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Actin-related protein 3

ATP-binding component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. Seems to contact the pointed end of the daughter actin filament. In podocytes, required for the formation of lamellipodia downstream of AVIL and PLCE1 regulation. In addition to its role in the cytoplasmic cytoskeleton, the Arp2/3 complex also promotes actin polymerization in the nucleus, thereby regulating gene transcription and repair of damaged DNA. The Arp2/3 complex promotes homologous recombination (HR) repair in response to DNA damage by promoting nuclear actin polymerization, leading to drive motility of double-strand breaks (DSBs). Plays a role in ciliogenesis.

AlphaFold DB , UniProt , Accession Q5R8R1, Species PONAB (Pongo abelii, Sumatran orangutan), Gene ACTR3, Length 418 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
1M44.5Very low83.2Confident199 Ų19960.8 Ų60.898%0.9837%0.368SS*.  037.50-63.6173.9-159.300111.7G3 P388M1-G3 PolarHBondContact O-N 3.3Å; M1-P388 HydrophobicContact CE-CB 3.91Å; M1-P388 HydrophobicContact CE-CG 4.32Å
2A42.9Very low84.3Confident113 Ų11357.2 Ų57.293%0.93435%0.347SS*.THydrogen-bonded Turntrans-74115.8167.100000107.2
3G67.1Low85.1Confident79 Ų7954 Ų5481%0.81433%0.333SS*.THydrogen-bonded Turntrans115.36.6166.400000118.7M1M1-G3 PolarHBondContact O-N 3.3Å
4R80Confident85.8Confident142 Ų14251.3 Ų51.354%0.53632%0.316SS..PPolyproline II helixtrans-92.9126.9172.1-169.2173.3-73.7174.8-8.5110.3Y391R4-Y391 HydrophobicContact CG-CE1 4.24Å; R4-Y391 VanDerWaalsContact NH1-CD1 3.28Å
5L93.7Very high86.3Confident76 Ų7648.1 Ų48.140%0.39830%0.297SS..PPolyproline II helixtrans-69153.7176.7-64.9-175.9000111.3D107 H108L5-D107 HydrophobicContact CD1-CB 3.73Å; L5-H108 VanDerWaalsContact CD1-NE2 3.32Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.35Å
6P95.9Very high87Confident58 Ų5848.9 Ų48.938%0.37729%0.294SS..PPolyproline II helixtrans-62.8142.9178.827.2-35.6000110.9Y21 H108P6-Y21 HydrophobicContact CB-CD1 4.44Å; P6-Y21 HydrophobicContact CG-CD1 3.95Å; P6-Y21 HydrophobicContact CG-CG 4.19Å; P6-H108 PolarHBondContact O-ND1 2.9Å
7A97.8Very high87.6Confident0 Ų046 Ų460%028%0.276CS..PPolyproline II helixtrans-65.8147.4177.400000111.8Y21 A22 Y109 A385 F390A7-Y21 WeakPolarHBondContact O-CA 3.43Å; A7-A22 HydrophobicContact CB-CB 4.2Å; A7-A22 WeakPolarHBondContact O-CB 3.19Å; A7-A22 PolarHBondContact O-N 3.04Å; A7-Y109 CarbonylContact C-O 3.38Å; A7-Y109 VanDerWaalsContact CA-O 3.22Å; A7-Y109 WeakPolarHBondContact CA-O 3.38Å; A7-Y109 WeakPolarHBondContact CB-O 3.4Å; A7-A385 HydrophobicContact CB-CB 3.9Å; A7-F390 HydrophobicContact CB-CD1 4.4Å; A7-F390 HydrophobicContact CB-CE1 3.58Å; A7-F390 HydrophobicContact CB-CZ 4.06Å
8C98.5Very high88.2Confident0 Ų044.9 Ų44.90%027%0.268CS..EExtended strand (participates in β ladder)trans-85.4130.9172.6-67.10000109.7Y21 L101 Y109 F110 L111C8-Y21 WeakPolarHBondContact SG-CE1 3.42Å; C8-L101 HydrophobicContact CB-CD1 4.04Å; C8-Y109 PolarHBondContact N-O 3.37Å; C8-F110 HydrophobicContact CB-CD1 3.48Å; C8-F110 VanDerWaalsContact CB-CD1 3.48Å; C8-F110 HydrophobicContact CB-CD2 4.36Å; C8-F110 HydrophobicContact CB-CE1 3.37Å; C8-F110 HydrophobicContact CB-CE2 4.27Å; C8-F110 HydrophobicContact CB-CG 3.99Å; C8-F110 HydrophobicContact CB-CZ 3.81Å; C8-F110 WeakPolarHBondContact O-CA 3.41Å; C8-L111 PolarHBondContact O-N 3.18Å
9V98.6Very high88.7Confident0 Ų042.6 Ų42.60%025%0.253CS..EExtended strand (participates in β ladder)trans-113120177.6-176.80000109.2G20 A22 L111 W378 A385V9-G20 PolarHBondContact N-O 3.3Å; V9-G20 PolarHBondContact O-N 3.43Å; V9-G20 VanDerWaalsContact O-N 3.16Å; V9-A22 HydrophobicContact CG2-CB 4.2Å; V9-L111 WeakPolarHBondContact CA-O 3.48Å; V9-L111 HydrophobicContact CG1-CD2 4.11Å; V9-L111 HydrophobicContact CG2-CB 4.4Å; V9-W378 HydrophobicContact CB-CZ2 4.35Å; V9-W378 HydrophobicContact CG1-CD2 4.47Å; V9-W378 HydrophobicContact CG1-CG 4.17Å; V9-W378 PolarHBondContact O-NE1 3.42Å; V9-A385 HydrophobicContact CG2-CB 4.11Å
10V98.5Very high89.2Confident0 Ų040.5 Ų40.50%024%0.241CC..EExtended strand (participates in β ladder)trans-126106-175.4179.40000109.3C12 T17 L19 M93 V96 L101 F110 L111 L112 T113V10-C12 VanDerWaalsContact CG1-SG 3.58Å; V10-T17 HydrophobicContact CG1-CG2 4.28Å; V10-L19 HydrophobicContact CB-CD2 4.2Å; V10-L19 HydrophobicContact CG1-CD2 3.69Å; V10-L19 HydrophobicContact CG2-CD2 3.99Å; V10-M93 HydrophobicContact CG1-CE 4.18Å; V10-M93 HydrophobicContact CG1-SD 4.15Å; V10-M93 HydrophobicContact CG2-CE 4.46Å; V10-V96 HydrophobicContact CG1-CG1 4.48Å; V10-V96 HydrophobicContact CG2-CG1 4.29Å; V10-L101 HydrophobicContact CG2-CD1 4.23Å; V10-F110 HydrophobicContact CG2-CD1 4.39Å; V10-L111 PolarHBondContact N-O 2.91Å; V10-L112 HydrophobicContact CB-CG 4.26Å; V10-L112 HydrophobicContact CG1-CD2 4.48Å; V10-L112 WeakPolarHBondContact O-CA 3.25Å; V10-T113 PolarHBondContact O-N 2.69Å
11D97.9Very high89.6Confident2 Ų240.2 Ų40.21%0.01124%0.236CC..EExtended strand (participates in β ladder)trans-103.198.5176.2168.828.3000109.8T17 K18 T113 Q144 V377 W378D11-T17 CarbonylContact O-C 3.56Å; D11-T17 VanDerWaalsContact O-CA 3.29Å; D11-T17 WeakPolarHBondContact O-CA 3.01Å; D11-K18 HydrophobicContact CB-CB 4.26Å; D11-K18 PolarHBondContact N-O 3.21Å; D11-K18 PolarHBondContact O-N 3.18Å; D11-K18 WeakPolarHBondContact OD2-CD 3.49Å; D11-K18 IonicContact OD2-NZ 2.65Å; D11-K18 PolarHBondContact OD2-NZ 3.38Å; D11-T113 WeakPolarHBondContact CA-OG1 3.36Å; D11-T113 HydrophobicContact CB-CG2 3.88Å; D11-T113 PolarHBondContact OD1-OG1 3.48Å; D11-T113 VanDerWaalsContact OD1-OG1 3.08Å; D11-Q144 PolarHBondContact OD1-NE2 2.9Å; D11-V377 HydrophobicContact CB-CG1 4.31Å; D11-W378 HydrophobicContact CB-CB 3.98Å; D11-W378 HydrophobicContact CB-CG 4.49Å
12C96.6Very high92.1Very high17 Ų1731.3 Ų31.312%0.11519%0.194CC..EExtended strand (participates in β ladder)trans-88.7105.8-179.2-710000110.9V10 I78 M89V10-C12 VanDerWaalsContact CG1-SG 3.58Å; C12-I78 HydrophobicContact CB-CD1 3.71Å; C12-M89 HydrophobicContact CB-CE 4.48Å
13G94.7Very high94.6Very high16 Ų1628.5 Ų28.517%0.16518%0.176CC..  trans-99173.1171.300000112.7Y16 S33G13-Y16 WeakPolarHBondContact CA-O 3.42Å; G13-Y16 PolarHBondContact N-O 3.03Å; G13-S33 VanDerWaalsContact O-CB 3.23Å; G13-S33 WeakPolarHBondContact O-CB 3.3Å; G13-S33 PolarHBondContact O-OG 3.35Å
14T94.6Very high95.9Very high16 Ų1628.1 Ų28.110%0.09816%0.155CC..SBendtrans-65.6-39.9175.3-63.90000113.6H80 G81T14-H80 PolarHBondContact OG1-N 3.31Å; T14-G81 PolarHBondContact OG1-N 3.44Å
15G93.9Very high96.5Very high3 Ų325.8 Ų25.83%0.03116%0.157CC..SBendtrans-96.5-33.5-178.600000113.4P32 S33G15-P32 WeakPolarHBondContact O-CA 3.36Å; G15-S33 PolarHBondContact O-N 3.02Å; G15-S33 VanDerWaalsContact O-N 3.08Å
16Y96.5Very high96.6Very high61 Ų6127.9 Ų27.924%0.23917%0.165CC..EExtended strand (participates in β ladder)trans-146.8137.8-170.9-67.9-85.1000112.1G13 I30 I31 P32 S33 K225G13-Y16 WeakPolarHBondContact CA-O 3.42Å; G13-Y16 PolarHBondContact N-O 3.03Å; Y16-I30 HydrophobicContact CD1-CG2 3.97Å; Y16-I30 HydrophobicContact CG-CG2 4.32Å; Y16-I31 CarbonylContact C-O 3.57Å; Y16-I31 VanDerWaalsContact CA-O 3.23Å; Y16-I31 WeakPolarHBondContact CA-O 3.47Å; Y16-P32 HydrophobicContact CE1-CG 4.38Å; Y16-S33 VanDerWaalsContact CA-OG 3.23Å; Y16-S33 WeakPolarHBondContact CA-OG 3.3Å; Y16-S33 PolarHBondContact N-OG 3.25Å; Y16-S33 PolarHBondContact O-OG 3.12Å; Y16-K225 WeakPolarHBondContact OH-CE 3.01Å; Y16-K225 PolarHBondContact OH-NZ 3.14Å
17T97.9Very high96.7Very high0 Ų025.8 Ų25.80%015%0.151CC..EExtended strand (participates in β ladder)trans-104.7133.1172.2-59.90000109V10 D11 L19 I30 I31 S33 F92V10-T17 HydrophobicContact CG1-CG2 4.28Å; D11-T17 CarbonylContact O-C 3.56Å; D11-T17 VanDerWaalsContact O-CA 3.29Å; D11-T17 WeakPolarHBondContact O-CA 3.01Å; T17-L19 HydrophobicContact CG2-CD2 3.47Å; T17-L19 VanDerWaalsContact CG2-CD2 3.47Å; T17-L19 HydrophobicContact CG2-CG 4.03Å; T17-I30 WeakPolarHBondContact O-CA 3.44Å; T17-I31 PolarHBondContact N-O 3.33Å; T17-I31 PolarHBondContact O-N 3.35Å; T17-S33 PolarHBondContact N-OG 3.37Å; T17-S33 PolarHBondContact OG1-OG 2.69Å; T17-F92 HydrophobicContact CG2-CE1 4.06Å; T17-F92 HydrophobicContact CG2-CZ 4.41Å; T17-F92 WeakPolarHBondContact OG1-CZ 3.49Å
18K98.2Very high96.6Very high27 Ų2730 Ų3012%0.11717%0.171CC..EExtended strand (participates in β ladder)trans-114.2129.3-178.6-47.6175.4-158.368.20108.7D11 P27 F29 I30 R374 W378D11-K18 HydrophobicContact CB-CB 4.26Å; D11-K18 PolarHBondContact N-O 3.21Å; D11-K18 PolarHBondContact O-N 3.18Å; D11-K18 WeakPolarHBondContact OD2-CD 3.49Å; D11-K18 IonicContact OD2-NZ 2.65Å; D11-K18 PolarHBondContact OD2-NZ 3.38Å; K18-P27 HydrophobicContact CB-CB 4.04Å; K18-P27 HydrophobicContact CB-CG 4.26Å; K18-F29 WeakPolarHBondContact CA-O 3.44Å; K18-I30 HydrophobicContact CG-CG1 4.23Å; K18-I30 HydrophobicContact CG-CG2 4.32Å; K18-R374 VanDerWaalsContact CE-O 3.22Å; K18-R374 WeakPolarHBondContact CE-O 3.31Å; K18-W378 HydrophobicContact CB-CB 4.09Å; K18-W378 HydrophobicContact CB-CG 4.03Å; K18-W378 HydrophobicContact CD-CB 4.27Å; K18-W378 VanDerWaalsContact O-CD1 3.23Å
19L98.2Very high96.6Very high0 Ų033.3 Ų33.30%019%0.185CC..EExtended strand (participates in β ladder)trans-133.2140.5-165.6-52.7172.3000110.2V10 T17 P27 Q28 F29 I31 V96 Y100 L101V10-L19 HydrophobicContact CB-CD2 4.2Å; V10-L19 HydrophobicContact CG1-CD2 3.69Å; V10-L19 HydrophobicContact CG2-CD2 3.99Å; T17-L19 HydrophobicContact CG2-CD2 3.47Å; T17-L19 VanDerWaalsContact CG2-CD2 3.47Å; T17-L19 HydrophobicContact CG2-CG 4.03Å; L19-P27 CarbonylContact O-C 3.18Å; L19-P27 WeakPolarHBondContact O-CB 3.49Å; L19-Q28 PolarHBondContact O-N 3.32Å; L19-F29 HydrophobicContact CB-CB 4.22Å; L19-F29 HydrophobicContact CB-CD2 4.46Å; L19-F29 HydrophobicContact CD1-CB 4.3Å; L19-F29 PolarHBondContact N-O 2.99Å; L19-F29 PolarHBondContact O-N 2.63Å; L19-I31 HydrophobicContact CD1-CD1 3.99Å; L19-I31 HydrophobicContact CD1-CG1 4.36Å; L19-V96 HydrophobicContact CD1-CB 4.34Å; L19-V96 HydrophobicContact CD1-CG1 3.91Å; L19-V96 HydrophobicContact CD1-CG2 3.97Å; L19-V96 HydrophobicContact CD2-CB 4.45Å; L19-V96 HydrophobicContact CD2-CG1 3.42Å; L19-V96 VanDerWaalsContact CD2-CG1 3.42Å; L19-V96 HydrophobicContact CD2-CG2 4.2Å; L19-V96 HydrophobicContact CG-CG1 4.27Å; L19-Y100 HydrophobicContact CD1-CG 4.21Å; L19-L101 HydrophobicContact CB-CD2 4.13Å
20G98.3Very high96.6Very high0 Ų035.6 Ų35.60%020%0.197CC..EExtended strand (participates in β ladder)trans167.8-177.516400000112.6V9V9-G20 PolarHBondContact N-O 3.3Å; V9-G20 PolarHBondContact O-N 3.43Å; V9-G20 VanDerWaalsContact O-N 3.16Å
21Y98.2Very high96.5Very high36 Ų3635.8 Ų35.814%0.14120%0.198CC..EExtended strand (participates in β ladder)trans-85.3145.6177.1-62.6-76.2000112.9P6 A7 C8 N24 L101 H108P6-Y21 HydrophobicContact CB-CD1 4.44Å; P6-Y21 HydrophobicContact CG-CD1 3.95Å; P6-Y21 HydrophobicContact CG-CG 4.19Å; A7-Y21 WeakPolarHBondContact O-CA 3.43Å; C8-Y21 WeakPolarHBondContact SG-CE1 3.42Å; Y21-N24 PolarHBondContact O-ND2 3.5Å; Y21-L101 PolarHBondContact OH-O 3.21Å; Y21-H108 AromaticContact CE1-CE1 3.42Å; Y21-H108 VanDerWaalsContact CE1-CE1 3.42Å; Y21-H108 WeakPolarHBondContact CE1-CE1 3.31Å; Y21-H108 AromaticContact CE1-ND1 3.68Å
22A97.1Very high96.4Very high12 Ų1236 Ų3610%0.09920%0.199CC..THydrogen-bonded Turntrans-55.8144.7170.400000111.4A7 V9 A385A7-A22 HydrophobicContact CB-CB 4.2Å; A7-A22 WeakPolarHBondContact O-CB 3.19Å; A7-A22 PolarHBondContact O-N 3.04Å; V9-A22 HydrophobicContact CG2-CB 4.2Å; A22-A385 HydrophobicContact CB-CB 3.7Å
23G93.8Very high96.5Very high54 Ų5435.2 Ų35.256%0.55719%0.194SC*.THydrogen-bonded Turntrans98.1-17.2-178.800000113.2S382 S386G23-S382 PolarHBondContact N-OG 3.27Å; G23-S386 WeakPolarHBondContact CA-OG 3.46Å; G23-S386 PolarHBondContact N-OG 3.3Å
24N95.3Very high96.6Very high71 Ų7134.4 Ų34.438%0.3819%0.186SC..  trans-80.3148171.8-66.1-49.4000111Y21 W378 S382Y21-N24 PolarHBondContact O-ND2 3.5Å; N24-W378 HydrophobicContact CB-CH2 3.99Å; N24-S382 PolarHBondContact N-OG 3.25Å; N24-S382 PolarHBondContact O-OG 2.94Å
25T92.6Very high96.6Very high92 Ų9233.7 Ų33.756%0.56418%0.181SC*.SBendtrans-83.6-17.9177.552.30000113.5Y375 F379T25-Y375 WeakPolarHBondContact O-CE2 3.45Å; T25-F379 HydrophobicContact CG2-CE2 4.21Å; T25-F379 VanDerWaalsContact O-CD2 3.26Å; T25-F379 WeakPolarHBondContact O-CD2 3.33Å
26E95.1Very high96.7Very high120 Ų12033.5 Ų33.556%0.56118%0.18SC*.SBendtrans-136.7151.117863.5-176.4-176.400110.6Y375 W378E26-Y375 HydrophobicContact CB-CE2 4.11Å; E26-W378 VanDerWaalsContact C-CH2 3.5Å; E26-W378 VanDerWaalsContact O-CH2 3.22Å; E26-W378 WeakPolarHBondContact O-CH2 3.3Å; E26-W378 WeakPolarHBondContact O-CZ3 3.42Å
27P97.4Very high96.4Very high14 Ų1431.9 Ų31.99%0.09118%0.175CC..  trans-63.5141.4175.526.9-34.5000110K18 L19 F29 I30 Y375 W378K18-P27 HydrophobicContact CB-CB 4.04Å; K18-P27 HydrophobicContact CB-CG 4.26Å; L19-P27 CarbonylContact O-C 3.18Å; L19-P27 WeakPolarHBondContact O-CB 3.49Å; P27-F29 VanDerWaalsContact C-N 3.26Å; P27-F29 PolarHBondContact O-N 3.12Å; P27-I30 HydrophobicContact CB-CG1 4.29Å; P27-I30 HydrophobicContact CG-CD1 3.79Å; P27-I30 HydrophobicContact CG-CG1 3.62Å; P27-Y375 HydrophobicContact CG-CD1 4.47Å; P27-Y375 HydrophobicContact CG-CG 4.22Å; P27-W378 HydrophobicContact CB-CD2 3.72Å; P27-W378 HydrophobicContact CB-CE3 4.05Å; P27-W378 HydrophobicContact CB-CG 4.13Å; P27-W378 HydrophobicContact CB-CZ2 4.25Å; P27-W378 HydrophobicContact CB-CZ3 4.46Å; P27-W378 HydrophobicContact CG-CD2 4.36Å; P27-W378 HydrophobicContact CG-CE3 4.36Å; P27-W378 VanDerWaalsContact N-CZ3 3.29Å
28Q97.6Very high95.7Very high89 Ų8936.8 Ų36.842%0.41620%0.196SC..SBendtrans-67.6-31.7174.2-70.6169.4-87.900111.7L19L19-Q28 PolarHBondContact O-N 3.32Å
29F98.2Very high94.4Very high69 Ų6942.3 Ų42.330%0.30322%0.222SC..EExtended strand (participates in β ladder)trans-137140.5178.3-52-84000111K18 L19 P27 I31 Y100K18-F29 WeakPolarHBondContact CA-O 3.44Å; L19-F29 HydrophobicContact CB-CB 4.22Å; L19-F29 HydrophobicContact CB-CD2 4.46Å; L19-F29 HydrophobicContact CD1-CB 4.3Å; L19-F29 PolarHBondContact N-O 2.99Å; L19-F29 PolarHBondContact O-N 2.63Å; P27-F29 VanDerWaalsContact C-N 3.26Å; P27-F29 PolarHBondContact O-N 3.12Å; F29-I31 HydrophobicContact CB-CG2 4.36Å; F29-Y100 HydrophobicContact CB-CD1 4.2Å; F29-Y100 AromaticContact CD1-CD1 3.76Å; F29-Y100 HydrophobicContact CD1-CD1 3.76Å; F29-Y100 HydrophobicContact CD1-CE1 4.39Å; F29-Y100 HydrophobicContact CD2-CD1 4.32Å; F29-Y100 HydrophobicContact CE1-CD1 4.2Å; F29-Y100 WeakPolarHBondContact CE2-O 3.37Å; F29-Y100 AromaticContact CG-CD1 3.83Å; F29-Y100 HydrophobicContact CG-CD1 3.83Å; F29-Y100 WeakPolarHBondContact CZ-O 3.32Å
30I97.2Very high92.5Very high49 Ų4945.7 Ų45.725%0.25125%0.246SC..EExtended strand (participates in β ladder)trans-127107.6166.4-57.3177.8000105.8Y16 T17 K18 P27Y16-I30 HydrophobicContact CD1-CG2 3.97Å; Y16-I30 HydrophobicContact CG-CG2 4.32Å; T17-I30 WeakPolarHBondContact O-CA 3.44Å; K18-I30 HydrophobicContact CG-CG1 4.23Å; K18-I30 HydrophobicContact CG-CG2 4.32Å; P27-I30 HydrophobicContact CB-CG1 4.29Å; P27-I30 HydrophobicContact CG-CD1 3.79Å; P27-I30 HydrophobicContact CG-CG1 3.62Å
31I97.5Very high90.3Very high4 Ų450.5 Ų50.52%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-119.9150.7-174.961.5173.6000110.8Y16 T17 L19 F29 S33 I62 F92 Y100Y16-I31 CarbonylContact C-O 3.57Å; Y16-I31 VanDerWaalsContact CA-O 3.23Å; Y16-I31 WeakPolarHBondContact CA-O 3.47Å; T17-I31 PolarHBondContact N-O 3.33Å; T17-I31 PolarHBondContact O-N 3.35Å; L19-I31 HydrophobicContact CD1-CD1 3.99Å; L19-I31 HydrophobicContact CD1-CG1 4.36Å; F29-I31 HydrophobicContact CB-CG2 4.36Å; I31-S33 PolarHBondContact O-N 2.94Å; I31-I62 HydrophobicContact CD1-CD1 3.76Å; I31-I62 HydrophobicContact CD1-CG1 4.41Å; I31-F92 HydrophobicContact CD1-CZ 4Å; I31-F92 HydrophobicContact CG1-CZ 4.44Å; I31-Y100 HydrophobicContact CD1-CD2 4.24Å; I31-Y100 HydrophobicContact CD1-CE1 4.36Å; I31-Y100 HydrophobicContact CD1-CE2 3.97Å; I31-Y100 HydrophobicContact CG2-CD1 4.19Å; I31-Y100 HydrophobicContact CG2-CE1 3.58Å
32P96.6Very high87.8Confident5 Ų557.1 Ų57.13%0.03232%0.315CS..EExtended strand (participates in β ladder)trans-53.3136.1168.1-26.233.9000112.2G15 Y16 C34 G63 D64 I67 W76G15-P32 WeakPolarHBondContact O-CA 3.36Å; Y16-P32 HydrophobicContact CE1-CG 4.38Å; P32-C34 PolarHBondContact O-N 2.84Å; P32-G63 WeakPolarHBondContact O-CA 3.42Å; P32-D64 VanDerWaalsContact CD-OD1 3.25Å; P32-D64 WeakPolarHBondContact CD-OD1 3.42Å; P32-D64 WeakPolarHBondContact CG-OD1 3.17Å; P32-I67 HydrophobicContact CB-CD1 3.84Å; P32-I67 HydrophobicContact CG-CD1 3.58Å; P32-W76 HydrophobicContact CB-CH2 4.17Å
33S97.4Very high85.3Confident1 Ų163.6 Ų63.61%0.00735%0.353CS..SBendtrans-81.348.5178.5-54.60000112.1G13 G15 Y16 T17 I31 W76 P77G13-S33 VanDerWaalsContact O-CB 3.23Å; G13-S33 WeakPolarHBondContact O-CB 3.3Å; G13-S33 PolarHBondContact O-OG 3.35Å; G15-S33 PolarHBondContact O-N 3.02Å; G15-S33 VanDerWaalsContact O-N 3.08Å; Y16-S33 VanDerWaalsContact CA-OG 3.23Å; Y16-S33 WeakPolarHBondContact CA-OG 3.3Å; Y16-S33 PolarHBondContact N-OG 3.25Å; Y16-S33 PolarHBondContact O-OG 3.12Å; T17-S33 PolarHBondContact N-OG 3.37Å; T17-S33 PolarHBondContact OG1-OG 2.69Å; I31-S33 PolarHBondContact O-N 2.94Å; S33-W76 VanDerWaalsContact O-CE3 3.26Å; S33-P77 WeakPolarHBondContact O-CD 3.11Å
34C96.6Very high83.3Confident0 Ų062.5 Ų62.50%034%0.343CS..  trans-124.5155.6-179.564.80000112.2P32 I62 G63 T74 K75 W76P32-C34 PolarHBondContact O-N 2.84Å; C34-I62 VanDerWaalsContact O-CA 3.31Å; C34-I62 WeakPolarHBondContact O-CA 3.42Å; C34-G63 PolarHBondContact O-N 3.12Å; C34-T74 HydrophobicContact CB-CG2 3.85Å; C34-K75 CarbonylContact C-O 3.46Å; C34-K75 VanDerWaalsContact CA-O 3.24Å; C34-K75 WeakPolarHBondContact CA-O 3.32Å; C34-K75 WeakPolarHBondContact CB-O 3.19Å; C34-W76 HydrophobicContact CB-CD2 3.71Å; C34-W76 HydrophobicContact CB-CE3 3.86Å; C34-W76 HydrophobicContact CB-CG 4.34Å; C34-W76 HydrophobicContact CB-CH2 3.88Å; C34-W76 HydrophobicContact CB-CZ2 3.74Å; C34-W76 HydrophobicContact CB-CZ3 3.93Å
35I96.2Very high81.3Confident0 Ų064.8 Ų64.80%036%0.355CS..EExtended strand (participates in β ladder)trans-128.8132.9177-174.2169.3000109.2I37 F60 F61 I62 K75 L88 R91I35-I37 HydrophobicContact CD1-CG2 4.13Å; I35-I37 HydrophobicContact CG1-CG2 3.94Å; I35-F60 HydrophobicContact CD1-CB 4.44Å; I35-F60 HydrophobicContact CD1-CD2 3.58Å; I35-F60 HydrophobicContact CD1-CE2 4.09Å; I35-F60 HydrophobicContact CD1-CG 4.2Å; I35-F60 HydrophobicContact CG1-CB 4.39Å; I35-F60 HydrophobicContact CG1-CD2 3.95Å; I35-F61 CarbonylContact C-O 3.5Å; I35-F61 VanDerWaalsContact CA-O 3.31Å; I35-F61 WeakPolarHBondContact CA-O 3.43Å; I35-I62 HydrophobicContact CB-CG2 4.16Å; I35-I62 HydrophobicContact CD1-CG2 4.28Å; I35-I62 HydrophobicContact CG1-CG2 3.95Å; I35-K75 HydrophobicContact CG2-CB 4.11Å; I35-K75 PolarHBondContact N-O 3.2Å; I35-K75 PolarHBondContact O-N 3.15Å; I35-L88 HydrophobicContact CD1-CD2 4.33Å; I35-L88 HydrophobicContact CG2-CB 4.19Å; I35-L88 HydrophobicContact CG2-CD1 4.13Å; I35-L88 HydrophobicContact CG2-CD2 4.13Å; I35-L88 HydrophobicContact CG2-CG 4.39Å; I35-R91 HydrophobicContact CD1-CB 3.72Å
36A94.9Very high79.6Confident0 Ų066.5 Ų66.50%036%0.356CS..EExtended strand (participates in β ladder)trans-104.4117.717500000109.1F60 F61 A66 K69 Y72 A73A36-F60 VanDerWaalsContact O-CA 3.31Å; A36-F60 WeakPolarHBondContact O-CA 3.11Å; A36-F60 WeakPolarHBondContact O-CB 3.47Å; A36-F61 HydrophobicContact CB-CB 4.46Å; A36-F61 PolarHBondContact N-O 2.98Å; A36-F61 PolarHBondContact O-N 2.92Å; A36-A66 HydrophobicContact CB-CB 3.6Å; A36-A66 WeakPolarHBondContact CB-O 3.4Å; A36-K69 HydrophobicContact CB-CB 4.47Å; A36-Y72 HydrophobicContact CB-CG 4.43Å; A36-A73 WeakPolarHBondContact CA-O 3.18Å
37I90.5Very high77.8Confident27 Ų2764.1 Ų64.114%0.13836%0.357CS..EExtended strand (participates in β ladder)trans-119.9151-179.664.3173000110.6I35 E39 F60 Y72 A73 K75 L88I35-I37 HydrophobicContact CD1-CG2 4.13Å; I35-I37 HydrophobicContact CG1-CG2 3.94Å; I37-E39 PolarHBondContact O-N 3.01Å; I37-F60 HydrophobicContact CG2-CB 4.02Å; I37-Y72 VanDerWaalsContact C-CD1 3.49Å; I37-A73 PolarHBondContact N-O 2.87Å; I37-A73 PolarHBondContact O-N 3.21Å; I37-K75 HydrophobicContact CD1-CD 3.82Å; I37-K75 HydrophobicContact CG1-CD 4.28Å; I37-L88 HydrophobicContact CD1-CD2 4.16Å; I37-L88 HydrophobicContact CG2-CD2 4.18Å
38K83.3Confident75.8Confident103 Ų10369.5 Ų69.545%0.44838%0.381SS..  trans-79.3119.8176.5-163.6175.8-175.3178.40109.9S40 D59 Y72K38-S40 PolarHBondContact O-N 2.63Å; K38-S40 VanDerWaalsContact O-N 3.15Å; K38-D59 IonicContact NZ-OD2 3.95Å; K38-Y72 HydrophobicContact CB-CD1 4.15Å; K38-Y72 HydrophobicContact CB-CE1 3.98Å
39E70.9Confident73.6Confident142 Ų14272 Ų7266%0.66439%0.387SS*.  trans-75.9103.9169.4-72.7-173.6167.600108.6I37 A41 A73I37-E39 PolarHBondContact O-N 3.01Å; E39-A41 PolarHBondContact O-N 2.89Å; E39-A73 HydrophobicContact CG-CB 3.7Å
40S58.7Low71.6Confident71 Ų7177.9 Ų77.950%0.49741%0.407SS..  trans-67.9102.5172.446.90000109.4K38 K42K38-S40 PolarHBondContact O-N 2.63Å; K38-S40 VanDerWaalsContact O-N 3.15Å; S40-K42 WeakPolarHBondContact O-CG 3.3Å; S40-K42 PolarHBondContact O-N 2.96Å
41A51.4Low69.6Low101 Ų10180.7 Ų80.784%0.83543%0.426SS*.  trans-65.497.1166.800000108.5E39 V43E39-A41 PolarHBondContact O-N 2.89Å; A41-V43 PolarHBondContact O-N 3.15Å
42K46.6Very low67.4Low175 Ų17585.6 Ų85.676%0.76145%0.45SS*.  trans-67.297.6-168.3-62.2178.5-177.1172.10112.4S40S40-K42 WeakPolarHBondContact O-CG 3.3Å; S40-K42 PolarHBondContact O-N 2.96Å
43V44Very low65.2Low148 Ų14892.2 Ų92.290%0.89748%0.479SS*.  trans-136.3107.7157.7-168.30000108.6A41A41-V43 PolarHBondContact O-N 3.15Å
44G51.3Low63.2Low32 Ų3294.1 Ų94.133%0.3350%0.498SS..SBendtrans167.1163.9179.400000114.3R49G44-R49 PolarHBondContact O-NE 3.26Å; G44-R49 PolarHBondContact O-NH2 3.16Å
45D54Low61.4Low119 Ų11998.7 Ų98.764%0.63653%0.526SS*.  trans-78.6153.6-174.5-160.41.7000113.2A47 Q48 R49D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 2.75Å; D45-Q48 PolarHBondContact O-N 2.99Å; D45-R49 WeakPolarHBondContact O-CG 3.28Å; D45-R49 PolarHBondContact O-N 2.8Å
46Q55.9Low59.8Low127 Ų127100.5 Ų100.559%0.59354%0.536SS*.Hα-helixtrans-57.7-34.5-167.8-74.1-169.418.700114.7R49 R50Q46-R49 WeakPolarHBondContact O-CB 3.27Å; Q46-R49 PolarHBondContact O-N 3.28Å; Q46-R50 PolarHBondContact O-N 3.35Å
47A56.9Low58.5Low71 Ų71103.5 Ų103.559%0.58755%0.552SS**Hα-helixtrans-70.7-42.4-179.800000111.8D45 R49 R50 V51D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 2.75Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 2.91Å; A47-R50 PolarHBondContact O-N 2.86Å; A47-V51 PolarHBondContact O-N 3Å
48Q56.7Low57.7Low127 Ų127108.2 Ų108.259%0.59358%0.577SS**Hα-helixtrans-63.5-36.7172.7-74.4178.9-19.100111D45 R50 M52D45-Q48 PolarHBondContact O-N 2.99Å; Q48-R50 VanDerWaalsContact C-N 3.34Å; Q48-R50 PolarHBondContact O-N 2.95Å; Q48-M52 VanDerWaalsContact O-CB 3.28Å; Q48-M52 WeakPolarHBondContact O-CB 3.42Å; Q48-M52 VanDerWaalsContact O-CG 3.27Å; Q48-M52 WeakPolarHBondContact O-CG 3.49Å; Q48-M52 PolarHBondContact O-N 3.38Å
49R51.2Low57.8Low141 Ų141105.3 Ų105.353%0.53257%0.566SS.*Hα-helixtrans-59-37.9174.9-65.4179.5-155.4-178.33.2113.2G44 D45 Q46 A47 K53G44-R49 PolarHBondContact O-NE 3.26Å; G44-R49 PolarHBondContact O-NH2 3.16Å; D45-R49 WeakPolarHBondContact O-CG 3.28Å; D45-R49 PolarHBondContact O-N 2.8Å; Q46-R49 WeakPolarHBondContact O-CB 3.27Å; Q46-R49 PolarHBondContact O-N 3.28Å; A47-R49 VanDerWaalsContact C-N 3.28Å; A47-R49 PolarHBondContact O-N 2.91Å; R49-K53 WeakPolarHBondContact O-CB 3.11Å; R49-K53 PolarHBondContact O-N 2.83Å
50R56.4Low58.9Low192 Ų19299 Ų9973%0.72554%0.536SS*.Hα-helixtrans-72.9-45.4-178.1-68.6-171.7-151.1-174.35.9112.8Q46 A47 Q48 K53 G54Q46-R50 PolarHBondContact O-N 3.35Å; A47-R50 PolarHBondContact O-N 2.86Å; Q48-R50 VanDerWaalsContact C-N 3.34Å; Q48-R50 PolarHBondContact O-N 2.95Å; R50-K53 PolarHBondContact O-N 3.09Å; R50-G54 PolarHBondContact O-N 3.32Å
51V55.3Low60.6Low108 Ų10897.6 Ų97.666%0.65552%0.521SS*.Hα-helixtrans-68.3-43.6179.6-1790000110.3A47 G54 V55A47-V51 PolarHBondContact O-N 3Å; V51-G54 PolarHBondContact O-N 3.13Å; V51-V55 PolarHBondContact O-N 3.19Å
52M50.4Low62.7Low107 Ų10792.8 Ų92.853%0.52748%0.482SS..Hα-helixtrans-66.8-36.3176.2-66.6-177.38400111.8Q48 G54 V55 D56Q48-M52 VanDerWaalsContact O-CB 3.28Å; Q48-M52 WeakPolarHBondContact O-CB 3.42Å; Q48-M52 VanDerWaalsContact O-CG 3.27Å; Q48-M52 WeakPolarHBondContact O-CG 3.49Å; Q48-M52 PolarHBondContact O-N 3.38Å; M52-G54 VanDerWaalsContact C-N 3.25Å; M52-G54 PolarHBondContact O-N 3.04Å; M52-V55 PolarHBondContact O-N 3.23Å; M52-V55 VanDerWaalsContact O-N 3.13Å; M52-D56 VanDerWaalsContact O-CB 3.27Å; M52-D56 WeakPolarHBondContact O-CB 3.44Å; M52-D56 VanDerWaalsContact O-CG 3.3Å; M52-D56 PolarHBondContact O-N 2.62Å
