.28Å; R12-R308 PolarHBondContact O-NH1 2.74Å; S13-R308 WeakPolarHBondContact O-CB 3.34Å; S13-R308 PolarHBondContact O-N 3.44Å; S13-R308 VanDerWaalsContact O-N 3.14Å; N24-R308 PolarHBondContact O-NH2 3.46Å; H26-R308 VanDerWaalsContact O-CZ 3.24Å; H26-R308 PolarHBondContact O-NH1 2.87Å; H26-R308 PolarHBondContact O-NH2 2.98Å; L240-R308 VanDerWaalsContact CD2-O 3.25Å; L240-R308 WeakPolarHBondContact CD2-O 3.37Å; R308-F311 WeakPolarHBondContact O-CE2 3.42Å; R308-F311 WeakPolarHBondContact O-CZ 3.2Å
309D96.1Very high95.8Very high70 Ų7029.5 Ų29.537%0.37415%0.151SC..EExtended strand (participates in β ladder)trans-9512.7-174.765-32.3000112.9V67 G68 V307V67-D309 CarbonylContact C-O 3.5Å; V67-D309 VanDerWaalsContact CA-O 3.25Å; V67-D309 WeakPolarHBondContact CA-O 3.29Å; G68-D309 PolarHBondContact N-O 3Å; V307-D309 WeakPolarHBondContact CG1-OD1 3.07Å
310H97.9Very high96Very high22 Ų2226.8 Ų26.810%0.10214%0.14CC..EExtended strand (participates in β ladder)trans-123103.5179.7-168.7149.4000110.1D65 L240 L241 V307D65-H310 IonicContact OD1-NE2 2.66Å; D65-H310 IonicContact OD2-NE2 2.58Å; D65-H310 PolarHBondContact OD2-NE2 3.04Å; L240-H310 CarbonylContact C-O 3.49Å; L240-H310 WeakPolarHBondContact CA-O 3.39Å; L241-H310 HydrophobicContact CB-CB 4.03Å; L241-H310 WeakPolarHBondContact CD2-ND1 3.35Å; L241-H310 PolarHBondContact N-O 3.16Å; V307-H310 HydrophobicContact CB-CB 4.01Å; V307-H310 HydrophobicContact CG1-CB 3.73Å
311F98.3Very high96.1Very high3 Ų321.5 Ų21.51%0.01311%0.112CC..EExtended strand (participates in β ladder)trans-101.2130.4179.2-61.6-93.9000110.5D65 M66 I69 A71 A74 Y238 L240 R308 F313D65-F311 CarbonylContact C-O 3.38Å; D65-F311 VanDerWaalsContact CA-O 3.26Å; D65-F311 WeakPolarHBondContact CA-O 3.28Å; M66-F311 HydrophobicContact CB-CB 4.38Å; M66-F311 PolarHBondContact N-O 3.19Å; M66-F311 PolarHBondContact O-N 3.46Å; I69-F311 HydrophobicContact CG2-CD2 3.67Å; I69-F311 HydrophobicContact CG2-CE2 3.91Å; I69-F311 VanDerWaalsContact O-CE2 3.26Å; I69-F311 WeakPolarHBondContact O-CE2 3.03Å; A71-F311 HydrophobicContact CB-CE1 4.24Å; A71-F311 HydrophobicContact CB-CZ 3.95Å; A74-F311 HydrophobicContact CB-CD1 4.08Å; A74-F311 HydrophobicContact CB-CD2 4.4Å; A74-F311 HydrophobicContact CB-CE1 4.1Å; A74-F311 HydrophobicContact CB-CE2 4.46Å; A74-F311 HydrophobicContact CB-CG 4.23Å; A74-F311 HydrophobicContact CB-CZ 4.31Å; Y238-F311 AromaticContact CD2-CD1 3.5Å; Y238-F311 HydrophobicContact CD2-CD1 3.5Å; Y238-F311 VanDerWaalsContact CD2-CD1 3.5Å; Y238-F311 HydrophobicContact CD2-CE1 4Å; Y238-F311 AromaticContact CE2-CD1 3.78Å; Y238-F311 HydrophobicContact CE2-CD1 3.78Å; Y238-F311 AromaticContact CE2-CE1 3.77Å; Y238-F311 HydrophobicContact CE2-CE1 3.77Å; Y238-F311 HydrophobicContact CG-CD1 4.13Å; L240-F311 HydrophobicContact CD2-CD1 3.74Å; L240-F311 HydrophobicContact CD2-CE1 3.44Å; L240-F311 VanDerWaalsContact CD2-CE1 3.44Å; L240-F311 HydrophobicContact CD2-CE2 4.26Å; L240-F311 HydrophobicContact CD2-CG 4.29Å; L240-F311 HydrophobicContact CD2-CZ 3.72Å; R308-F311 WeakPolarHBondContact O-CE2 3.42Å; R308-F311 WeakPolarHBondContact O-CZ 3.2Å; F311-F313 HydrophobicContact CB-CD2 3.87Å; F311-F313 HydrophobicContact CB-CE2 3.71Å; F311-F313 HydrophobicContact CG-CE2 4.3Å