53K50.4Low65.1Low144 Ų14484.4 Ų84.463%0.62645%0.445SS*.Hα-helixtrans-57.8-38175.3-171.6-179.1-178-165.70112.1R49 R50 D57R49-K53 WeakPolarHBondContact O-CB 3.11Å; R49-K53 PolarHBondContact O-N 2.83Å; R50-K53 PolarHBondContact O-N 3.09Å; K53-D57 VanDerWaalsContact O-CB 3.23Å; K53-D57 WeakPolarHBondContact O-CB 3.32Å; K53-D57 PolarHBondContact O-N 3.1Å
54G56.4Low67.5Low41 Ų4181.3 Ų81.342%0.42342%0.424SS..Hα-helixtrans-69.4-35.5176.700000113.9R50 V51 M52R50-G54 PolarHBondContact O-N 3.32Å; V51-G54 PolarHBondContact O-N 3.13Å; M52-G54 VanDerWaalsContact C-N 3.25Å; M52-G54 PolarHBondContact O-N 3.04Å
55V58.7Low69.5Low97 Ų9783 Ų8359%0.58842%0.423SS*.Hα-helixtrans-77.7-43.9177179.50000111.3V51 M52 D57 L58 D59V51-V55 PolarHBondContact O-N 3.19Å; M52-V55 PolarHBondContact O-N 3.23Å; M52-V55 VanDerWaalsContact O-N 3.13Å; V55-D57 PolarHBondContact O-N 3.13Å; V55-L58 PolarHBondContact O-N 3.35Å; V55-D59 PolarHBondContact O-N 3.39Å
56D61.8Low71.4Confident37 Ų3777.4 Ų77.420%0.19839%0.393CS..Hα-helixtrans-63.9-27.7175.9-70.2-27000111.1M52 L58 D59M52-D56 VanDerWaalsContact O-CB 3.27Å; M52-D56 WeakPolarHBondContact O-CB 3.44Å; M52-D56 VanDerWaalsContact O-CG 3.3Å; M52-D56 PolarHBondContact O-N 2.62Å; D56-L58 VanDerWaalsContact C-N 3.27Å; D56-L58 PolarHBondContact O-N 3.09Å; D56-D59 PolarHBondContact O-N 2.83Å
57D68.1Low73Confident63 Ų6375.7 Ų75.734%0.33739%0.387SS..Hα-helixtrans-65.3-30.1175.4-110.14.7000113.4K53 V55 F60 R91K53-D57 VanDerWaalsContact O-CB 3.23Å; K53-D57 WeakPolarHBondContact O-CB 3.32Å; K53-D57 PolarHBondContact O-N 3.1Å; V55-D57 PolarHBondContact O-N 3.13Å; D57-F60 WeakPolarHBondContact O-CD1 3.35Å; D57-F60 WeakPolarHBondContact O-CE1 3.11Å; D57-R91 IonicContact OD1-CZ 2.75Å; D57-R91 IonicContact OD1-NH1 3.93Å; D57-R91 PolarHBondContact OD1-NH1 2.88Å; D57-R91 IonicContact OD1-NH2 3.92Å; D57-R91 PolarHBondContact OD1-NH2 2.97Å; D57-R91 IonicContact OD2-NH2 2.67Å
58L72.5Confident74.5Confident127 Ų12779.4 Ų79.467%0.66539%0.392SS*.Hα-helixtrans-90.7-10.6178.5-59.5174.9000112.4V55 D56 F60V55-L58 PolarHBondContact O-N 3.35Å; D56-L58 VanDerWaalsContact C-N 3.27Å; D56-L58 PolarHBondContact O-N 3.09Å; L58-F60 PolarHBondContact O-N 3.04Å
59D86.3Confident75.9Confident41 Ų4177 Ų7722%0.21938%0.38CS..  trans-93.373.3-178.1-171.917.3000110.6K38 V55 D56 Y72K38-D59 IonicContact NZ-OD2 3.95Å; V55-D59 PolarHBondContact O-N 3.39Å; D56-D59 PolarHBondContact O-N 2.83Å; D59-Y72 PolarHBondContact OD1-OH 3.22Å; D59-Y72 PolarHBondContact OD2-OH 3.44Å
60F93Very high76.9Confident9 Ų976.1 Ų76.14%0.03939%0.393CS..EExtended strand (participates in β ladder)trans-141.1158.8174.168.1-86.1000112.1I35 A36 I37 D57 L58 I62 R91 Q95I35-F60 HydrophobicContact CD1-CB 4.44Å; I35-F60 HydrophobicContact CD1-CD2 3.58Å; I35-F60 HydrophobicContact CD1-CE2 4.09Å; I35-F60 HydrophobicContact CD1-CG 4.2Å; I35-F60 HydrophobicContact CG1-CB 4.39Å; I35-F60 HydrophobicContact CG1-CD2 3.95Å; A36-F60 VanDerWaalsContact O-CA 3.31Å; A36-F60 WeakPolarHBondContact O-CA 3.11Å; A36-F60 WeakPolarHBondContact O-CB 3.47Å; I37-F60 HydrophobicContact CG2-CB 4.02Å; D57-F60 WeakPolarHBondContact O-CD1 3.35Å; D57-F60 WeakPolarHBondContact O-CE1 3.11Å; L58-F60 PolarHBondContact O-N 3.04Å; F60-I62 HydrophobicContact CD2-CG2 4.27Å; F60-I62 HydrophobicContact CE2-CG2 4.36Å; F60-R91 HydrophobicContact CD2-CB 4.39Å; F60-R91 HydrophobicContact CE1-CB 4.31Å; F60-R91 HydrophobicContact CE1-CG 4.41Å; F60-R91 HydrophobicContact CE2-CB 3.82Å; F60-R91 VanDerWaalsContact CE2-O 3.22Å; F60-R91 WeakPolarHBondContact CE2-O 3.49Å; F60-R91 HydrophobicContact CZ-CB 3.78Å; F60-R91 HydrophobicContact CZ-CG 4.31Å; F60-Q95 HydrophobicContact CD2-CG 4.25Å; F60-Q95 HydrophobicContact CE2-CG 3.41Å; F60-Q95 VanDerWaalsContact CE2-CG 3.41Å; F60-Q95 HydrophobicContact CZ-CG 3.93Å
61F95.1Very high78.3Confident42 Ų4272.7 Ų72.718%0.18439%0.393CS..EExtended strand (participates in β ladder)trans-128.3151.7178.7-57.9-87.8000109.7I35 A36 E65 A66 K69 Y72I35-F61 CarbonylContact C-O 3.5Å; I35-F61 VanDerWaalsContact CA-O 3.31Å; I35-F61 WeakPolarHBondContact CA-O 3.43Å; A36-F61 HydrophobicContact CB-CB 4.46Å; A36-F61 PolarHBondContact N-O 2.98Å; A36-F61 PolarHBondContact O-N 2.92Å; F61-E65 HydrophobicContact CB-CB 4.13Å; F61-E65 HydrophobicContact CD1-CB 4.28Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.48Å; F61-A66 HydrophobicContact CB-CB 4.48Å; F61-A66 WeakPolarHBondContact O-CB 3.45Å; F61-K69 HydrophobicContact CD2-CD 4.15Å; F61-K69 HydrophobicContact CD2-CG 3.9Å; F61-K69 HydrophobicContact CE2-CD 4.07Å; F61-K69 HydrophobicContact CE2-CG 4.33Å; F61-K69 HydrophobicContact CG-CG 4.18Å; F61-K69 HydrophobicContact CZ-CD 4.46Å; F61-Y72 HydrophobicContact CD2-CD1 4.38Å; F61-Y72 HydrophobicContact CD2-CE1 4.16Å; F61-Y72 AromaticContact CE2-CE1 3.94Å; F61-Y72 HydrophobicContact CE2-CE1 3.94Å; F61-Y72 HydrophobicContact CE2-CE2 4.21Å; F61-Y72 AromaticContact CE2-CZ 3.75Å
62I96.8Very high79.9Confident0 Ų069.4 Ų69.40%037%0.369CS..EExtended strand (participates in β ladder)trans-124.9165.3173.670.5160.6000111.2I31 C34 I35 F60 A66 F92 Q95 V96 Y100I31-I62 HydrophobicContact CD1-CD1 3.76Å; I31-I62 HydrophobicContact CD1-CG1 4.41Å; C34-I62 VanDerWaalsContact O-CA 3.31Å; C34-I62 WeakPolarHBondContact O-CA 3.42Å; I35-I62 HydrophobicContact CB-CG2 4.16Å; I35-I62 HydrophobicContact CD1-CG2 4.28Å; I35-I62 HydrophobicContact CG1-CG2 3.95Å; F60-I62 HydrophobicContact CD2-CG2 4.27Å; F60-I62 HydrophobicContact CE2-CG2 4.36Å; I62-A66 PolarHBondContact O-N 3.32Å; I62-F92 HydrophobicContact CB-CD2 3.79Å; I62-F92 HydrophobicContact CB-CE2 3.86Å; I62-F92 HydrophobicContact CD1-CD2 4.04Å; I62-F92 HydrophobicContact CD1-CE2 3.9Å; I62-F92 HydrophobicContact CD1-CG 4.44Å; I62-F92 HydrophobicContact CD1-CZ 4.18Å; I62-F92 HydrophobicContact CG1-CE2 4.45Å; I62-F92 HydrophobicContact CG2-CB 4.49Å; I62-F92 HydrophobicContact CG2-CD2 3.65Å; I62-F92 HydrophobicContact CG2-CE2 4.26Å; I62-F92 HydrophobicContact CG2-CG 4.35Å; I62-Q95 HydrophobicContact CD1-CB 3.48Å; I62-Q95 VanDerWaalsContact CD1-CB 3.48Å; I62-Q95 HydrophobicContact CG1-CB 3.67Å; I62-Q95 HydrophobicContact CG1-CG 4.38Å; I62-Q95 HydrophobicContact CG2-CB 4.23Å; I62-Q95 HydrophobicContact CG2-CG 4.35Å; I62-V96 HydrophobicContact CD1-CG2 3.96Å; I62-Y100 HydrophobicContact CD1-CD2 4.01Å; I62-Y100 HydrophobicContact CD1-CE2 3.64Å; I62-Y100 HydrophobicContact CG1-CD2 4.47Å; I62-Y100 HydrophobicContact CG1-CE2 3.65Å
63G96.4Very high81.8Confident0 Ų065.4 Ų65.40%035%0.353CS..THydrogen-bonded Turntrans67.2-141.8173.700000113P32 C34 E65 A66 I67P32-G63 WeakPolarHBondContact O-CA 3.42Å; C34-G63 PolarHBondContact O-N 3.12Å; G63-E65 VanDerWaalsContact C-N 3.27Å; G63-E65 PolarHBondContact O-N 3.31Å; G63-A66 VanDerWaalsContact O-CB 3.31Å; G63-A66 WeakPolarHBondContact O-CB 3.21Å; G63-A66 PolarHBondContact O-N 2.81Å; G63-I67 PolarHBondContact O-N 2.95Å
64D94.4Very high83.8Confident82 Ų8261.5 Ų61.544%0.43934%0.341SS..Hα-helixtrans-62.4-36.5-177.9-57.3-59.9000111.8P32 A66 I67 E68P32-D64 VanDerWaalsContact CD-OD1 3.25Å; P32-D64 WeakPolarHBondContact CD-OD1 3.42Å; P32-D64 WeakPolarHBondContact CG-OD1 3.17Å; D64-A66 PolarHBondContact O-N 3.28Å; D64-I67 WeakPolarHBondContact O-CB 3.45Å; D64-I67 PolarHBondContact O-N 3.25Å; D64-E68 WeakPolarHBondContact O-CG 3.45Å; D64-E68 PolarHBondContact O-N 3.34Å
65E93.7Very high85.6Confident69 Ų6963.3 Ų63.332%0.32234%0.338SS..Hα-helixtrans-63-31.1175.3-71.8179.8-152.400112.4F61 G63 I67 E68 K69 K99F61-E65 HydrophobicContact CB-CB 4.13Å; F61-E65 HydrophobicContact CD1-CB 4.28Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.48Å; G63-E65 VanDerWaalsContact C-N 3.27Å; G63-E65 PolarHBondContact O-N 3.31Å; E65-I67 VanDerWaalsContact C-N 3.33Å; E65-E68 PolarHBondContact O-N 3.32Å; E65-K69 WeakPolarHBondContact O-CG 3.38Å; E65-K99 WeakPolarHBondContact OE1-CE 3.23Å; E65-K99 IonicContact OE1-NZ 3.11Å; E65-K99 PolarHBondContact OE1-NZ 2.87Å; E65-K99 IonicContact OE2-NZ 2.87Å; E65-K99 PolarHBondContact OE2-NZ 2.74Å
66A94.2Very high87.3Confident0 Ų062.4 Ų62.40%032%0.324CS..Hα-helixtrans-65.8-38.2174.200000111.8A36 F61 I62 G63 D64 E68 K69A36-A66 HydrophobicContact CB-CB 3.6Å; A36-A66 WeakPolarHBondContact CB-O 3.4Å; F61-A66 HydrophobicContact CB-CB 4.48Å; F61-A66 WeakPolarHBondContact O-CB 3.45Å; I62-A66 PolarHBondContact O-N 3.32Å; G63-A66 VanDerWaalsContact O-CB 3.31Å; G63-A66 WeakPolarHBondContact O-CB 3.21Å; G63-A66 PolarHBondContact O-N 2.81Å; D64-A66 PolarHBondContact O-N 3.28Å; A66-E68 VanDerWaalsContact C-N 3.35Å; A66-K69 PolarHBondContact O-N 2.82Å
67I89.1Confident89Confident92 Ų9260.7 Ų60.747%0.47232%0.315SS..Hα-helixtrans-69.9-35.2179.4-61.2179.3000110.9P32 G63 D64 E65 K69P32-I67 HydrophobicContact CB-CD1 3.84Å; P32-I67 HydrophobicContact CG-CD1 3.58Å; G63-I67 PolarHBondContact O-N 2.95Å; D64-I67 WeakPolarHBondContact O-CB 3.45Å; D64-I67 PolarHBondContact O-N 3.25Å; E65-I67 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 2.91Å
68E87.4Confident90.4Very high148 Ų14857.9 Ų57.969%0.69230%0.3SS*.THydrogen-bonded Turntrans-78.63.5-178.4-67.7179.117900114.3D64 E65 A66 P70D64-E68 WeakPolarHBondContact O-CG 3.45Å; D64-E68 PolarHBondContact O-N 3.34Å; E65-E68 PolarHBondContact O-N 3.32Å; A66-E68 VanDerWaalsContact C-N 3.35Å; E68-P70 WeakPolarHBondContact O-CD 3.36Å
69K85.6Confident91.3Very high76 Ų7658.4 Ų58.433%0.3329%0.293SS..  trans-109.678.8-176.6-68.4-76.2-179.8-178.60111.9A36 F61 E65 A66 I67 T71 Y72A36-K69 HydrophobicContact CB-CB 4.47Å; F61-K69 HydrophobicContact CD2-CD 4.15Å; F61-K69 HydrophobicContact CD2-CG 3.9Å; F61-K69 HydrophobicContact CE2-CD 4.07Å; F61-K69 HydrophobicContact CE2-CG 4.33Å; F61-K69 HydrophobicContact CG-CG 4.18Å; F61-K69 HydrophobicContact CZ-CD 4.46Å; E65-K69 WeakPolarHBondContact O-CG 3.38Å; A66-K69 PolarHBondContact O-N 2.82Å; I67-K69 PolarHBondContact O-N 2.91Å; K69-T71 PolarHBondContact O-N 3.18Å; K69-T71 VanDerWaalsContact O-N 3.09Å; K69-Y72 HydrophobicContact CB-CD2 3.86Å; K69-Y72 HydrophobicContact CB-CG 4.23Å; K69-Y72 HydrophobicContact CD-CD2 4.4Å; K69-Y72 HydrophobicContact CD-CE2 4.39Å; K69-Y72 HydrophobicContact CG-CD2 4.49Å; K69-Y72 PolarHBondContact O-N 3.42Å
70P74.2Confident91.5Very high124 Ų12462.6 Ų62.681%0.80531%0.311SS*.THydrogen-bonded Turntrans-66-16.7-175.627.9-36.8000114.2E68 Y72E68-P70 WeakPolarHBondContact O-CD 3.36Å; P70-Y72 VanDerWaalsContact C-N 3.3Å
71T84.7Confident91.3Very high120 Ų12062.8 Ų62.874%0.73632%0.316SS*.THydrogen-bonded Turntrans-83.7-4.5176.258.10000113.4K69K69-T71 PolarHBondContact O-N 3.18Å; K69-T71 VanDerWaalsContact O-N 3.09Å
72Y88.8Confident91.3Very high38 Ų3863.3 Ų63.315%0.14932%0.32CS..SBendtrans-110.5151.2180-71.3-115.3000109.4A36 I37 K38 D59 F61 K69 P70 T74A36-Y72 HydrophobicContact CB-CG 4.43Å; I37-Y72 VanDerWaalsContact C-CD1 3.49Å; K38-Y72 HydrophobicContact CB-CD1 4.15Å; K38-Y72 HydrophobicContact CB-CE1 3.98Å; D59-Y72 PolarHBondContact OD1-OH 3.22Å; D59-Y72 PolarHBondContact OD2-OH 3.44Å; F61-Y72 HydrophobicContact CD2-CD1 4.38Å; F61-Y72 HydrophobicContact CD2-CE1 4.16Å; F61-Y72 AromaticContact CE2-CE1 3.94Å; F61-Y72 HydrophobicContact CE2-CE1 3.94Å; F61-Y72 HydrophobicContact CE2-CE2 4.21Å; F61-Y72 AromaticContact CE2-CZ 3.75Å; K69-Y72 HydrophobicContact CB-CD2 3.86Å; K69-Y72 HydrophobicContact CB-CG 4.23Å; K69-Y72 HydrophobicContact CD-CD2 4.4Å; K69-Y72 HydrophobicContact CD-CE2 4.39Å; K69-Y72 HydrophobicContact CG-CD2 4.49Å; K69-Y72 PolarHBondContact O-N 3.42Å; P70-Y72 VanDerWaalsContact C-N 3.3Å; Y72-T74 PolarHBondContact O-N 2.91Å
73A89.9Confident91.2Very high24 Ų2464.5 Ų64.520%0.19833%0.327CS..EExtended strand (participates in β ladder)trans-80.6113.217200000109.1A36 I37 E39A36-A73 WeakPolarHBondContact CA-O 3.18Å; I37-A73 PolarHBondContact N-O 2.87Å; I37-A73 PolarHBondContact O-N 3.21Å; E39-A73 HydrophobicContact CG-CB 3.7Å
74T92.6Very high91.2Very high61 Ų6170.1 Ų70.137%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-76.5123.7173.4-52.30000110.2C34 Y72C34-T74 HydrophobicContact CB-CG2 3.85Å; Y72-T74 PolarHBondContact O-N 2.91Å
75K94.9Very high91.3Very high79 Ų7968.9 Ų68.934%0.34335%0.347SS..EExtended strand (participates in β ladder)trans-120.5155.4177.8-64.4-170.2176-174.60111C34 I35 I37 L88C34-K75 CarbonylContact C-O 3.46Å; C34-K75 VanDerWaalsContact CA-O 3.24Å; C34-K75 WeakPolarHBondContact CA-O 3.32Å; C34-K75 WeakPolarHBondContact CB-O 3.19Å; I35-K75 HydrophobicContact CG2-CB 4.11Å; I35-K75 PolarHBondContact N-O 3.2Å; I35-K75 PolarHBondContact O-N 3.15Å; I37-K75 HydrophobicContact CD1-CD 3.82Å; I37-K75 HydrophobicContact CG1-CD 4.28Å; K75-L88 HydrophobicContact CB-CD1 3.86Å; K75-L88 HydrophobicContact CD-CD1 3.56Å; K75-L88 HydrophobicContact CG-CD1 4.37Å
76W95.1Very high91.4Very high78 Ų7867.7 Ų67.730%0.29534%0.339SS..  trans-123.2100.4-179.3-65.583.2000107.9P32 S33 C34 I78P32-W76 HydrophobicContact CB-CH2 4.17Å; S33-W76 VanDerWaalsContact O-CE3 3.26Å; C34-W76 HydrophobicContact CB-CD2 3.71Å; C34-W76 HydrophobicContact CB-CE3 3.86Å; C34-W76 HydrophobicContact CB-CG 4.34Å; C34-W76 HydrophobicContact CB-CH2 3.88Å; C34-W76 HydrophobicContact CB-CZ2 3.74Å; C34-W76 HydrophobicContact CB-CZ3 3.93Å; W76-I78 PolarHBondContact O-N 3.17Å
77P96.8Very high91.5Very high2 Ų273.2 Ų73.21%0.01337%0.369CS..SBendtrans-69.1-17.5-176.326.1-33.9000113.3S33 E84 D85 L88 M89S33-P77 WeakPolarHBondContact O-CD 3.11Å; P77-E84 PolarHBondContact O-N 2.86Å; P77-D85 PolarHBondContact O-N 2.86Å; P77-L88 HydrophobicContact CB-CB 3.99Å; P77-M89 HydrophobicContact CG-SD 4.34Å
78I96.2Very high91.8Very high4 Ų469.3 Ų69.32%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-112.2128.5-179.7-54.2172.7000109.3C12 W76 I82 V83 M89C12-I78 HydrophobicContact CB-CD1 3.71Å; W76-I78 PolarHBondContact O-N 3.17Å; I78-I82 CarbonylContact C-O 3.49Å; I78-I82 VanDerWaalsContact CA-O 3.3Å; I78-I82 WeakPolarHBondContact CA-O 3.36Å; I78-I82 WeakPolarHBondContact CG2-O 3.26Å; I78-V83 HydrophobicContact CG1-CG2 4.17Å; I78-M89 HydrophobicContact CD1-CE 4.5Å; I78-M89 HydrophobicContact CD1-SD 4.05Å; I78-M89 HydrophobicContact CG1-SD 4.09Å
79R92.4Very high92.2Very high138 Ų13862.8 Ų62.852%0.52132%0.318SS..EExtended strand (participates in β ladder)trans-129.3136.8171-58.3-159.9-169.8-146.9-4.8110.9G81 I82 E84R79-G81 PolarHBondContact O-N 2.82Å; R79-I82 PolarHBondContact N-O 3.43Å; R79-I82 PolarHBondContact O-N 2.93Å; R79-I82 VanDerWaalsContact O-O 3.13Å; R79-E84 HydrophobicContact CB-CG 4.2Å; R79-E84 WeakPolarHBondContact CB-OE1 3.43Å; R79-E84 VanDerWaalsContact CD-CD 3.5Å; R79-E84 WeakPolarHBondContact CD-OE2 3.22Å; R79-E84 HydrophobicContact CG-CG 4.29Å; R79-E84 VanDerWaalsContact CG-OE2 3.29Å; R79-E84 WeakPolarHBondContact CG-OE2 3.44Å; R79-E84 IonicContact NE-OE2 2.98Å; R79-E84 PolarHBondContact NE-OE2 2.71Å
80H89.6Confident92.8Very high128 Ų12862.3 Ų62.359%0.59332%0.318SS*.THydrogen-bonded Turntrans48.636.1179-54.2-65.9000114.4T14 G173T14-H80 PolarHBondContact OG1-N 3.31Å; H80-G173 PolarHBondContact ND1-O 2.82Å
81G90.2Very high93.8Very high14 Ų1459.5 Ų59.514%0.14429%0.291CS..THydrogen-bonded Turntrans85.7-5.7-178.400000115.8T14 R79 P115T14-G81 PolarHBondContact OG1-N 3.44Å; R79-G81 PolarHBondContact O-N 2.82Å; G81-P115 WeakPolarHBondContact O-CG 3.26Å
82I93.6Very high94.4Very high53 Ų5353.9 Ų53.927%0.27226%0.256SS..EExtended strand (participates in β ladder)trans-112.4138.7-174.2-57.8-64.6000110.6I78 R79 E84 P115 N122I78-I82 CarbonylContact C-O 3.49Å; I78-I82 VanDerWaalsContact CA-O 3.3Å; I78-I82 WeakPolarHBondContact CA-O 3.36Å; I78-I82 WeakPolarHBondContact CG2-O 3.26Å; R79-I82 PolarHBondContact N-O 3.43Å; R79-I82 PolarHBondContact O-N 2.93Å; R79-I82 VanDerWaalsContact O-O 3.13Å; I82-E84 PolarHBondContact O-N 3.46Å; I82-P115 HydrophobicContact CD1-CG 3.65Å; I82-N122 WeakPolarHBondContact CG2-ND2 3.38Å
83V96.4Very high94.8Very high25 Ų2552.2 Ų52.215%0.15225%0.25CC..EExtended strand (participates in β ladder)trans-71.8122.1171.4-1780000108.7I78 W86 M89I78-V83 HydrophobicContact CG1-CG2 4.17Å; V83-W86 HydrophobicContact CB-CD2 4.31Å; V83-W86 HydrophobicContact CB-CH2 3.95Å; V83-W86 HydrophobicContact CB-CZ2 3.69Å; V83-W86 HydrophobicContact CB-CZ3 4.37Å; V83-W86 HydrophobicContact CG1-CD2 3.66Å; V83-W86 HydrophobicContact CG1-CE3 3.89Å; V83-W86 HydrophobicContact CG1-CG 4.1Å; V83-W86 HydrophobicContact CG1-CH2 4.23Å; V83-W86 HydrophobicContact CG1-CZ2 4Å; V83-W86 HydrophobicContact CG1-CZ3 4.19Å; V83-W86 HydrophobicContact CG2-CH2 3.93Å; V83-W86 HydrophobicContact CG2-CZ2 4.18Å; V83-W86 HydrophobicContact CG2-CZ3 4.26Å; V83-M89 HydrophobicContact CG1-CB 3.78Å; V83-M89 HydrophobicContact CG1-CG 3.97Å; V83-M89 HydrophobicContact CG2-CG 4.18Å; V83-M89 HydrophobicContact CG2-SD 4.23Å
84E95Very high95.1Very high117 Ų11754.2 Ų54.255%0.54726%0.255SS..SBendtrans-102.8-22.8177-67.9-172166.700112.8P77 R79 I82P77-E84 PolarHBondContact O-N 2.86Å; R79-E84 HydrophobicContact CB-CG 4.2Å; R79-E84 WeakPolarHBondContact CB-OE1 3.43Å; R79-E84 VanDerWaalsContact CD-CD 3.5Å; R79-E84 WeakPolarHBondContact CD-OE2 3.22Å; R79-E84 HydrophobicContact CG-CG 4.29Å; R79-E84 VanDerWaalsContact CG-OE2 3.29Å; R79-E84 WeakPolarHBondContact CG-OE2 3.44Å; R79-E84 IonicContact NE-OE2 2.98Å; R79-E84 PolarHBondContact NE-OE2 2.71Å; I82-E84 PolarHBondContact O-N 3.46Å
85D96.5Very high95.3Very high56 Ų5653.2 Ų53.230%0.29925%0.246SC..  trans-132.598.2-178.2-169.5-34.6000109.7P77 D87 L88 M89P77-D85 PolarHBondContact O-N 2.86Å; D85-D87 PolarHBondContact OD1-N 2.6Å; D85-L88 HydrophobicContact CB-CB 4.16Å; D85-L88 HydrophobicContact CB-CD1 4.15Å; D85-L88 HydrophobicContact CB-CG 4.29Å; D85-L88 VanDerWaalsContact CG-CG 3.44Å; D85-L88 WeakPolarHBondContact OD1-CG 3.29Å; D85-L88 PolarHBondContact OD1-N 3.06Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.23Å; D85-L88 WeakPolarHBondContact OD2-CG 3.38Å; D85-M89 WeakPolarHBondContact O-CB 3.28Å; D85-M89 PolarHBondContact O-N 2.82Å
86W96.8Very high95.5Very high45 Ų4549.4 Ų49.417%0.1723%0.23CC..Hα-helixtrans-72.5-32.3-176.5-72.7101.8000113V83 L88 M89 E90 N122 Y125 T126 I129V83-W86 HydrophobicContact CB-CD2 4.31Å; V83-W86 HydrophobicContact CB-CH2 3.95Å; V83-W86 HydrophobicContact CB-CZ2 3.69Å; V83-W86 HydrophobicContact CB-CZ3 4.37Å; V83-W86 HydrophobicContact CG1-CD2 3.66Å; V83-W86 HydrophobicContact CG1-CE3 3.89Å; V83-W86 HydrophobicContact CG1-CG 4.1Å; V83-W86 HydrophobicContact CG1-CH2 4.23Å; V83-W86 HydrophobicContact CG1-CZ2 4Å; V83-W86 HydrophobicContact CG1-CZ3 4.19Å; V83-W86 HydrophobicContact CG2-CH2 3.93Å; V83-W86 HydrophobicContact CG2-CZ2 4.18Å; V83-W86 HydrophobicContact CG2-CZ3 4.26Å; W86-L88 VanDerWaalsContact C-N 3.33Å; W86-L88 PolarHBondContact O-N 3.1Å; W86-M89 HydrophobicContact CE3-CB 4.38Å; W86-M89 HydrophobicContact CE3-CG 4.47Å; W86-M89 PolarHBondContact O-N 3.13Å; W86-M89 VanDerWaalsContact O-N 3.16Å; W86-E90 PolarHBondContact O-N 3.01Å; W86-N122 HydrophobicContact CH2-CB 4.27Å; W86-N122 WeakPolarHBondContact CH2-O 3.44Å; W86-N122 HydrophobicContact CZ2-CB 3.64Å; W86-N122 WeakPolarHBondContact CZ2-O 3.47Å; W86-Y125 AromaticContact CD1-CD2 3.9Å; W86-Y125 HydrophobicContact CD2-CD2 4.34Å; W86-Y125 HydrophobicContact CD2-CG 4.13Å; W86-Y125 AromaticContact CE2-CD2 3.82Å; W86-Y125 HydrophobicContact CG-CD2 4.41Å; W86-Y125 HydrophobicContact CG-CG 4.26Å; W86-Y125 HydrophobicContact CZ2-CD2 4.33Å; W86-Y125 AromaticContact NE1-CD2 3.5Å; W86-T126 WeakPolarHBondContact CH2-OG1 3.28Å; W86-T126 WeakPolarHBondContact CZ3-OG1 3.3Å; W86-I129 HydrophobicContact CE3-CD1 3.62Å; W86-I129 HydrophobicContact CZ3-CD1 4.19Å
87D95Very high95.6Very high116 Ų11645.7 Ų45.762%0.6222%0.216SC*.Hα-helixtrans-62.8-42.8175.1-67.1-12000110.5D85 R91D85-D87 PolarHBondContact OD1-N 2.6Å; D87-R91 WeakPolarHBondContact O-CG 3.22Å; D87-R91 PolarHBondContact O-N 3.1Å
88L95.4Very high95.7Very high10 Ų1050.4 Ų50.45%0.05224%0.236CC..Hα-helixtrans-71.6-33.2174.2-68.2-176.4000112.4I35 I37 K75 P77 D85 W86 F92I35-L88 HydrophobicContact CD1-CD2 4.33Å; I35-L88 HydrophobicContact CG2-CB 4.19Å; I35-L88 HydrophobicContact CG2-CD1 4.13Å; I35-L88 HydrophobicContact CG2-CD2 4.13Å; I35-L88 HydrophobicContact CG2-CG 4.39Å; I37-L88 HydrophobicContact CD1-CD2 4.16Å; I37-L88 HydrophobicContact CG2-CD2 4.18Å; K75-L88 HydrophobicContact CB-CD1 3.86Å; K75-L88 HydrophobicContact CD-CD1 3.56Å; K75-L88 HydrophobicContact CG-CD1 4.37Å; P77-L88 HydrophobicContact CB-CB 3.99Å; D85-L88 HydrophobicContact CB-CB 4.16Å; D85-L88 HydrophobicContact CB-CD1 4.15Å; D85-L88 HydrophobicContact CB-CG 4.29Å; D85-L88 VanDerWaalsContact CG-CG 3.44Å; D85-L88 WeakPolarHBondContact OD1-CG 3.29Å; D85-L88 PolarHBondContact OD1-N 3.06Å; D85-L88 WeakPolarHBondContact OD2-CD1 3.23Å; D85-L88 WeakPolarHBondContact OD2-CG 3.38Å; W86-L88 VanDerWaalsContact C-N 3.33Å; W86-L88 PolarHBondContact O-N 3.1Å; L88-F92 VanDerWaalsContact O-CB 3.28Å; L88-F92 WeakPolarHBondContact O-CB 3.46Å; L88-F92 PolarHBondContact O-N 3.37Å
89M97.2Very high95.7Very high10 Ų1053.3 Ų53.35%0.04925%0.248CC..Hα-helixtrans-66.7-39.7177.3-166.964.9-14300111.7C12 P77 I78 V83 D85 W86 F92 M93C12-M89 HydrophobicContact CB-CE 4.48Å; P77-M89 HydrophobicContact CG-SD 4.34Å; I78-M89 HydrophobicContact CD1-CE 4.5Å; I78-M89 HydrophobicContact CD1-SD 4.05Å; I78-M89 HydrophobicContact CG1-SD 4.09Å; V83-M89 HydrophobicContact CG1-CB 3.78Å; V83-M89 HydrophobicContact CG1-CG 3.97Å; V83-M89 HydrophobicContact CG2-CG 4.18Å; V83-M89 HydrophobicContact CG2-SD 4.23Å; D85-M89 WeakPolarHBondContact O-CB 3.28Å; D85-M89 PolarHBondContact O-N 2.82Å; W86-M89 HydrophobicContact CE3-CB 4.38Å; W86-M89 HydrophobicContact CE3-CG 4.47Å; W86-M89 PolarHBondContact O-N 3.13Å; W86-M89 VanDerWaalsContact O-N 3.16Å; M89-F92 HydrophobicContact CE-CD1 3.79Å; M89-F92 HydrophobicContact CE-CE1 4.41Å; M89-F92 WeakPolarHBondContact O-CB 3.32Å; M89-F92 PolarHBondContact O-N 3.35Å; M89-M93 HydrophobicContact CE-CG 3.83Å; M89-M93 HydrophobicContact CE-SD 3.78Å; M89-M93 WeakPolarHBondContact O-CB 3.39Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 3.25Å
90E97.2Very high95.9Very high67 Ų6748 Ų4831%0.31323%0.228SC..Hα-helixtrans-61-49.5175.2-176174.3-164.600111.3W86 F92 M93 E94 I129 S133W86-E90 PolarHBondContact O-N 3.01Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 2.82Å; E90-M93 WeakPolarHBondContact O-CB 3.43Å; E90-M93 PolarHBondContact O-N 2.91Å; E90-M93 VanDerWaalsContact O-N 3.11Å; E90-E94 PolarHBondContact O-N 3.44Å; E90-I129 HydrophobicContact CB-CD1 3.91Å; E90-I129 HydrophobicContact CB-CG1 4.12Å; E90-I129 HydrophobicContact CB-CG2 4.4Å; E90-I129 HydrophobicContact CG-CG1 4.24Å; E90-I129 HydrophobicContact CG-CG2 4.15Å; E90-S133 WeakPolarHBondContact OE1-CB 3.38Å; E90-S133 PolarHBondContact OE1-OG 3.37Å
91R95.5Very high96.3Very high65 Ų6542.2 Ų42.225%0.24520%0.202CC..Hα-helixtrans-59.6-40173.8-67.1178.8-160.4-136.6-4.4112.3I35 D57 F60 D87 M93 E94 Q95I35-R91 HydrophobicContact CD1-CB 3.72Å; D57-R91 IonicContact OD1-CZ 2.75Å; D57-R91 IonicContact OD1-NH1 3.93Å; D57-R91 PolarHBondContact OD1-NH1 2.88Å; D57-R91 IonicContact OD1-NH2 3.92Å; D57-R91 PolarHBondContact OD1-NH2 2.97Å; D57-R91 IonicContact OD2-NH2 2.67Å; F60-R91 HydrophobicContact CD2-CB 4.39Å; F60-R91 HydrophobicContact CE1-CB 4.31Å; F60-R91 HydrophobicContact CE1-CG 4.41Å; F60-R91 HydrophobicContact CE2-CB 3.82Å; F60-R91 VanDerWaalsContact CE2-O 3.22Å; F60-R91 WeakPolarHBondContact CE2-O 3.49Å; F60-R91 HydrophobicContact CZ-CB 3.78Å; F60-R91 HydrophobicContact CZ-CG 4.31Å; D87-R91 WeakPolarHBondContact O-CG 3.22Å; D87-R91 PolarHBondContact O-N 3.1Å; R91-M93 VanDerWaalsContact C-N 3.33Å; R91-E94 WeakPolarHBondContact O-CB 2.91Å; R91-E94 PolarHBondContact O-N 3.06Å; R91-Q95 PolarHBondContact O-N 2.75Å
92F97.4Very high96.6Very high1 Ų151.3 Ų51.30%0.00423%0.232CC..Hα-helixtrans-61.6-44.9175.9-176.5-86.1000110.9T17 I31 I62 L88 M89 E90 E94 Q95 V96T17-F92 HydrophobicContact CG2-CE1 4.06Å; T17-F92 HydrophobicContact CG2-CZ 4.41Å; T17-F92 WeakPolarHBondContact OG1-CZ 3.49Å; I31-F92 HydrophobicContact CD1-CZ 4Å; I31-F92 HydrophobicContact CG1-CZ 4.44Å; I62-F92 HydrophobicContact CB-CD2 3.79Å; I62-F92 HydrophobicContact CB-CE2 3.86Å; I62-F92 HydrophobicContact CD1-CD2 4.04Å; I62-F92 HydrophobicContact CD1-CE2 3.9Å; I62-F92 HydrophobicContact CD1-CG 4.44Å; I62-F92 HydrophobicContact CD1-CZ 4.18Å; I62-F92 HydrophobicContact CG1-CE2 4.45Å; I62-F92 HydrophobicContact CG2-CB 4.49Å; I62-F92 HydrophobicContact CG2-CD2 3.65Å; I62-F92 HydrophobicContact CG2-CE2 4.26Å; I62-F92 HydrophobicContact CG2-CG 4.35Å; L88-F92 VanDerWaalsContact O-CB 3.28Å; L88-F92 WeakPolarHBondContact O-CB 3.46Å; L88-F92 PolarHBondContact O-N 3.37Å; M89-F92 HydrophobicContact CE-CD1 3.79Å; M89-F92 HydrophobicContact CE-CE1 4.41Å; M89-F92 WeakPolarHBondContact O-CB 3.32Å; M89-F92 PolarHBondContact O-N 3.35Å; E90-F92 VanDerWaalsContact C-N 3.28Å; E90-F92 PolarHBondContact O-N 2.82Å; F92-E94 VanDerWaalsContact C-N 3.34Å; F92-E94 PolarHBondContact O-N 3.37Å; F92-Q95 PolarHBondContact O-N 3.18Å; F92-V96 HydrophobicContact CD1-CG2 3.78Å; F92-V96 HydrophobicContact CE1-CG2 3.47Å; F92-V96 VanDerWaalsContact CE1-CG2 3.47Å; F92-V96 HydrophobicContact CZ-CG2 4.18Å; F92-V96 WeakPolarHBondContact O-CG2 3.42Å; F92-V96 PolarHBondContact O-N 3.49Å