312I98.1Very high96.3Very high0 Ų023.9 Ų23.90%013%0.127CC..EExtended strand (participates in β ladder)trans-97.6108.6167.4-58.2167.6000106.6E63 D65 Y238 R239 L241 R284E63-I312 HydrophobicContact CG-CG2 4.01Å; D65-I312 WeakPolarHBondContact OD1-CG1 3.09Å; Y238-I312 CarbonylContact C-O 3.53Å; Y238-I312 WeakPolarHBondContact CA-O 3.48Å; Y238-I312 WeakPolarHBondContact CB-O 3.18Å; R239-I312 HydrophobicContact CG-CB 4.1Å; R239-I312 HydrophobicContact CG-CD1 4.37Å; R239-I312 PolarHBondContact N-O 3.01Å; R239-I312 PolarHBondContact O-N 3.36Å; L241-I312 HydrophobicContact CB-CD1 4.35Å; L241-I312 HydrophobicContact CD1-CD1 3.85Å; R284-I312 HydrophobicContact CG-CD1 3.78Å
313F98.1Very high96.5Very high2 Ų223.5 Ų23.51%0.00913%0.125CC..EExtended strand (participates in β ladder)trans-90.7140.6176.1-90.5-100.9000110.9E63 F64 M66 A74 R78 Y238 F311E63-F313 VanDerWaalsContact CA-O 3.29Å; E63-F313 WeakPolarHBondContact CA-O 3.36Å; E63-F313 WeakPolarHBondContact CG-O 3.18Å; F64-F313 HydrophobicContact CD1-CB 3.89Å; F64-F313 HydrophobicContact CD2-CB 4.31Å; F64-F313 HydrophobicContact CE1-CB 3.52Å; F64-F313 HydrophobicContact CE1-CG 4.26Å; F64-F313 HydrophobicContact CE2-CB 4Å; F64-F313 HydrophobicContact CE2-CD2 4.46Å; F64-F313 HydrophobicContact CE2-CG 4.24Å; F64-F313 HydrophobicContact CG-CB 4.29Å; F64-F313 HydrophobicContact CZ-CB 3.58Å; F64-F313 HydrophobicContact CZ-CD1 4.21Å; F64-F313 HydrophobicContact CZ-CD2 4.49Å; F64-F313 AromaticContact CZ-CG 3.86Å; F64-F313 HydrophobicContact CZ-CG 3.86Å; F64-F313 PolarHBondContact N-O 3.14Å; F64-F313 VanDerWaalsContact N-O 3.1Å; F64-F313 PolarHBondContact O-N 3.28Å; M66-F313 HydrophobicContact CG-CD2 4.04Å; M66-F313 HydrophobicContact CG-CE2 4.3Å; M66-F313 HydrophobicContact SD-CD2 3.77Å; M66-F313 HydrophobicContact SD-CE2 3.58Å; M66-F313 VanDerWaalsContact SD-CE2 3.58Å; M66-F313 HydrophobicContact SD-CG 4.5Å; M66-F313 HydrophobicContact SD-CZ 4.16Å; A74-F313 HydrophobicContact CB-CE2 3.96Å; A74-F313 HydrophobicContact CB-CZ 3.82Å; A74-F313 WeakPolarHBondContact O-CZ 3.23Å; R78-F313 HydrophobicContact CB-CE1 4.39Å; Y238-F313 AromaticContact CD1-CE1 3.85Å; Y238-F313 HydrophobicContact CD1-CE1 3.85Å; Y238-F313 HydrophobicContact CD1-CE2 4.21Å; Y238-F313 AromaticContact CD1-CZ 3.61Å; Y238-F313 HydrophobicContact CD1-CZ 3.61Å; Y238-F313 HydrophobicContact CE1-CZ 4.45Å; Y238-F313 HydrophobicContact CG-CE1 4.38Å; Y238-F313 HydrophobicContact CG-CE2 4.14Å; Y238-F313 HydrophobicContact CG-CZ 4.01Å; F311-F313 HydrophobicContact CB-CD2 3.87Å; F311-F313 HydrophobicContact CB-CE2 3.71Å; F311-F313 HydrophobicContact CG-CE2 4.3Å
314T98.1Very high96.6Very high26 Ų2623.7 Ų23.716%0.1613%0.129CC..EExtended strand (participates in β ladder)trans-127.9120.3169.9-52.40000108.1M62 S237 E316M62-T314 WeakPolarHBondContact O-CA 3.42Å; S237-T314 PolarHBondContact N-O 3.42Å; S237-T314 PolarHBondContact O-N 3.1Å; T314-E316 HydrophobicContact CG2-CG 4.45Å
315V98.1Very high96.6Very high0 Ų024.9 Ų24.90%014%0.136CC..EExtended strand (participates in β ladder)trans-122.8114.6179.9-177.90000108.4S61 M62 F64 L81 V233 P323 V327S61-V315 WeakPolarHBondContact CA-O 3.41Å; M62-V315 PolarHBondContact N-O 3.11Å; M62-V315 PolarHBondContact O-N 2.99Å; F64-V315 HydrophobicContact CE1-CG2 4.14Å; L81-V315 HydrophobicContact CD1-CG2 3.95Å; V233-V315 HydrophobicContact CG1-CG1 3.87Å; V315-P323 HydrophobicContact CG1-CB 4.21Å; V315-V327 HydrophobicContact CG2-CG2 4.05Å
316E98.1Very high96.6Very high82 Ų8224.7 Ų24.738%0.38313%0.134SC..EExtended strand (participates in β ladder)trans-107.5114.4176-65.8177.5-179.500108.7N60 V233 A234 T235 T314N60-E316 CarbonylContact O-C 3.51Å; N60-E316 WeakPolarHBondContact O-CA 3.46Å; V233-E316 CarbonylContact C-O 3.56Å; V233-E316 WeakPolarHBondContact CA-O 3.24Å; V233-E316 WeakPolarHBondContact CB-O 3.44Å; A234-E316 HydrophobicContact CB-CB 4.18Å; A234-E316 PolarHBondContact N-O 2.87Å; T235-E316 HydrophobicContact CG2-CB 4.37Å; T235-E316 HydrophobicContact CG2-CG 4.35Å; T235-E316 PolarHBondContact O-N 3.05Å; T314-E316 HydrophobicContact CG2-CG 4.45Å
317S97.4Very high96.6Very high9 Ų924.1 Ų24.16%0.06314%0.135CC..EExtended strand (participates in β ladder)trans-76.3148.4175.7-179.90000111.2N60 G319 M321N60-S317 PolarHBondContact O-N 2.97Å; S317-G319 PolarHBondContact O-N 2.88Å; S317-G319 PolarHBondContact OG-N 2.81Å; S317-M321 WeakPolarHBondContact CB-O 3.38Å; S317-M321 PolarHBondContact OG-O 2.79Å
318T96.1Very high96.6Very high31 Ų3126.7 Ų26.719%0.1915%0.151CC..  trans-76.90.1167.358.90000113.1V198 P232 A234V198-T318 WeakPolarHBondContact CG1-O 3.48Å; P232-T318 PolarHBondContact O-N 2.85Å; P232-T318 PolarHBondContact O-OG1 2.67Å; P232-T318 VanDerWaalsContact O-OG1 3.1Å; A234-T318 HydrophobicContact CB-CG2 4.43Å
319G93.6Very high96.6Very high11 Ų1127.3 Ų27.311%0.11315%0.154CC..SBendtrans89.55.3178.100000115N60 S317N60-G319 WeakPolarHBondContact OD1-CA 3.17Å; S317-G319 PolarHBondContact O-N 2.88Å; S317-G319 PolarHBondContact OG-N 2.81Å
320I93.4Very high96.7Very high13 Ų1324 Ų247%0.06714%0.137CC..SBendtrans-65.5-46.2171.3-61.2174.7000110.1T87 P115 V198T87-I320 HydrophobicContact CG2-CD1 3.93Å; T87-I320 HydrophobicContact CG2-CG2 4.39Å; P115-I320 HydrophobicContact CB-CD1 4.05Å; P115-I320 HydrophobicContact CB-CG1 3.91Å; V198-I320 HydrophobicContact CG2-CG1 4.15Å
321M93.4Very high96.6Very high12 Ų1226.2 Ų26.26%0.05915%0.149CC..SBendtrans-139.3151.7177.3-74.6-179.8-76.400109.9V85 T87 P120 S317 V325 L326V85-M321 HydrophobicContact CG1-CE 4.47Å; T87-M321 HydrophobicContact CG2-CE 4.47Å; P120-M321 HydrophobicContact CG-CE 3.51Å; P120-M321 HydrophobicContact CG-SD 3.94Å; S317-M321 WeakPolarHBondContact CB-O 3.38Å; S317-M321 PolarHBondContact OG-O 2.79Å; M321-V325 HydrophobicContact SD-CG1 4.39Å; M321-L326 HydrophobicContact CB-CD2 3.99Å; M321-L326 HydrophobicContact CB-CG 4.33Å; M321-L326 HydrophobicContact CE-CD2 3.71Å
322P95.9Very high96.6Very high62 Ų6230.5 Ų30.540%0.40317%0.167SC..  trans-68149.7176.532.2-36.7000110.8D324 V325 L326P322-D324 VanDerWaalsContact C-N 3.32Å; P322-D324 VanDerWaalsContact CB-OD1 3.24Å; P322-D324 WeakPolarHBondContact CB-OD1 3.46Å; P322-D324 WeakPolarHBondContact CG-OD1 3.18Å; P322-D324 PolarHBondContact O-N 3.09Å; P322-V325 HydrophobicContact CG-CB 4.12Å; P322-V325 HydrophobicContact CG-CG2 3.73Å; P322-V325 PolarHBondContact O-N 2.87Å; P322-L326 PolarHBondContact O-N 3.48Å