93M98Very high96.8Very high4 Ų449 Ų492%0.0222%0.221CC..Hα-helixtrans-63.9-35.6177.2-75.7-53.7-58.100113.1V10 M89 E90 R91 Q95 V96 I97 L112 M130 F134V10-M93 HydrophobicContact CG1-CE 4.18Å; V10-M93 HydrophobicContact CG1-SD 4.15Å; V10-M93 HydrophobicContact CG2-CE 4.46Å; M89-M93 HydrophobicContact CE-CG 3.83Å; M89-M93 HydrophobicContact CE-SD 3.78Å; M89-M93 WeakPolarHBondContact O-CB 3.39Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 3.25Å; E90-M93 WeakPolarHBondContact O-CB 3.43Å; E90-M93 PolarHBondContact O-N 2.91Å; E90-M93 VanDerWaalsContact O-N 3.11Å; R91-M93 VanDerWaalsContact C-N 3.33Å; M93-Q95 PolarHBondContact O-N 3.27Å; M93-V96 HydrophobicContact CE-CG1 4.11Å; M93-V96 WeakPolarHBondContact O-CB 3.11Å; M93-V96 PolarHBondContact O-N 3.24Å; M93-V96 HydrophobicContact SD-CB 4.45Å; M93-V96 HydrophobicContact SD-CG1 4.41Å; M93-I97 HydrophobicContact CE-CD1 4.21Å; M93-I97 HydrophobicContact CE-CG1 4.27Å; M93-I97 WeakPolarHBondContact O-CB 3.14Å; M93-I97 VanDerWaalsContact O-CG1 3.32Å; M93-I97 WeakPolarHBondContact O-CG1 3.49Å; M93-I97 PolarHBondContact O-N 3.23Å; M93-L112 HydrophobicContact CE-CD2 4.26Å; M93-M130 HydrophobicContact CE-SD 3.98Å; M93-F134 HydrophobicContact CB-CE2 3.64Å; M93-F134 HydrophobicContact CB-CZ 4.01Å
94E96.5Very high96.8Very high66 Ų6652.6 Ų52.631%0.30824%0.236SC..Hα-helixtrans-55.4-52.1175-175.2-167.2122.700111.1E90 R91 F92 V96 I97 F98 F134E90-E94 PolarHBondContact O-N 3.44Å; R91-E94 WeakPolarHBondContact O-CB 2.91Å; R91-E94 PolarHBondContact O-N 3.06Å; F92-E94 VanDerWaalsContact C-N 3.34Å; F92-E94 PolarHBondContact O-N 3.37Å; E94-V96 PolarHBondContact O-N 3.4Å; E94-I97 PolarHBondContact O-N 2.99Å; E94-F98 HydrophobicContact CG-CD2 3.75Å; E94-F98 HydrophobicContact CG-CE2 4.06Å; E94-F98 VanDerWaalsContact O-CD2 3.23Å; E94-F98 WeakPolarHBondContact O-CD2 3.28Å; E94-F98 PolarHBondContact O-N 3.01Å; E94-F134 HydrophobicContact CB-CE1 4.08Å; E94-F134 HydrophobicContact CB-CZ 4.02Å; E94-F134 HydrophobicContact CG-CE1 4.43Å
95Q96.4Very high96.9Very high39 Ų3947.1 Ų47.118%0.18221%0.211CC..Hα-helixtrans-67.5-37.1178.1-70.5-69.5-40.300111.8F60 I62 R91 F92 M93 I97 K99 Y100F60-Q95 HydrophobicContact CD2-CG 4.25Å; F60-Q95 HydrophobicContact CE2-CG 3.41Å; F60-Q95 VanDerWaalsContact CE2-CG 3.41Å; F60-Q95 HydrophobicContact CZ-CG 3.93Å; I62-Q95 HydrophobicContact CD1-CB 3.48Å; I62-Q95 VanDerWaalsContact CD1-CB 3.48Å; I62-Q95 HydrophobicContact CG1-CB 3.67Å; I62-Q95 HydrophobicContact CG1-CG 4.38Å; I62-Q95 HydrophobicContact CG2-CB 4.23Å; I62-Q95 HydrophobicContact CG2-CG 4.35Å; R91-Q95 PolarHBondContact O-N 2.75Å; F92-Q95 PolarHBondContact O-N 3.18Å; M93-Q95 PolarHBondContact O-N 3.27Å; Q95-I97 VanDerWaalsContact C-N 3.33Å; Q95-I97 PolarHBondContact O-N 3.28Å; Q95-K99 WeakPolarHBondContact O-CA 3.27Å; Q95-K99 VanDerWaalsContact O-CB 3.26Å; Q95-K99 WeakPolarHBondContact O-CB 3.21Å; Q95-K99 PolarHBondContact O-N 2.76Å; Q95-Y100 WeakPolarHBondContact O-CD2 3.26Å; Q95-Y100 PolarHBondContact O-N 3.23Å; Q95-Y100 VanDerWaalsContact O-N 3.13Å
96V98.3Very high96.9Very high0 Ų049.4 Ų49.40%022%0.22CC..Iπ-helixtrans-55.3-48.6173.1162.30000111.2V10 L19 I62 F92 M93 E94 Y100 L101V10-V96 HydrophobicContact CG1-CG1 4.48Å; V10-V96 HydrophobicContact CG2-CG1 4.29Å; L19-V96 HydrophobicContact CD1-CB 4.34Å; L19-V96 HydrophobicContact CD1-CG1 3.91Å; L19-V96 HydrophobicContact CD1-CG2 3.97Å; L19-V96 HydrophobicContact CD2-CB 4.45Å; L19-V96 HydrophobicContact CD2-CG1 3.42Å; L19-V96 VanDerWaalsContact CD2-CG1 3.42Å; L19-V96 HydrophobicContact CD2-CG2 4.2Å; L19-V96 HydrophobicContact CG-CG1 4.27Å; I62-V96 HydrophobicContact CD1-CG2 3.96Å; F92-V96 HydrophobicContact CD1-CG2 3.78Å; F92-V96 HydrophobicContact CE1-CG2 3.47Å; F92-V96 VanDerWaalsContact CE1-CG2 3.47Å; F92-V96 HydrophobicContact CZ-CG2 4.18Å; F92-V96 WeakPolarHBondContact O-CG2 3.42Å; F92-V96 PolarHBondContact O-N 3.49Å; M93-V96 HydrophobicContact CE-CG1 4.11Å; M93-V96 WeakPolarHBondContact O-CB 3.11Å; M93-V96 PolarHBondContact O-N 3.24Å; M93-V96 HydrophobicContact SD-CB 4.45Å; M93-V96 HydrophobicContact SD-CG1 4.41Å; E94-V96 PolarHBondContact O-N 3.4Å; V96-Y100 WeakPolarHBondContact O-CB 3.28Å; V96-L101 HydrophobicContact CG1-CD1 4.16Å; V96-L101 WeakPolarHBondContact O-CG 3.13Å; V96-L101 PolarHBondContact O-N 3.36Å
97I98.3Very high97Very high0 Ų052 Ų520%024%0.237CC..Iπ-helixtrans-72.6-56.5-175.6-67.7167.8000110.7M93 E94 Q95 L101 R102 A103 P105 F110 M130 F134M93-I97 HydrophobicContact CE-CD1 4.21Å; M93-I97 HydrophobicContact CE-CG1 4.27Å; M93-I97 WeakPolarHBondContact O-CB 3.14Å; M93-I97 VanDerWaalsContact O-CG1 3.32Å; M93-I97 WeakPolarHBondContact O-CG1 3.49Å; M93-I97 PolarHBondContact O-N 3.23Å; E94-I97 PolarHBondContact O-N 2.99Å; Q95-I97 VanDerWaalsContact C-N 3.33Å; Q95-I97 PolarHBondContact O-N 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.36Å; I97-R102 PolarHBondContact O-N 3.12Å; I97-A103 PolarHBondContact O-N 3.47Å; I97-A103 VanDerWaalsContact O-N 3.14Å; I97-P105 HydrophobicContact CG2-CB 4.02Å; I97-P105 HydrophobicContact CG2-CG 4.06Å; I97-F110 HydrophobicContact CD1-CE1 4.32Å; I97-F110 HydrophobicContact CD1-CZ 4.35Å; I97-F110 HydrophobicContact CG1-CE1 4.01Å; I97-F110 HydrophobicContact CG1-CZ 4.14Å; I97-M130 HydrophobicContact CD1-CE 4.22Å; I97-F134 HydrophobicContact CD1-CB 4.16Å; I97-F134 HydrophobicContact CD1-CD1 3.9Å; I97-F134 HydrophobicContact CD1-CD2 3.63Å; I97-F134 HydrophobicContact CD1-CE1 4.21Å; I97-F134 HydrophobicContact CD1-CE2 3.94Å; I97-F134 HydrophobicContact CD1-CG 3.61Å; I97-F134 HydrophobicContact CD1-CZ 4.24Å
98F97.3Very high97.1Very high100 Ų10047.1 Ų47.144%0.43921%0.21SC..Iπ-helixtrans-83.8-35.9-168.5-63.1-65.4000113.5E94 R102 P105 F134E94-F98 HydrophobicContact CG-CD2 3.75Å; E94-F98 HydrophobicContact CG-CE2 4.06Å; E94-F98 VanDerWaalsContact O-CD2 3.23Å; E94-F98 WeakPolarHBondContact O-CD2 3.28Å; E94-F98 PolarHBondContact O-N 3.01Å; F98-R102 WeakPolarHBondContact O-CA 3.35Å; F98-P105 HydrophobicContact CE1-CG 4.11Å; F98-P105 HydrophobicContact CZ-CG 4.01Å; F98-F134 HydrophobicContact CE2-CD1 4.05Å; F98-F134 AromaticContact CE2-CE1 3.96Å; F98-F134 HydrophobicContact CE2-CE1 3.96Å; F98-F134 HydrophobicContact CZ-CD1 4.37Å
99K96.1Very high97.2Very high65 Ų6548.1 Ų48.128%0.28321%0.214SC..Iπ-helixtrans-91.5-48.6-177.2176.1-177174.4-175.50112.9E65 Q95 R102E65-K99 WeakPolarHBondContact OE1-CE 3.23Å; E65-K99 IonicContact OE1-NZ 3.11Å; E65-K99 PolarHBondContact OE1-NZ 2.87Å; E65-K99 IonicContact OE2-NZ 2.87Å; E65-K99 PolarHBondContact OE2-NZ 2.74Å; Q95-K99 WeakPolarHBondContact O-CA 3.27Å; Q95-K99 VanDerWaalsContact O-CB 3.26Å; Q95-K99 WeakPolarHBondContact O-CB 3.21Å; Q95-K99 PolarHBondContact O-N 2.76Å; K99-R102 WeakPolarHBondContact O-CG 3.37Å
100Y97.7Very high97.3Very high26 Ų2647.7 Ų47.710%0.10221%0.211CC..Iπ-helixtrans-83.9-60-175.2-73.6-87.2000111.9L19 F29 I31 I62 Q95 V96 R102L19-Y100 HydrophobicContact CD1-CG 4.21Å; F29-Y100 HydrophobicContact CB-CD1 4.2Å; F29-Y100 AromaticContact CD1-CD1 3.76Å; F29-Y100 HydrophobicContact CD1-CD1 3.76Å; F29-Y100 HydrophobicContact CD1-CE1 4.39Å; F29-Y100 HydrophobicContact CD2-CD1 4.32Å; F29-Y100 HydrophobicContact CE1-CD1 4.2Å; F29-Y100 WeakPolarHBondContact CE2-O 3.37Å; F29-Y100 AromaticContact CG-CD1 3.83Å; F29-Y100 HydrophobicContact CG-CD1 3.83Å; F29-Y100 WeakPolarHBondContact CZ-O 3.32Å; I31-Y100 HydrophobicContact CD1-CD2 4.24Å; I31-Y100 HydrophobicContact CD1-CE1 4.36Å; I31-Y100 HydrophobicContact CD1-CE2 3.97Å; I31-Y100 HydrophobicContact CG2-CD1 4.19Å; I31-Y100 HydrophobicContact CG2-CE1 3.58Å; I62-Y100 HydrophobicContact CD1-CD2 4.01Å; I62-Y100 HydrophobicContact CD1-CE2 3.64Å; I62-Y100 HydrophobicContact CG1-CD2 4.47Å; I62-Y100 HydrophobicContact CG1-CE2 3.65Å; Q95-Y100 WeakPolarHBondContact O-CD2 3.26Å; Q95-Y100 PolarHBondContact O-N 3.23Å; Q95-Y100 VanDerWaalsContact O-N 3.13Å; V96-Y100 WeakPolarHBondContact O-CB 3.28Å; Y100-R102 VanDerWaalsContact C-N 3.3Å; Y100-R102 PolarHBondContact O-N 3.39Å
101L97.7Very high97.3Very high7 Ų744.5 Ų44.54%0.03720%0.196CC..Iπ-helixtrans-68.8-33178.2-65.9174.4000111.3C8 V10 L19 Y21 V96 I97 A103 F110C8-L101 HydrophobicContact CB-CD1 4.04Å; V10-L101 HydrophobicContact CG2-CD1 4.23Å; L19-L101 HydrophobicContact CB-CD2 4.13Å; Y21-L101 PolarHBondContact OH-O 3.21Å; V96-L101 HydrophobicContact CG1-CD1 4.16Å; V96-L101 WeakPolarHBondContact O-CG 3.13Å; V96-L101 PolarHBondContact O-N 3.36Å; I97-L101 WeakPolarHBondContact O-CB 3.36Å; L101-A103 HydrophobicContact CB-CB 4.17Å; L101-A103 PolarHBondContact O-N 3.18Å; L101-F110 HydrophobicContact CD1-CE1 4.24Å
102R97.3Very high97.4Very high206 Ų20642 Ų4278%0.77719%0.188SC*.  trans56.639.1-173.1-52.9178.8-178.9-178.9-0.6111.1I97 F98 K99 Y100I97-R102 PolarHBondContact O-N 3.12Å; F98-R102 WeakPolarHBondContact O-CA 3.35Å; K99-R102 WeakPolarHBondContact O-CG 3.37Å; Y100-R102 VanDerWaalsContact C-N 3.3Å; Y100-R102 PolarHBondContact O-N 3.39Å
103A96.1Very high97.3Very high5 Ų542.8 Ų42.84%0.04119%0.193CC..  trans-95.4145.6-18000000110.2I97 L101 P105I97-A103 PolarHBondContact O-N 3.47Å; I97-A103 VanDerWaalsContact O-N 3.14Å; L101-A103 HydrophobicContact CB-CB 4.17Å; L101-A103 PolarHBondContact O-N 3.18Å; A103-P105 WeakPolarHBondContact O-CD 3.22Å
104E97Very high97.2Very high99 Ų9942.7 Ų42.746%0.46319%0.192SC..  trans-83.1106.5157.3-176.857.7-110.900106.9E106 D107 H108E104-E106 HydrophobicContact CG-CB 4.49Å; E104-E106 PolarHBondContact O-N 2.98Å; E104-E106 VanDerWaalsContact O-N 3.1Å; E104-D107 PolarHBondContact O-N 3.5Å; E104-H108 PolarHBondContact O-CD2 2.86Å
105P97.4Very high96.9Very high3 Ų340 Ų402%0.01918%0.181CC..G310 helixtrans-58.6-28.5-170.322.6-34.7000113.6I97 F98 A103 D107 H108 F110 F134 V136 P137I97-P105 HydrophobicContact CG2-CB 4.02Å; I97-P105 HydrophobicContact CG2-CG 4.06Å; F98-P105 HydrophobicContact CE1-CG 4.11Å; F98-P105 HydrophobicContact CZ-CG 4.01Å; A103-P105 WeakPolarHBondContact O-CD 3.22Å; P105-D107 PolarHBondContact O-N 2.88Å; P105-H108 PolarHBondContact O-N 2.84Å; P105-F110 HydrophobicContact CB-CE2 4.17Å; P105-F110 HydrophobicContact CB-CZ 4.32Å; P105-F134 HydrophobicContact CB-CB 4.06Å; P105-F134 VanDerWaalsContact CB-O 3.3Å; P105-F134 WeakPolarHBondContact CB-O 3.4Å; P105-F134 HydrophobicContact CG-CB 4.21Å; P105-F134 VanDerWaalsContact CG-O 3.28Å; P105-F134 WeakPolarHBondContact CG-O 3.35Å; P105-V136 HydrophobicContact CB-CG1 3.99Å; P105-P137 VanDerWaalsContact O-CD 3.28Å; P105-P137 WeakPolarHBondContact O-CD 3.35Å
106E97.4Very high96.4Very high104 Ų10439.2 Ų39.249%0.48618%0.179SC..G310 helixtrans-63.9-22.9177.5-56.5-167159.500113.7E104 N135 P137E104-E106 HydrophobicContact CG-CB 4.49Å; E104-E106 PolarHBondContact O-N 2.98Å; E104-E106 VanDerWaalsContact O-N 3.1Å; E106-N135 HydrophobicContact CG-CB 4.02Å; E106-N135 PolarHBondContact OE1-ND2 3.45Å; E106-P137 WeakPolarHBondContact O-CD 3.35Å; E106-P137 WeakPolarHBondContact O-CG 3.39Å
107D96.9Very high95.8Very high99 Ų9943.5 Ų43.553%0.52920%0.201SC..G310 helixtrans-94.8-6-177.9-69.3-32.6000113.4L5 E104 P105L5-D107 HydrophobicContact CD1-CB 3.73Å; E104-D107 PolarHBondContact O-N 3.5Å; P105-D107 PolarHBondContact O-N 2.88Å
108H97.7Very high95.5Very high13 Ų1344.6 Ų44.66%0.0621%0.207CC..  trans-125.8135.1-170.9-71-95.9000112.9L5 P6 Y21 E104 P105 F110 P137L5-H108 VanDerWaalsContact CD1-NE2 3.32Å; L5-H108 WeakPolarHBondContact CD1-NE2 3.35Å; P6-H108 PolarHBondContact O-ND1 2.9Å; Y21-H108 AromaticContact CE1-CE1 3.42Å; Y21-H108 VanDerWaalsContact CE1-CE1 3.42Å; Y21-H108 WeakPolarHBondContact CE1-CE1 3.31Å; Y21-H108 AromaticContact CE1-ND1 3.68Å; E104-H108 PolarHBondContact O-CD2 2.86Å; P105-H108 PolarHBondContact O-N 2.84Å; H108-F110 HydrophobicContact CB-CD2 4.47Å; H108-F110 HydrophobicContact CB-CE2 3.92Å; H108-F110 VanDerWaalsContact O-CD2 3.29Å; H108-F110 WeakPolarHBondContact O-CD2 3.45Å; H108-F110 WeakPolarHBondContact O-CE2 3.45Å; H108-P137 VanDerWaalsContact O-CD 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.32Å; H108-P137 WeakPolarHBondContact O-CG 3.38Å
109Y97.9Very high95.3Very high32 Ų3242.6 Ų42.613%0.12520%0.203CC..  trans-76.1149.1164.3-81.4-130.1000109.2A7 C8 P137 G138 F390 Y391 C394A7-Y109 CarbonylContact C-O 3.38Å; A7-Y109 VanDerWaalsContact CA-O 3.22Å; A7-Y109 WeakPolarHBondContact CA-O 3.38Å; A7-Y109 WeakPolarHBondContact CB-O 3.4Å; C8-Y109 PolarHBondContact N-O 3.37Å; Y109-P137 HydrophobicContact CD2-CB 4.24Å; Y109-P137 HydrophobicContact CD2-CG 3.71Å; Y109-P137 HydrophobicContact CE2-CB 3.8Å; Y109-P137 HydrophobicContact CE2-CG 3.8Å; Y109-G138 WeakPolarHBondContact CA-O 3.4Å; Y109-F390 HydrophobicContact CD1-CE1 4.42Å; Y109-Y391 AromaticContact CD1-CD1 3.63Å; Y109-Y391 HydrophobicContact CD1-CD1 3.63Å; Y109-Y391 HydrophobicContact CD1-CE1 4.27Å; Y109-Y391 HydrophobicContact CD2-CD1 4.2Å; Y109-Y391 HydrophobicContact CD2-CE1 4.33Å; Y109-Y391 AromaticContact CE1-CD1 3.98Å; Y109-Y391 HydrophobicContact CE1-CD1 3.98Å; Y109-Y391 AromaticContact CG-CD1 3.77Å; Y109-Y391 HydrophobicContact CG-CD1 3.77Å; Y109-Y391 AromaticContact CG-CE1 3.96Å; Y109-Y391 HydrophobicContact CG-CE1 3.96Å; Y109-C394 HydrophobicContact CD1-CB 3.78Å; Y109-C394 HydrophobicContact CE1-CB 3.83Å
110F98.4Very high95.1Very high0 Ų042 Ų420%021%0.206CC..EExtended strand (participates in β ladder)trans-117.6135180-78.3-105.3000111.7C8 V10 I97 L101 P105 H108 L112 M130 V136 G138 L139 Y140C8-F110 HydrophobicContact CB-CD1 3.48Å; C8-F110 VanDerWaalsContact CB-CD1 3.48Å; C8-F110 HydrophobicContact CB-CD2 4.36Å; C8-F110 HydrophobicContact CB-CE1 3.37Å; C8-F110 HydrophobicContact CB-CE2 4.27Å; C8-F110 HydrophobicContact CB-CG 3.99Å; C8-F110 HydrophobicContact CB-CZ 3.81Å; C8-F110 WeakPolarHBondContact O-CA 3.41Å; V10-F110 HydrophobicContact CG2-CD1 4.39Å; I97-F110 HydrophobicContact CD1-CE1 4.32Å; I97-F110 HydrophobicContact CD1-CZ 4.35Å; I97-F110 HydrophobicContact CG1-CE1 4.01Å; I97-F110 HydrophobicContact CG1-CZ 4.14Å; L101-F110 HydrophobicContact CD1-CE1 4.24Å; P105-F110 HydrophobicContact CB-CE2 4.17Å; P105-F110 HydrophobicContact CB-CZ 4.32Å; H108-F110 HydrophobicContact CB-CD2 4.47Å; H108-F110 HydrophobicContact CB-CE2 3.92Å; H108-F110 VanDerWaalsContact O-CD2 3.29Å; H108-F110 WeakPolarHBondContact O-CD2 3.45Å; H108-F110 WeakPolarHBondContact O-CE2 3.45Å; F110-L112 HydrophobicContact CB-CD1 3.91Å; F110-M130 HydrophobicContact CB-CE 4.07Å; F110-M130 HydrophobicContact CD1-CE 3.65Å; F110-M130 HydrophobicContact CD2-CE 4.09Å; F110-M130 HydrophobicContact CE1-CE 4.07Å; F110-M130 HydrophobicContact CE2-CE 4.47Å; F110-M130 HydrophobicContact CG-CE 3.66Å; F110-M130 HydrophobicContact CZ-CE 4.46Å; F110-V136 HydrophobicContact CD2-CB 4.05Å; F110-V136 HydrophobicContact CD2-CG1 3.47Å; F110-V136 VanDerWaalsContact CD2-CG1 3.47Å; F110-V136 HydrophobicContact CE2-CB 4.47Å; F110-V136 HydrophobicContact CE2-CG1 3.59Å; F110-V136 HydrophobicContact CG-CG1 4.3Å; F110-V136 HydrophobicContact CZ-CG1 4.48Å; F110-G138 PolarHBondContact N-O 2.96Å; F110-L139 HydrophobicContact CB-CD1 4.27Å; F110-L139 CarbonylContact O-C 3.49Å; F110-L139 WeakPolarHBondContact O-CA 3.17Å; F110-Y140 PolarHBondContact O-N 2.56Å
111L98Very high95Very high0 Ų044.4 Ų44.40%022%0.218CC..EExtended strand (participates in β ladder)trans-107112.6162.1-171.7156.2000107.9C8 V9 V10 T113 Y140 A142 L147 L384 A385 F390C8-L111 PolarHBondContact O-N 3.18Å; V9-L111 WeakPolarHBondContact CA-O 3.48Å; V9-L111 HydrophobicContact CG1-CD2 4.11Å; V9-L111 HydrophobicContact CG2-CB 4.4Å; V10-L111 PolarHBondContact N-O 2.91Å; L111-T113 HydrophobicContact CD2-CG2 4.05Å; L111-Y140 VanDerWaalsContact CA-O 3.32Å; L111-Y140 WeakPolarHBondContact CA-O 3.46Å; L111-Y140 HydrophobicContact CD1-CD1 3.97Å; L111-Y140 HydrophobicContact CG-CD1 4.1Å; L111-A142 HydrophobicContact CD1-CB 4.3Å; L111-A142 HydrophobicContact CD2-CB 3.86Å; L111-A142 HydrophobicContact CG-CB 4.12Å; L111-L147 HydrophobicContact CD2-CD1 4.1Å; L111-L384 HydrophobicContact CD1-CB 4.41Å; L111-L384 HydrophobicContact CD1-CD2 4.03Å; L111-L384 HydrophobicContact CD1-CG 4.36Å; L111-A385 HydrophobicContact CB-CB 4.42Å; L111-A385 HydrophobicContact CD1-CB 4.12Å; L111-F390 HydrophobicContact CB-CE2 3.91Å; L111-F390 HydrophobicContact CB-CZ 4.12Å; L111-F390 HydrophobicContact CD1-CD2 4.34Å; L111-F390 HydrophobicContact CD1-CE2 3.87Å; L111-F390 HydrophobicContact CG-CE2 4.27Å
112L98Very high94.9Very high14 Ų1444.9 Ų44.97%0.07322%0.221CC..EExtended strand (participates in β ladder)trans-102.6153.6168-72.698.6000109.6V10 M93 F110 T126 M130 L139 Y140 I141 A142V10-L112 HydrophobicContact CB-CG 4.26Å; V10-L112 HydrophobicContact CG1-CD2 4.48Å; V10-L112 WeakPolarHBondContact O-CA 3.25Å; M93-L112 HydrophobicContact CE-CD2 4.26Å; F110-L112 HydrophobicContact CB-CD1 3.91Å; L112-T126 HydrophobicContact CD2-CG2 4.23Å; L112-M130 HydrophobicContact CD1-CE 4.09Å; L112-M130 HydrophobicContact CD1-CG 3.98Å; L112-M130 HydrophobicContact CD1-SD 4.04Å; L112-M130 HydrophobicContact CD2-SD 4.34Å; L112-L139 HydrophobicContact CD1-CD1 3.21Å; L112-L139 HydrophobicContact CG-CD1 4.47Å; L112-Y140 PolarHBondContact N-O 2.81Å; L112-I141 CarbonylContact O-C 3.53Å; L112-I141 WeakPolarHBondContact O-CA 3.29Å; L112-A142 PolarHBondContact O-N 3.28Å
113T95.9Very high94.9Very high16 Ų1636.9 Ų36.910%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-107.9148.4-179.770.90000111.8V10 D11 L111 A142 Q144 L147 V377V10-T113 PolarHBondContact O-N 2.69Å; D11-T113 WeakPolarHBondContact CA-OG1 3.36Å; D11-T113 HydrophobicContact CB-CG2 3.88Å; D11-T113 PolarHBondContact OD1-OG1 3.48Å; D11-T113 VanDerWaalsContact OD1-OG1 3.08Å; L111-T113 HydrophobicContact CD2-CG2 4.05Å; T113-A142 CarbonylContact C-O 3.5Å; T113-A142 VanDerWaalsContact CA-O 3.25Å; T113-A142 WeakPolarHBondContact CA-O 3.4Å; T113-Q144 PolarHBondContact OG1-NE2 3.16Å; T113-L147 HydrophobicContact CG2-CD1 3.8Å; T113-V377 HydrophobicContact CG2-CG1 3.71Å
114E94.1Very high94.9Very high2 Ų238.3 Ų38.31%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-132.9151.9175.366.1173.4177.900113.1N118 R123 I141 A142 V143 Q144E114-N118 HydrophobicContact CB-CB 4.2Å; E114-N118 WeakPolarHBondContact OE2-CB 3.5Å; E114-N118 PolarHBondContact OE2-ND2 3.04Å; E114-R123 VanDerWaalsContact CD-NE 3.29Å; E114-R123 IonicContact OE1-CZ 3.02Å; E114-R123 IonicContact OE1-NE 3.49Å; E114-R123 PolarHBondContact OE1-NE 3.05Å; E114-R123 IonicContact OE1-NH2 3.56Å; E114-R123 PolarHBondContact OE1-NH2 3.26Å; E114-R123 WeakPolarHBondContact OE2-CG 3.49Å; E114-R123 IonicContact OE2-CZ 2.75Å; E114-R123 IonicContact OE2-NE 3.18Å; E114-R123 PolarHBondContact OE2-NE 3.43Å; E114-R123 IonicContact OE2-NH2 2.9Å; E114-R123 PolarHBondContact OE2-NH2 2.92Å; E114-I141 HydrophobicContact CB-CG2 3.86Å; E114-I141 HydrophobicContact CG-CG2 3.71Å; E114-A142 PolarHBondContact N-O 3.03Å; E114-V143 HydrophobicContact CG-CG2 4.37Å; E114-Q144 VanDerWaalsContact O-CG 3.27Å; E114-Q144 WeakPolarHBondContact O-CG 3.48Å; E114-Q144 PolarHBondContact O-N 2.93Å
115P91.8Very high94.9Very high11 Ų1138.7 Ų38.77%0.07119%0.194CC..  trans-69.5159168.932.2-36.8000111.1G81 I82 L117 N118G81-P115 WeakPolarHBondContact O-CG 3.26Å; I82-P115 HydrophobicContact CD1-CG 3.65Å; P115-L117 VanDerWaalsContact C-N 3.26Å; P115-L117 PolarHBondContact O-N 3.41Å; P115-N118 HydrophobicContact CG-CB 4.14Å; P115-N118 WeakPolarHBondContact O-CB 3.38Å; P115-N118 PolarHBondContact O-N 3.31Å
116P85.8Confident94.9Very high22 Ų2239.5 Ų39.514%0.14320%0.199CC..THydrogen-bonded Turntrans-66.3-20.9-173.429.6-40.3000115.3V143 I178 V185 I190P116-V143 HydrophobicContact CB-CG1 4.3Å; P116-I178 HydrophobicContact CB-CG2 4.27Å; P116-I178 HydrophobicContact CG-CD1 3.65Å; P116-I178 HydrophobicContact CG-CG1 4.04Å; P116-I178 HydrophobicContact CG-CG2 4.33Å; P116-V185 HydrophobicContact CB-CG1 4.08Å; P116-I190 HydrophobicContact CB-CD1 3.65Å; P116-I190 HydrophobicContact CG-CD1 3.81Å
117L85.6Confident94.9Very high90 Ų9034.5 Ų34.547%0.47118%0.176SC..THydrogen-bonded Turntrans-110.326.4-179.4-62.3-178.4000112.3P115 I190 H192P115-L117 VanDerWaalsContact C-N 3.26Å; P115-L117 PolarHBondContact O-N 3.41Å; L117-I190 HydrophobicContact CD1-CG2 4.48Å; L117-I190 HydrophobicContact CD2-CD1 3.9Å; L117-I190 HydrophobicContact CG-CD1 4.01Å; L117-H192 VanDerWaalsContact CD1-NE2 3.28Å; L117-H192 WeakPolarHBondContact CD1-NE2 3.36Å
118N91.6Very high95Very high22 Ų2232.9 Ų32.912%0.11817%0.165CC..  trans-63.5140.4173.9-16430.8000110.7E114 P115 N122E114-N118 HydrophobicContact CB-CB 4.2Å; E114-N118 WeakPolarHBondContact OE2-CB 3.5Å; E114-N118 PolarHBondContact OE2-ND2 3.04Å; P115-N118 HydrophobicContact CG-CB 4.14Å; P115-N118 WeakPolarHBondContact O-CB 3.38Å; P115-N118 PolarHBondContact O-N 3.31Å; N118-N122 WeakPolarHBondContact OD1-CB 3.16Å; N118-N122 PolarHBondContact OD1-ND2 3.28Å
119T92.2Very high95Very high59 Ų5933 Ų3336%0.36217%0.166SC..  trans-73.4149.6-179.860.90000110.6E121 N122 R123T119-E121 PolarHBondContact O-N 3.38Å; T119-N122 WeakPolarHBondContact O-CB 3.36Å; T119-N122 PolarHBondContact O-N 3.43Å; T119-N122 VanDerWaalsContact O-N 3.16Å; T119-N122 WeakPolarHBondContact OG1-CB 3.32Å; T119-N122 PolarHBondContact OG1-N 3.32Å; T119-N122 PolarHBondContact OG1-ND2 3.04Å; T119-N122 PolarHBondContact OG1-OD1 3.25Å; T119-R123 PolarHBondContact O-N 2.82Å
120P93.2Very high95Very high51 Ų5131.5 Ų31.533%0.33116%0.16SC..Hα-helixtrans-55.4-37.3172.3-25.534.9000112.8N122 R123 E124 R409P120-N122 VanDerWaalsContact C-N 3.34Å; P120-N122 PolarHBondContact O-N 3.02Å; P120-R123 WeakPolarHBondContact O-CB 3.42Å; P120-R123 PolarHBondContact O-N 3.26Å; P120-R123 VanDerWaalsContact O-N 3.12Å; P120-E124 PolarHBondContact O-N 3.26Å; P120-E124 VanDerWaalsContact O-N 3.13Å; P120-R409 HydrophobicContact CB-CB 4.24Å; P120-R409 HydrophobicContact CB-CG 3.74Å
121E95.3Very high95Very high78 Ų7831.7 Ų31.736%0.36416%0.161SC..Hα-helixtrans-63.2-39.4178.4-65.265.1-14100111.4T119 R123 E124 Y125 R409T119-E121 PolarHBondContact O-N 3.38Å; E121-R123 VanDerWaalsContact C-N 3.25Å; E121-R123 PolarHBondContact O-N 3.26Å; E121-E124 WeakPolarHBondContact O-CB 3.41Å; E121-E124 PolarHBondContact O-N 2.88Å; E121-E124 VanDerWaalsContact O-N 3.1Å; E121-Y125 HydrophobicContact CB-CE2 4.36Å; E121-Y125 WeakPolarHBondContact O-CD2 3.49Å; E121-Y125 PolarHBondContact O-N 3.44Å; E121-R409 IonicContact OE1-CZ 3.05Å; E121-R409 IonicContact OE1-NH1 3.15Å; E121-R409 PolarHBondContact OE1-NH1 3.37Å; E121-R409 IonicContact OE1-NH2 3.51Å; E121-R409 PolarHBondContact OE1-NH2 3.41Å
122N96Very high95Very high17 Ų1737.5 Ų37.59%0.09119%0.188CC..Hα-helixtrans-63.8-32.1174.7-76.2-2.1000112.7I82 W86 N118 T119 P120 T126I82-N122 WeakPolarHBondContact CG2-ND2 3.38Å; W86-N122 HydrophobicContact CH2-CB 4.27Å; W86-N122 WeakPolarHBondContact CH2-O 3.44Å; W86-N122 HydrophobicContact CZ2-CB 3.64Å; W86-N122 WeakPolarHBondContact CZ2-O 3.47Å; N118-N122 WeakPolarHBondContact OD1-CB 3.16Å; N118-N122 PolarHBondContact OD1-ND2 3.28Å; T119-N122 WeakPolarHBondContact O-CB 3.36Å; T119-N122 PolarHBondContact O-N 3.43Å; T119-N122 VanDerWaalsContact O-N 3.16Å; T119-N122 WeakPolarHBondContact OG1-CB 3.32Å; T119-N122 PolarHBondContact OG1-N 3.32Å; T119-N122 PolarHBondContact OG1-ND2 3.04Å; T119-N122 PolarHBondContact OG1-OD1 3.25Å; P120-N122 VanDerWaalsContact C-N 3.34Å; P120-N122 PolarHBondContact O-N 3.02Å; N122-T126 WeakPolarHBondContact O-CB 3.43Å; N122-T126 PolarHBondContact O-N 3.44Å; N122-T126 PolarHBondContact O-OG1 3.04Å
123R95.8Very high95Very high38 Ų3839.8 Ų39.814%0.14321%0.205CC..Hα-helixtrans-69.3-36.5173.7-61.7179.6177.9158.8-1.1111.4E114 T119 P120 E121 T126 A127 I141 C408 R409E114-R123 VanDerWaalsContact CD-NE 3.29Å; E114-R123 IonicContact OE1-CZ 3.02Å; E114-R123 IonicContact OE1-NE 3.49Å; E114-R123 PolarHBondContact OE1-NE 3.05Å; E114-R123 IonicContact OE1-NH2 3.56Å; E114-R123 PolarHBondContact OE1-NH2 3.26Å; E114-R123 WeakPolarHBondContact OE2-CG 3.49Å; E114-R123 IonicContact OE2-CZ 2.75Å; E114-R123 IonicContact OE2-NE 3.18Å; E114-R123 PolarHBondContact OE2-NE 3.43Å; E114-R123 IonicContact OE2-NH2 2.9Å; E114-R123 PolarHBondContact OE2-NH2 2.92Å; T119-R123 PolarHBondContact O-N 2.82Å; P120-R123 WeakPolarHBondContact O-CB 3.42Å; P120-R123 PolarHBondContact O-N 3.26Å; P120-R123 VanDerWaalsContact O-N 3.12Å; E121-R123 VanDerWaalsContact C-N 3.25Å; E121-R123 PolarHBondContact O-N 3.26Å; R123-T126 PolarHBondContact O-N 3.45Å; R123-A127 WeakPolarHBondContact O-CB 3.34Å; R123-A127 PolarHBondContact O-N 3.33Å; R123-I141 HydrophobicContact CB-CD1 4.09Å; R123-I141 HydrophobicContact CG-CD1 4.4Å; R123-C408 HydrophobicContact CB-CB 4.45Å; R123-C408 VanDerWaalsContact CD-O 3.22Å; R123-C408 WeakPolarHBondContact CD-O 3.25Å; R123-R409 PolarHBondContact NH1-O 2.96Å
124E97.2Very high95.1Very high34 Ų3439.7 Ų39.716%0.15920%0.203CC..Hα-helixtrans-64.2-49.5173.8-66.2-172.8155.900111.3P120 E121 T126 A127 E128 P405 S406 R409P120-E124 PolarHBondContact O-N 3.26Å; P120-E124 VanDerWaalsContact O-N 3.13Å; E121-E124 WeakPolarHBondContact O-CB 3.41Å; E121-E124 PolarHBondContact O-N 2.88Å; E121-E124 VanDerWaalsContact O-N 3.1Å; E124-T126 VanDerWaalsContact C-N 3.28Å; E124-T126 PolarHBondContact O-N 3.46Å; E124-A127 CarbonylContact O-C 3.55Å; E124-A127 WeakPolarHBondContact O-CA 3.45Å; E124-A127 WeakPolarHBondContact O-CB 3.49Å; E124-A127 PolarHBondContact O-N 3.3Å; E124-E128 WeakPolarHBondContact O-CG 3.24Å; E124-E128 PolarHBondContact O-N 3.25Å; E124-P405 HydrophobicContact CB-CB 3.65Å; E124-P405 HydrophobicContact CG-CB 3.8Å; E124-S406 WeakPolarHBondContact OE1-CA 3.46Å; E124-S406 WeakPolarHBondContact OE1-CB 3.33Å; E124-S406 PolarHBondContact OE1-N 3.32Å; E124-R409 VanDerWaalsContact CD-NE 3.28Å; E124-R409 HydrophobicContact CG-CG 4.11Å; E124-R409 IonicContact OE1-CZ 2.76Å; E124-R409 VanDerWaalsContact OE1-CZ 3.23Å; E124-R409 IonicContact OE1-NE 3.01Å; E124-R409 PolarHBondContact OE1-NE 3.17Å; E124-R409 IonicContact OE1-NH2 3.23Å; E124-R409 PolarHBondContact OE1-NH2 2.94Å; E124-R409 IonicContact OE2-CZ 2.67Å; E124-R409 IonicContact OE2-NE 2.74Å; E124-R409 IonicContact OE2-NH2 3.61Å; E124-R409 PolarHBondContact OE2-NH2 2.77Å
125Y97.6Very high95.3Very high107 Ų10741.8 Ų41.842%0.4222%0.215SC..Hα-helixtrans-59.6-38.4176.3-67.5-52.9000112.7W86 E121 A127 E128 I129W86-Y125 AromaticContact CD1-CD2 3.9Å; W86-Y125 HydrophobicContact CD2-CD2 4.34Å; W86-Y125 HydrophobicContact CD2-CG 4.13Å; W86-Y125 AromaticContact CE2-CD2 3.82Å; W86-Y125 HydrophobicContact CG-CD2 4.41Å; W86-Y125 HydrophobicContact CG-CG 4.26Å; W86-Y125 HydrophobicContact CZ2-CD2 4.33Å; W86-Y125 AromaticContact NE1-CD2 3.5Å; E121-Y125 HydrophobicContact CB-CE2 4.36Å; E121-Y125 WeakPolarHBondContact O-CD2 3.49Å; E121-Y125 PolarHBondContact O-N 3.44Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.39Å; Y125-E128 WeakPolarHBondContact CD1-OE2 3.36Å; Y125-E128 PolarHBondContact O-N 3.07Å; Y125-I129 WeakPolarHBondContact O-CG1 3.39Å; Y125-I129 PolarHBondContact O-N 3.2Å; Y125-I129 VanDerWaalsContact O-N 3.07Å
126T97.4Very high95.6Very high20 Ų2041.3 Ų41.312%0.12321%0.211CC..Hα-helixtrans-60.9-43.7172.5-56.70000110.9W86 L112 N122 R123 E124 M130 I141W86-T126 WeakPolarHBondContact CH2-OG1 3.28Å; W86-T126 WeakPolarHBondContact CZ3-OG1 3.3Å; L112-T126 HydrophobicContact CD2-CG2 4.23Å; N122-T126 WeakPolarHBondContact O-CB 3.43Å; N122-T126 PolarHBondContact O-N 3.44Å; N122-T126 PolarHBondContact O-OG1 3.04Å; R123-T126 PolarHBondContact O-N 3.45Å; E124-T126 VanDerWaalsContact C-N 3.28Å; E124-T126 PolarHBondContact O-N 3.46Å; T126-M130 HydrophobicContact CG2-CG 4.39Å; T126-M130 WeakPolarHBondContact O-CB 3.44Å; T126-M130 WeakPolarHBondContact O-CG 3.32Å; T126-M130 PolarHBondContact O-N 2.84Å; T126-I141 HydrophobicContact CG2-CD1 4Å; T126-I141 HydrophobicContact CG2-CG1 4.44Å
127A97.3Very high96.2Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-66-43.9179.600000111.9R123 E124 Y125 M130 F131 L139 Y400 C408R123-A127 WeakPolarHBondContact O-CB 3.34Å; R123-A127 PolarHBondContact O-N 3.33Å; E124-A127 CarbonylContact O-C 3.55Å; E124-A127 WeakPolarHBondContact O-CA 3.45Å; E124-A127 WeakPolarHBondContact O-CB 3.49Å; E124-A127 PolarHBondContact O-N 3.3Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.39Å; A127-M130 PolarHBondContact O-N 2.77Å; A127-F131 HydrophobicContact CB-CD2 4.16Å; A127-F131 WeakPolarHBondContact O-CB 3.04Å; A127-F131 WeakPolarHBondContact O-CD2 3.49Å; A127-F131 PolarHBondContact O-N 3Å; A127-L139 HydrophobicContact CB-CD2 4.34Å; A127-Y400 HydrophobicContact CB-CD2 4.25Å; A127-Y400 HydrophobicContact CB-CE2 3.83Å; A127-C408 HydrophobicContact CB-CB 3.87Å; A127-C408 WeakPolarHBondContact CB-SG 3.44Å
128E98Very high96.7Very high65 Ų6537.6 Ų37.630%0.30419%0.193SC..Hα-helixtrans-56.1-52.1175.7-72.1172.7172.900110.7E124 Y125 M130 E132 Y400 P405E124-E128 WeakPolarHBondContact O-CG 3.24Å; E124-E128 PolarHBondContact O-N 3.25Å; Y125-E128 WeakPolarHBondContact CD1-OE2 3.36Å; Y125-E128 PolarHBondContact O-N 3.07Å; E128-M130 PolarHBondContact O-N 3.08Å; E128-E132 WeakPolarHBondContact O-CA 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.5Å; E128-E132 WeakPolarHBondContact O-CG 3.5Å; E128-E132 PolarHBondContact O-N 3.08Å; E128-Y400 WeakPolarHBondContact CA-OH 3.27Å; E128-Y400 WeakPolarHBondContact CG-OH 3.43Å; E128-P405 HydrophobicContact CG-CB 4.19Å; E128-P405 HydrophobicContact CG-CG 3.74Å
129I98.2Very high97Very high15 Ų1536.5 Ų36.58%0.07719%0.187CC..Iπ-helixtrans-57.6-48.4177.6-71.7170.6000111.4W86 E90 Y125 S133 F134W86-I129 HydrophobicContact CE3-CD1 3.62Å; W86-I129 HydrophobicContact CZ3-CD1 4.19Å; E90-I129 HydrophobicContact CB-CD1 3.91Å; E90-I129 HydrophobicContact CB-CG1 4.12Å; E90-I129 HydrophobicContact CB-CG2 4.4Å; E90-I129 HydrophobicContact CG-CG1 4.24Å; E90-I129 HydrophobicContact CG-CG2 4.15Å; Y125-I129 WeakPolarHBondContact O-CG1 3.39Å; Y125-I129 PolarHBondContact O-N 3.2Å; Y125-I129 VanDerWaalsContact O-N 3.07Å; I129-S133 VanDerWaalsContact O-CB 3.24Å; I129-S133 WeakPolarHBondContact O-CB 3.45Å; I129-S133 PolarHBondContact O-N 3.34Å; I129-F134 HydrophobicContact CG2-CD2 3.82Å; I129-F134 HydrophobicContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact O-CD2 3.26Å; I129-F134 WeakPolarHBondContact O-CD2 3.43Å; I129-F134 PolarHBondContact O-N 3.33Å; I129-F134 VanDerWaalsContact O-N 3.16Å
130M98.6Very high97.2Very high1 Ų134.4 Ų34.41%0.00517%0.172CC..Iπ-helixtrans-73.5-42.1-173.3-64.7-57.2-53.500112.7M93 I97 F110 L112 T126 A127 E128 F134 N135 V136 L139M93-M130 HydrophobicContact CE-SD 3.98Å; I97-M130 HydrophobicContact CD1-CE 4.22Å; F110-M130 HydrophobicContact CB-CE 4.07Å; F110-M130 HydrophobicContact CD1-CE 3.65Å; F110-M130 HydrophobicContact CD2-CE 4.09Å; F110-M130 HydrophobicContact CE1-CE 4.07Å; F110-M130 HydrophobicContact CE2-CE 4.47Å; F110-M130 HydrophobicContact CG-CE 3.66Å; F110-M130 HydrophobicContact CZ-CE 4.46Å; L112-M130 HydrophobicContact CD1-CE 4.09Å; L112-M130 HydrophobicContact CD1-CG 3.98Å; L112-M130 HydrophobicContact CD1-SD 4.04Å; L112-M130 HydrophobicContact CD2-SD 4.34Å; T126-M130 HydrophobicContact CG2-CG 4.39Å; T126-M130 WeakPolarHBondContact O-CB 3.44Å; T126-M130 WeakPolarHBondContact O-CG 3.32Å; T126-M130 PolarHBondContact O-N 2.84Å; A127-M130 PolarHBondContact O-N 2.77Å; E128-M130 PolarHBondContact O-N 3.08Å; M130-F134 CarbonylContact O-C 3.51Å; M130-F134 HydrophobicContact SD-CD2 4.08Å; M130-N135 PolarHBondContact O-N 3.3Å; M130-N135 VanDerWaalsContact O-N 3.14Å; M130-V136 HydrophobicContact CB-CG2 3.96Å; M130-V136 HydrophobicContact CE-CG1 3.66Å; M130-V136 WeakPolarHBondContact O-CG1 3.48Å; M130-V136 WeakPolarHBondContact O-CG2 3.43Å; M130-V136 PolarHBondContact O-N 2.81Å; M130-V136 VanDerWaalsContact O-N 3.1Å; M130-L139 HydrophobicContact CB-CD2 4.11Å; M130-L139 HydrophobicContact CG-CD1 4.36Å; M130-L139 HydrophobicContact CG-CD2 4.35Å
131F98.4Very high97.3Very high3 Ų332.5 Ų32.51%0.01316%0.159CC..Iπ-helixtrans-86.5-37.8-177.3-73.8-64000113.7A127 N135 V136 L139 H395 K397 Y400A127-F131 HydrophobicContact CB-CD2 4.16Å; A127-F131 WeakPolarHBondContact O-CB 3.04Å; A127-F131 WeakPolarHBondContact O-CD2 3.49Å; A127-F131 PolarHBondContact O-N 3Å; F131-N135 VanDerWaalsContact O-CA 3.24Å; F131-N135 WeakPolarHBondContact O-CA 3.16Å; F131-N135 PolarHBondContact O-N 3.28Å; F131-V136 HydrophobicContact CD1-CG2 3.8Å; F131-V136 WeakPolarHBondContact CD1-O 3.45Å; F131-V136 HydrophobicContact CE1-CG2 3.87Å; F131-V136 WeakPolarHBondContact CE1-O 3.38Å; F131-V136 HydrophobicContact CG-CG2 4.4Å; F131-L139 HydrophobicContact CD2-CD2 4.38Å; F131-L139 HydrophobicContact CE1-CB 4.33Å; F131-L139 HydrophobicContact CE2-CB 3.71Å; F131-L139 HydrophobicContact CE2-CD2 3.9Å; F131-L139 HydrophobicContact CE2-CG 4.43Å; F131-L139 HydrophobicContact CZ-CB 3.51Å; F131-H395 HydrophobicContact CZ-CB 4.42Å; F131-H395 WeakPolarHBondContact CZ-O 3.33Å; F131-K397 HydrophobicContact CD1-CB 3.99Å; F131-K397 HydrophobicContact CD1-CG 4.04Å; F131-K397 HydrophobicContact CE1-CB 4.04Å; F131-Y400 HydrophobicContact CB-CD1 3.73Å; F131-Y400 HydrophobicContact CB-CD2 4.19Å; F131-Y400 HydrophobicContact CB-CE1 3.83Å; F131-Y400 HydrophobicContact CB-CE2 4.22Å; F131-Y400 HydrophobicContact CB-CG 3.94Å; F131-Y400 HydrophobicContact CD2-CD1 4.27Å; F131-Y400 AromaticContact CD2-CD2 3.33Å; F131-Y400 HydrophobicContact CD2-CD2 3.33Å; F131-Y400 AromaticContact CD2-CE2 3.83Å; F131-Y400 HydrophobicContact CD2-CE2 3.83Å; F131-Y400 AromaticContact CD2-CG 3.57Å; F131-Y400 HydrophobicContact CD2-CG 3.57Å; F131-Y400 AromaticContact CE2-CD2 3.9Å; F131-Y400 HydrophobicContact CE2-CD2 3.9Å; F131-Y400 HydrophobicContact CE2-CG 4.15Å; F131-Y400 HydrophobicContact CG-CD1 4.07Å; F131-Y400 AromaticContact CG-CD2 3.97Å; F131-Y400 HydrophobicContact CG-CD2 3.97Å; F131-Y400 HydrophobicContact CG-CE2 4.41Å; F131-Y400 AromaticContact CG-CG 3.77Å; F131-Y400 HydrophobicContact CG-CG 3.77Å
132E98.1Very high97.3Very high123 Ų12328.8 Ų28.858%0.57514%0.142SC*.Iπ-helixtrans-88.8-46.9-176-54.1-172.5-178.500111.5E128 Y400E128-E132 WeakPolarHBondContact O-CA 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.5Å; E128-E132 WeakPolarHBondContact O-CG 3.5Å; E128-E132 PolarHBondContact O-N 3.08Å; E132-Y400 VanDerWaalsContact CD-OH 3.3Å; E132-Y400 HydrophobicContact CG-CE1 3.86Å; E132-Y400 WeakPolarHBondContact CG-OH 3.42Å; E132-Y400 PolarHBondContact OE1-OH 3.2Å
133S97.4Very high97.1Very high61 Ų6129 Ų2943%0.42714%0.144SC..Iπ-helixtrans-81.9-41.1-177.6-49.10000112.6E90 I129E90-S133 WeakPolarHBondContact OE1-CB 3.38Å; E90-S133 PolarHBondContact OE1-OG 3.37Å; I129-S133 VanDerWaalsContact O-CB 3.24Å; I129-S133 WeakPolarHBondContact O-CB 3.45Å; I129-S133 PolarHBondContact O-N 3.34Å
134F98Very high97.1Very high14 Ų1427.9 Ų27.96%0.06114%0.14CC..SBendtrans-105.1-3.4-177.6-58.3-57.6000114.6M93 E94 I97 F98 P105 I129 M130 V136M93-F134 HydrophobicContact CB-CE2 3.64Å; M93-F134 HydrophobicContact CB-CZ 4.01Å; E94-F134 HydrophobicContact CB-CE1 4.08Å; E94-F134 HydrophobicContact CB-CZ 4.02Å; E94-F134 HydrophobicContact CG-CE1 4.43Å; I97-F134 HydrophobicContact CD1-CB 4.16Å; I97-F134 HydrophobicContact CD1-CD1 3.9Å; I97-F134 HydrophobicContact CD1-CD2 3.63Å; I97-F134 HydrophobicContact CD1-CE1 4.21Å; I97-F134 HydrophobicContact CD1-CE2 3.94Å; I97-F134 HydrophobicContact CD1-CG 3.61Å; I97-F134 HydrophobicContact CD1-CZ 4.24Å; F98-F134 HydrophobicContact CE2-CD1 4.05Å; F98-F134 AromaticContact CE2-CE1 3.96Å; F98-F134 HydrophobicContact CE2-CE1 3.96Å; F98-F134 HydrophobicContact CZ-CD1 4.37Å; P105-F134 HydrophobicContact CB-CB 4.06Å; P105-F134 VanDerWaalsContact CB-O 3.3Å; P105-F134 WeakPolarHBondContact CB-O 3.4Å; P105-F134 HydrophobicContact CG-CB 4.21Å; P105-F134 VanDerWaalsContact CG-O 3.28Å; P105-F134 WeakPolarHBondContact CG-O 3.35Å; I129-F134 HydrophobicContact CG2-CD2 3.82Å; I129-F134 HydrophobicContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact CG2-CE2 3.44Å; I129-F134 VanDerWaalsContact O-CD2 3.26Å; I129-F134 WeakPolarHBondContact O-CD2 3.43Å; I129-F134 PolarHBondContact O-N 3.33Å; I129-F134 VanDerWaalsContact O-N 3.16Å; M130-F134 CarbonylContact O-C 3.51Å; M130-F134 HydrophobicContact SD-CD2 4.08Å; F134-V136 HydrophobicContact CB-CG1 4.25Å; F134-V136 PolarHBondContact O-N 3.1Å; F134-V136 VanDerWaalsContact O-N 3.13Å
135N97.8Very high96.9Very high47 Ų4726.3 Ų26.325%0.25113%0.133SC..  trans56.132.9171.5-158.963.3000114.5E106 M130 F131 K397E106-N135 HydrophobicContact CG-CB 4.02Å; E106-N135 PolarHBondContact OE1-ND2 3.45Å; M130-N135 PolarHBondContact O-N 3.3Å; M130-N135 VanDerWaalsContact O-N 3.14Å; F131-N135 VanDerWaalsContact O-CA 3.24Å; F131-N135 WeakPolarHBondContact O-CA 3.16Å; F131-N135 PolarHBondContact O-N 3.28Å; N135-K397 WeakPolarHBondContact OD1-CE 3.39Å; N135-K397 PolarHBondContact OD1-NZ 3.06Å
136V98.4Very high96.7Very high0 Ų022.3 Ų22.30%012%0.12CC..  trans-64.9142.8-176.3-58.70000111.7P105 F110 M130 F131 F134 G138 L139P105-V136 HydrophobicContact CB-CG1 3.99Å; F110-V136 HydrophobicContact CD2-CB 4.05Å; F110-V136 HydrophobicContact CD2-CG1 3.47Å; F110-V136 VanDerWaalsContact CD2-CG1 3.47Å; F110-V136 HydrophobicContact CE2-CB 4.47Å; F110-V136 HydrophobicContact CE2-CG1 3.59Å; F110-V136 HydrophobicContact CG-CG1 4.3Å; F110-V136 HydrophobicContact CZ-CG1 4.48Å; M130-V136 HydrophobicContact CB-CG2 3.96Å; M130-V136 HydrophobicContact CE-CG1 3.66Å; M130-V136 WeakPolarHBondContact O-CG1 3.48Å; M130-V136 WeakPolarHBondContact O-CG2 3.43Å; M130-V136 PolarHBondContact O-N 2.81Å; M130-V136 VanDerWaalsContact O-N 3.1Å; F131-V136 HydrophobicContact CD1-CG2 3.8Å; F131-V136 WeakPolarHBondContact CD1-O 3.45Å; F131-V136 HydrophobicContact CE1-CG2 3.87Å; F131-V136 WeakPolarHBondContact CE1-O 3.38Å; F131-V136 HydrophobicContact CG-CG2 4.4Å; F134-V136 HydrophobicContact CB-CG1 4.25Å; F134-V136 PolarHBondContact O-N 3.1Å; F134-V136 VanDerWaalsContact O-N 3.13Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 2.94Å; V136-L139 HydrophobicContact CG2-CB 4.48Å
137P97.6Very high96.6Very high34 Ų3421.6 Ų21.622%0.22112%0.115CC..SBendtrans-73.1-24-179.728.9-37.6000113.5P105 E106 H108 Y109 K397P105-P137 VanDerWaalsContact O-CD 3.28Å; P105-P137 WeakPolarHBondContact O-CD 3.35Å; E106-P137 WeakPolarHBondContact O-CD 3.35Å; E106-P137 WeakPolarHBondContact O-CG 3.39Å; H108-P137 VanDerWaalsContact O-CD 3.23Å; H108-P137 WeakPolarHBondContact O-CD 3.32Å; H108-P137 WeakPolarHBondContact O-CG 3.38Å; Y109-P137 HydrophobicContact CD2-CB 4.24Å; Y109-P137 HydrophobicContact CD2-CG 3.71Å; Y109-P137 HydrophobicContact CE2-CB 3.8Å; Y109-P137 HydrophobicContact CE2-CG 3.8Å; P137-K397 PolarHBondContact O-N 3.37Å
138G96.9Very high96.5Very high0 Ų021.6 Ų21.60%012%0.115CC..EExtended strand (participates in β ladder)trans-165.6144.8177.700000113.8Y109 F110 V136 H395Y109-G138 WeakPolarHBondContact CA-O 3.4Å; F110-G138 PolarHBondContact N-O 2.96Å; V136-G138 VanDerWaalsContact C-N 3.33Å; V136-G138 PolarHBondContact O-N 2.94Å; G138-H395 CarbonylContact C-O 3.57Å; G138-H395 WeakPolarHBondContact CA-O 3.38Å
139L97.5Very high96.3Very high0 Ų018.5 Ų18.50%010%0.101CC..EExtended strand (participates in β ladder)trans-131.3135.7-173.7175.262000110.6F110 L112 A127 M130 F131 V136 I141 C394 H395F110-L139 HydrophobicContact CB-CD1 4.27Å; F110-L139 CarbonylContact O-C 3.49Å; F110-L139 WeakPolarHBondContact O-CA 3.17Å; L112-L139 HydrophobicContact CD1-CD1 3.21Å; L112-L139 HydrophobicContact CG-CD1 4.47Å; A127-L139 HydrophobicContact CB-CD2 4.34Å; M130-L139 HydrophobicContact CB-CD2 4.11Å; M130-L139 HydrophobicContact CG-CD1 4.36Å; M130-L139 HydrophobicContact CG-CD2 4.35Å; F131-L139 HydrophobicContact CD2-CD2 4.38Å; F131-L139 HydrophobicContact CE1-CB 4.33Å; F131-L139 HydrophobicContact CE2-CB 3.71Å; F131-L139 HydrophobicContact CE2-CD2 3.9Å; F131-L139 HydrophobicContact CE2-CG 4.43Å; F131-L139 HydrophobicContact CZ-CB 3.51Å; V136-L139 HydrophobicContact CG2-CB 4.48Å; L139-I141 HydrophobicContact CD1-CG1 4.32Å; L139-I141 HydrophobicContact CD2-CD1 4.25Å; L139-I141 HydrophobicContact CD2-CG1 4.17Å; L139-I141 HydrophobicContact CG-CG1 4.13Å; L139-C394 WeakPolarHBondContact O-CA 3.24Å; L139-H395 PolarHBondContact N-O 3.03Å; L139-H395 PolarHBondContact O-N 3.06Å
140Y96.3Very high96Very high14 Ų1417.8 Ų17.86%0.05510%0.097CC..EExtended strand (participates in β ladder)trans-126.4125.7165.3-173-110000109.8F110 L111 L112 A142 L384 F390 V393 N411 P412F110-Y140 PolarHBondContact O-N 2.56Å; L111-Y140 VanDerWaalsContact CA-O 3.32Å; L111-Y140 WeakPolarHBondContact CA-O 3.46Å; L111-Y140 HydrophobicContact CD1-CD1 3.97Å; L111-Y140 HydrophobicContact CG-CD1 4.1Å; L112-Y140 PolarHBondContact N-O 2.81Å; Y140-A142 HydrophobicContact CD1-CB 3.79Å; Y140-A142 HydrophobicContact CE1-CB 3.56Å; Y140-L384 HydrophobicContact CD1-CD2 4.26Å; Y140-L384 HydrophobicContact CE1-CD2 3.69Å; Y140-F390 HydrophobicContact CD1-CE2 4.28Å; Y140-F390 HydrophobicContact CG-CE2 4.23Å; Y140-V393 HydrophobicContact CD2-CG2 4.01Å; Y140-V393 HydrophobicContact CE2-CG2 3.92Å; Y140-N411 WeakPolarHBondContact CE2-OD1 3.28Å; Y140-N411 PolarHBondContact OH-OD1 2.77Å; Y140-P412 HydrophobicContact CE2-CG 4.07Å; Y140-P412 PolarHBondContact OH-O 3.08Å
141I95.8Very high95.8Very high11 Ų1117.8 Ų17.86%0.05610%0.097CC..EExtended strand (participates in β ladder)trans-101.1106.4176.1-56.6176.4000106.9L112 E114 R123 T126 L139 C408 N411L112-I141 CarbonylContact O-C 3.53Å; L112-I141 WeakPolarHBondContact O-CA 3.29Å; E114-I141 HydrophobicContact CB-CG2 3.86Å; E114-I141 HydrophobicContact CG-CG2 3.71Å; R123-I141 HydrophobicContact CB-CD1 4.09Å; R123-I141 HydrophobicContact CG-CD1 4.4Å; T126-I141 HydrophobicContact CG2-CD1 4Å; T126-I141 HydrophobicContact CG2-CG1 4.44Å; L139-I141 HydrophobicContact CD1-CG1 4.32Å; L139-I141 HydrophobicContact CD2-CD1 4.25Å; L139-I141 HydrophobicContact CD2-CG1 4.17Å; L139-I141 HydrophobicContact CG-CG1 4.13Å; I141-C408 HydrophobicContact CD1-CB 4.25Å; I141-N411 PolarHBondContact O-ND2 3.14Å; I141-N411 PolarHBondContact O-OD1 2.87Å
142A94.4Very high95.4Very high1 Ų117.6 Ų17.61%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-99.8138.7-171.700000112.4L111 L112 T113 E114 Y140 Q144 L147L111-A142 HydrophobicContact CD1-CB 4.3Å; L111-A142 HydrophobicContact CD2-CB 3.86Å; L111-A142 HydrophobicContact CG-CB 4.12Å; L112-A142 PolarHBondContact O-N 3.28Å; T113-A142 CarbonylContact C-O 3.5Å; T113-A142 VanDerWaalsContact CA-O 3.25Å; T113-A142 WeakPolarHBondContact CA-O 3.4Å; E114-A142 PolarHBondContact N-O 3.03Å; Y140-A142 HydrophobicContact CD1-CB 3.79Å; Y140-A142 HydrophobicContact CE1-CB 3.56Å; A142-Q144 PolarHBondContact O-N 2.84Å; A142-L147 HydrophobicContact CB-CD1 3.66Å; A142-L147 HydrophobicContact CB-CD2 4.03Å; A142-L147 HydrophobicContact CB-CG 3.98Å
143V93.2Very high95Very high20 Ų2012.9 Ų12.912%0.1217%0.073CC..EExtended strand (participates in β ladder)trans-74124.1176.3-177.60000110.7E114 P116 A145 V146 L147 V185E114-V143 HydrophobicContact CG-CG2 4.37Å; P116-V143 HydrophobicContact CB-CG1 4.3Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 HydrophobicContact CG1-CB 4.45Å; V143-A145 PolarHBondContact O-N 2.91Å; V143-V146 HydrophobicContact CB-CG2 4.16Å; V143-V146 HydrophobicContact CG1-CG2 4.44Å; V143-V146 PolarHBondContact O-N 3.36Å; V143-V146 VanDerWaalsContact O-N 3.07Å; V143-L147 PolarHBondContact O-N 2.81Å; V143-V185 HydrophobicContact CG1-CG2 4.02Å
144Q94.8Very high94.4Very high16 Ų1612.9 Ų12.98%0.0757%0.071CC..Hα-helixtrans-52.7-42.9-175.3-71.7173.9-27.500113.5D11 T113 E114 A142 V146 L147 A148 V377D11-Q144 PolarHBondContact OD1-NE2 2.9Å; T113-Q144 PolarHBondContact OG1-NE2 3.16Å; E114-Q144 VanDerWaalsContact O-CG 3.27Å; E114-Q144 WeakPolarHBondContact O-CG 3.48Å; E114-Q144 PolarHBondContact O-N 2.93Å; A142-Q144 PolarHBondContact O-N 2.84Å; Q144-V146 PolarHBondContact O-N 3.14Å; Q144-L147 PolarHBondContact O-N 3.47Å; Q144-A148 PolarHBondContact O-N 3.06Å; Q144-V377 HydrophobicContact CB-CG1 4.01Å; Q144-V377 HydrophobicContact CB-CG2 3.94Å; Q144-V377 HydrophobicContact CG-CG1 3.72Å; Q144-V377 HydrophobicContact CG-CG2 4.36Å
145A94.2Very high93.6Very high0 Ų012.9 Ų12.90%07%0.073CC..Hα-helixtrans-61.9-42.1179.500000113.1V143 L147 A148 L149 V167 I178 V180V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 HydrophobicContact CG1-CB 4.45Å; V143-A145 PolarHBondContact O-N 2.91Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 2.8Å; A145-A148 PolarHBondContact O-N 2.89Å; A145-L149 PolarHBondContact O-N 3.42Å; A145-V167 HydrophobicContact CB-CB 4.07Å; A145-V167 HydrophobicContact CB-CG1 4.35Å; A145-V167 HydrophobicContact CB-CG2 4.03Å; A145-V167 WeakPolarHBondContact O-CG2 3.42Å; A145-I178 HydrophobicContact CB-CB 3.99Å; A145-I178 HydrophobicContact CB-CD1 3.78Å; A145-I178 HydrophobicContact CB-CG1 4.5Å; A145-I178 HydrophobicContact CB-CG2 3.66Å; A145-V180 HydrophobicContact CB-CG2 4.1Å
146V93.3Very high92.5Very high24 Ų2422.8 Ų22.815%0.14511%0.107CC..Hα-helixtrans-65.7-40.4179.8-178.80000110V143 Q144 L149 A150 L163 V180 V185V143-V146 HydrophobicContact CB-CG2 4.16Å; V143-V146 HydrophobicContact CG1-CG2 4.44Å; V143-V146 PolarHBondContact O-N 3.36Å; V143-V146 VanDerWaalsContact O-N 3.07Å; Q144-V146 PolarHBondContact O-N 3.14Å; V146-L149 PolarHBondContact O-N 3.14Å; V146-A150 PolarHBondContact O-N 3.37Å; V146-L163 HydrophobicContact CG1-CD2 4.17Å; V146-V180 HydrophobicContact CG2-CG1 4.25Å; V146-V185 HydrophobicContact CG2-CG2 4.41Å
147L94.8Very high91.5Very high4 Ų427.4 Ų27.42%0.02113%0.128CC..Hα-helixtrans-65.1-39.8175-60.7-176.1000112.5L111 T113 A142 V143 Q144 A145 L149 A150 A151 V377 G380 L384L111-L147 HydrophobicContact CD2-CD1 4.1Å; T113-L147 HydrophobicContact CG2-CD1 3.8Å; A142-L147 HydrophobicContact CB-CD1 3.66Å; A142-L147 HydrophobicContact CB-CD2 4.03Å; A142-L147 HydrophobicContact CB-CG 3.98Å; V143-L147 PolarHBondContact O-N 2.81Å; Q144-L147 PolarHBondContact O-N 3.47Å; A145-L147 VanDerWaalsContact C-N 3.31Å; A145-L147 PolarHBondContact O-N 2.8Å; L147-L149 VanDerWaalsContact C-N 3.32Å; L147-L149 PolarHBondContact O-N 2.9Å; L147-A150 PolarHBondContact O-N 3.36Å; L147-A151 WeakPolarHBondContact O-CB 3.36Å; L147-A151 PolarHBondContact O-N 2.81Å; L147-V377 HydrophobicContact CB-CG1 4.46Å; L147-V377 WeakPolarHBondContact CB-O 3.13Å; L147-V377 HydrophobicContact CD1-CG1 4.11Å; L147-G380 WeakPolarHBondContact O-CA 3.35Å; L147-L384 HydrophobicContact CD2-CB 4.49Å; L147-L384 HydrophobicContact CD2-CD2 3.95Å
148A95.1Very high90.4Very high0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-61.5-39.8175.500000112.1Q144 A145 A151 S152 V167 V377Q144-A148 PolarHBondContact O-N 3.06Å; A145-A148 PolarHBondContact O-N 2.89Å; A148-A151 PolarHBondContact O-N 3.49Å; A148-S152 PolarHBondContact O-N 3.05Å; A148-S152 VanDerWaalsContact O-N 3.13Å; A148-V167 HydrophobicContact CB-CG1 3.84Å; A148-V377 HydrophobicContact CB-CG2 4.44Å
149L93.8Very high89.2Confident0 Ų031.1 Ų31.10%017%0.168CC..Hα-helixtrans-62-47.2172.2-77.9161.3000111.5A145 V146 L147 A151 S152 L163 V167 V180 V320A145-L149 PolarHBondContact O-N 3.42Å; V146-L149 PolarHBondContact O-N 3.14Å; L147-L149 VanDerWaalsContact C-N 3.32Å; L147-L149 PolarHBondContact O-N 2.9Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.01Å; L149-S152 WeakPolarHBondContact O-CB 3.32Å; L149-S152 PolarHBondContact O-N 3.32Å; L149-S152 VanDerWaalsContact O-N 3.1Å; L149-S152 PolarHBondContact O-OG 3.33Å; L149-L163 HydrophobicContact CB-CD2 4.39Å; L149-V167 HydrophobicContact CD1-CG2 3.85Å; L149-V167 HydrophobicContact CD2-CG2 4.17Å; L149-V167 HydrophobicContact CG-CG2 3.58Å; L149-V180 HydrophobicContact CD1-CB 3.5Å; L149-V180 HydrophobicContact CD1-CG1 3.87Å; L149-V180 HydrophobicContact CD1-CG2 3.64Å; L149-V320 HydrophobicContact CD2-CB 4.3Å; L149-V320 HydrophobicContact CD2-CG2 3.7Å
150A92.3Very high88.3Confident1 Ų137.3 Ų37.31%0.00820%0.197CC..Hα-helixtrans-59.6-41.7177.800000112.1V146 L147 S152 W153V146-A150 PolarHBondContact O-N 3.37Å; L147-A150 PolarHBondContact O-N 3.36Å; A150-S152 VanDerWaalsContact C-N 3.27Å; A150-S152 PolarHBondContact O-N 3.27Å; A150-W153 HydrophobicContact CB-CE3 4.23Å; A150-W153 HydrophobicContact CB-CH2 4.22Å; A150-W153 HydrophobicContact CB-CZ3 4.05Å; A150-W153 VanDerWaalsContact O-CB 3.3Å; A150-W153 WeakPolarHBondContact O-CB 3.4Å; A150-W153 PolarHBondContact O-N 3.18Å
151A92.7Very high87.8Confident0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-60.2-36.9175.400000112.8L147 A148 L149 W153 T154 A376 F379L147-A151 WeakPolarHBondContact O-CB 3.36Å; L147-A151 PolarHBondContact O-N 2.81Å; A148-A151 PolarHBondContact O-N 3.49Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.01Å; A151-W153 PolarHBondContact O-N 3.05Å; A151-T154 PolarHBondContact O-N 3.17Å; A151-T154 PolarHBondContact O-OG1 3.19Å; A151-A376 HydrophobicContact CB-CB 4.12Å; A151-A376 WeakPolarHBondContact CB-O 3.49Å; A151-F379 HydrophobicContact CB-CD1 3.75Å; A151-F379 HydrophobicContact CB-CE1 4.48Å