323P97Very high96.6Very high1 Ų132.1 Ų32.11%0.00618%0.177CC..Hα-helixtrans-66.9-27.2-168.826-35.8000114.6L57 E59 M62 V315 L326 V327L57-P323 HydrophobicContact CD1-CG 4.05Å; E59-P323 WeakPolarHBondContact O-CD 3.18Å; M62-P323 HydrophobicContact CB-CB 3.73Å; M62-P323 HydrophobicContact CB-CG 3.76Å; V315-P323 HydrophobicContact CG1-CB 4.21Å; P323-L326 WeakPolarHBondContact O-CB 3.42Å; P323-L326 PolarHBondContact O-N 3.49Å; P323-V327 WeakPolarHBondContact O-CG2 3.38Å; P323-V327 PolarHBondContact O-N 3.2Å
324D96.4Very high96.5Very high69 Ų6934.6 Ų34.637%0.36919%0.19SC..Hα-helixtrans-64.2-41.2174.461.2-28.9000112.3M62 P322 T328M62-D324 HydrophobicContact SD-CB 4.36Å; P322-D324 VanDerWaalsContact C-N 3.32Å; P322-D324 VanDerWaalsContact CB-OD1 3.24Å; P322-D324 WeakPolarHBondContact CB-OD1 3.46Å; P322-D324 WeakPolarHBondContact CG-OD1 3.18Å; P322-D324 PolarHBondContact O-N 3.09Å; D324-T328 PolarHBondContact O-N 3.02Å; D324-T328 PolarHBondContact O-OG1 3Å
325V96.3Very high96.5Very high33 Ų3339.4 Ų39.420%0.221%0.212CC..Hα-helixtrans-66.6-42173176.70000110M321 P322 V327 T328 E329M321-V325 HydrophobicContact SD-CG1 4.39Å; P322-V325 HydrophobicContact CG-CB 4.12Å; P322-V325 HydrophobicContact CG-CG2 3.73Å; P322-V325 PolarHBondContact O-N 2.87Å; V325-V327 PolarHBondContact O-N 3.14Å; V325-T328 WeakPolarHBondContact O-CB 3.42Å; V325-T328 PolarHBondContact O-N 3.42Å; V325-T328 VanDerWaalsContact O-N 3.15Å; V325-E329 HydrophobicContact CG1-CG 4.13Å; V325-E329 WeakPolarHBondContact O-CG 3.4Å; V325-E329 PolarHBondContact O-N 3.48Å
326L97.1Very high96.4Very high0 Ų043.5 Ų43.50%024%0.238CC..Hα-helixtrans-58.1-45.8178.1-67179.9000112.7L81 V85 P232 V233 M321 P322 P323 T328 E329 A330L81-L326 HydrophobicContact CD2-CB 3.94Å; L81-L326 WeakPolarHBondContact CD2-O 3.46Å; V85-L326 HydrophobicContact CG1-CD2 4.1Å; P232-L326 HydrophobicContact CB-CD1 4.09Å; P232-L326 HydrophobicContact CB-CD2 3.55Å; P232-L326 HydrophobicContact CG-CD2 3.98Å; V233-L326 HydrophobicContact CG1-CD1 3.85Å; M321-L326 HydrophobicContact CB-CD2 3.99Å; M321-L326 HydrophobicContact CB-CG 4.33Å; M321-L326 HydrophobicContact CE-CD2 3.71Å; P322-L326 PolarHBondContact O-N 3.48Å; P323-L326 WeakPolarHBondContact O-CB 3.42Å; P323-L326 PolarHBondContact O-N 3.49Å; L326-T328 VanDerWaalsContact C-N 3.31Å; L326-T328 PolarHBondContact O-N 2.99Å; L326-E329 PolarHBondContact O-N 3.49Å; L326-A330 WeakPolarHBondContact O-CB 3.48Å; L326-A330 PolarHBondContact O-N 2.92Å
327V96.8Very high96.3Very high23 Ų2343.6 Ų43.614%0.13924%0.237CC..Hα-helixtrans-63.3-41.4177.4174.90000110.7M62 F64 V315 P323 V325 A330 I331M62-V327 HydrophobicContact SD-CG2 4.36Å; F64-V327 HydrophobicContact CE1-CG2 3.91Å; F64-V327 HydrophobicContact CZ-CG1 4.03Å; F64-V327 HydrophobicContact CZ-CG2 4.12Å; V315-V327 HydrophobicContact CG2-CG2 4.05Å; P323-V327 WeakPolarHBondContact O-CG2 3.38Å; P323-V327 PolarHBondContact O-N 3.2Å; V325-V327 PolarHBondContact O-N 3.14Å; V327-A330 PolarHBondContact O-N 3.18Å; V327-I331 HydrophobicContact CG1-CD1 4.24Å; V327-I331 WeakPolarHBondContact O-CG1 3.33Å; V327-I331 PolarHBondContact O-N 2.85Å; V327-I331 VanDerWaalsContact O-N 3.11Å