152S91.5Very high87.5Confident0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-63.5-20.8-179.482.90000113.5A148 L149 A150 T154 S155 V158A148-S152 PolarHBondContact O-N 3.05Å; A148-S152 VanDerWaalsContact O-N 3.13Å; L149-S152 WeakPolarHBondContact O-CB 3.32Å; L149-S152 PolarHBondContact O-N 3.32Å; L149-S152 VanDerWaalsContact O-N 3.1Å; L149-S152 PolarHBondContact O-OG 3.33Å; A150-S152 VanDerWaalsContact C-N 3.27Å; A150-S152 PolarHBondContact O-N 3.27Å; S152-T154 PolarHBondContact O-N 2.73Å; S152-T154 VanDerWaalsContact O-N 3.09Å; S152-S155 WeakPolarHBondContact O-CA 3.32Å; S152-S155 WeakPolarHBondContact O-CB 3.22Å; S152-S155 PolarHBondContact O-N 3.48Å; S152-V158 VanDerWaalsContact O-CG2 3.32Å; S152-V158 WeakPolarHBondContact O-CG2 3.45Å
153W89.7Confident87.4Confident23 Ų2346 Ų469%0.08723%0.233CC..THydrogen-bonded Turntrans-62.4-17177.7-62-15.3000114.2A150 A151 S155 R161 T162 L163 M383 M417A150-W153 HydrophobicContact CB-CE3 4.23Å; A150-W153 HydrophobicContact CB-CH2 4.22Å; A150-W153 HydrophobicContact CB-CZ3 4.05Å; A150-W153 VanDerWaalsContact O-CB 3.3Å; A150-W153 WeakPolarHBondContact O-CB 3.4Å; A150-W153 PolarHBondContact O-N 3.18Å; A151-W153 PolarHBondContact O-N 3.05Å; W153-S155 VanDerWaalsContact C-N 3.3Å; W153-R161 HydrophobicContact CB-CG 4.05Å; W153-R161 HydrophobicContact CD2-CB 3.89Å; W153-R161 HydrophobicContact CD2-CG 3.98Å; W153-R161 HydrophobicContact CE3-CB 4.42Å; W153-R161 HydrophobicContact CE3-CG 4.4Å; W153-R161 HydrophobicContact CG-CB 4.06Å; W153-R161 HydrophobicContact CG-CG 3.84Å; W153-R161 HydrophobicContact CZ2-CB 4.36Å; W153-T162 PolarHBondContact NE1-O 3.02Å; W153-L163 HydrophobicContact CH2-CD2 3.73Å; W153-L163 HydrophobicContact CH2-CG 4.11Å; W153-L163 HydrophobicContact CZ2-CD2 3.35Å; W153-L163 HydrophobicContact CZ2-CG 3.71Å; W153-M383 HydrophobicContact CE3-CE 4.4Å; W153-M417 HydrophobicContact CH2-CB 3.49Å; W153-M417 VanDerWaalsContact CH2-CB 3.49Å; W153-M417 HydrophobicContact CH2-CE 4.38Å; W153-M417 HydrophobicContact CH2-CG 4.48Å; W153-M417 HydrophobicContact CH2-SD 4.23Å; W153-M417 HydrophobicContact CZ3-CB 3.84Å; W153-M417 HydrophobicContact CZ3-SD 4.02Å
154T84.6Confident87.5Confident61 Ų6145.2 Ų45.237%0.37423%0.228SC..THydrogen-bonded Turntrans-80.8-13.4172.362.90000112.9A151 S152 F379 M383A151-T154 PolarHBondContact O-N 3.17Å; A151-T154 PolarHBondContact O-OG1 3.19Å; S152-T154 PolarHBondContact O-N 2.73Å; S152-T154 VanDerWaalsContact O-N 3.09Å; T154-F379 HydrophobicContact CG2-CE1 3.57Å; T154-F379 HydrophobicContact CG2-CZ 3.8Å; T154-M383 HydrophobicContact CG2-CE 4.44Å; T154-M383 HydrophobicContact CG2-SD 4.1Å
155S81.7Confident87.5Confident15 Ų1544.5 Ų44.511%0.10523%0.225CC..SBendtrans-71.7134.4175-173.70000110.7S152 W153 Q157 V158 T369S152-S155 WeakPolarHBondContact O-CA 3.32Å; S152-S155 WeakPolarHBondContact O-CB 3.22Å; S152-S155 PolarHBondContact O-N 3.48Å; W153-S155 VanDerWaalsContact C-N 3.3Å; S155-Q157 PolarHBondContact O-N 2.81Å; S155-Q157 VanDerWaalsContact O-N 3.13Å; S155-Q157 PolarHBondContact OG-N 2.92Å; S155-V158 PolarHBondContact O-N 3.37Å; S155-T369 PolarHBondContact OG-O 3.5Å
156R74.9Confident87.8Confident255 Ų25544.5 Ų44.596%0.96223%0.225SC*.THydrogen-bonded Turntrans-63.1-17.6173.4-64.1-178.5179.1172.1-0.5113.3V158R156-V158 VanDerWaalsContact C-N 3.27Å
157Q76.2Confident88Confident97 Ų9743.3 Ų43.345%0.45322%0.218SC..THydrogen-bonded Turntrans-73.3-22.9176.3-65.4175.4-3400112S155 G159 I368 T369S155-Q157 PolarHBondContact O-N 2.81Å; S155-Q157 VanDerWaalsContact O-N 3.13Å; S155-Q157 PolarHBondContact OG-N 2.92Å; Q157-G159 PolarHBondContact O-N 2.85Å; Q157-I368 HydrophobicContact CB-CD1 3.83Å; Q157-I368 HydrophobicContact CB-CG2 4.42Å; Q157-T369 PolarHBondContact OE1-O 3.39Å
158V74.1Confident88.1Confident24 Ų2443.1 Ų43.115%0.14522%0.217CC..  trans-91.1103.3-179.3179.80000108.5S152 S155 R156 E160 I368S152-V158 VanDerWaalsContact O-CG2 3.32Å; S152-V158 WeakPolarHBondContact O-CG2 3.45Å; S155-V158 PolarHBondContact O-N 3.37Å; R156-V158 VanDerWaalsContact C-N 3.27Å; V158-E160 WeakPolarHBondContact CG1-O 3.39Å; V158-I368 HydrophobicContact CG2-CD1 4.29Å; V158-I368 HydrophobicContact CG2-CG1 4.22Å; V158-I368 HydrophobicContact CG2-CG2 3.75Å
159G71.7Confident88.2Confident88 Ų8844 Ų4491%0.90722%0.221SC*.  trans-79.5-19.9175.900000113.9Q157Q157-G159 PolarHBondContact O-N 2.85Å
160E78.8Confident88.3Confident130 Ų13044 Ų4461%0.60722%0.221SC*.SBendtrans-135.7129.5-174.1-177.6175.8-168.700109.6V158 T162V158-E160 WeakPolarHBondContact CG1-O 3.39Å; E160-T162 PolarHBondContact O-N 2.75Å
161R85.8Confident88.4Confident164 Ų16445.1 Ų45.162%0.61923%0.233SC*.  trans-76.592.5176.4-64.6-173.3-179.4173.9-0.5109.1W153W153-R161 HydrophobicContact CB-CG 4.05Å; W153-R161 HydrophobicContact CD2-CB 3.89Å; W153-R161 HydrophobicContact CD2-CG 3.98Å; W153-R161 HydrophobicContact CE3-CB 4.42Å; W153-R161 HydrophobicContact CE3-CG 4.4Å; W153-R161 HydrophobicContact CG-CB 4.06Å; W153-R161 HydrophobicContact CG-CG 3.84Å; W153-R161 HydrophobicContact CZ2-CB 4.36Å
162T89.9Confident88.5Confident33 Ų3346.6 Ų46.620%0.20224%0.241CC..  trans-115.5142.8177.4-177.20000110.5W153 E160 T164W153-T162 PolarHBondContact NE1-O 3.02Å; E160-T162 PolarHBondContact O-N 2.75Å; T162-T164 VanDerWaalsContact C-N 3.28Å; T162-T164 WeakPolarHBondContact CG2-O 3.33Å; T162-T164 WeakPolarHBondContact OG1-CB 3.47Å; T162-T164 PolarHBondContact OG1-N 2.89Å
163L91.8Very high88.5Confident12 Ų1247 Ų476%0.06325%0.246CC..SBendtrans-9312.5166.5-66.3176.9000111.9V146 L149 W153 V180 G183V146-L163 HydrophobicContact CG1-CD2 4.17Å; L149-L163 HydrophobicContact CB-CD2 4.39Å; W153-L163 HydrophobicContact CH2-CD2 3.73Å; W153-L163 HydrophobicContact CH2-CG 4.11Å; W153-L163 HydrophobicContact CZ2-CD2 3.35Å; W153-L163 HydrophobicContact CZ2-CG 3.71Å; L163-V180 VanDerWaalsContact O-CG1 3.27Å; L163-V180 WeakPolarHBondContact O-CG1 3.37Å; L163-G183 VanDerWaalsContact CB-N 3.34Å; L163-G183 PolarHBondContact O-N 3.44Å
164T94.8Very high88.6Confident3 Ų347 Ų472%0.01825%0.248CC..  trans-99.6119.2171.5-62.10000109.5T162 V180 A181 E182 P314 L315 N318T162-T164 VanDerWaalsContact C-N 3.28Å; T162-T164 WeakPolarHBondContact CG2-O 3.33Å; T162-T164 WeakPolarHBondContact OG1-CB 3.47Å; T162-T164 PolarHBondContact OG1-N 2.89Å; T164-V180 CarbonylContact C-O 3.56Å; T164-V180 VanDerWaalsContact CA-O 3.3Å; T164-V180 WeakPolarHBondContact CA-O 3.38Å; T164-A181 HydrophobicContact CG2-CB 4.5Å; T164-E182 PolarHBondContact OG1-N 3.13Å; T164-E182 PolarHBondContact OG1-OE1 2.74Å; T164-P314 HydrophobicContact CG2-CB 3.41Å; T164-P314 VanDerWaalsContact CG2-CB 3.41Å; T164-P314 HydrophobicContact CG2-CG 4.41Å; T164-L315 HydrophobicContact CG2-CD2 4.38Å; T164-N318 PolarHBondContact O-ND2 3.25Å
165G96.6Very high89.1Confident0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans176.5168.2-178.600000112.9V180 L315 N318G165-V180 PolarHBondContact N-O 3.18Å; G165-V180 PolarHBondContact O-N 2.76Å; G165-V180 VanDerWaalsContact O-O 3.13Å; G165-L315 VanDerWaalsContact O-CD2 3.26Å; G165-L315 WeakPolarHBondContact O-CD2 3.47Å; G165-N318 CarbonylContact C-O 3.6Å; G165-N318 WeakPolarHBondContact CA-O 3.27Å
166T98.5Very high89.8Confident0 Ų043.7 Ų43.70%023%0.227CC..EExtended strand (participates in β ladder)trans-102.7118.3173.5-61.90000109.5V177 V300 I304 N318 I319 V320T166-V177 HydrophobicContact CG2-CG1 3.6Å; T166-V300 HydrophobicContact CG2-CG1 4.32Å; T166-I304 HydrophobicContact CG2-CD1 4.46Å; T166-I304 HydrophobicContact CG2-CG1 4.41Å; T166-I304 WeakPolarHBondContact OG1-CG1 3.37Å; T166-N318 PolarHBondContact N-O 2.68Å; T166-I319 CarbonylContact O-C 3.51Å; T166-I319 WeakPolarHBondContact O-CA 3.43Å; T166-V320 PolarHBondContact O-N 3.18Å
167V97.9Very high90.9Very high0 Ų031.5 Ų31.50%018%0.181CC..EExtended strand (participates in β ladder)trans-93128.2176.7-176.50000109.6A145 A148 L149 D169 V177 I178 V180 V320A145-V167 HydrophobicContact CB-CB 4.07Å; A145-V167 HydrophobicContact CB-CG1 4.35Å; A145-V167 HydrophobicContact CB-CG2 4.03Å; A145-V167 WeakPolarHBondContact O-CG2 3.42Å; A148-V167 HydrophobicContact CB-CG1 3.84Å; L149-V167 HydrophobicContact CD1-CG2 3.85Å; L149-V167 HydrophobicContact CD2-CG2 4.17Å; L149-V167 HydrophobicContact CG-CG2 3.58Å; V167-D169 HydrophobicContact CG1-CB 4.28Å; V167-V177 WeakPolarHBondContact O-CA 3.45Å; V167-I178 HydrophobicContact CB-CB 4.43Å; V167-I178 PolarHBondContact N-O 3.33Å; V167-I178 PolarHBondContact O-N 2.92Å; V167-V180 HydrophobicContact CG2-CG2 4.47Å; V167-V320 CarbonylContact C-O 3.53Å; V167-V320 WeakPolarHBondContact CA-O 3.42Å
168I98.1Very high91.9Very high0 Ų027 Ų270%016%0.16CC..EExtended strand (participates in β ladder)trans-107.498.4169.5-58.2170.3000106.4H176 V177 I296 V300 I319 V320 L321 S322 L335I168-H176 WeakPolarHBondContact CA-O 3.48Å; I168-V177 HydrophobicContact CG1-CG1 4.44Å; I168-V177 HydrophobicContact CG1-CG2 4.45Å; I168-I296 HydrophobicContact CG2-CD1 3.87Å; I168-V300 HydrophobicContact CD1-CB 4.48Å; I168-V300 HydrophobicContact CD1-CG1 4.29Å; I168-V300 HydrophobicContact CD1-CG2 3.38Å; I168-V300 HydrophobicContact CG1-CG2 3.87Å; I168-I319 HydrophobicContact CD1-CG2 3.51Å; I168-I319 HydrophobicContact CG1-CG2 4.09Å; I168-V320 PolarHBondContact N-O 3Å; I168-L321 HydrophobicContact CB-CD2 3.9Å; I168-L321 HydrophobicContact CD1-CD2 3.93Å; I168-L321 HydrophobicContact CG1-CD2 4.44Å; I168-L321 HydrophobicContact CG2-CD2 4.36Å; I168-S322 PolarHBondContact O-N 3.13Å; I168-L335 HydrophobicContact CD1-CD2 3.36Å
169D96.3Very high93Very high17 Ų1725.8 Ų25.89%0.09115%0.153CC..EExtended strand (participates in β ladder)trans-100.2112179.6-170.632.8000109.7V167 T175 H176 S322V167-D169 HydrophobicContact CG1-CB 4.28Å; D169-T175 CarbonylContact O-C 3.49Å; D169-T175 VanDerWaalsContact O-CA 3.28Å; D169-T175 WeakPolarHBondContact O-CA 3.44Å; D169-H176 PolarHBondContact N-O 2.81Å; D169-H176 PolarHBondContact O-N 2.82Å; D169-S322 WeakPolarHBondContact CA-O 3.5Å; D169-S322 WeakPolarHBondContact OD1-CB 3.4Å; D169-S322 PolarHBondContact OD1-OG 3.36Å
170S96.7Very high94.2Very high0 Ų021.6 Ų21.60%011%0.109CC..EExtended strand (participates in β ladder)trans-12498.6-177-168.90000110.9T175 F282 S322 G323 G324 S325S170-T175 WeakPolarHBondContact CB-OG1 3.34Å; S170-T175 PolarHBondContact OG-OG1 2.75Å; S170-F282 VanDerWaalsContact OG-CZ 3.24Å; S170-F282 WeakPolarHBondContact OG-CZ 3.38Å; S170-S322 PolarHBondContact N-O 2.9Å; S170-G323 CarbonylContact O-C 3.51Å; S170-G323 VanDerWaalsContact O-CA 3.32Å; S170-G323 WeakPolarHBondContact O-CA 3.35Å; S170-G324 PolarHBondContact O-N 2.87Å; S170-S325 WeakPolarHBondContact O-CB 3.42Å; S170-S325 PolarHBondContact O-N 3.11Å; S170-S325 VanDerWaalsContact OG-CB 3.23Å; S170-S325 WeakPolarHBondContact OG-CB 3.39Å
171G94.6Very high95Very high26 Ų2616.1 Ų16.127%0.2689%0.086SC..  trans-92.1-156.1179.500000113.3V174 G197 S325G171-V174 PolarHBondContact N-O 2.81Å; G171-G197 PolarHBondContact O-N 3.18Å; G171-S325 PolarHBondContact O-OG 2.81Å
172D93.4Very high95.2Very high30 Ų3014.3 Ų14.316%0.169%0.085CC..SBendtrans-76.3-42174.8-172.863.8000112.2A196 G197 R198D172-A196 VanDerWaalsContact O-CB 3.29Å; D172-A196 WeakPolarHBondContact O-CB 3.24Å; D172-G197 PolarHBondContact O-N 2.92Å; D172-R198 WeakPolarHBondContact O-CB 3.29Å; D172-R198 PolarHBondContact O-N 3.14Å; D172-R198 IonicContact OD2-CZ 3.38Å; D172-R198 IonicContact OD2-NE 3.1Å; D172-R198 PolarHBondContact OD2-NE 2.78Å; D172-R198 VanDerWaalsContact OD2-NE 3.14Å; D172-R198 IonicContact OD2-NH2 2.71Å; D172-R198 PolarHBondContact OD2-NH2 3.39Å
173G91.6Very high95.2Very high10 Ų1012.9 Ų12.910%0.1038%0.076CC..SBendtrans-107.1-10.7-170.800000116H80H80-G173 PolarHBondContact ND1-O 2.82Å
174V91.9Very high95.1Very high22 Ų2219.3 Ų19.313%0.13310%0.101CC..  trans-158.7148.5-176.564.30000111.6G171 H176G171-V174 PolarHBondContact N-O 2.81Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.21Å; V174-H176 WeakPolarHBondContact CG2-CE1 3.21Å; V174-H176 VanDerWaalsContact CG2-NE2 3.35Å; V174-H176 WeakPolarHBondContact CG2-NE2 3.45Å
175T95.6Very high95Very high0 Ų021.2 Ų21.20%011%0.113CC..EExtended strand (participates in β ladder)trans-120.9130.2168.4-61.30000110.1D169 S170 I193 I195 F282 I296D169-T175 CarbonylContact O-C 3.49Å; D169-T175 VanDerWaalsContact O-CA 3.28Å; D169-T175 WeakPolarHBondContact O-CA 3.44Å; S170-T175 WeakPolarHBondContact CB-OG1 3.34Å; S170-T175 PolarHBondContact OG-OG1 2.75Å; T175-I193 HydrophobicContact CG2-CB 4.18Å; T175-I193 HydrophobicContact CG2-CD1 4.11Å; T175-I193 HydrophobicContact CG2-CG1 4.45Å; T175-I193 PolarHBondContact O-N 3.48Å; T175-I195 WeakPolarHBondContact CB-O 3.38Å; T175-I195 PolarHBondContact OG1-O 2.85Å; T175-F282 HydrophobicContact CG2-CE1 4.26Å; T175-I296 HydrophobicContact CG2-CD1 4.23Å
176H95.7Very high95Very high6 Ų622.6 Ų22.63%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-122.5141.2179.5-60.9107.7000111.1I168 D169 V174 I178 H192I168-H176 WeakPolarHBondContact CA-O 3.48Å; D169-H176 PolarHBondContact N-O 2.81Å; D169-H176 PolarHBondContact O-N 2.82Å; V174-H176 WeakPolarHBondContact CG1-CE1 3.21Å; V174-H176 WeakPolarHBondContact CG2-CE1 3.21Å; V174-H176 VanDerWaalsContact CG2-NE2 3.35Å; V174-H176 WeakPolarHBondContact CG2-NE2 3.45Å; H176-I178 HydrophobicContact CB-CD1 3.67Å; H176-I178 HydrophobicContact CB-CG1 3.66Å; H176-H192 AromaticContact CD2-CE1 3.25Å; H176-H192 PolarHBondContact CD2-CE1 3.18Å; H176-H192 AromaticContact CD2-CG 3.95Å; H176-H192 AromaticContact CD2-ND1 2.99Å; H176-H192 PolarHBondContact CD2-ND1 3.27Å; H176-H192 AromaticContact NE2-CE1 3.17Å; H176-H192 PolarHBondContact NE2-CE1 2.98Å; H176-H192 AromaticContact NE2-ND1 2.96Å; H176-H192 PolarHBondContact NE2-ND1 3.1Å
177V98.3Very high94.7Very high0 Ų024.3 Ų24.30%014%0.137CC..EExtended strand (participates in β ladder)trans-111113.9164.8-174.60000108T166 V167 I168 K191 I193 V299 V300 V303T166-V177 HydrophobicContact CG2-CG1 3.6Å; V167-V177 WeakPolarHBondContact O-CA 3.45Å; I168-V177 HydrophobicContact CG1-CG1 4.44Å; I168-V177 HydrophobicContact CG1-CG2 4.45Å; V177-K191 PolarHBondContact N-O 3.49Å; V177-K191 PolarHBondContact O-N 2.95Å; V177-I193 HydrophobicContact CG2-CD1 4.06Å; V177-V299 HydrophobicContact CG2-CG1 4.05Å; V177-V300 HydrophobicContact CG1-CB 4.37Å; V177-V300 HydrophobicContact CG1-CG2 3.88Å; V177-V300 HydrophobicContact CG2-CG2 3.79Å; V177-V303 HydrophobicContact CB-CG2 3.92Å; V177-V303 HydrophobicContact CG1-CB 3.87Å; V177-V303 HydrophobicContact CG1-CG1 3.89Å; V177-V303 HydrophobicContact CG1-CG2 3.75Å
178I97.7Very high94.5Very high1 Ų129.9 Ų29.91%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-124.3106.1-165.6-50.9166.6000108.8P116 A145 V167 H176 V180 V185 I190P116-I178 HydrophobicContact CB-CG2 4.27Å; P116-I178 HydrophobicContact CG-CD1 3.65Å; P116-I178 HydrophobicContact CG-CG1 4.04Å; P116-I178 HydrophobicContact CG-CG2 4.33Å; A145-I178 HydrophobicContact CB-CB 3.99Å; A145-I178 HydrophobicContact CB-CD1 3.78Å; A145-I178 HydrophobicContact CB-CG1 4.5Å; A145-I178 HydrophobicContact CB-CG2 3.66Å; V167-I178 HydrophobicContact CB-CB 4.43Å; V167-I178 PolarHBondContact N-O 3.33Å; V167-I178 PolarHBondContact O-N 2.92Å; H176-I178 HydrophobicContact CB-CD1 3.67Å; H176-I178 HydrophobicContact CB-CG1 3.66Å; I178-V180 HydrophobicContact CG2-CG2 4.31Å; I178-V185 HydrophobicContact CG2-CG1 3.69Å; I178-V185 HydrophobicContact CG2-CG2 4.34Å; I178-I190 HydrophobicContact CG1-CG2 4.45Å; I178-I190 HydrophobicContact CG2-CD1 4.37Å; I178-I190 HydrophobicContact CG2-CG1 4.31Å
179P98.2Very high94.5Very high0 Ų030.3 Ų30.30%018%0.179CC..EExtended strand (participates in β ladder)trans-78.3130.117330.1-29.5000110.5I186 C189 V303 C307 L315P179-I186 HydrophobicContact CB-CB 4.44Å; P179-I186 HydrophobicContact CB-CD1 4.42Å; P179-I186 HydrophobicContact CG-CB 4.02Å; P179-I186 PolarHBondContact O-N 2.67Å; P179-C189 HydrophobicContact CG-CB 3.76Å; P179-V303 HydrophobicContact CB-CG1 4.01Å; P179-V303 HydrophobicContact CG-CG1 3.63Å; P179-C307 WeakPolarHBondContact CB-SG 3.21Å; P179-L315 HydrophobicContact CB-CD1 4.12Å; P179-L315 HydrophobicContact CB-CD2 4.3Å
180V96.2Very high94.5Very high0 Ų030.3 Ų30.30%018%0.179CC..EExtended strand (participates in β ladder)trans-123.7132.9176.8-169.20000108.5A145 V146 L149 L163 T164 G165 V167 I178 Y184 V185 L315A145-V180 HydrophobicContact CB-CG2 4.1Å; V146-V180 HydrophobicContact CG2-CG1 4.25Å; L149-V180 HydrophobicContact CD1-CB 3.5Å; L149-V180 HydrophobicContact CD1-CG1 3.87Å; L149-V180 HydrophobicContact CD1-CG2 3.64Å; L163-V180 VanDerWaalsContact O-CG1 3.27Å; L163-V180 WeakPolarHBondContact O-CG1 3.37Å; T164-V180 CarbonylContact C-O 3.56Å; T164-V180 VanDerWaalsContact CA-O 3.3Å; T164-V180 WeakPolarHBondContact CA-O 3.38Å; G165-V180 PolarHBondContact N-O 3.18Å; G165-V180 PolarHBondContact O-N 2.76Å; G165-V180 VanDerWaalsContact O-O 3.13Å; V167-V180 HydrophobicContact CG2-CG2 4.47Å; I178-V180 HydrophobicContact CG2-CG2 4.31Å; V180-Y184 CarbonylContact C-O 3.55Å; V180-Y184 WeakPolarHBondContact CA-O 3.4Å; V180-V185 HydrophobicContact CG2-CG2 4.27Å; V180-L315 VanDerWaalsContact O-CD2 3.32Å; V180-L315 WeakPolarHBondContact O-CD2 3.26Å
181A94.6Very high94.5Very high14 Ų1433.7 Ų33.712%0.11619%0.193CC..EExtended strand (participates in β ladder)trans-127.5121.4174.800000109.2T164 G183 Y184 I186 V311T164-A181 HydrophobicContact CG2-CB 4.5Å; A181-G183 PolarHBondContact O-N 3.01Å; A181-G183 VanDerWaalsContact O-N 3.16Å; A181-Y184 PolarHBondContact N-O 3.05Å; A181-Y184 WeakPolarHBondContact O-CA 3.22Å; A181-Y184 WeakPolarHBondContact O-CB 3.44Å; A181-Y184 PolarHBondContact O-N 3.47Å; A181-I186 HydrophobicContact CB-CD1 4.05Å; A181-I186 HydrophobicContact CB-CG1 4.39Å; A181-V311 HydrophobicContact CB-CB 4.39Å; A181-V311 HydrophobicContact CB-CG1 3.9Å
182E90.5Very high94.4Very high126 Ų12637 Ų3759%0.58920%0.202SC*.THydrogen-bonded Turntrans51.838-179.7-53.2-53.8140.200112.6T164 Y184T164-E182 PolarHBondContact OG1-N 3.13Å; T164-E182 PolarHBondContact OG1-OE1 2.74Å; E182-Y184 VanDerWaalsContact C-N 3.25Å; E182-Y184 VanDerWaalsContact O-CD2 3.28Å; E182-Y184 WeakPolarHBondContact O-CD2 3.29Å; E182-Y184 PolarHBondContact O-N 3.12Å
183G90.1Very high94.5Very high3 Ų335.9 Ų35.93%0.03120%0.195CC..THydrogen-bonded Turntrans82.2-8.8-177.400000115.1L163 A181L163-G183 VanDerWaalsContact CB-N 3.34Å; L163-G183 PolarHBondContact O-N 3.44Å; A181-G183 PolarHBondContact O-N 3.01Å; A181-G183 VanDerWaalsContact O-N 3.16Å
184Y90.6Very high94.5Very high148 Ų14838.5 Ų38.558%0.5821%0.211SC*.EExtended strand (participates in β ladder)trans-92.5127.2176.5-62.1-85.6000111.3V180 A181 E182 V413V180-Y184 CarbonylContact C-O 3.55Å; V180-Y184 WeakPolarHBondContact CA-O 3.4Å; A181-Y184 PolarHBondContact N-O 3.05Å; A181-Y184 WeakPolarHBondContact O-CA 3.22Å; A181-Y184 WeakPolarHBondContact O-CB 3.44Å; A181-Y184 PolarHBondContact O-N 3.47Å; E182-Y184 VanDerWaalsContact C-N 3.25Å; E182-Y184 VanDerWaalsContact O-CD2 3.28Å; E182-Y184 WeakPolarHBondContact O-CD2 3.29Å; E182-Y184 PolarHBondContact O-N 3.12Å; Y184-V413 HydrophobicContact CD1-CG2 4.21Å; Y184-V413 HydrophobicContact CE1-CB 4.18Å; Y184-V413 HydrophobicContact CE1-CG1 4.34Å; Y184-V413 HydrophobicContact CE1-CG2 3.85Å
185V92.8Very high94.6Very high43 Ų4337.6 Ų37.626%0.26121%0.205SC..EExtended strand (participates in β ladder)trans-73.1128.5173.7178.50000109.8P116 V143 V146 I178 V180 G187 I190P116-V185 HydrophobicContact CB-CG1 4.08Å; V143-V185 HydrophobicContact CG1-CG2 4.02Å; V146-V185 HydrophobicContact CG2-CG2 4.41Å; I178-V185 HydrophobicContact CG2-CG1 3.69Å; I178-V185 HydrophobicContact CG2-CG2 4.34Å; V180-V185 HydrophobicContact CG2-CG2 4.27Å; V185-G187 VanDerWaalsContact C-N 3.26Å; V185-G187 PolarHBondContact O-N 3.41Å; V185-I190 HydrophobicContact CG1-CD1 3.68Å; V185-I190 HydrophobicContact CG1-CG1 4.21Å
186I95Very high94.6Very high29 Ų2937.6 Ų37.615%0.14921%0.205CC..  trans-84.377174-47.9174.7000108P179 A181 S188 C189 C307 V311P179-I186 HydrophobicContact CB-CB 4.44Å; P179-I186 HydrophobicContact CB-CD1 4.42Å; P179-I186 HydrophobicContact CG-CB 4.02Å; P179-I186 PolarHBondContact O-N 2.67Å; A181-I186 HydrophobicContact CB-CD1 4.05Å; A181-I186 HydrophobicContact CB-CG1 4.39Å; I186-S188 VanDerWaalsContact C-N 3.27Å; I186-S188 PolarHBondContact O-N 2.65Å; I186-S188 VanDerWaalsContact O-N 3.16Å; I186-C189 HydrophobicContact CG2-CB 4.14Å; I186-C189 PolarHBondContact O-N 2.86Å; I186-C307 HydrophobicContact CD1-CB 4.17Å; I186-V311 HydrophobicContact CD1-CG2 3.98Å
187G92.8Very high94.6Very high35 Ų3537.4 Ų37.436%0.36121%0.205SC..G310 helixtrans-53.3-37.8-169.600000114.8V185 C189 I190V185-G187 VanDerWaalsContact C-N 3.26Å; V185-G187 PolarHBondContact O-N 3.41Å; G187-C189 PolarHBondContact O-N 2.94Å; G187-C189 VanDerWaalsContact O-N 3.15Å; G187-I190 WeakPolarHBondContact O-CG1 3.38Å; G187-I190 PolarHBondContact O-N 2.96Å
188S94.5Very high94.4Very high118 Ų11841 Ų4183%0.82522%0.218SC*.G310 helixtrans-65.4-15.9179.558.40000114.5I186I186-S188 VanDerWaalsContact C-N 3.27Å; I186-S188 PolarHBondContact O-N 2.65Å; I186-S188 VanDerWaalsContact O-N 3.16Å
189C97.3Very high94.3Very high8 Ų843.9 Ų43.95%0.05423%0.233CC..G310 helixtrans-106.5-1.1-176.6-61.20000112.7P179 I186 G187 V303 N306P179-C189 HydrophobicContact CG-CB 3.76Å; I186-C189 HydrophobicContact CG2-CB 4.14Å; I186-C189 PolarHBondContact O-N 2.86Å; G187-C189 PolarHBondContact O-N 2.94Å; G187-C189 VanDerWaalsContact O-N 3.15Å; C189-V303 WeakPolarHBondContact O-CG1 3.04Å; C189-V303 WeakPolarHBondContact O-CG2 3.44Å; C189-N306 HydrophobicContact CB-CB 4.42Å; C189-N306 PolarHBondContact SG-O 3.48Å; C189-N306 VanDerWaalsContact SG-O 3.34Å
190I96.7Very high94.3Very high17 Ų1743.9 Ų43.99%0.08723%0.233CC..  trans-63.8140.2179.1-61.9172.4000109.9P116 L117 I178 V185 G187P116-I190 HydrophobicContact CB-CD1 3.65Å; P116-I190 HydrophobicContact CG-CD1 3.81Å; L117-I190 HydrophobicContact CD1-CG2 4.48Å; L117-I190 HydrophobicContact CD2-CD1 3.9Å; L117-I190 HydrophobicContact CG-CD1 4.01Å; I178-I190 HydrophobicContact CG1-CG2 4.45Å; I178-I190 HydrophobicContact CG2-CD1 4.37Å; I178-I190 HydrophobicContact CG2-CG1 4.31Å; V185-I190 HydrophobicContact CG1-CD1 3.68Å; V185-I190 HydrophobicContact CG1-CG1 4.21Å; G187-I190 WeakPolarHBondContact O-CG1 3.38Å; G187-I190 PolarHBondContact O-N 2.96Å
191K96.7Very high94.4Very high72 Ų7244.2 Ų44.231%0.31324%0.236SC..EExtended strand (participates in β ladder)trans-124139.2170.7-69.9-74.3-173.5149.90111.3V177 V299 E302 V303V177-K191 PolarHBondContact N-O 3.49Å; V177-K191 PolarHBondContact O-N 2.95Å; K191-V299 HydrophobicContact CB-CG1 3.63Å; K191-V299 HydrophobicContact CG-CG1 4.19Å; K191-E302 WeakPolarHBondContact CE-OE1 3.23Å; K191-E302 IonicContact NZ-OE1 2.85Å; K191-E302 PolarHBondContact NZ-OE1 2.83Å; K191-E302 IonicContact NZ-OE2 2.77Å; K191-V303 HydrophobicContact CB-CG2 3.61Å; K191-V303 HydrophobicContact CG-CG2 3.37Å
192H93.1Very high94.5Very high96 Ų9648.1 Ų48.144%0.44425%0.248SC..EExtended strand (participates in β ladder)trans-97.8135.9170-58.4-93.4000108.8L117 H176L117-H192 VanDerWaalsContact CD1-NE2 3.28Å; L117-H192 WeakPolarHBondContact CD1-NE2 3.36Å; H176-H192 AromaticContact CD2-CE1 3.25Å; H176-H192 PolarHBondContact CD2-CE1 3.18Å; H176-H192 AromaticContact CD2-CG 3.95Å; H176-H192 AromaticContact CD2-ND1 2.99Å; H176-H192 PolarHBondContact CD2-ND1 3.27Å; H176-H192 AromaticContact NE2-CE1 3.17Å; H176-H192 PolarHBondContact NE2-CE1 2.98Å; H176-H192 AromaticContact NE2-ND1 2.96Å; H176-H192 PolarHBondContact NE2-ND1 3.1Å
193I94Very high94.8Very high5 Ų543 Ų433%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-108124.2172-56.8178.9000106.5T175 V177 I195 F292 I296 V299T175-I193 HydrophobicContact CG2-CB 4.18Å; T175-I193 HydrophobicContact CG2-CD1 4.11Å; T175-I193 HydrophobicContact CG2-CG1 4.45Å; T175-I193 PolarHBondContact O-N 3.48Å; V177-I193 HydrophobicContact CG2-CD1 4.06Å; I193-I195 HydrophobicContact CG2-CB 4.02Å; I193-I195 HydrophobicContact CG2-CG1 4.37Å; I193-I195 PolarHBondContact O-N 3.34Å; I193-F292 HydrophobicContact CG2-CE1 3.74Å; I193-F292 HydrophobicContact CG2-CZ 3.99Å; I193-I296 HydrophobicContact CD1-CB 4.07Å; I193-I296 HydrophobicContact CD1-CD1 3.85Å; I193-I296 HydrophobicContact CD1-CG1 3.57Å; I193-V299 HydrophobicContact CD1-CB 4.01Å; I193-V299 HydrophobicContact CD1-CG1 3.96Å; I193-V299 HydrophobicContact CD1-CG2 4.07Å; I193-V299 HydrophobicContact CG1-CB 4.39Å; I193-V299 HydrophobicContact CG1-CG1 3.95Å; I193-V299 HydrophobicContact CG1-CG2 4.21Å
194P91.9Very high95.1Very high66 Ų6642.9 Ų42.943%0.42922%0.222SC..SBendtrans-77.741.8-177.835.6-37.8000111.7F292P194-F292 HydrophobicContact CG-CB 3.88Å; P194-F292 HydrophobicContact CG-CD1 3.96Å; P194-F292 HydrophobicContact CG-CD2 3.74Å; P194-F292 HydrophobicContact CG-CE2 4.29Å; P194-F292 HydrophobicContact CG-CG 3.56Å
195I94.3Very high95.4Very high3 Ų336.7 Ų36.72%0.01520%0.199CC..  trans-143.7122.9-178.9-62.4-178.7000107.5T175 I193 I281 F282 P285 F292T175-I195 WeakPolarHBondContact CB-O 3.38Å; T175-I195 PolarHBondContact OG1-O 2.85Å; I193-I195 HydrophobicContact CG2-CB 4.02Å; I193-I195 HydrophobicContact CG2-CG1 4.37Å; I193-I195 PolarHBondContact O-N 3.34Å; I195-I281 VanDerWaalsContact CD1-O 3.3Å; I195-I281 WeakPolarHBondContact CD1-O 3.49Å; I195-I281 HydrophobicContact CG2-CD1 3.77Å; I195-I281 HydrophobicContact CG2-CG1 3.73Å; I195-F282 HydrophobicContact CB-CE1 4.39Å; I195-F282 HydrophobicContact CG2-CD1 4.04Å; I195-F282 HydrophobicContact CG2-CE1 3.86Å; I195-F282 HydrophobicContact CG2-CZ 4.27Å; I195-P285 HydrophobicContact CD1-CB 3.29Å; I195-F292 HydrophobicContact CD1-CD1 4.23Å
196A95Very high95.5Very high0 Ų040.2 Ų40.20%021%0.212CC..  trans-144.8-171.3176.500000111.2D172 R198 D199 I200D172-A196 VanDerWaalsContact O-CB 3.29Å; D172-A196 WeakPolarHBondContact O-CB 3.24Å; A196-R198 PolarHBondContact O-N 2.96Å; A196-R198 VanDerWaalsContact O-N 3.15Å; A196-D199 PolarHBondContact N-OD2 2.83Å; A196-D199 PolarHBondContact O-N 3.31Å; A196-D199 VanDerWaalsContact O-N 3.15Å; A196-I200 WeakPolarHBondContact O-CG1 3.26Å; A196-I200 PolarHBondContact O-N 3.49Å; A196-I200 VanDerWaalsContact O-N 3.15Å
197G95.9Very high95.5Very high1 Ų141 Ų411%0.0122%0.217CC..Hα-helixtrans-56.2-33.7-175.800000114G171 D172 T201 K228 S325G171-G197 PolarHBondContact O-N 3.18Å; D172-G197 PolarHBondContact O-N 2.92Å; G197-T201 PolarHBondContact O-N 3.07Å; G197-T201 PolarHBondContact O-OG1 2.72Å; G197-K228 PolarHBondContact O-NZ 3.28Å; G197-S325 VanDerWaalsContact CA-OG 3.23Å; G197-S325 WeakPolarHBondContact CA-OG 3.42Å; G197-S325 PolarHBondContact N-OG 2.85Å
198R95.2Very high95.7Very high76 Ų7639.4 Ų39.429%0.28720%0.2SC..Hα-helixtrans-71.5-43178.3-171169.5-62.1-154.11.2112.1D172 A196 I200 T201 Y202D172-R198 WeakPolarHBondContact O-CB 3.29Å; D172-R198 PolarHBondContact O-N 3.14Å; D172-R198 IonicContact OD2-CZ 3.38Å; D172-R198 IonicContact OD2-NE 3.1Å; D172-R198 PolarHBondContact OD2-NE 2.78Å; D172-R198 VanDerWaalsContact OD2-NE 3.14Å; D172-R198 IonicContact OD2-NH2 2.71Å; D172-R198 PolarHBondContact OD2-NH2 3.39Å; A196-R198 PolarHBondContact O-N 2.96Å; A196-R198 VanDerWaalsContact O-N 3.15Å; R198-I200 VanDerWaalsContact C-N 3.33Å; R198-I200 PolarHBondContact O-N 3.06Å; R198-T201 WeakPolarHBondContact O-CA 3.16Å; R198-T201 VanDerWaalsContact O-CB 3.27Å; R198-T201 WeakPolarHBondContact O-CB 3.41Å; R198-T201 PolarHBondContact O-N 3.47Å; R198-Y202 HydrophobicContact CG-CD2 3.99Å; R198-Y202 HydrophobicContact CG-CE2 3.45Å; R198-Y202 VanDerWaalsContact CG-CE2 3.45Å; R198-Y202 WeakPolarHBondContact O-CD2 3.13Å; R198-Y202 PolarHBondContact O-N 2.88Å
199D95.9Very high95.5Very high61 Ų6140.5 Ų40.533%0.32619%0.186SC..Hα-helixtrans-62-41.9177-51.9-67.7000111.3A196 T201 Y202 F203A196-D199 PolarHBondContact N-OD2 2.83Å; A196-D199 PolarHBondContact O-N 3.31Å; A196-D199 VanDerWaalsContact O-N 3.15Å; D199-T201 PolarHBondContact O-N 3.35Å; D199-Y202 PolarHBondContact O-N 3.08Å; D199-F203 WeakPolarHBondContact O-CB 3.34Å; D199-F203 PolarHBondContact O-N 3.24Å
200I97.4Very high94.9Very high0 Ų047 Ų470%022%0.22CC..Hα-helixtrans-60.5-37.6173.5-60.3166.7000110.9A196 R198 F203 I204 K228 I281 F282 F328A196-I200 WeakPolarHBondContact O-CG1 3.26Å; A196-I200 PolarHBondContact O-N 3.49Å; A196-I200 VanDerWaalsContact O-N 3.15Å; R198-I200 VanDerWaalsContact C-N 3.33Å; R198-I200 PolarHBondContact O-N 3.06Å; I200-F203 PolarHBondContact O-N 2.91Å; I200-I204 HydrophobicContact CG2-CD1 3.87Å; I200-I204 HydrophobicContact CG2-CG1 4.48Å; I200-I204 WeakPolarHBondContact O-CB 3.41Å; I200-I204 VanDerWaalsContact O-CG1 3.3Å; I200-I204 WeakPolarHBondContact O-CG1 3.47Å; I200-I204 PolarHBondContact O-N 3.37Å; I200-K228 HydrophobicContact CB-CD 4.06Å; I200-K228 HydrophobicContact CG2-CD 3.69Å; I200-K228 HydrophobicContact CG2-CG 3.9Å; I200-I281 HydrophobicContact CB-CD1 4.26Å; I200-I281 HydrophobicContact CG1-CD1 3.56Å; I200-I281 HydrophobicContact CG1-CG1 4Å; I200-F282 HydrophobicContact CD1-CD2 4.12Å; I200-F282 HydrophobicContact CD1-CE2 3.41Å; I200-F282 VanDerWaalsContact CD1-CE2 3.41Å; I200-F282 HydrophobicContact CD1-CZ 4Å; I200-F328 HydrophobicContact CD1-CE2 3.67Å; I200-F328 HydrophobicContact CD1-CZ 4.07Å; I200-F328 HydrophobicContact CG2-CZ 4.35Å
201T97.5Very high94.5Very high8 Ų850.8 Ų50.85%0.04923%0.234CC..Hα-helixtrans-68.4-43.3179.5-50.70000110.7G197 R198 D199 I204 Q205 L221 A224 K225 K228G197-T201 PolarHBondContact O-N 3.07Å; G197-T201 PolarHBondContact O-OG1 2.72Å; R198-T201 WeakPolarHBondContact O-CA 3.16Å; R198-T201 VanDerWaalsContact O-CB 3.27Å; R198-T201 WeakPolarHBondContact O-CB 3.41Å; R198-T201 PolarHBondContact O-N 3.47Å; D199-T201 PolarHBondContact O-N 3.35Å; T201-I204 PolarHBondContact O-N 2.54Å; T201-Q205 VanDerWaalsContact O-CB 3.28Å; T201-Q205 WeakPolarHBondContact O-CB 3.38Å; T201-Q205 PolarHBondContact O-N 2.94Å; T201-L221 HydrophobicContact CG2-CD1 3.78Å; T201-A224 HydrophobicContact CG2-CB 4.09Å; T201-K225 HydrophobicContact CG2-CB 3.82Å; T201-K228 WeakPolarHBondContact OG1-CD 3.39Å; T201-K228 WeakPolarHBondContact OG1-CE 3.17Å; T201-K228 PolarHBondContact OG1-NZ 3.19Å
202Y96.4Very high94.1Very high95 Ų9548.8 Ų48.837%0.37323%0.225SC..Hα-helixtrans-65.2-39.6175.4-69.4-45000112.2R198 D199 Q205 Q206 L221R198-Y202 HydrophobicContact CG-CD2 3.99Å; R198-Y202 HydrophobicContact CG-CE2 3.45Å; R198-Y202 VanDerWaalsContact CG-CE2 3.45Å; R198-Y202 WeakPolarHBondContact O-CD2 3.13Å; R198-Y202 PolarHBondContact O-N 2.88Å; D199-Y202 PolarHBondContact O-N 3.08Å; Y202-Q205 WeakPolarHBondContact O-CB 3.26Å; Y202-Q205 PolarHBondContact O-N 2.88Å; Y202-Q206 WeakPolarHBondContact O-CG 3.23Å; Y202-Q206 PolarHBondContact O-N 3.31Å; Y202-L221 HydrophobicContact CD1-CD1 3.68Å; Y202-L221 HydrophobicContact CE1-CD1 3.52Å; Y202-L221 HydrophobicContact CE1-CD2 4.27Å
203F96.8Very high93.6Very high19 Ų1951.2 Ų51.28%0.08325%0.246CC..Hα-helixtrans-63.3-47.8175.9-177.5-121.1000111.7D199 I200 Q205 Q206 L207 L277 I281 F287 A288D199-F203 WeakPolarHBondContact O-CB 3.34Å; D199-F203 PolarHBondContact O-N 3.24Å; I200-F203 PolarHBondContact O-N 2.91Å; F203-Q205 VanDerWaalsContact C-N 3.28Å; F203-Q205 PolarHBondContact O-N 3.43Å; F203-Q206 PolarHBondContact O-N 2.86Å; F203-L207 HydrophobicContact CD1-CD1 4.15Å; F203-L207 HydrophobicContact CE1-CD1 3.74Å; F203-L207 HydrophobicContact CE1-CG 4.48Å; F203-L207 HydrophobicContact CE2-CD1 4.5Å; F203-L207 HydrophobicContact CE2-CD2 4.43Å; F203-L207 HydrophobicContact CE2-CG 4.41Å; F203-L207 HydrophobicContact CZ-CD1 3.93Å; F203-L207 HydrophobicContact CZ-CD2 4.32Å; F203-L207 HydrophobicContact CZ-CG 4.29Å; F203-L207 WeakPolarHBondContact O-CG 3.24Å; F203-L207 PolarHBondContact O-N 2.93Å; F203-L277 HydrophobicContact CE1-CB 4.08Å; F203-L277 WeakPolarHBondContact CE1-O 3Å; F203-I281 HydrophobicContact CD1-CG2 3.49Å; F203-I281 VanDerWaalsContact CD1-CG2 3.49Å; F203-I281 HydrophobicContact CE1-CG2 3.53Å; F203-I281 HydrophobicContact CG-CG2 4.15Å; F203-I281 HydrophobicContact CZ-CG2 4.24Å; F203-F287 HydrophobicContact CE2-CB 4.41Å; F203-F287 VanDerWaalsContact CE2-O 3.27Å; F203-F287 WeakPolarHBondContact CE2-O 3.4Å; F203-F287 HydrophobicContact CZ-CB 3.99Å; F203-A288 HydrophobicContact CB-CB 4.32Å; F203-A288 HydrophobicContact CD2-CB 3.99Å; F203-A288 HydrophobicContact CG-CB 4.14Å
204I97.4Very high93.3Very high0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-60.7-39.7174-70.7169.9000111.1I200 T201 Q206 L207 L208 A224 V227 K228 E274I200-I204 HydrophobicContact CG2-CD1 3.87Å; I200-I204 HydrophobicContact CG2-CG1 4.48Å; I200-I204 WeakPolarHBondContact O-CB 3.41Å; I200-I204 VanDerWaalsContact O-CG1 3.3Å; I200-I204 WeakPolarHBondContact O-CG1 3.47Å; I200-I204 PolarHBondContact O-N 3.37Å; T201-I204 PolarHBondContact O-N 2.54Å; I204-Q206 VanDerWaalsContact C-N 3.31Å; I204-Q206 PolarHBondContact O-N 3.25Å; I204-L207 PolarHBondContact O-N 3.16Å; I204-L208 HydrophobicContact CG2-CD1 3.82Å; I204-L208 HydrophobicContact CG2-CG 4.19Å; I204-L208 WeakPolarHBondContact O-CB 3.48Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; I204-L208 PolarHBondContact O-N 2.88Å; I204-A224 HydrophobicContact CG2-CB 4.09Å; I204-V227 HydrophobicContact CG2-CB 4.4Å; I204-V227 HydrophobicContact CG2-CG1 3.98Å; I204-K228 HydrophobicContact CD1-CB 3.57Å; I204-K228 HydrophobicContact CD1-CG 3.8Å; I204-E274 HydrophobicContact CG1-CB 4.32Å; I204-E274 HydrophobicContact CG2-CB 4.24Å; I204-E274 HydrophobicContact CG2-CG 4.39Å
205Q96.9Very high93.4Very high18 Ų1850.8 Ų50.88%0.08425%0.251CS..Hα-helixtrans-59-43.3177.1-178.3-178.343.400111.7T201 Y202 F203 L208 R209 S220 A224T201-Q205 VanDerWaalsContact O-CB 3.28Å; T201-Q205 WeakPolarHBondContact O-CB 3.38Å; T201-Q205 PolarHBondContact O-N 2.94Å; Y202-Q205 WeakPolarHBondContact O-CB 3.26Å; Y202-Q205 PolarHBondContact O-N 2.88Å; F203-Q205 VanDerWaalsContact C-N 3.28Å; F203-Q205 PolarHBondContact O-N 3.43Å; Q205-L208 PolarHBondContact O-N 3.46Å; Q205-R209 WeakPolarHBondContact O-CB 3.44Å; Q205-R209 VanDerWaalsContact O-CG 3.26Å; Q205-R209 WeakPolarHBondContact O-CG 3.1Å; Q205-R209 PolarHBondContact O-N 3.49Å; Q205-S220 WeakPolarHBondContact CG-OG 3.26Å; Q205-S220 PolarHBondContact NE2-OG 3.36Å; Q205-A224 HydrophobicContact CB-CB 3.65Å; Q205-A224 HydrophobicContact CG-CB 4.37Å
206Q95.1Very high93.3Very high117 Ų11751 Ų5155%0.54725%0.253SS..Hα-helixtrans-63.4-50.4176.4-71.3174-7.400110.9Y202 F203 I204 L208 R209 D210Y202-Q206 WeakPolarHBondContact O-CG 3.23Å; Y202-Q206 PolarHBondContact O-N 3.31Å; F203-Q206 PolarHBondContact O-N 2.86Å; I204-Q206 VanDerWaalsContact C-N 3.31Å; I204-Q206 PolarHBondContact O-N 3.25Å; Q206-L208 VanDerWaalsContact C-N 3.26Å; Q206-L208 PolarHBondContact O-N 3.21Å; Q206-R209 PolarHBondContact O-N 3.45Å; Q206-R209 VanDerWaalsContact O-N 3.12Å; Q206-D210 PolarHBondContact O-N 3.36Å
207L95Very high93.1Very high45 Ų4556.3 Ų56.324%0.23629%0.287CS..Hα-helixtrans-56.3-39.1178-66.6177.7000113F203 I204 E274 L277F203-L207 HydrophobicContact CD1-CD1 4.15Å; F203-L207 HydrophobicContact CE1-CD1 3.74Å; F203-L207 HydrophobicContact CE1-CG 4.48Å; F203-L207 HydrophobicContact CE2-CD1 4.5Å; F203-L207 HydrophobicContact CE2-CD2 4.43Å; F203-L207 HydrophobicContact CE2-CG 4.41Å; F203-L207 HydrophobicContact CZ-CD1 3.93Å; F203-L207 HydrophobicContact CZ-CD2 4.32Å; F203-L207 HydrophobicContact CZ-CG 4.29Å; F203-L207 WeakPolarHBondContact O-CG 3.24Å; F203-L207 PolarHBondContact O-N 2.93Å; I204-L207 PolarHBondContact O-N 3.16Å; L207-E274 HydrophobicContact CB-CB 4.19Å; L207-E274 HydrophobicContact CD1-CB 3.85Å; L207-L277 HydrophobicContact CD1-CB 4Å; L207-L277 HydrophobicContact CD1-CD1 4.2Å
208L96Very high92.7Very high2 Ų261 Ų611%0.0131%0.309CS..Hα-helixtrans-71.3-43.2177.4-74.1176.1000112.1I204 Q205 Q206 D210 R211 E212 I215 A224 V227 I269 E274I204-L208 HydrophobicContact CG2-CD1 3.82Å; I204-L208 HydrophobicContact CG2-CG 4.19Å; I204-L208 WeakPolarHBondContact O-CB 3.48Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; I204-L208 PolarHBondContact O-N 2.88Å; Q205-L208 PolarHBondContact O-N 3.46Å; Q206-L208 VanDerWaalsContact C-N 3.26Å; Q206-L208 PolarHBondContact O-N 3.21Å; L208-D210 VanDerWaalsContact C-N 3.25Å; L208-D210 PolarHBondContact O-N 3.13Å; L208-R211 PolarHBondContact O-N 2.99Å; L208-R211 VanDerWaalsContact O-N 3.16Å; L208-E212 HydrophobicContact CD2-CG 4.28Å; L208-E212 WeakPolarHBondContact O-CB 3.38Å; L208-E212 PolarHBondContact O-N 2.93Å; L208-I215 HydrophobicContact CB-CD1 3.74Å; L208-I215 HydrophobicContact CD1-CD1 4.21Å; L208-I215 HydrophobicContact CG-CD1 4.42Å; L208-A224 HydrophobicContact CD1-CB 4.38Å; L208-V227 HydrophobicContact CD1-CB 4.35Å; L208-V227 HydrophobicContact CD1-CG1 4.44Å; L208-V227 HydrophobicContact CD1-CG2 4.13Å; L208-I269 HydrophobicContact CD1-CD1 4.35Å; L208-I269 HydrophobicContact CD2-CD1 4.16Å; L208-E274 HydrophobicContact CD2-CG 4.05Å; L208-E274 WeakPolarHBondContact CD2-OE1 3.31Å; L208-E274 HydrophobicContact CG-CG 4.4Å
209R90.5Very high92.6Very high142 Ų14258.2 Ų58.254%0.53630%0.299SS..Hα-helixtrans-60.6-35.6-179.5-79.3174.5-179.3-169.20.9112.7Q205 Q206 R211 S220Q205-R209 WeakPolarHBondContact O-CB 3.44Å; Q205-R209 VanDerWaalsContact O-CG 3.26Å; Q205-R209 WeakPolarHBondContact O-CG 3.1Å; Q205-R209 PolarHBondContact O-N 3.49Å; Q206-R209 PolarHBondContact O-N 3.45Å; Q206-R209 VanDerWaalsContact O-N 3.12Å; R209-R211 PolarHBondContact O-N 3.01Å; R209-S220 PolarHBondContact NE-OG 2.99Å; R209-S220 PolarHBondContact NH2-OG 3.24Å
210D85.3Confident92.5Very high144 Ų14455.6 Ų55.677%0.7729%0.285SS*.THydrogen-bonded Turntrans-69.9-19.9-178.9-66.9-15.4000112.9Q206 L208Q206-D210 PolarHBondContact O-N 3.36Å; L208-D210 VanDerWaalsContact C-N 3.25Å; L208-D210 PolarHBondContact O-N 3.13Å
211R88.9Confident92.3Very high97 Ų9759.1 Ų59.137%0.36630%0.304SS..THydrogen-bonded Turntrans-116.7-38-174.3-160.4-17478.9-123.51.8114.1L208 R209 D270 E274L208-R211 PolarHBondContact O-N 2.99Å; L208-R211 VanDerWaalsContact O-N 3.16Å; R209-R211 PolarHBondContact O-N 3.01Å; R211-D270 PolarHBondContact NH2-O 3.28Å; R211-E274 IonicContact CZ-OE1 3.66Å; R211-E274 VanDerWaalsContact NH1-CD 3.31Å; R211-E274 IonicContact NH1-OE1 2.99Å; R211-E274 PolarHBondContact NH1-OE1 2.79Å; R211-E274 IonicContact NH1-OE2 2.89Å; R211-E274 PolarHBondContact NH1-OE2 2.86Å; R211-E274 IonicContact NH2-OE1 3.41Å; R211-E274 PolarHBondContact NH2-OE1 2.87Å
212E87.8Confident92.1Very high30 Ų3064.3 Ų64.314%0.1433%0.328CS..  trans-11192-166.8-60.7-62.2145.300111.8L208 G214 I215 I269 D270L208-E212 HydrophobicContact CD2-CG 4.28Å; L208-E212 WeakPolarHBondContact O-CB 3.38Å; L208-E212 PolarHBondContact O-N 2.93Å; E212-G214 PolarHBondContact O-N 3.17Å; E212-I215 HydrophobicContact CB-CD1 3.88Å; E212-I215 HydrophobicContact CB-CG1 4.03Å; E212-I269 HydrophobicContact CB-CB 4.3Å; E212-I269 HydrophobicContact CB-CG2 4.08Å; E212-I269 HydrophobicContact CG-CB 4.03Å; E212-I269 HydrophobicContact CG-CG2 4.37Å; E212-D270 PolarHBondContact OE2-N 3.3Å
213V82.7Confident92.1Very high146 Ų14659.9 Ų59.989%0.88531%0.31SS*.THydrogen-bonded Turntrans-70-15.5178.2-170.10000112.4I215V213-I215 VanDerWaalsContact C-N 3.31Å; V213-I215 PolarHBondContact O-N 2.9Å
214G87.5Confident92.1Very high46 Ų4659 Ų5947%0.47431%0.306SS..THydrogen-bonded Turntrans-76.8-9.8-17700000115.3E212 P216E212-G214 PolarHBondContact O-N 3.17Å; G214-P216 WeakPolarHBondContact O-CD 3.38Å
215I93.7Very high92.1Very high17 Ų1762 Ų629%0.08732%0.32CS..SBendtrans-75.2123.4-178.4-56.4177.2000109.4L208 E212 V213 T223 I269L208-I215 HydrophobicContact CB-CD1 3.74Å; L208-I215 HydrophobicContact CD1-CD1 4.21Å; L208-I215 HydrophobicContact CG-CD1 4.42Å; E212-I215 HydrophobicContact CB-CD1 3.88Å; E212-I215 HydrophobicContact CB-CG1 4.03Å; V213-I215 VanDerWaalsContact C-N 3.31Å; V213-I215 PolarHBondContact O-N 2.9Å; I215-T223 HydrophobicContact CD1-CG2 4.21Å; I215-T223 HydrophobicContact CG1-CG2 4.44Å; I215-T223 HydrophobicContact CG2-CG2 4.17Å; I215-I269 HydrophobicContact CD1-CD1 3.72Å; I215-I269 HydrophobicContact CD1-CG2 4.34Å; I215-I269 HydrophobicContact CG1-CD1 4Å; I215-I269 HydrophobicContact CG1-CG2 3.6Å
216P92.5Very high92.1Very high8 Ų861.9 Ų61.95%0.05232%0.321CS..  trans-57.6127.7173.4-24.435000111.3G214 E218 Q219 S220 N260 F267G214-P216 WeakPolarHBondContact O-CD 3.38Å; P216-E218 HydrophobicContact CB-CG 4.48Å; P216-E218 WeakPolarHBondContact CB-OE1 3.47Å; P216-E218 PolarHBondContact O-N 2.68Å; P216-E218 VanDerWaalsContact O-N 3.17Å; P216-Q219 HydrophobicContact CB-CB 4.28Å; P216-Q219 CarbonylContact O-C 3.55Å; P216-Q219 PolarHBondContact O-N 3.39Å; P216-S220 PolarHBondContact O-N 2.94Å; P216-S220 VanDerWaalsContact O-N 3.12Å; P216-N260 WeakPolarHBondContact CB-ND2 3.42Å; P216-N260 HydrophobicContact CG-CB 4.06Å; P216-N260 WeakPolarHBondContact CG-ND2 3.42Å; P216-F267 HydrophobicContact CG-CD1 3.75Å; P216-F267 HydrophobicContact CG-CE1 3.79Å; P216-F267 HydrophobicContact CG-CG 4.21Å; P216-F267 HydrophobicContact CG-CZ 4.29Å
217P90.3Very high92.2Very high111 Ų11156.3 Ų56.372%0.72130%0.295SS*.G310 helixtrans-53.5-39.6-177-28.835.6000113.4Q219 S220P217-Q219 VanDerWaalsContact C-N 3.3Å; P217-Q219 PolarHBondContact O-N 3.06Å; P217-S220 WeakPolarHBondContact O-CB 3.24Å; P217-S220 PolarHBondContact O-N 2.92Å
218E88.4Confident92.3Very high98 Ų9854.8 Ų54.846%0.45829%0.287SS..G310 helixtrans-67.5-24.9178.867.2-81.2-170.100113.9P216 N260 I262P216-E218 HydrophobicContact CB-CG 4.48Å; P216-E218 WeakPolarHBondContact CB-OE1 3.47Å; P216-E218 PolarHBondContact O-N 2.68Å; P216-E218 VanDerWaalsContact O-N 3.17Å; E218-N260 PolarHBondContact OE1-ND2 3.34Å; E218-I262 HydrophobicContact CG-CD1 3.98Å; E218-I262 HydrophobicContact CG-CG1 4.44Å
219Q91.9Very high92.4Very high19 Ų1960.1 Ų60.19%0.08931%0.312CS..G310 helixtrans-107.711.8179.1-71.7175-73.700112.9P216 P217 L221 E222 T223 I259 A261P216-Q219 HydrophobicContact CB-CB 4.28Å; P216-Q219 CarbonylContact O-C 3.55Å; P216-Q219 PolarHBondContact O-N 3.39Å; P217-Q219 VanDerWaalsContact C-N 3.3Å; P217-Q219 PolarHBondContact O-N 3.06Å; Q219-L221 VanDerWaalsContact C-N 3.31Å; Q219-L221 PolarHBondContact O-N 3Å; Q219-E222 PolarHBondContact NE2-OE2 2.93Å; Q219-E222 PolarHBondContact O-N 2.94Å; Q219-T223 VanDerWaalsContact O-CB 3.27Å; Q219-T223 WeakPolarHBondContact O-CB 3.33Å; Q219-T223 PolarHBondContact O-N 3.42Å; Q219-T223 PolarHBondContact O-OG1 3.44Å; Q219-I259 PolarHBondContact NE2-O 2.84Å; Q219-I259 PolarHBondContact OE1-O 3.34Å; Q219-A261 HydrophobicContact CG-CB 4.39Å
220S94.1Very high92.7Very high5 Ų561.2 Ų61.24%0.03532%0.316CS..Hα-helixtrans-58.3-41.8-175.8177.20000112.5Q205 R209 P216 P217 A224Q205-S220 WeakPolarHBondContact CG-OG 3.26Å; Q205-S220 PolarHBondContact NE2-OG 3.36Å; R209-S220 PolarHBondContact NE-OG 2.99Å; R209-S220 PolarHBondContact NH2-OG 3.24Å; P216-S220 PolarHBondContact O-N 2.94Å; P216-S220 VanDerWaalsContact O-N 3.12Å; P217-S220 WeakPolarHBondContact O-CB 3.24Å; P217-S220 PolarHBondContact O-N 2.92Å; S220-A224 WeakPolarHBondContact O-CB 3.34Å; S220-A224 PolarHBondContact O-N 3.5Å; S220-A224 VanDerWaalsContact O-N 3.14Å
221L93.5Very high93.2Very high75 Ų7557 Ų5739%0.39329%0.289SS..Hα-helixtrans-74.8-42-179.5-172.365.1000112.2T201 Y202 Q219 T223 A224 K225T201-L221 HydrophobicContact CG2-CD1 3.78Å; Y202-L221 HydrophobicContact CD1-CD1 3.68Å; Y202-L221 HydrophobicContact CE1-CD1 3.52Å; Y202-L221 HydrophobicContact CE1-CD2 4.27Å; Q219-L221 VanDerWaalsContact C-N 3.31Å; Q219-L221 PolarHBondContact O-N 3Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.34Å; L221-A224 PolarHBondContact O-N 2.85Å; L221-K225 WeakPolarHBondContact O-CB 3.47Å; L221-K225 PolarHBondContact O-N 2.91Å
222E93.2Very high93.7Very high117 Ų11753 Ų5355%0.54728%0.277SS..Hα-helixtrans-60.7-43.9176.6-172.8-169.8177.100111Q219 K225 A226Q219-E222 PolarHBondContact NE2-OE2 2.93Å; Q219-E222 PolarHBondContact O-N 2.94Å; E222-K225 WeakPolarHBondContact O-CB 3.33Å; E222-K225 PolarHBondContact O-N 3.44Å; E222-A226 WeakPolarHBondContact O-CB 3.5Å; E222-A226 PolarHBondContact O-N 2.91Å
223T96Very high94.2Very high1 Ų152 Ų521%0.00627%0.272CS..Hα-helixtrans-61.8-47.1176.5-59.50000111I215 Q219 L221 K225 A226 V227 Y256 F267 I269I215-T223 HydrophobicContact CD1-CG2 4.21Å; I215-T223 HydrophobicContact CG1-CG2 4.44Å; I215-T223 HydrophobicContact CG2-CG2 4.17Å; Q219-T223 VanDerWaalsContact O-CB 3.27Å; Q219-T223 WeakPolarHBondContact O-CB 3.33Å; Q219-T223 PolarHBondContact O-N 3.42Å; Q219-T223 PolarHBondContact O-OG1 3.44Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.34Å; T223-K225 VanDerWaalsContact C-N 3.31Å; T223-K225 PolarHBondContact O-N 3.17Å; T223-A226 PolarHBondContact O-N 2.82Å; T223-V227 WeakPolarHBondContact O-CB 3.42Å; T223-V227 WeakPolarHBondContact O-CG2 3.5Å; T223-V227 PolarHBondContact O-N 2.67Å; T223-Y256 HydrophobicContact CG2-CD1 3.95Å; T223-Y256 HydrophobicContact CG2-CE1 3.78Å; T223-F267 HydrophobicContact CG2-CE2 4.3Å; T223-I269 HydrophobicContact CG2-CD1 3.67Å
224A97.6Very high94.9Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-60.7-40.2177.100000112.2T201 I204 Q205 L208 S220 L221 V227 K228T201-A224 HydrophobicContact CG2-CB 4.09Å; I204-A224 HydrophobicContact CG2-CB 4.09Å; Q205-A224 HydrophobicContact CB-CB 3.65Å; Q205-A224 HydrophobicContact CG-CB 4.37Å; L208-A224 HydrophobicContact CD1-CB 4.38Å; S220-A224 WeakPolarHBondContact O-CB 3.34Å; S220-A224 PolarHBondContact O-N 3.5Å; S220-A224 VanDerWaalsContact O-N 3.14Å; L221-A224 PolarHBondContact O-N 2.85Å; A224-V227 PolarHBondContact O-N 2.98Å; A224-K228 WeakPolarHBondContact O-CB 3.28Å; A224-K228 PolarHBondContact O-N 3.47Å
225K96.7Very high95.3Very high65 Ų6543 Ų4328%0.28321%0.207SC..Hα-helixtrans-64.5-45.7175.4-176.9-180178.9177.60111.9Y16 T201 L221 E222 T223 V227 K228 E229Y16-K225 WeakPolarHBondContact OH-CE 3.01Å; Y16-K225 PolarHBondContact OH-NZ 3.14Å; T201-K225 HydrophobicContact CG2-CB 3.82Å; L221-K225 WeakPolarHBondContact O-CB 3.47Å; L221-K225 PolarHBondContact O-N 2.91Å; E222-K225 WeakPolarHBondContact O-CB 3.33Å; E222-K225 PolarHBondContact O-N 3.44Å; T223-K225 VanDerWaalsContact C-N 3.31Å; T223-K225 PolarHBondContact O-N 3.17Å; K225-V227 VanDerWaalsContact C-N 3.31Å; K225-V227 PolarHBondContact O-N 2.54Å; K225-K228 WeakPolarHBondContact O-CB 3.39Å; K225-K228 PolarHBondContact O-N 2.91Å; K225-E229 WeakPolarHBondContact CE-OE1 3.37Å; K225-E229 WeakPolarHBondContact CG-OE1 3.47Å; K225-E229 WeakPolarHBondContact O-CG 3.38Å; K225-E229 PolarHBondContact O-N 2.87Å
226A97Very high95.3Very high14 Ų1445.7 Ų45.712%0.11623%0.226CC..Hα-helixtrans-62-40.7176.700000111.5E222 T223 R230 Y256E222-A226 WeakPolarHBondContact O-CB 3.5Å; E222-A226 PolarHBondContact O-N 2.91Å; T223-A226 PolarHBondContact O-N 2.82Å; A226-R230 VanDerWaalsContact O-CB 3.25Å; A226-R230 WeakPolarHBondContact O-CB 3.36Å; A226-R230 WeakPolarHBondContact O-CG 3.33Å; A226-R230 PolarHBondContact O-N 3.38Å; A226-Y256 HydrophobicContact CB-CE2 3.72Å
227V97.8Very high95.5Very high0 Ų047.8 Ų47.80%024%0.237CC..Hα-helixtrans-61.8-48.8174.7165.10000111.1I204 L208 T223 A224 K225 E229 R230 Y231 Y256 I269 V271 E274I204-V227 HydrophobicContact CG2-CB 4.4Å; I204-V227 HydrophobicContact CG2-CG1 3.98Å; L208-V227 HydrophobicContact CD1-CB 4.35Å; L208-V227 HydrophobicContact CD1-CG1 4.44Å; L208-V227 HydrophobicContact CD1-CG2 4.13Å; T223-V227 WeakPolarHBondContact O-CB 3.42Å; T223-V227 WeakPolarHBondContact O-CG2 3.5Å; T223-V227 PolarHBondContact O-N 2.67Å; A224-V227 PolarHBondContact O-N 2.98Å; K225-V227 VanDerWaalsContact C-N 3.31Å; K225-V227 PolarHBondContact O-N 2.54Å; V227-E229 PolarHBondContact O-N 3.5Å; V227-R230 PolarHBondContact O-N 3.33Å; V227-Y231 HydrophobicContact CB-CD2 4.47Å; V227-Y231 HydrophobicContact CG1-CD2 4.38Å; V227-Y231 HydrophobicContact CG2-CD2 4.42Å; V227-Y231 WeakPolarHBondContact O-CB 3.46Å; V227-Y231 PolarHBondContact O-N 2.93Å; V227-Y256 HydrophobicContact CG2-CG 4.26Å; V227-I269 HydrophobicContact CG2-CD1 4.39Å; V227-V271 HydrophobicContact CG1-CG1 3.59Å; V227-V271 HydrophobicContact CG2-CG1 4.5Å; V227-V271 HydrophobicContact CG2-CG2 3.98Å; V227-E274 HydrophobicContact CG1-CG 4.16Å
228K97.9Very high95.7Very high14 Ų1443.7 Ų43.76%0.06121%0.209CC..Hα-helixtrans-53.4-53.4176.2-176.6-170.770.2179.70111.6G197 I200 T201 I204 A224 K225 R230 S232 F328G197-K228 PolarHBondContact O-NZ 3.28Å; I200-K228 HydrophobicContact CB-CD 4.06Å; I200-K228 HydrophobicContact CG2-CD 3.69Å; I200-K228 HydrophobicContact CG2-CG 3.9Å; T201-K228 WeakPolarHBondContact OG1-CD 3.39Å; T201-K228 WeakPolarHBondContact OG1-CE 3.17Å; T201-K228 PolarHBondContact OG1-NZ 3.19Å; I204-K228 HydrophobicContact CD1-CB 3.57Å; I204-K228 HydrophobicContact CD1-CG 3.8Å; A224-K228 WeakPolarHBondContact O-CB 3.28Å; A224-K228 PolarHBondContact O-N 3.47Å; K225-K228 WeakPolarHBondContact O-CB 3.39Å; K225-K228 PolarHBondContact O-N 2.91Å; K228-R230 PolarHBondContact O-N 3.15Å; K228-S232 WeakPolarHBondContact CA-OG 3.43Å; K228-S232 WeakPolarHBondContact O-CB 3.28Å; K228-S232 PolarHBondContact O-N 3.32Å; K228-S232 PolarHBondContact O-OG 3.32Å; K228-F328 HydrophobicContact CD-CZ 4.27Å; K228-F328 HydrophobicContact CG-CE1 4Å; K228-F328 HydrophobicContact CG-CZ 3.91Å
229E96.5Very high96Very high114 Ų11443.8 Ų43.853%0.53322%0.216SC..Hα-helixtrans-72.9-29-172.7-69.4175.3-170.100113K225 V227K225-E229 WeakPolarHBondContact CE-OE1 3.37Å; K225-E229 WeakPolarHBondContact CG-OE1 3.47Å; K225-E229 WeakPolarHBondContact O-CG 3.38Å; K225-E229 PolarHBondContact O-N 2.87Å; V227-E229 PolarHBondContact O-N 3.5Å