328T96.8Very high96.3Very high70 Ų7046.8 Ų46.843%0.42926%0.258SS..Hα-helixtrans-63.5-44.3177.9-58.10000111.9D324 V325 L326 I331 K332D324-T328 PolarHBondContact O-N 3.02Å; D324-T328 PolarHBondContact O-OG1 3Å; V325-T328 WeakPolarHBondContact O-CB 3.42Å; V325-T328 PolarHBondContact O-N 3.42Å; V325-T328 VanDerWaalsContact O-N 3.15Å; L326-T328 VanDerWaalsContact C-N 3.31Å; L326-T328 PolarHBondContact O-N 2.99Å; T328-I331 PolarHBondContact O-N 2.81Å; T328-K332 WeakPolarHBondContact O-CG 3.36Å; T328-K332 PolarHBondContact O-N 3.14Å; T328-K332 VanDerWaalsContact O-N 3.12Å
329E96.5Very high96.3Very high34 Ų3449.9 Ų49.916%0.15927%0.27CS..Hα-helixtrans-65.4-38.5175.9-67.9-52.8135.300111.7V85 R121 V325 L326 I331 K332 V333V85-E329 HydrophobicContact CG1-CB 4.4Å; R121-E329 IonicContact NH1-OE1 2.62Å; V325-E329 HydrophobicContact CG1-CG 4.13Å; V325-E329 WeakPolarHBondContact O-CG 3.4Å; V325-E329 PolarHBondContact O-N 3.48Å; L326-E329 PolarHBondContact O-N 3.49Å; E329-I331 VanDerWaalsContact C-N 3.3Å; E329-I331 PolarHBondContact O-N 2.74Å; E329-K332 PolarHBondContact O-N 2.86Å; E329-K332 VanDerWaalsContact O-N 3.16Å; E329-K332 IonicContact OE1-NZ 3.35Å; E329-K332 PolarHBondContact OE1-NZ 2.74Å; E329-K332 IonicContact OE2-NZ 3.48Å; E329-V333 WeakPolarHBondContact O-CG2 3.36Å; E329-V333 PolarHBondContact O-N 2.77Å
330A97.3Very high96.4Very high1 Ų152.2 Ų52.21%0.00828%0.282CS..Hα-helixtrans-61.3-38.2175.600000112.8I80 L81 V85 L326 V327 V333 L334I80-A330 HydrophobicContact CB-CB 4.27Å; I80-A330 HydrophobicContact CG2-CB 3.66Å; L81-A330 HydrophobicContact CD2-CB 3.74Å; L81-A330 HydrophobicContact CG-CB 3.76Å; V85-A330 HydrophobicContact CG2-CB 3.99Å; L326-A330 WeakPolarHBondContact O-CB 3.48Å; L326-A330 PolarHBondContact O-N 2.92Å; V327-A330 PolarHBondContact O-N 3.18Å; A330-V333 PolarHBondContact O-N 2.9Å; A330-L334 PolarHBondContact O-N 3.41Å
331I96.7Very high96.5Very high68 Ų6857.8 Ų57.835%0.34931%0.306SS..Hα-helixtrans-65.8-43.7174.9-65.6164.4000110.6F77 V327 T328 E329 V333 L334 M335F77-I331 HydrophobicContact CD1-CG1 4.07Å; F77-I331 HydrophobicContact CE1-CB 4.28Å; F77-I331 HydrophobicContact CE1-CG1 3.7Å; F77-I331 HydrophobicContact CZ-CG1 4.03Å; V327-I331 HydrophobicContact CG1-CD1 4.24Å; V327-I331 WeakPolarHBondContact O-CG1 3.33Å; V327-I331 PolarHBondContact O-N 2.85Å; V327-I331 VanDerWaalsContact O-N 3.11Å; T328-I331 PolarHBondContact O-N 2.81Å; E329-I331 VanDerWaalsContact C-N 3.3Å; E329-I331 PolarHBondContact O-N 2.74Å; I331-V333 VanDerWaalsContact C-N 3.35Å; I331-V333 PolarHBondContact O-N 2.87Å; I331-L334 PolarHBondContact O-N 3.48Å; I331-M335 PolarHBondContact O-N 2.72Å