230R97.1Very high96.2Very high164 Ų16449.1 Ų49.162%0.61924%0.239SC*.Hα-helixtrans-92.7-35.6-176.8-66.9178.1-176.9-168.34114.1A226 V227 K228A226-R230 VanDerWaalsContact O-CB 3.25Å; A226-R230 WeakPolarHBondContact O-CB 3.36Å; A226-R230 WeakPolarHBondContact O-CG 3.33Å; A226-R230 PolarHBondContact O-N 3.38Å; V227-R230 PolarHBondContact O-N 3.33Å; K228-R230 PolarHBondContact O-N 3.15Å
231Y97.5Very high96.3Very high55 Ų5549.2 Ų49.222%0.21624%0.239CC..Hα-helixtrans-120.1-13.3-165.2-57.2-60.4000114.8V227 Y233 K254 Q255 Y256 V271 R275V227-Y231 HydrophobicContact CB-CD2 4.47Å; V227-Y231 HydrophobicContact CG1-CD2 4.38Å; V227-Y231 HydrophobicContact CG2-CD2 4.42Å; V227-Y231 WeakPolarHBondContact O-CB 3.46Å; V227-Y231 PolarHBondContact O-N 2.93Å; Y231-Y233 WeakPolarHBondContact O-CD1 3.33Å; Y231-K254 HydrophobicContact CD1-CB 4.34Å; Y231-K254 HydrophobicContact CD1-CG 4.45Å; Y231-K254 HydrophobicContact CE1-CB 4.32Å; Y231-Q255 PolarHBondContact OH-O 2.96Å; Y231-Q255 VanDerWaalsContact OH-O 3.06Å; Y231-Y256 AromaticContact CE2-CD2 3.97Å; Y231-Y256 HydrophobicContact CE2-CD2 3.97Å; Y231-Y256 HydrophobicContact CE2-CG 4.41Å; Y231-V271 HydrophobicContact CD2-CB 4.38Å; Y231-V271 HydrophobicContact CD2-CG1 3.89Å; Y231-V271 HydrophobicContact CD2-CG2 4.17Å; Y231-V271 HydrophobicContact CE2-CG2 4.2Å; Y231-V271 HydrophobicContact CG-CG1 4.2Å; Y231-R275 PolarHBondContact O-NE 3.46Å
232S97.9Very high96.4Very high14 Ų1448.6 Ų48.610%0.09823%0.233CC..  trans-81146.7-173.7-630000114.1K228 R275K228-S232 WeakPolarHBondContact CA-OG 3.43Å; K228-S232 WeakPolarHBondContact O-CB 3.28Å; K228-S232 PolarHBondContact O-N 3.32Å; K228-S232 PolarHBondContact O-OG 3.32Å; S232-R275 CarbonylContact C-O 3.51Å; S232-R275 WeakPolarHBondContact CA-O 3.43Å; S232-R275 VanDerWaalsContact CB-O 3.26Å; S232-R275 WeakPolarHBondContact CB-O 3.22Å; S232-R275 PolarHBondContact OG-O 3.47Å
233Y97.9Very high96.6Very high10 Ų1047.2 Ų47.24%0.03923%0.229CC..BIsolated β-bridgetrans-155.2159.5-179.260.2-83000110.3Y231 C235 E241 Y245 R275 F276Y231-Y233 WeakPolarHBondContact O-CD1 3.33Å; Y233-C235 HydrophobicContact CE2-CB 4.46Å; Y233-E241 PolarHBondContact OH-OE1 2.94Å; Y233-Y245 WeakPolarHBondContact OH-CE2 3.15Å; Y233-Y245 PolarHBondContact OH-OH 2.99Å; Y233-R275 HydrophobicContact CD1-CB 4.22Å; Y233-R275 HydrophobicContact CE1-CB 3.67Å; Y233-R275 PolarHBondContact N-O 2.85Å; Y233-F276 HydrophobicContact CE2-CB 4.01Å; Y233-F276 WeakPolarHBondContact O-CA 3.23Å
234V98.1Very high96.5Very high0 Ų051 Ų510%025%0.246CC..  trans-90.1130.7173.1176.80000109.2P279 F283 F328 R329 F331 R334V234-P279 HydrophobicContact CG2-CB 3.72Å; V234-F283 HydrophobicContact CG1-CD2 4.24Å; V234-F283 HydrophobicContact CG1-CE2 3.7Å; V234-F283 HydrophobicContact CG1-CZ 4.34Å; V234-F283 HydrophobicContact CG2-CE2 4.06Å; V234-F328 HydrophobicContact CG2-CB 4.05Å; V234-R329 PolarHBondContact N-O 3.08Å; V234-F331 HydrophobicContact CG2-CB 3.93Å; V234-F331 HydrophobicContact CG2-CD2 3.85Å; V234-F331 HydrophobicContact CG2-CG 4.37Å; V234-R334 HydrophobicContact CG1-CB 3.52Å; V234-R334 HydrophobicContact CG1-CG 3.61Å
235C96.2Very high96.4Very high1 Ų151.3 Ų51.31%0.00725%0.247CC..  trans-90.7153.2175.874.90000111Y233 E241 F276 R334Y233-C235 HydrophobicContact CE2-CB 4.46Å; C235-E241 HydrophobicContact CB-CB 3.95Å; C235-E241 HydrophobicContact CB-CG 3.72Å; C235-F276 HydrophobicContact CB-CB 4.23Å; C235-R334 PolarHBondContact O-NH1 3.45Å
236P94.2Very high96.3Very high74 Ų7452.8 Ų52.848%0.48126%0.258SS..SBendtrans-75.8-29.8176.128.5-33.6000113.1R337P236-R337 VanDerWaalsContact O-CZ 3.29Å; P236-R337 PolarHBondContact O-NH1 3.43Å; P236-R337 PolarHBondContact O-NH2 3.47Å
237D95.2Very high96.1Very high53 Ų5358 Ų5828%0.28329%0.289SS..  trans-151.2109.8-171-178.9-41000107.8V239 K240 E241D237-V239 PolarHBondContact O-N 3.15Å; D237-V239 PolarHBondContact OD1-N 3.16Å; D237-K240 HydrophobicContact CB-CB 4.09Å; D237-K240 HydrophobicContact CB-CD 4.06Å; D237-K240 HydrophobicContact CB-CG 4.29Å; D237-K240 PolarHBondContact O-N 2.88Å; D237-K240 PolarHBondContact OD1-N 2.92Å; D237-K240 VanDerWaalsContact OD2-CD 3.3Å; D237-K240 WeakPolarHBondContact OD2-CD 3.5Å; D237-K240 WeakPolarHBondContact OD2-CE 3.16Å; D237-K240 IonicContact OD2-NZ 3.08Å; D237-K240 PolarHBondContact OD2-NZ 3.12Å; D237-E241 PolarHBondContact O-N 2.98Å
238L94.6Very high95.8Very high25 Ų2560.9 Ų60.913%0.13130%0.304CS..Hα-helixtrans-62.4-45.1-170.8-176.560.7000112.1K240 E241 F242 F276 L277 E280 F287L238-K240 PolarHBondContact O-N 3.3Å; L238-E241 PolarHBondContact O-N 3.04Å; L238-E241 VanDerWaalsContact O-N 3.11Å; L238-F242 HydrophobicContact CD1-CD2 4.04Å; L238-F242 HydrophobicContact CD1-CE2 3.66Å; L238-F242 HydrophobicContact CD2-CE2 4.22Å; L238-F242 HydrophobicContact CG-CD2 3.94Å; L238-F242 HydrophobicContact CG-CE2 3.71Å; L238-F242 VanDerWaalsContact O-CD2 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.41Å; L238-F242 PolarHBondContact O-N 3.33Å; L238-F276 HydrophobicContact CD1-CD2 3.67Å; L238-F276 HydrophobicContact CD1-CE2 3.55Å; L238-L277 HydrophobicContact CD1-CD2 4Å; L238-E280 HydrophobicContact CD1-CG 4.08Å; L238-E280 HydrophobicContact CD2-CG 4.26Å; L238-F287 HydrophobicContact CD2-CE2 3.72Å; L238-F287 HydrophobicContact CD2-CZ 3.68Å
239V95.8Very high95.3Very high100 Ų10061.1 Ų61.161%0.60631%0.311SS*.Hα-helixtrans-63.9-43-178.7179.20000110.6D237 E241 F242 N243D237-V239 PolarHBondContact O-N 3.15Å; D237-V239 PolarHBondContact OD1-N 3.16Å; V239-E241 VanDerWaalsContact C-N 3.29Å; V239-E241 PolarHBondContact O-N 3.28Å; V239-F242 PolarHBondContact O-N 3.43Å; V239-N243 PolarHBondContact O-N 3.49Å; V239-N243 VanDerWaalsContact O-N 3.16Å; V239-N243 PolarHBondContact O-ND2 3.32Å; V239-N243 VanDerWaalsContact O-ND2 3.12Å
240K96.1Very high95Very high130 Ų13061 Ų6157%0.56532%0.322SS*.Hα-helixtrans-65.7-34.5174.9-71.3179-170.4141.30112.3D237 L238 K244D237-K240 HydrophobicContact CB-CB 4.09Å; D237-K240 HydrophobicContact CB-CD 4.06Å; D237-K240 HydrophobicContact CB-CG 4.29Å; D237-K240 PolarHBondContact O-N 2.88Å; D237-K240 PolarHBondContact OD1-N 2.92Å; D237-K240 VanDerWaalsContact OD2-CD 3.3Å; D237-K240 WeakPolarHBondContact OD2-CD 3.5Å; D237-K240 WeakPolarHBondContact OD2-CE 3.16Å; D237-K240 IonicContact OD2-NZ 3.08Å; D237-K240 PolarHBondContact OD2-NZ 3.12Å; L238-K240 PolarHBondContact O-N 3.3Å; K240-K244 WeakPolarHBondContact O-CG 3.48Å; K240-K244 PolarHBondContact O-N 3.26Å
241E96.4Very high94.8Very high7 Ų759 Ų593%0.03332%0.318CS..Hα-helixtrans-67.3-44.8178.1-148.165-145.300111.2Y233 C235 D237 L238 V239 N243 K244 Y245 F276Y233-E241 PolarHBondContact OH-OE1 2.94Å; C235-E241 HydrophobicContact CB-CB 3.95Å; C235-E241 HydrophobicContact CB-CG 3.72Å; D237-E241 PolarHBondContact O-N 2.98Å; L238-E241 PolarHBondContact O-N 3.04Å; L238-E241 VanDerWaalsContact O-N 3.11Å; V239-E241 VanDerWaalsContact C-N 3.29Å; V239-E241 PolarHBondContact O-N 3.28Å; E241-N243 PolarHBondContact O-N 3.31Å; E241-K244 VanDerWaalsContact CD-NZ 3.27Å; E241-K244 WeakPolarHBondContact O-CB 3.17Å; E241-K244 PolarHBondContact O-N 3.1Å; E241-K244 IonicContact OE1-NZ 2.66Å; E241-K244 PolarHBondContact OE1-NZ 2.93Å; E241-K244 VanDerWaalsContact OE1-NZ 3.1Å; E241-K244 IonicContact OE2-NZ 2.7Å; E241-K244 PolarHBondContact OE2-NZ 2.94Å; E241-Y245 HydrophobicContact CG-CE2 4.42Å; E241-Y245 WeakPolarHBondContact O-CD2 3.48Å; E241-Y245 PolarHBondContact O-N 3.39Å; E241-F276 HydrophobicContact CB-CD2 4.38Å; E241-F276 HydrophobicContact CB-CE2 4.38Å; E241-F276 HydrophobicContact CB-CG 4.46Å; E241-F276 HydrophobicContact CB-CZ 4.46Å; E241-F276 HydrophobicContact CG-CB 4.37Å; E241-F276 HydrophobicContact CG-CD1 3.8Å; E241-F276 HydrophobicContact CG-CD2 4.32Å; E241-F276 HydrophobicContact CG-CE1 4.1Å; E241-F276 HydrophobicContact CG-CG 3.91Å
242F95.5Very high94.6Very high63 Ų6360 Ų6028%0.27632%0.322SS..Hα-helixtrans-54-52.2172.6-85.3-69.2000112.4L238 V239 K244 Y245 D246 Y273 F276 L277L238-F242 HydrophobicContact CD1-CD2 4.04Å; L238-F242 HydrophobicContact CD1-CE2 3.66Å; L238-F242 HydrophobicContact CD2-CE2 4.22Å; L238-F242 HydrophobicContact CG-CD2 3.94Å; L238-F242 HydrophobicContact CG-CE2 3.71Å; L238-F242 VanDerWaalsContact O-CD2 3.28Å; L238-F242 WeakPolarHBondContact O-CD2 3.41Å; L238-F242 PolarHBondContact O-N 3.33Å; V239-F242 PolarHBondContact O-N 3.43Å; F242-K244 PolarHBondContact O-N 2.89Å; F242-K244 VanDerWaalsContact O-N 3.09Å; F242-Y245 PolarHBondContact O-N 3.17Å; F242-D246 PolarHBondContact O-N 3.29Å; F242-Y273 AromaticContact CD1-CD1 3.99Å; F242-Y273 HydrophobicContact CD1-CD1 3.99Å; F242-Y273 AromaticContact CD1-CE1 3.98Å; F242-Y273 HydrophobicContact CD1-CE1 3.98Å; F242-Y273 HydrophobicContact CE1-CD1 4.08Å; F242-Y273 HydrophobicContact CE1-CE1 4.38Å; F242-Y273 HydrophobicContact CE1-CG 4.24Å; F242-F276 HydrophobicContact CD1-CE2 4.4Å; F242-F276 AromaticContact CD1-CZ 3.92Å; F242-F276 HydrophobicContact CD1-CZ 3.92Å; F242-F276 HydrophobicContact CD2-CE2 4.18Å; F242-F276 HydrophobicContact CD2-CZ 4.41Å; F242-F276 HydrophobicContact CE1-CE2 4.22Å; F242-F276 AromaticContact CE1-CZ 3.97Å; F242-F276 HydrophobicContact CE1-CZ 3.97Å; F242-F276 HydrophobicContact CE2-CE2 4.01Å; F242-F276 HydrophobicContact CE2-CZ 4.47Å; F242-F276 HydrophobicContact CG-CE2 4.38Å; F242-F276 HydrophobicContact CG-CZ 4.15Å; F242-F276 HydrophobicContact CZ-CE2 4.04Å; F242-F276 HydrophobicContact CZ-CZ 4.27Å; F242-L277 HydrophobicContact CE1-CD1 4.41Å; F242-L277 HydrophobicContact CE2-CD2 4.15Å; F242-L277 HydrophobicContact CZ-CD1 4.1Å; F242-L277 HydrophobicContact CZ-CD2 3.75Å; F242-L277 HydrophobicContact CZ-CG 4.29Å
243N96.6Very high94.5Very high87 Ų8762.3 Ų62.347%0.46533%0.332SS..Hα-helixtrans-56.6-32.5-178.9-73-36.4000113.3V239 E241 T247V239-N243 PolarHBondContact O-N 3.49Å; V239-N243 VanDerWaalsContact O-N 3.16Å; V239-N243 PolarHBondContact O-ND2 3.32Å; V239-N243 VanDerWaalsContact O-ND2 3.12Å; E241-N243 PolarHBondContact O-N 3.31Å; N243-T247 VanDerWaalsContact O-CB 3.27Å; N243-T247 WeakPolarHBondContact O-CB 3.16Å; N243-T247 PolarHBondContact O-N 3.02Å; N243-T247 PolarHBondContact O-OG1 3.39Å
244K94.6Very high94.4Very high80 Ų8066 Ų6635%0.34835%0.349SS..Hα-helixtrans-64.7-44.3176.2-70.4168.8-173.1167.40111.9K240 E241 F242 D248 W252K240-K244 WeakPolarHBondContact O-CG 3.48Å; K240-K244 PolarHBondContact O-N 3.26Å; E241-K244 VanDerWaalsContact CD-NZ 3.27Å; E241-K244 WeakPolarHBondContact O-CB 3.17Å; E241-K244 PolarHBondContact O-N 3.1Å; E241-K244 IonicContact OE1-NZ 2.66Å; E241-K244 PolarHBondContact OE1-NZ 2.93Å; E241-K244 VanDerWaalsContact OE1-NZ 3.1Å; E241-K244 IonicContact OE2-NZ 2.7Å; E241-K244 PolarHBondContact OE2-NZ 2.94Å; F242-K244 PolarHBondContact O-N 2.89Å; F242-K244 VanDerWaalsContact O-N 3.09Å; K244-D248 PolarHBondContact O-N 3.3Å; K244-D248 VanDerWaalsContact O-N 3.11Å; K244-W252 HydrophobicContact CD-CZ2 4.29Å; K244-W252 PolarHBondContact O-NE1 3.26Å
245Y94.7Very high94.2Very high8 Ų870.8 Ų70.83%0.03137%0.371CS..Hα-helixtrans-70.8-38.2180-82.4-107.5000111.2Y233 E241 F242 G249 W252 G272 Y273 R275 F276Y233-Y245 WeakPolarHBondContact OH-CE2 3.15Å; Y233-Y245 PolarHBondContact OH-OH 2.99Å; E241-Y245 HydrophobicContact CG-CE2 4.42Å; E241-Y245 WeakPolarHBondContact O-CD2 3.48Å; E241-Y245 PolarHBondContact O-N 3.39Å; F242-Y245 PolarHBondContact O-N 3.17Å; Y245-G249 WeakPolarHBondContact O-CA 3.37Å; Y245-G249 PolarHBondContact O-N 3.25Å; Y245-W252 HydrophobicContact CD1-CB 3.75Å; Y245-W252 HydrophobicContact CD2-CB 4.02Å; Y245-W252 HydrophobicContact CD2-CG 4.34Å; Y245-W252 HydrophobicContact CE1-CB 3.7Å; Y245-W252 HydrophobicContact CE2-CB 3.96Å; Y245-W252 HydrophobicContact CE2-CG 4.42Å; Y245-W252 HydrophobicContact CG-CB 3.93Å; Y245-G272 VanDerWaalsContact CE1-O 3.31Å; Y245-G272 WeakPolarHBondContact CE1-O 3.47Å; Y245-G272 PolarHBondContact OH-O 3.16Å; Y245-Y273 HydrophobicContact CD1-CD1 4.05Å; Y245-Y273 HydrophobicContact CD1-CE1 4.27Å; Y245-Y273 AromaticContact CG-CD1 3.99Å; Y245-Y273 HydrophobicContact CG-CD1 3.99Å; Y245-Y273 HydrophobicContact CG-CE1 4.02Å; Y245-R275 PolarHBondContact OH-NH1 3.34Å; Y245-F276 HydrophobicContact CD2-CD1 4.38Å; Y245-F276 AromaticContact CD2-CE1 3.74Å; Y245-F276 HydrophobicContact CD2-CE1 3.74Å; Y245-F276 HydrophobicContact CE1-CE1 4.49Å; Y245-F276 AromaticContact CE2-CD1 3.73Å; Y245-F276 HydrophobicContact CE2-CD1 3.73Å; Y245-F276 AromaticContact CE2-CE1 3.54Å; Y245-F276 HydrophobicContact CE2-CE1 3.54Å; Y245-F276 HydrophobicContact CG-CE1 4.29Å; Y245-F276 AromaticContact CZ-CD1 3.98Å; Y245-F276 AromaticContact CZ-CE1 3.92Å
246D94.2Very high94.2Very high95 Ų9571.7 Ų71.751%0.50837%0.374SS..Hα-helixtrans-69.4-36.2179.2-63.6-8.5000112F242 Y273F242-D246 PolarHBondContact O-N 3.29Å; D246-Y273 PolarHBondContact OD1-OH 3.28Å
247T94.4Very high94.3Very high124 Ų12471.2 Ų71.276%0.76137%0.37SS*.Hα-helixtrans-77.2-36.3-179.8-540000112.4N243N243-T247 VanDerWaalsContact O-CB 3.27Å; N243-T247 WeakPolarHBondContact O-CB 3.16Å; N243-T247 PolarHBondContact O-N 3.02Å; N243-T247 PolarHBondContact O-OG1 3.39Å
248D90.9Very high94.2Very high60 Ų6069.1 Ų69.132%0.32136%0.361SS..  trans-144.359.2-171.8-1692.1000111.7K244 S250 K251K244-D248 PolarHBondContact O-N 3.3Å; K244-D248 VanDerWaalsContact O-N 3.11Å; D248-S250 VanDerWaalsContact C-N 3.28Å; D248-S250 PolarHBondContact O-N 3.38Å; D248-S250 PolarHBondContact OD1-OG 3.19Å; D248-K251 HydrophobicContact CB-CB 4.4Å; D248-K251 VanDerWaalsContact CG-CB 3.44Å; D248-K251 PolarHBondContact O-N 2.95Å; D248-K251 VanDerWaalsContact O-N 3.16Å; D248-K251 WeakPolarHBondContact OD1-CB 3.25Å; D248-K251 WeakPolarHBondContact OD2-CB 3.37Å; D248-K251 WeakPolarHBondContact OD2-CD 3.23Å
249G87.4Confident94.2Very high20 Ų2073.2 Ų73.221%0.20638%0.382CS..Hα-helixtrans-55-41-175.100000113.4Y245 K251 W252 I253Y245-G249 WeakPolarHBondContact O-CA 3.37Å; Y245-G249 PolarHBondContact O-N 3.25Å; G249-K251 PolarHBondContact O-N 3.27Å; G249-W252 PolarHBondContact O-N 2.9Å; G249-W252 VanDerWaalsContact O-N 3.13Å; G249-I253 VanDerWaalsContact O-CB 3.27Å; G249-I253 WeakPolarHBondContact O-CB 3.09Å; G249-I253 WeakPolarHBondContact O-CD1 3.37Å; G249-I253 WeakPolarHBondContact O-CG1 3.32Å; G249-I253 PolarHBondContact O-N 2.83Å
250S89.2Confident94Very high111 Ų11169.6 Ų69.678%0.77636%0.359SS*.Hα-helixtrans-63-27-17861.10000113.8D248D248-S250 VanDerWaalsContact C-N 3.28Å; D248-S250 PolarHBondContact O-N 3.38Å; D248-S250 PolarHBondContact OD1-OG 3.19Å
251K93.2Very high93.5Very high122 Ų12265.8 Ų65.853%0.5335%0.352SS..Hα-helixtrans-76.9-36.3175.7-179.4176.5178.9176.20113D248 G249D248-K251 HydrophobicContact CB-CB 4.4Å; D248-K251 VanDerWaalsContact CG-CB 3.44Å; D248-K251 PolarHBondContact O-N 2.95Å; D248-K251 VanDerWaalsContact O-N 3.16Å; D248-K251 WeakPolarHBondContact OD1-CB 3.25Å; D248-K251 WeakPolarHBondContact OD2-CB 3.37Å; D248-K251 WeakPolarHBondContact OD2-CD 3.23Å; G249-K251 PolarHBondContact O-N 3.27Å
252W94Very high93.1Very high76 Ų7671.5 Ų71.529%0.28838%0.381SS..Hα-helixtrans-100.2-27.7-169.9-60.5108.9000113.8K244 Y245 G249 K254 R275K244-W252 HydrophobicContact CD-CZ2 4.29Å; K244-W252 PolarHBondContact O-NE1 3.26Å; Y245-W252 HydrophobicContact CD1-CB 3.75Å; Y245-W252 HydrophobicContact CD2-CB 4.02Å; Y245-W252 HydrophobicContact CD2-CG 4.34Å; Y245-W252 HydrophobicContact CE1-CB 3.7Å; Y245-W252 HydrophobicContact CE2-CB 3.96Å; Y245-W252 HydrophobicContact CE2-CG 4.42Å; Y245-W252 HydrophobicContact CG-CB 3.93Å; G249-W252 PolarHBondContact O-N 2.9Å; G249-W252 VanDerWaalsContact O-N 3.13Å; W252-K254 PolarHBondContact O-N 3.31Å; W252-R275 PolarHBondContact O-NH1 2.8Å
253I94.9Very high92.8Very high62 Ų6271.5 Ų71.532%0.31839%0.389SS..  trans-64.3134.5171.2-66.6167.9000108.7G249 D270G249-I253 VanDerWaalsContact O-CB 3.27Å; G249-I253 WeakPolarHBondContact O-CB 3.09Å; G249-I253 WeakPolarHBondContact O-CD1 3.37Å; G249-I253 WeakPolarHBondContact O-CG1 3.32Å; G249-I253 PolarHBondContact O-N 2.83Å; I253-D270 HydrophobicContact CG2-CB 3.65Å; I253-D270 WeakPolarHBondContact CG2-OD1 3.13Å
254K95.7Very high92.5Very high89 Ų8974.8 Ų74.839%0.38740%0.399SS..EExtended strand (participates in β ladder)trans-110.2163.4173-62.1-57.7177.2-159.50109.4Y231 W252 D270 V271Y231-K254 HydrophobicContact CD1-CB 4.34Å; Y231-K254 HydrophobicContact CD1-CG 4.45Å; Y231-K254 HydrophobicContact CE1-CB 4.32Å; W252-K254 PolarHBondContact O-N 3.31Å; K254-D270 CarbonylContact O-C 3.23Å; K254-D270 WeakPolarHBondContact O-CA 3.23Å; K254-V271 HydrophobicContact CB-CB 4.3Å; K254-V271 PolarHBondContact N-O 3.06Å; K254-V271 PolarHBondContact O-N 2.9Å
255Q94.7Very high92.5Very high100 Ų10078.2 Ų78.247%0.46741%0.414SS..EExtended strand (participates in β ladder)trans-109.7132.4174.9-79.1-82.3-18.200108.9Y231 I269 D270Y231-Q255 PolarHBondContact OH-O 2.96Å; Y231-Q255 VanDerWaalsContact OH-O 3.06Å; Q255-I269 WeakPolarHBondContact CA-O 3.38Å; Q255-I269 PolarHBondContact OE1-O 3.03Å; Q255-D270 VanDerWaalsContact NE2-CG 3.34Å; Q255-D270 PolarHBondContact NE2-OD1 3.49Å
256Y96Very high92.6Very high19 Ų1984.6 Ų84.68%0.07544%0.444CS..EExtended strand (participates in β ladder)trans-108.9129.5167.6174.3-97.9000108.9T223 A226 V227 Y231 F267 S268 I269T223-Y256 HydrophobicContact CG2-CD1 3.95Å; T223-Y256 HydrophobicContact CG2-CE1 3.78Å; A226-Y256 HydrophobicContact CB-CE2 3.72Å; V227-Y256 HydrophobicContact CG2-CG 4.26Å; Y231-Y256 AromaticContact CE2-CD2 3.97Å; Y231-Y256 HydrophobicContact CE2-CD2 3.97Å; Y231-Y256 HydrophobicContact CE2-CG 4.41Å; Y256-F267 HydrophobicContact CD1-CE2 4.48Å; Y256-F267 HydrophobicContact CE1-CE2 4.26Å; Y256-F267 HydrophobicContact CE1-CZ 4.24Å; Y256-S268 CarbonylContact O-C 3.4Å; Y256-S268 VanDerWaalsContact O-CA 3.24Å; Y256-S268 WeakPolarHBondContact O-CA 3.43Å; Y256-I269 HydrophobicContact CD1-CD1 4.19Å; Y256-I269 HydrophobicContact CD1-CG1 4.12Å; Y256-I269 PolarHBondContact N-O 3.3Å; Y256-I269 PolarHBondContact O-N 3.25Å
257T96.1Very high92.6Very high64 Ų6481.1 Ų81.139%0.39343%0.425SS..EExtended strand (participates in β ladder)trans-116129.1178.3-56.80000109E266 F267 S268T257-E266 HydrophobicContact CG2-CG 3.27Å; T257-E266 WeakPolarHBondContact CG2-OE1 3.22Å; T257-F267 WeakPolarHBondContact CA-O 3.43Å; T257-S268 WeakPolarHBondContact CG2-OG 3.47Å; T257-S268 PolarHBondContact OG1-OG 2.79Å
258G94Very high92.6Very high9 Ų977.7 Ų77.79%0.09341%0.406CS..EExtended strand (participates in β ladder)trans-131.6165.7177.800000111.5E266 F267G258-E266 CarbonylContact O-C 3.6Å; G258-E266 WeakPolarHBondContact O-CA 3.28Å; G258-F267 PolarHBondContact N-O 3.31Å; G258-F267 WeakPolarHBondContact O-CD1 3.39Å; G258-F267 PolarHBondContact O-N 3.12Å
259I93.8Very high92.8Very high112 Ų11274.9 Ų74.957%0.57439%0.391SS*.EExtended strand (participates in β ladder)trans-108126.8174.7-59.8174.8000107.8Q219 A261Q219-I259 PolarHBondContact NE2-O 2.84Å; Q219-I259 PolarHBondContact OE1-O 3.34Å; I259-A261 PolarHBondContact O-N 3.03Å
260N91.4Very high93.2Very high23 Ų2376.7 Ų76.712%0.12340%0.396CS..  trans-64.3123.3175.7178.8-67.5000109.8P216 E218 I262 S263 K264 K265 F267P216-N260 WeakPolarHBondContact CB-ND2 3.42Å; P216-N260 HydrophobicContact CG-CB 4.06Å; P216-N260 WeakPolarHBondContact CG-ND2 3.42Å; E218-N260 PolarHBondContact OE1-ND2 3.34Å; N260-I262 PolarHBondContact O-N 2.7Å; N260-I262 WeakPolarHBondContact OD1-CA 3.5Å; N260-I262 PolarHBondContact OD1-N 3.06Å; N260-S263 VanDerWaalsContact CB-OG 3.28Å; N260-S263 WeakPolarHBondContact CB-OG 3.45Å; N260-S263 PolarHBondContact OD1-N 3.33Å; N260-S263 PolarHBondContact OD1-OG 2.89Å; N260-K264 WeakPolarHBondContact O-CA 3.49Å; N260-K264 PolarHBondContact O-N 3.23Å; N260-K265 WeakPolarHBondContact CB-O 3.41Å; N260-K265 PolarHBondContact N-O 3.41Å; N260-F267 HydrophobicContact CB-CD1 4.45Å
261A86.2Confident93.5Very high50 Ų5071.4 Ų71.441%0.41336%0.359SS..THydrogen-bonded Turntrans-62-29.4-173.700000113.4Q219 I259 K264Q219-A261 HydrophobicContact CG-CB 4.39Å; I259-A261 PolarHBondContact O-N 3.03Å; A261-K264 WeakPolarHBondContact O-CE 3.23Å; A261-K264 PolarHBondContact O-NZ 3.43Å
262I87Confident93.7Very high128 Ų12865.9 Ų65.966%0.65634%0.336SS*.THydrogen-bonded Turntrans-92.3-60.6-176.3-57.3178000110.8E218 N260 K264E218-I262 HydrophobicContact CG-CD1 3.98Å; E218-I262 HydrophobicContact CG-CG1 4.44Å; N260-I262 PolarHBondContact O-N 2.7Å; N260-I262 WeakPolarHBondContact OD1-CA 3.5Å; N260-I262 PolarHBondContact OD1-N 3.06Å; I262-K264 VanDerWaalsContact C-N 3.28Å; I262-K264 PolarHBondContact O-N 3.12Å
263S89.7Confident93.7Very high63 Ų6366.5 Ų66.544%0.44134%0.339SS..THydrogen-bonded Turntrans-77.2-13.3-174.967.70000113.8N260 K265N260-S263 VanDerWaalsContact CB-OG 3.28Å; N260-S263 WeakPolarHBondContact CB-OG 3.45Å; N260-S263 PolarHBondContact OD1-N 3.33Å; N260-S263 PolarHBondContact OD1-OG 2.89Å; S263-K265 PolarHBondContact O-N 2.73Å; S263-K265 VanDerWaalsContact O-N 3.08Å
264K91.6Very high93.8Very high155 Ų15563.7 Ų63.767%0.67432%0.324SS*.  trans5815.3-175.1-52.9-55.2-171.8-169.10114.2N260 A261 I262N260-K264 WeakPolarHBondContact O-CA 3.49Å; N260-K264 PolarHBondContact O-N 3.23Å; A261-K264 WeakPolarHBondContact O-CE 3.23Å; A261-K264 PolarHBondContact O-NZ 3.43Å; I262-K264 VanDerWaalsContact C-N 3.28Å; I262-K264 PolarHBondContact O-N 3.12Å
265K94.2Very high93.8Very high152 Ų15260.6 Ų60.666%0.66131%0.31SS*.  trans-89147.9174.9-66.7-175.6179.3-1790110.7N260 S263N260-K265 WeakPolarHBondContact CB-O 3.41Å; N260-K265 PolarHBondContact N-O 3.41Å; S263-K265 PolarHBondContact O-N 2.73Å; S263-K265 VanDerWaalsContact O-N 3.08Å
266E95.3Very high94Very high142 Ų14255.8 Ų55.866%0.66429%0.288SS*.EExtended strand (participates in β ladder)trans-70.2140.4171.6-169.9176.8106.200110.6T257 G258T257-E266 HydrophobicContact CG2-CG 3.27Å; T257-E266 WeakPolarHBondContact CG2-OE1 3.22Å; G258-E266 CarbonylContact O-C 3.6Å; G258-E266 WeakPolarHBondContact O-CA 3.28Å
267F94.5Very high94Very high23 Ų2355.8 Ų55.810%0.10129%0.289CS..EExtended strand (participates in β ladder)trans-125.4147.7165.272-86.9000108.8P216 T223 Y256 T257 G258 N260 I269P216-F267 HydrophobicContact CG-CD1 3.75Å; P216-F267 HydrophobicContact CG-CE1 3.79Å; P216-F267 HydrophobicContact CG-CG 4.21Å; P216-F267 HydrophobicContact CG-CZ 4.29Å; T223-F267 HydrophobicContact CG2-CE2 4.3Å; Y256-F267 HydrophobicContact CD1-CE2 4.48Å; Y256-F267 HydrophobicContact CE1-CE2 4.26Å; Y256-F267 HydrophobicContact CE1-CZ 4.24Å; T257-F267 WeakPolarHBondContact CA-O 3.43Å; G258-F267 PolarHBondContact N-O 3.31Å; G258-F267 WeakPolarHBondContact O-CD1 3.39Å; G258-F267 PolarHBondContact O-N 3.12Å; N260-F267 HydrophobicContact CB-CD1 4.45Å; F267-I269 HydrophobicContact CD2-CG2 4.25Å
268S95Very high94.1Very high52 Ų5252.8 Ų52.836%0.36427%0.271SS..EExtended strand (participates in β ladder)trans-130.4145.3174.6-68.10000110Y256 T257Y256-S268 CarbonylContact O-C 3.4Å; Y256-S268 VanDerWaalsContact O-CA 3.24Å; Y256-S268 WeakPolarHBondContact O-CA 3.43Å; T257-S268 WeakPolarHBondContact CG2-OG 3.47Å; T257-S268 PolarHBondContact OG1-OG 2.79Å
269I95.5Very high94.2Very high1 Ų152.3 Ų52.31%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-133.6150.5178.464.3175.5000110.5L208 E212 I215 T223 V227 Q255 Y256 F267 V271L208-I269 HydrophobicContact CD1-CD1 4.35Å; L208-I269 HydrophobicContact CD2-CD1 4.16Å; E212-I269 HydrophobicContact CB-CB 4.3Å; E212-I269 HydrophobicContact CB-CG2 4.08Å; E212-I269 HydrophobicContact CG-CB 4.03Å; E212-I269 HydrophobicContact CG-CG2 4.37Å; I215-I269 HydrophobicContact CD1-CD1 3.72Å; I215-I269 HydrophobicContact CD1-CG2 4.34Å; I215-I269 HydrophobicContact CG1-CD1 4Å; I215-I269 HydrophobicContact CG1-CG2 3.6Å; T223-I269 HydrophobicContact CG2-CD1 3.67Å; V227-I269 HydrophobicContact CG2-CD1 4.39Å; Q255-I269 WeakPolarHBondContact CA-O 3.38Å; Q255-I269 PolarHBondContact OE1-O 3.03Å; Y256-I269 HydrophobicContact CD1-CD1 4.19Å; Y256-I269 HydrophobicContact CD1-CG1 4.12Å; Y256-I269 PolarHBondContact N-O 3.3Å; Y256-I269 PolarHBondContact O-N 3.25Å; F267-I269 HydrophobicContact CD2-CG2 4.25Å; I269-V271 HydrophobicContact CG1-CG2 4.35Å
270D95.2Very high94.4Very high58 Ų5847 Ų4731%0.3124%0.239SC..EExtended strand (participates in β ladder)trans-70152165.2-79.2-45.6000110.3R211 E212 I253 K254 Q255R211-D270 PolarHBondContact NH2-O 3.28Å; E212-D270 PolarHBondContact OE2-N 3.3Å; I253-D270 HydrophobicContact CG2-CB 3.65Å; I253-D270 WeakPolarHBondContact CG2-OD1 3.13Å; K254-D270 CarbonylContact O-C 3.23Å; K254-D270 WeakPolarHBondContact O-CA 3.23Å; Q255-D270 VanDerWaalsContact NE2-CG 3.34Å; Q255-D270 PolarHBondContact NE2-OD1 3.49Å