332K97.4Very high96.6Very high94 Ų9461.4 Ų61.441%0.40933%0.326SS..Hα-helixtrans-61.2-41.4177.2-69.6173.7-173.6168.40112T328 E329 L334 M335 T336T328-K332 WeakPolarHBondContact O-CG 3.36Å; T328-K332 PolarHBondContact O-N 3.14Å; T328-K332 VanDerWaalsContact O-N 3.12Å; E329-K332 PolarHBondContact O-N 2.86Å; E329-K332 VanDerWaalsContact O-N 3.16Å; E329-K332 IonicContact OE1-NZ 3.35Å; E329-K332 PolarHBondContact OE1-NZ 2.74Å; E329-K332 IonicContact OE2-NZ 3.48Å; K332-L334 VanDerWaalsContact C-N 3.31Å; K332-L334 PolarHBondContact O-N 2.89Å; K332-M335 WeakPolarHBondContact O-CB 3.45Å; K332-M335 PolarHBondContact O-N 2.9Å; K332-M335 VanDerWaalsContact O-N 3.13Å; K332-T336 PolarHBondContact O-N 3.19Å; K332-T336 PolarHBondContact O-OG1 3.34Å; K332-T336 VanDerWaalsContact O-OG1 3.05Å
333V97.2Very high96.6Very high33 Ų3362.6 Ų62.620%0.233%0.328CS..Hα-helixtrans-58.9-43.41771700000111.2I80 E84 E329 A330 I331 T336 K337I80-V333 HydrophobicContact CD1-CG1 4.44Å; I80-V333 HydrophobicContact CG2-CB 3.8Å; I80-V333 HydrophobicContact CG2-CG1 3.83Å; I80-V333 HydrophobicContact CG2-CG2 4.37Å; E84-V333 HydrophobicContact CB-CG1 4.16Å; E329-V333 WeakPolarHBondContact O-CG2 3.36Å; E329-V333 PolarHBondContact O-N 2.77Å; A330-V333 PolarHBondContact O-N 2.9Å; I331-V333 VanDerWaalsContact C-N 3.35Å; I331-V333 PolarHBondContact O-N 2.87Å; V333-T336 PolarHBondContact O-N 3.44Å; V333-K337 WeakPolarHBondContact O-CG 3.36Å; V333-K337 PolarHBondContact O-N 3.16Å; V333-K337 VanDerWaalsContact O-N 3.09Å
334L96.9Very high96.5Very high55 Ų5567.2 Ų67.229%0.28835%0.35SS..Hα-helixtrans-63.7-42.2175.8-17358.5000111.7F77 I80 A330 I331 K332 K337 C338F77-L334 HydrophobicContact CD1-CD2 4.25Å; F77-L334 HydrophobicContact CE1-CB 4.46Å; F77-L334 HydrophobicContact CE1-CD2 3.65Å; F77-L334 HydrophobicContact CZ-CD2 4.32Å; I80-L334 HydrophobicContact CD1-CB 3.63Å; I80-L334 HydrophobicContact CD1-CD1 4.14Å; I80-L334 HydrophobicContact CD1-CG 4.34Å; A330-L334 PolarHBondContact O-N 3.41Å; I331-L334 PolarHBondContact O-N 3.48Å; K332-L334 VanDerWaalsContact C-N 3.31Å; K332-L334 PolarHBondContact O-N 2.89Å; L334-K337 PolarHBondContact O-N 2.62Å; L334-C338 PolarHBondContact O-N 3.35Å
335M97.4Very high96.4Very high126 Ų12669.6 Ų69.662%0.62136%0.36SS*.Hα-helixtrans-61.2-46.6177.5-170.8-176.7-61.400111.7I331 K332 K337 C338 Q339I331-M335 PolarHBondContact O-N 2.72Å; K332-M335 WeakPolarHBondContact O-CB 3.45Å; K332-M335 PolarHBondContact O-N 2.9Å; K332-M335 VanDerWaalsContact O-N 3.13Å; M335-K337 VanDerWaalsContact C-N 3.32Å; M335-K337 PolarHBondContact O-N 3.48Å; M335-C338 PolarHBondContact O-N 3.31Å; M335-Q339 PolarHBondContact O-N 3.21Å
336T96.9Very high96.3Very high87 Ų8772.5 Ų72.553%0.53438%0.375SS..Hα-helixtrans-59.5-42.9177.3-58.60000111.2K332 V333 C338 Q339 T340K332-T336 PolarHBondContact O-N 3.19Å; K332-T336 PolarHBondContact O-OG1 3.34Å; K332-T336 VanDerWaalsContact O-OG1 3.05Å; V333-T336 PolarHBondContact O-N 3.44Å; T336-C338 PolarHBondContact O-N 3.46Å; T336-Q339 PolarHBondContact O-N 3.12Å; T336-Q339 VanDerWaalsContact O-N 3.14Å; T336-T340 PolarHBondContact O-N 3.24Å; T336-T340 PolarHBondContact O-OG1 3.24Å
337K96.4Very high96Very high84 Ų8475.4 Ų75.437%0.36540%0.395SS..Hα-helixtrans-58.7-45176.7-76.8177.3162-168.20112.9E84 V333 L334 M335 Q339 T340 F341E84-K337 IonicContact OE1-NZ 3.23Å; E84-K337 PolarHBondContact OE1-NZ 3.39Å; E84-K337 WeakPolarHBondContact OE2-CE 3.3Å; E84-K337 IonicContact OE2-NZ 2.99Å; E84-K337 PolarHBondContact OE2-NZ 3.18Å; V333-K337 WeakPolarHBondContact O-CG 3.36Å; V333-K337 PolarHBondContact O-N 3.16Å; V333-K337 VanDerWaalsContact O-N 3.09Å; L334-K337 PolarHBondContact O-N 2.62Å; M335-K337 VanDerWaalsContact C-N 3.32Å; M335-K337 PolarHBondContact O-N 3.48Å; K337-Q339 VanDerWaalsContact C-N 3.33Å; K337-T340 PolarHBondContact O-N 2.95Å; K337-F341 WeakPolarHBondContact O-CD2 3.49Å; K337-F341 PolarHBondContact O-N 2.99Å
338C96.6Very high95.5Very high75 Ų7578.9 Ų78.951%0.50742%0.416SS..Hα-helixtrans-62.8-42.6175.5-660000111.2L334 M335 T336 T340 F341 L342L334-C338 PolarHBondContact O-N 3.35Å; M335-C338 PolarHBondContact O-N 3.31Å; T336-C338 PolarHBondContact O-N 3.46Å; C338-T340 PolarHBondContact O-N 3.45Å; C338-F341 PolarHBondContact O-N 2.96Å; C338-L342 WeakPolarHBondContact O-CG 3.49Å; C338-L342 PolarHBondContact O-N 3.42Å
339Q96.6Very high94.5Very high96 Ų9681.6 Ų81.645%0.44943%0.428SS..Hα-helixtrans-64.1-39.2179.4-17062.542.400112.7M335 T336 K337 F341 L342 N343M335-Q339 PolarHBondContact O-N 3.21Å; T336-Q339 PolarHBondContact O-N 3.12Å; T336-Q339 VanDerWaalsContact O-N 3.14Å; K337-Q339 VanDerWaalsContact C-N 3.33Å; Q339-F341 PolarHBondContact O-N 3.49Å; Q339-L342 PolarHBondContact O-N 3.32Å; Q339-N343 PolarHBondContact NE2-OD1 3.08Å; Q339-N343 PolarHBondContact O-N 2.99Å; Q339-N343 PolarHBondContact O-ND2 3.32Å; Q339-N343 PolarHBondContact O-OD1 3.12Å
340T95.9Very high92.8Very high60 Ų6087.9 Ų87.937%0.36846%0.459SS..Hα-helixtrans-56.5-52.1177.7-59.40000111.2T336 K337 C338 L342 N343 E344T336-T340 PolarHBondContact O-N 3.24Å; T336-T340 PolarHBondContact O-OG1 3.24Å; K337-T340 PolarHBondContact O-N 2.95Å; C338-T340 PolarHBondContact O-N 3.45Å; T340-L342 VanDerWaalsContact C-N 3.35Å; T340-L342 PolarHBondContact O-N 3.36Å; T340-N343 WeakPolarHBondContact O-CB 3.42Å; T340-N343 PolarHBondContact O-N 3.38Å; T340-E344 WeakPolarHBondContact O-CG 3.47Å; T340-E344 PolarHBondContact O-N 3.42Å
341F95.4Very high90.6Very high130 Ų13098.8 Ų98.857%0.5751%0.51SS*.Hα-helixtrans-67.3-34-179.5-68.6-63.9000113.1K337 C338 Q339 N343 E344 M345K337-F341 WeakPolarHBondContact O-CD2 3.49Å; K337-F341 PolarHBondContact O-N 2.99Å; C338-F341 PolarHBondContact O-N 2.96Å; Q339-F341 PolarHBondContact O-N 3.49Å; F341-N343 VanDerWaalsContact C-N 3.32Å; F341-E344 WeakPolarHBondContact CD1-OE2 3.26Å; F341-E344 PolarHBondContact O-N 3.14Å; F341-M345 WeakPolarHBondContact O-CG 3.34Å; F341-M345 PolarHBondContact O-N 3.36Å
342L95.8Very high90.3Very high89 Ų89100.3 Ų100.347%0.46652%0.518SS..Hα-helixtrans-62.6-41.5173.1-72.6173000111.5C338 Q339 T340 N346C338-L342 WeakPolarHBondContact O-CG 3.49Å; C338-L342 PolarHBondContact O-N 3.42Å; Q339-L342 PolarHBondContact O-N 3.32Å; T340-L342 VanDerWaalsContact C-N 3.35Å; T340-L342 PolarHBondContact O-N 3.36Å; L342-N346 PolarHBondContact O-N 2.65Å; L342-N346 VanDerWaalsContact O-N 3.08Å; L342-N346 PolarHBondContact O-ND2 3.39Å; L342-N346 VanDerWaalsContact O-ND2 3.12Å
343N95.2Very high89.9Confident86 Ų86100.6 Ų100.646%0.4652%0.524SS..Hα-helixtrans-66.3-41.5177.3-67-13.8000111.6Q339 T340 F341 N346 S347Q339-N343 PolarHBondContact NE2-OD1 3.08Å; Q339-N343 PolarHBondContact O-N 2.99Å; Q339-N343 PolarHBondContact O-ND2 3.32Å; Q339-N343 PolarHBondContact O-OD1 3.12Å; T340-N343 WeakPolarHBondContact O-CB 3.42Å; T340-N343 PolarHBondContact O-N 3.38Å; F341-N343 VanDerWaalsContact C-N 3.32Å; N343-N346 PolarHBondContact O-N 3.22Å; N343-S347 PolarHBondContact O-N 3.11Å
344E95.6Very high89.5Confident99 Ų99104.4 Ų104.446%0.46354%0.542SS..Hα-helixtrans-62-46175.9-72.7174.4-172.500111.6T340 F341 N346 S347 V348T340-E344 WeakPolarHBondContact O-CG 3.47Å; T340-E344 PolarHBondContact O-N 3.42Å; F341-E344 WeakPolarHBondContact CD1-OE2 3.26Å; F341-E344 PolarHBondContact O-N 3.14Å; E344-N346 VanDerWaalsContact C-N 3.35Å; E344-N346 PolarHBondContact O-N 3.25Å; E344-S347 PolarHBondContact O-N 3.33Å; E344-S347 VanDerWaalsContact O-N 3.12Å; E344-S347 PolarHBondContact O-OG 3.44Å; E344-V348 WeakPolarHBondContact O-CG2 3.4Å; E344-V348 PolarHBondContact O-N 3.1Å; E344-V348 VanDerWaalsContact O-N 3.11Å
345M93.8Very high89.1Confident118 Ų118107.3 Ų107.358%0.58156%0.557SS**Hα-helixtrans-58.4-46.3175.7-74.3178.654.300112F341 S347 V348 D349F341-M345 WeakPolarHBondContact O-CG 3.34Å; F341-M345 PolarHBondContact O-N 3.36Å; M345-S347 PolarHBondContact O-N 3.28Å; M345-V348 PolarHBondContact O-N 3.14Å; M345-D349 PolarHBondContact O-N 2.97Å; M345-D349 VanDerWaalsContact O-N 3.14Å
346N93.3Very high88.5Confident95 Ų95106.1 Ų106.151%0.50855%0.553SS.*Hα-helixtrans-64.3-29.7177.8-68.4-28.8000112.7L342 N343 E344 M350L342-N346 PolarHBondContact O-N 2.65Å; L342-N346 VanDerWaalsContact O-N 3.08Å; L342-N346 PolarHBondContact O-ND2 3.39Å; L342-N346 VanDerWaalsContact O-ND2 3.12Å; N343-N346 PolarHBondContact O-N 3.22Å; E344-N346 VanDerWaalsContact C-N 3.35Å; E344-N346 PolarHBondContact O-N 3.25Å; N346-M350 WeakPolarHBondContact O-CG 3.46Å
347S91.4Very high88Confident61 Ų61107.4 Ų107.443%0.42755%0.554SS.*Hα-helixtrans-71.7-36.3176.469.60000112.5N343 E344 M345 M350N343-S347 PolarHBondContact O-N 3.11Å; E344-S347 PolarHBondContact O-N 3.33Å; E344-S347 VanDerWaalsContact O-N 3.12Å; E344-S347 PolarHBondContact O-OG 3.44Å; M345-S347 PolarHBondContact O-N 3.28Å; S347-M350 PolarHBondContact O-N 2.89Å
348V87.3Confident87.4Confident96 Ų96109.1 Ų109.158%0.58257%0.568SS**Hα-helixtrans-69.6-38.1177.2175.50000111.3E344 M345 M350 E351E344-V348 WeakPolarHBondContact O-CG2 3.4Å; E344-V348 PolarHBondContact O-N 3.1Å; E344-V348 VanDerWaalsContact O-N 3.11Å; M345-V348 PolarHBondContact O-N 3.14Å; V348-M350 PolarHBondContact O-N 3.08Å; V348-E351 PolarHBondContact O-N 3.26Å
349D74.8Confident86.7Confident127 Ų127111.7 Ų111.768%0.67957%0.572SS**THydrogen-bonded Turntrans-72.4-10.2178.7-70.3-25.7000113.6M345M345-D349 PolarHBondContact O-N 2.97Å; M345-D349 VanDerWaalsContact O-N 3.14Å
350M61.3Low85.8Confident165 Ų165113 Ų11381%0.81358%0.583SS**THydrogen-bonded Turntrans-94.5-10.1175.6-73.9-163.1-57.900114N346 S347 V348N346-M350 WeakPolarHBondContact O-CG 3.46Å; S347-M350 PolarHBondContact O-N 2.89Å; V348-M350 PolarHBondContact O-N 3.08Å
351E50.5Low84.9Confident230 Ų230117.8 Ų117.8100%1.07560%0.602SS**  trans-94.60168.5-70.5-173.1165.900110.8V348V348-E351 PolarHBondContact O-N 3.26Å

Retrieved 351 of 351 residues in 59.3 ms (Link to these results)

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