271V96.1Very high94.7Very high0 Ų045.9 Ų45.90%023%0.233CC..EExtended strand (participates in β ladder)trans-132.2103.3177.4-174.20000108.6V227 Y231 K254 I269 E274 R275V227-V271 HydrophobicContact CG1-CG1 3.59Å; V227-V271 HydrophobicContact CG2-CG1 4.5Å; V227-V271 HydrophobicContact CG2-CG2 3.98Å; Y231-V271 HydrophobicContact CD2-CB 4.38Å; Y231-V271 HydrophobicContact CD2-CG1 3.89Å; Y231-V271 HydrophobicContact CD2-CG2 4.17Å; Y231-V271 HydrophobicContact CE2-CG2 4.2Å; Y231-V271 HydrophobicContact CG-CG1 4.2Å; K254-V271 HydrophobicContact CB-CB 4.3Å; K254-V271 PolarHBondContact N-O 3.06Å; K254-V271 PolarHBondContact O-N 2.9Å; I269-V271 HydrophobicContact CG1-CG2 4.35Å; V271-E274 WeakPolarHBondContact CA-OE1 3.45Å; V271-E274 HydrophobicContact CG1-CG 4.22Å; V271-R275 HydrophobicContact CG1-CG 3.56Å; V271-R275 WeakPolarHBondContact O-CD 3.35Å
272G95.7Very high95.3Very high5 Ų543.7 Ų43.75%0.05221%0.214CC..  trans-111.6-116.9-16600000114.3Y245 E274 R275Y245-G272 VanDerWaalsContact CE1-O 3.31Å; Y245-G272 WeakPolarHBondContact CE1-O 3.47Å; Y245-G272 PolarHBondContact OH-O 3.16Å; G272-E274 VanDerWaalsContact C-N 3.32Å; G272-E274 VanDerWaalsContact C-OE2 3.27Å; G272-E274 WeakPolarHBondContact CA-OE2 3.24Å; G272-E274 PolarHBondContact N-OE1 2.98Å; G272-E274 PolarHBondContact N-OE2 3.26Å; G272-E274 PolarHBondContact O-N 3.2Å; G272-R275 WeakPolarHBondContact O-CB 3.23Å; G272-R275 WeakPolarHBondContact O-CD 3.41Å; G272-R275 WeakPolarHBondContact O-CG 3.5Å; G272-R275 PolarHBondContact O-N 2.84Å
273Y95.8Very high95.8Very high89 Ų8937.8 Ų37.835%0.34918%0.184SC..THydrogen-bonded Turntrans-66.4-30.7-173.8-55.1-59.1000113.3F242 Y245 D246 R275 F276 L277F242-Y273 AromaticContact CD1-CD1 3.99Å; F242-Y273 HydrophobicContact CD1-CD1 3.99Å; F242-Y273 AromaticContact CD1-CE1 3.98Å; F242-Y273 HydrophobicContact CD1-CE1 3.98Å; F242-Y273 HydrophobicContact CE1-CD1 4.08Å; F242-Y273 HydrophobicContact CE1-CE1 4.38Å; F242-Y273 HydrophobicContact CE1-CG 4.24Å; Y245-Y273 HydrophobicContact CD1-CD1 4.05Å; Y245-Y273 HydrophobicContact CD1-CE1 4.27Å; Y245-Y273 AromaticContact CG-CD1 3.99Å; Y245-Y273 HydrophobicContact CG-CD1 3.99Å; Y245-Y273 HydrophobicContact CG-CE1 4.02Å; D246-Y273 PolarHBondContact OD1-OH 3.28Å; Y273-R275 PolarHBondContact O-N 3.16Å; Y273-F276 AromaticContact CD1-CE1 3.87Å; Y273-F276 HydrophobicContact CD1-CE1 3.87Å; Y273-F276 AromaticContact CD1-CZ 3.77Å; Y273-F276 HydrophobicContact CD1-CZ 3.77Å; Y273-F276 HydrophobicContact CG-CE1 4.49Å; Y273-F276 HydrophobicContact CG-CZ 4.34Å; Y273-F276 WeakPolarHBondContact O-CD1 3.41Å; Y273-F276 PolarHBondContact O-N 3.48Å; Y273-L277 WeakPolarHBondContact O-CB 3.32Å; Y273-L277 WeakPolarHBondContact O-CG 3.23Å; Y273-L277 PolarHBondContact O-N 3.38Å
274E95.9Very high96.1Very high3 Ų337.3 Ų37.31%0.01417%0.174CC..Hα-helixtrans-53.7-21.4176.261.8-85.3-162.200113.3I204 L207 L208 R211 V227 V271 G272 G278I204-E274 HydrophobicContact CG1-CB 4.32Å; I204-E274 HydrophobicContact CG2-CB 4.24Å; I204-E274 HydrophobicContact CG2-CG 4.39Å; L207-E274 HydrophobicContact CB-CB 4.19Å; L207-E274 HydrophobicContact CD1-CB 3.85Å; L208-E274 HydrophobicContact CD2-CG 4.05Å; L208-E274 WeakPolarHBondContact CD2-OE1 3.31Å; L208-E274 HydrophobicContact CG-CG 4.4Å; R211-E274 IonicContact CZ-OE1 3.66Å; R211-E274 VanDerWaalsContact NH1-CD 3.31Å; R211-E274 IonicContact NH1-OE1 2.99Å; R211-E274 PolarHBondContact NH1-OE1 2.79Å; R211-E274 IonicContact NH1-OE2 2.89Å; R211-E274 PolarHBondContact NH1-OE2 2.86Å; R211-E274 IonicContact NH2-OE1 3.41Å; R211-E274 PolarHBondContact NH2-OE1 2.87Å; V227-E274 HydrophobicContact CG1-CG 4.16Å; V271-E274 WeakPolarHBondContact CA-OE1 3.45Å; V271-E274 HydrophobicContact CG1-CG 4.22Å; G272-E274 VanDerWaalsContact C-N 3.32Å; G272-E274 VanDerWaalsContact C-OE2 3.27Å; G272-E274 WeakPolarHBondContact CA-OE2 3.24Å; G272-E274 PolarHBondContact N-OE1 2.98Å; G272-E274 PolarHBondContact N-OE2 3.26Å; G272-E274 PolarHBondContact O-N 3.2Å; E274-G278 PolarHBondContact O-N 3.36Å; E274-G278 VanDerWaalsContact O-N 3.11Å
275R97Very high96.3Very high24 Ų2429.9 Ų29.99%0.09114%0.142CC..Hα-helixtrans-60.1-46173.8-61.9178.658.2-147.1-7.7112.1Y231 S232 Y233 Y245 W252 V271 G272 Y273Y231-R275 PolarHBondContact O-NE 3.46Å; S232-R275 CarbonylContact C-O 3.51Å; S232-R275 WeakPolarHBondContact CA-O 3.43Å; S232-R275 VanDerWaalsContact CB-O 3.26Å; S232-R275 WeakPolarHBondContact CB-O 3.22Å; S232-R275 PolarHBondContact OG-O 3.47Å; Y233-R275 HydrophobicContact CD1-CB 4.22Å; Y233-R275 HydrophobicContact CE1-CB 3.67Å; Y233-R275 PolarHBondContact N-O 2.85Å; Y245-R275 PolarHBondContact OH-NH1 3.34Å; W252-R275 PolarHBondContact O-NH1 2.8Å; V271-R275 HydrophobicContact CG1-CG 3.56Å; V271-R275 WeakPolarHBondContact O-CD 3.35Å; G272-R275 WeakPolarHBondContact O-CB 3.23Å; G272-R275 WeakPolarHBondContact O-CD 3.41Å; G272-R275 WeakPolarHBondContact O-CG 3.5Å; G272-R275 PolarHBondContact O-N 2.84Å; Y273-R275 PolarHBondContact O-N 3.16Å
276F97.4Very high96.4Very high0 Ų026.5 Ų26.50%013%0.129CC..Hα-helixtrans-99.2-31.1178.563.7-94.7000112.4Y233 C235 L238 E241 F242 Y245 Y273 G278 E280Y233-F276 HydrophobicContact CE2-CB 4.01Å; Y233-F276 WeakPolarHBondContact O-CA 3.23Å; C235-F276 HydrophobicContact CB-CB 4.23Å; L238-F276 HydrophobicContact CD1-CD2 3.67Å; L238-F276 HydrophobicContact CD1-CE2 3.55Å; E241-F276 HydrophobicContact CB-CD2 4.38Å; E241-F276 HydrophobicContact CB-CE2 4.38Å; E241-F276 HydrophobicContact CB-CG 4.46Å; E241-F276 HydrophobicContact CB-CZ 4.46Å; E241-F276 HydrophobicContact CG-CB 4.37Å; E241-F276 HydrophobicContact CG-CD1 3.8Å; E241-F276 HydrophobicContact CG-CD2 4.32Å; E241-F276 HydrophobicContact CG-CE1 4.1Å; E241-F276 HydrophobicContact CG-CG 3.91Å; F242-F276 HydrophobicContact CD1-CE2 4.4Å; F242-F276 AromaticContact CD1-CZ 3.92Å; F242-F276 HydrophobicContact CD1-CZ 3.92Å; F242-F276 HydrophobicContact CD2-CE2 4.18Å; F242-F276 HydrophobicContact CD2-CZ 4.41Å; F242-F276 HydrophobicContact CE1-CE2 4.22Å; F242-F276 AromaticContact CE1-CZ 3.97Å; F242-F276 HydrophobicContact CE1-CZ 3.97Å; F242-F276 HydrophobicContact CE2-CE2 4.01Å; F242-F276 HydrophobicContact CE2-CZ 4.47Å; F242-F276 HydrophobicContact CG-CE2 4.38Å; F242-F276 HydrophobicContact CG-CZ 4.15Å; F242-F276 HydrophobicContact CZ-CE2 4.04Å; F242-F276 HydrophobicContact CZ-CZ 4.27Å; Y245-F276 HydrophobicContact CD2-CD1 4.38Å; Y245-F276 AromaticContact CD2-CE1 3.74Å; Y245-F276 HydrophobicContact CD2-CE1 3.74Å; Y245-F276 HydrophobicContact CE1-CE1 4.49Å; Y245-F276 AromaticContact CE2-CD1 3.73Å; Y245-F276 HydrophobicContact CE2-CD1 3.73Å; Y245-F276 AromaticContact CE2-CE1 3.54Å; Y245-F276 HydrophobicContact CE2-CE1 3.54Å; Y245-F276 HydrophobicContact CG-CE1 4.29Å; Y245-F276 AromaticContact CZ-CD1 3.98Å; Y245-F276 AromaticContact CZ-CE1 3.92Å; Y273-F276 AromaticContact CD1-CE1 3.87Å; Y273-F276 HydrophobicContact CD1-CE1 3.87Å; Y273-F276 AromaticContact CD1-CZ 3.77Å; Y273-F276 HydrophobicContact CD1-CZ 3.77Å; Y273-F276 HydrophobicContact CG-CE1 4.49Å; Y273-F276 HydrophobicContact CG-CZ 4.34Å; Y273-F276 WeakPolarHBondContact O-CD1 3.41Å; Y273-F276 PolarHBondContact O-N 3.48Å; F276-G278 VanDerWaalsContact C-N 3.34Å; F276-G278 PolarHBondContact O-N 3.11Å; F276-E280 VanDerWaalsContact O-CB 3.3Å; F276-E280 WeakPolarHBondContact O-CB 3.29Å; F276-E280 PolarHBondContact O-N 3.03Å; F276-E280 VanDerWaalsContact O-N 3.17Å
277L97.3Very high96.3Very high19 Ų1923.6 Ų23.610%0.09911%0.114CC..Hα-helixtrans-65.2-36.1178.9-71.7178000113F203 L207 L238 F242 Y273 E280 F287F203-L277 HydrophobicContact CE1-CB 4.08Å; F203-L277 WeakPolarHBondContact CE1-O 3Å; L207-L277 HydrophobicContact CD1-CB 4Å; L207-L277 HydrophobicContact CD1-CD1 4.2Å; L238-L277 HydrophobicContact CD1-CD2 4Å; F242-L277 HydrophobicContact CE1-CD1 4.41Å; F242-L277 HydrophobicContact CE2-CD2 4.15Å; F242-L277 HydrophobicContact CZ-CD1 4.1Å; F242-L277 HydrophobicContact CZ-CD2 3.75Å; F242-L277 HydrophobicContact CZ-CG 4.29Å; Y273-L277 WeakPolarHBondContact O-CB 3.32Å; Y273-L277 WeakPolarHBondContact O-CG 3.23Å; Y273-L277 PolarHBondContact O-N 3.38Å; L277-E280 PolarHBondContact O-N 2.9Å; L277-F287 HydrophobicContact CD2-CE2 4.31Å
278G97Very high96.1Very high0 Ų024.6 Ų24.60%013%0.126CC..Hα-helixtrans-52.7-63.4178.700000112.6E274 F276 E280 I281E274-G278 PolarHBondContact O-N 3.36Å; E274-G278 VanDerWaalsContact O-N 3.11Å; F276-G278 VanDerWaalsContact C-N 3.34Å; F276-G278 PolarHBondContact O-N 3.11Å; G278-E280 VanDerWaalsContact C-N 3.28Å; G278-E280 PolarHBondContact O-N 3.4Å; G278-I281 WeakPolarHBondContact O-CG1 3.3Å
279P97.5Very high95.8Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-68.2-21.8176.2-24.336.8000114.7V234 I281 F282 F328V234-P279 HydrophobicContact CG2-CB 3.72Å; P279-I281 PolarHBondContact O-N 3.37Å; P279-F282 PolarHBondContact O-N 2.66Å; P279-F282 VanDerWaalsContact O-N 3.15Å; P279-F328 HydrophobicContact CB-CB 4.36Å; P279-F328 HydrophobicContact CB-CD1 4.41Å; P279-F328 HydrophobicContact CB-CD2 3.7Å; P279-F328 HydrophobicContact CB-CE2 4.07Å; P279-F328 HydrophobicContact CB-CG 3.9Å; P279-F328 HydrophobicContact CG-CB 4.32Å; P279-F328 HydrophobicContact CG-CD1 3.63Å; P279-F328 HydrophobicContact CG-CD2 3.78Å; P279-F328 HydrophobicContact CG-CE1 3.8Å; P279-F328 HydrophobicContact CG-CE2 3.95Å; P279-F328 HydrophobicContact CG-CG 3.63Å; P279-F328 HydrophobicContact CG-CZ 3.95Å
280E97.6Very high95.4Very high0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-62.8-21.5-178.8-166.565.6-158.100112.2L238 F276 L277 G278 F282 F283 H284 F287 R334L238-E280 HydrophobicContact CD1-CG 4.08Å; L238-E280 HydrophobicContact CD2-CG 4.26Å; F276-E280 VanDerWaalsContact O-CB 3.3Å; F276-E280 WeakPolarHBondContact O-CB 3.29Å; F276-E280 PolarHBondContact O-N 3.03Å; F276-E280 VanDerWaalsContact O-N 3.17Å; L277-E280 PolarHBondContact O-N 2.9Å; G278-E280 VanDerWaalsContact C-N 3.28Å; G278-E280 PolarHBondContact O-N 3.4Å; E280-F282 PolarHBondContact O-N 2.75Å; E280-F282 VanDerWaalsContact O-N 3.08Å; E280-F283 CarbonylContact O-C 3.44Å; E280-F283 WeakPolarHBondContact O-CA 3.05Å; E280-F283 PolarHBondContact O-N 2.84Å; E280-H284 HydrophobicContact CG-CB 4.5Å; E280-H284 PolarHBondContact O-N 2.67Å; E280-H284 IonicContact OE1-CE1 3.73Å; E280-H284 PolarHBondContact OE1-CE1 3.42Å; E280-H284 IonicContact OE1-ND1 2.76Å; E280-H284 PolarHBondContact OE1-ND1 2.88Å; E280-F287 HydrophobicContact CG-CE2 4.12Å; E280-R334 IonicContact OE1-CZ 2.98Å; E280-R334 IonicContact OE1-NH1 2.67Å; E280-R334 PolarHBondContact OE1-NH1 3.4Å; E280-R334 IonicContact OE1-NH2 3.85Å; E280-R334 PolarHBondContact OE1-NH2 3.11Å; E280-R334 IonicContact OE2-NH1 2.82Å; E280-R334 PolarHBondContact OE2-NH1 3.2Å; E280-R334 VanDerWaalsContact OE2-NH1 3.08Å
281I97.1Very high95.3Very high0 Ų033.5 Ų33.50%018%0.176CC..THydrogen-bonded Turntrans-62.1-16.6175.877-179.8000113.2I195 I200 F203 G278 P279 F283 P285 F287 A288I195-I281 VanDerWaalsContact CD1-O 3.3Å; I195-I281 WeakPolarHBondContact CD1-O 3.49Å; I195-I281 HydrophobicContact CG2-CD1 3.77Å; I195-I281 HydrophobicContact CG2-CG1 3.73Å; I200-I281 HydrophobicContact CB-CD1 4.26Å; I200-I281 HydrophobicContact CG1-CD1 3.56Å; I200-I281 HydrophobicContact CG1-CG1 4Å; F203-I281 HydrophobicContact CD1-CG2 3.49Å; F203-I281 VanDerWaalsContact CD1-CG2 3.49Å; F203-I281 HydrophobicContact CE1-CG2 3.53Å; F203-I281 HydrophobicContact CG-CG2 4.15Å; F203-I281 HydrophobicContact CZ-CG2 4.24Å; G278-I281 WeakPolarHBondContact O-CG1 3.3Å; P279-I281 PolarHBondContact O-N 3.37Å; I281-F283 VanDerWaalsContact C-N 3.27Å; I281-P285 WeakPolarHBondContact O-CA 3.43Å; I281-P285 VanDerWaalsContact O-CB 3.32Å; I281-P285 WeakPolarHBondContact O-CB 3.34Å; I281-F287 HydrophobicContact CG2-CB 4.14Å; I281-A288 HydrophobicContact CB-CB 4.26Å; I281-A288 HydrophobicContact CD1-CB 4.02Å; I281-A288 HydrophobicContact CG2-CB 3.97Å
282F97.8Very high95.1Very high3 Ų335.2 Ų35.21%0.01318%0.183CC..THydrogen-bonded Turntrans-69.3-28.2168-80.4-64.5000112.9S170 T175 I195 I200 P279 E280 I296 F328 F331S170-F282 VanDerWaalsContact OG-CZ 3.24Å; S170-F282 WeakPolarHBondContact OG-CZ 3.38Å; T175-F282 HydrophobicContact CG2-CE1 4.26Å; I195-F282 HydrophobicContact CB-CE1 4.39Å; I195-F282 HydrophobicContact CG2-CD1 4.04Å; I195-F282 HydrophobicContact CG2-CE1 3.86Å; I195-F282 HydrophobicContact CG2-CZ 4.27Å; I200-F282 HydrophobicContact CD1-CD2 4.12Å; I200-F282 HydrophobicContact CD1-CE2 3.41Å; I200-F282 VanDerWaalsContact CD1-CE2 3.41Å; I200-F282 HydrophobicContact CD1-CZ 4Å; P279-F282 PolarHBondContact O-N 2.66Å; P279-F282 VanDerWaalsContact O-N 3.15Å; E280-F282 PolarHBondContact O-N 2.75Å; E280-F282 VanDerWaalsContact O-N 3.08Å; F282-I296 HydrophobicContact CB-CB 4.47Å; F282-I296 HydrophobicContact CB-CG2 3.99Å; F282-I296 HydrophobicContact CD1-CD1 3.96Å; F282-I296 HydrophobicContact CE1-CD1 4.39Å; F282-I296 WeakPolarHBondContact O-CB 3.25Å; F282-I296 VanDerWaalsContact O-CG2 3.31Å; F282-I296 WeakPolarHBondContact O-CG2 3.34Å; F282-I296 PolarHBondContact O-N 2.98Å; F282-F328 HydrophobicContact CE2-CE2 4.45Å; F282-F331 HydrophobicContact CB-CE2 4.15Å; F282-F331 HydrophobicContact CD2-CD2 4.44Å; F282-F331 AromaticContact CD2-CE2 3.58Å; F282-F331 HydrophobicContact CD2-CE2 3.58Å; F282-F331 HydrophobicContact CD2-CZ 4.41Å; F282-F331 HydrophobicContact CE2-CE2 4.04Å; F282-F331 AromaticContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CZ 4.46Å
283F97.6Very high95.1Very high4 Ų439.4 Ų39.42%0.01821%0.208CC..THydrogen-bonded Turntrans-105.3-21.6-175.8-58.8-81.6000113V234 E280 I281 P295 I296 F331 R334 L335V234-F283 HydrophobicContact CG1-CD2 4.24Å; V234-F283 HydrophobicContact CG1-CE2 3.7Å; V234-F283 HydrophobicContact CG1-CZ 4.34Å; V234-F283 HydrophobicContact CG2-CE2 4.06Å; E280-F283 CarbonylContact O-C 3.44Å; E280-F283 WeakPolarHBondContact O-CA 3.05Å; E280-F283 PolarHBondContact O-N 2.84Å; I281-F283 VanDerWaalsContact C-N 3.27Å; F283-P295 WeakPolarHBondContact O-CB 3.47Å; F283-P295 WeakPolarHBondContact O-CG 3.31Å; F283-I296 HydrophobicContact CD1-CG2 4.07Å; F283-I296 HydrophobicContact CE1-CG2 3.8Å; F283-I296 HydrophobicContact CZ-CG2 4.19Å; F283-F331 HydrophobicContact CE2-CD2 4.17Å; F283-F331 HydrophobicContact CE2-CE2 4.21Å; F283-F331 HydrophobicContact CZ-CD2 4.34Å; F283-F331 HydrophobicContact CZ-CE2 4.3Å; F283-R334 HydrophobicContact CD1-CG 3.82Å; F283-R334 HydrophobicContact CD2-CG 4.17Å; F283-R334 HydrophobicContact CE1-CB 4.22Å; F283-R334 HydrophobicContact CE1-CG 3.43Å; F283-R334 VanDerWaalsContact CE1-CG 3.43Å; F283-R334 HydrophobicContact CE2-CB 4.41Å; F283-R334 HydrophobicContact CE2-CG 3.81Å; F283-R334 HydrophobicContact CG-CG 4.18Å; F283-R334 HydrophobicContact CZ-CB 3.89Å; F283-R334 HydrophobicContact CZ-CG 3.43Å; F283-R334 VanDerWaalsContact CZ-CG 3.43Å; F283-L335 HydrophobicContact CE1-CB 4.33Å; F283-L335 HydrophobicContact CZ-CB 4.41Å
284H96.8Very high95.1Very high53 Ų5337.6 Ų37.625%0.24520%0.203CC..  trans-137.269.4173.8-62.596.3000108.8E280 E286 F287E280-H284 HydrophobicContact CG-CB 4.5Å; E280-H284 PolarHBondContact O-N 2.67Å; E280-H284 IonicContact OE1-CE1 3.73Å; E280-H284 PolarHBondContact OE1-CE1 3.42Å; E280-H284 IonicContact OE1-ND1 2.76Å; E280-H284 PolarHBondContact OE1-ND1 2.88Å; H284-E286 VanDerWaalsContact CA-OE2 3.3Å; H284-E286 WeakPolarHBondContact CA-OE2 3.4Å; H284-E286 IonicContact CD2-OE1 3.63Å; H284-E286 PolarHBondContact O-N 3.12Å; H284-F287 HydrophobicContact CB-CD1 4.35Å; H284-F287 HydrophobicContact CB-CD2 3.87Å; H284-F287 HydrophobicContact CB-CE1 4.09Å; H284-F287 HydrophobicContact CB-CE2 3.58Å; H284-F287 HydrophobicContact CB-CG 4.24Å; H284-F287 HydrophobicContact CB-CZ 3.69Å; H284-F287 WeakPolarHBondContact O-CB 3.17Å; H284-F287 WeakPolarHBondContact O-CG 3.31Å; H284-F287 PolarHBondContact O-N 3.08Å
285P96.2Very high95.2Very high0 Ų038.5 Ų38.50%021%0.208CC..G310 helixtrans-63-22.1-17329-39.1000114.7I195 I281 F287 A288 N289 F292I195-P285 HydrophobicContact CD1-CB 3.29Å; I281-P285 WeakPolarHBondContact O-CA 3.43Å; I281-P285 VanDerWaalsContact O-CB 3.32Å; I281-P285 WeakPolarHBondContact O-CB 3.34Å; P285-F287 PolarHBondContact O-N 3.36Å; P285-A288 PolarHBondContact O-N 3Å; P285-N289 PolarHBondContact O-N 2.76Å; P285-F292 CarbonylContact C-O 3.51Å; P285-F292 HydrophobicContact CB-CD1 3.68Å; P285-F292 HydrophobicContact CB-CE1 4.13Å; P285-F292 WeakPolarHBondContact CB-O 3.24Å; P285-F292 HydrophobicContact CG-CD1 3.95Å; P285-F292 HydrophobicContact CG-CE1 4.15Å; P285-F292 VanDerWaalsContact CG-O 3.27Å; P285-F292 WeakPolarHBondContact CG-O 3.08Å
286E95.2Very high95.3Very high81 Ų8137.4 Ų37.438%0.37920%0.204SC..G310 helixtrans-57.5-18.4174.765.7-87.5-159.100113.7H284 A288 T293H284-E286 VanDerWaalsContact CA-OE2 3.3Å; H284-E286 WeakPolarHBondContact CA-OE2 3.4Å; H284-E286 IonicContact CD2-OE1 3.63Å; H284-E286 PolarHBondContact O-N 3.12Å; E286-A288 VanDerWaalsContact C-N 3.29Å; E286-A288 PolarHBondContact O-N 2.72Å; E286-T293 HydrophobicContact CB-CG2 4.14Å
287F93.2Very high95.3Very high80 Ų8037.8 Ų37.835%0.35121%0.207SC..G310 helixtrans-67.5-28.6174.9-66.6-10000113.4F203 L238 L277 E280 I281 H284 P285F203-F287 HydrophobicContact CE2-CB 4.41Å; F203-F287 VanDerWaalsContact CE2-O 3.27Å; F203-F287 WeakPolarHBondContact CE2-O 3.4Å; F203-F287 HydrophobicContact CZ-CB 3.99Å; L238-F287 HydrophobicContact CD2-CE2 3.72Å; L238-F287 HydrophobicContact CD2-CZ 3.68Å; L277-F287 HydrophobicContact CD2-CE2 4.31Å; E280-F287 HydrophobicContact CG-CE2 4.12Å; I281-F287 HydrophobicContact CG2-CB 4.14Å; H284-F287 HydrophobicContact CB-CD1 4.35Å; H284-F287 HydrophobicContact CB-CD2 3.87Å; H284-F287 HydrophobicContact CB-CE1 4.09Å; H284-F287 HydrophobicContact CB-CE2 3.58Å; H284-F287 HydrophobicContact CB-CG 4.24Å; H284-F287 HydrophobicContact CB-CZ 3.69Å; H284-F287 WeakPolarHBondContact O-CB 3.17Å; H284-F287 WeakPolarHBondContact O-CG 3.31Å; H284-F287 PolarHBondContact O-N 3.08Å; P285-F287 PolarHBondContact O-N 3.36Å
288A90.9Very high95.3Very high44 Ų4441.5 Ų41.536%0.36422%0.224SC..THydrogen-bonded Turntrans-119.9-27.1-177.800000113F203 I281 P285 E286F203-A288 HydrophobicContact CB-CB 4.32Å; F203-A288 HydrophobicContact CD2-CB 3.99Å; F203-A288 HydrophobicContact CG-CB 4.14Å; I281-A288 HydrophobicContact CB-CB 4.26Å; I281-A288 HydrophobicContact CD1-CB 4.02Å; I281-A288 HydrophobicContact CG2-CB 3.97Å; P285-A288 PolarHBondContact O-N 3Å; E286-A288 VanDerWaalsContact C-N 3.29Å; E286-A288 PolarHBondContact O-N 2.72Å
289N88.9Confident95.4Very high40 Ų4041.6 Ų41.621%0.21423%0.225CC..  trans-131.9101.6-179.6-171.2-23.1000110.1P285 D291 F292P285-N289 PolarHBondContact O-N 2.76Å; N289-D291 PolarHBondContact O-N 2.82Å; N289-D291 WeakPolarHBondContact OD1-CB 3.33Å; N289-D291 PolarHBondContact OD1-N 2.93Å; N289-F292 HydrophobicContact CB-CB 4.25Å; N289-F292 PolarHBondContact O-N 3.17Å; N289-F292 PolarHBondContact OD1-N 2.96Å
290P87.4Confident95.5Very high103 Ų10341.6 Ų41.667%0.66923%0.225SC*.THydrogen-bonded Turntrans-65.8-20.4-178.728-34.9000113.1
291D91.7Very high95.5Very high156 Ų15642.4 Ų42.483%0.83423%0.229SC*.THydrogen-bonded Turntrans-87.6-11.4-179.8-60.1-41.8000112.7N289N289-D291 PolarHBondContact O-N 2.82Å; N289-D291 WeakPolarHBondContact OD1-CB 3.33Å; N289-D291 PolarHBondContact OD1-N 2.93Å
292F93.4Very high95.6Very high36 Ų3645 Ų4516%0.15824%0.241CC..  trans-127.2106.4179.5-173.5-96.5000110.6I193 P194 I195 P285 N289 Q294 V299I193-F292 HydrophobicContact CG2-CE1 3.74Å; I193-F292 HydrophobicContact CG2-CZ 3.99Å; P194-F292 HydrophobicContact CG-CB 3.88Å; P194-F292 HydrophobicContact CG-CD1 3.96Å; P194-F292 HydrophobicContact CG-CD2 3.74Å; P194-F292 HydrophobicContact CG-CE2 4.29Å; P194-F292 HydrophobicContact CG-CG 3.56Å; I195-F292 HydrophobicContact CD1-CD1 4.23Å; P285-F292 CarbonylContact C-O 3.51Å; P285-F292 HydrophobicContact CB-CD1 3.68Å; P285-F292 HydrophobicContact CB-CE1 4.13Å; P285-F292 WeakPolarHBondContact CB-O 3.24Å; P285-F292 HydrophobicContact CG-CD1 3.95Å; P285-F292 HydrophobicContact CG-CE1 4.15Å; P285-F292 VanDerWaalsContact CG-O 3.27Å; P285-F292 WeakPolarHBondContact CG-O 3.08Å; N289-F292 HydrophobicContact CB-CB 4.25Å; N289-F292 PolarHBondContact O-N 3.17Å; N289-F292 PolarHBondContact OD1-N 2.96Å; F292-Q294 HydrophobicContact CE1-CB 4.48Å; F292-Q294 WeakPolarHBondContact CE1-O 3.36Å; F292-Q294 HydrophobicContact CE2-CB 4.36Å; F292-Q294 HydrophobicContact CZ-CB 4.03Å; F292-V299 HydrophobicContact CZ-CG2 4.11Å
293T95.2Very high95.6Very high92 Ų9244.9 Ų44.956%0.56424%0.241SC*.  trans-111.61.3-172.561.70000114.1E286 P295E286-T293 HydrophobicContact CB-CG2 4.14Å; T293-P295 WeakPolarHBondContact O-CD 3.45Å
294Q96.9Very high95.7Very high52 Ų5244.7 Ų44.724%0.24324%0.24CC..  trans-88.3116.8-172.9-169.6-177.86.800111.8F292 E298 V299 E302F292-Q294 HydrophobicContact CE1-CB 4.48Å; F292-Q294 WeakPolarHBondContact CE1-O 3.36Å; F292-Q294 HydrophobicContact CE2-CB 4.36Å; F292-Q294 HydrophobicContact CZ-CB 4.03Å; Q294-E298 HydrophobicContact CG-CB 3.91Å; Q294-V299 HydrophobicContact CB-CG2 4.29Å; Q294-V299 HydrophobicContact CG-CG2 3.78Å; Q294-E302 PolarHBondContact NE2-OE2 3.27Å
295P97.5Very high95.7Very high21 Ų2144.5 Ų44.514%0.13624%0.239CC..  trans-60.7148.1177.4-23.734.8000112.6F283 T293 S297 E298 V299F283-P295 WeakPolarHBondContact O-CB 3.47Å; F283-P295 WeakPolarHBondContact O-CG 3.31Å; T293-P295 WeakPolarHBondContact O-CD 3.45Å; P295-S297 PolarHBondContact O-N 2.78Å; P295-S297 VanDerWaalsContact O-N 3.12Å; P295-E298 HydrophobicContact CB-CG 4.47Å; P295-E298 HydrophobicContact CG-CG 4.44Å; P295-E298 WeakPolarHBondContact O-CA 3.31Å; P295-E298 WeakPolarHBondContact O-CB 3.45Å; P295-E298 PolarHBondContact O-N 2.64Å; P295-V299 PolarHBondContact O-N 3.08Å; P295-V299 VanDerWaalsContact O-N 3.08Å
296I98.1Very high95.8Very high1 Ų148.8 Ų48.81%0.00526%0.262CS..Hα-helixtrans-55.8-34.7179.3-172.7159.8000112.8I168 T175 I193 F282 F283 E298 V299 V300 F331 L335I168-I296 HydrophobicContact CG2-CD1 3.87Å; T175-I296 HydrophobicContact CG2-CD1 4.23Å; I193-I296 HydrophobicContact CD1-CB 4.07Å; I193-I296 HydrophobicContact CD1-CD1 3.85Å; I193-I296 HydrophobicContact CD1-CG1 3.57Å; F282-I296 HydrophobicContact CB-CB 4.47Å; F282-I296 HydrophobicContact CB-CG2 3.99Å; F282-I296 HydrophobicContact CD1-CD1 3.96Å; F282-I296 HydrophobicContact CE1-CD1 4.39Å; F282-I296 WeakPolarHBondContact O-CB 3.25Å; F282-I296 VanDerWaalsContact O-CG2 3.31Å; F282-I296 WeakPolarHBondContact O-CG2 3.34Å; F282-I296 PolarHBondContact O-N 2.98Å; F283-I296 HydrophobicContact CD1-CG2 4.07Å; F283-I296 HydrophobicContact CE1-CG2 3.8Å; F283-I296 HydrophobicContact CZ-CG2 4.19Å; I296-E298 VanDerWaalsContact C-N 3.29Å; I296-E298 PolarHBondContact O-N 2.61Å; I296-V299 PolarHBondContact O-N 3.01Å; I296-V300 HydrophobicContact CG1-CG2 4.26Å; I296-V300 WeakPolarHBondContact O-CB 3.2Å; I296-V300 WeakPolarHBondContact O-CG2 3.42Å; I296-V300 PolarHBondContact O-N 2.86Å; I296-F331 HydrophobicContact CD1-CZ 4.09Å; I296-L335 HydrophobicContact CG2-CD1 4.13Å
297S98Very high96Very high8 Ų845 Ų456%0.05624%0.244CC..Hα-helixtrans-62-36.9175.248.70000112.4P295 D301 L339P295-S297 PolarHBondContact O-N 2.78Å; P295-S297 VanDerWaalsContact O-N 3.12Å; S297-D301 PolarHBondContact O-N 3.1Å; S297-D301 VanDerWaalsContact O-N 3.12Å; S297-L339 WeakPolarHBondContact O-CD2 3.47Å
298E98Very high96.2Very high98 Ų9844.3 Ų44.346%0.45825%0.248SC..Hα-helixtrans-75.2-39.7177.5-65.9-174.2-169.700111.4Q294 P295 I296 V300 D301 E302Q294-E298 HydrophobicContact CG-CB 3.91Å; P295-E298 HydrophobicContact CB-CG 4.47Å; P295-E298 HydrophobicContact CG-CG 4.44Å; P295-E298 WeakPolarHBondContact O-CA 3.31Å; P295-E298 WeakPolarHBondContact O-CB 3.45Å; P295-E298 PolarHBondContact O-N 2.64Å; I296-E298 VanDerWaalsContact C-N 3.29Å; I296-E298 PolarHBondContact O-N 2.61Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 2.71Å; E298-D301 PolarHBondContact O-N 3.24Å; E298-E302 WeakPolarHBondContact O-CB 3.31Å; E298-E302 PolarHBondContact O-N 2.88Å
299V98.4Very high96.5Very high2 Ų248.8 Ų48.81%0.01226%0.264CS..Hα-helixtrans-58.2-44.2173.9-178.40000110.4V177 K191 I193 F292 Q294 P295 I296 E302 V303V177-V299 HydrophobicContact CG2-CG1 4.05Å; K191-V299 HydrophobicContact CB-CG1 3.63Å; K191-V299 HydrophobicContact CG-CG1 4.19Å; I193-V299 HydrophobicContact CD1-CB 4.01Å; I193-V299 HydrophobicContact CD1-CG1 3.96Å; I193-V299 HydrophobicContact CD1-CG2 4.07Å; I193-V299 HydrophobicContact CG1-CB 4.39Å; I193-V299 HydrophobicContact CG1-CG1 3.95Å; I193-V299 HydrophobicContact CG1-CG2 4.21Å; F292-V299 HydrophobicContact CZ-CG2 4.11Å; Q294-V299 HydrophobicContact CB-CG2 4.29Å; Q294-V299 HydrophobicContact CG-CG2 3.78Å; P295-V299 PolarHBondContact O-N 3.08Å; P295-V299 VanDerWaalsContact O-N 3.08Å; I296-V299 PolarHBondContact O-N 3.01Å; V299-E302 PolarHBondContact O-N 2.95Å; V299-V303 WeakPolarHBondContact O-CG2 3.36Å; V299-V303 PolarHBondContact O-N 3.04Å
300V98.7Very high96.8Very high0 Ų052.6 Ų52.60%029%0.285CS..Hα-helixtrans-64-43.5178.5173.80000111.8T166 I168 V177 I296 E298 V303 I304 I319 L339T166-V300 HydrophobicContact CG2-CG1 4.32Å; I168-V300 HydrophobicContact CD1-CB 4.48Å; I168-V300 HydrophobicContact CD1-CG1 4.29Å; I168-V300 HydrophobicContact CD1-CG2 3.38Å; I168-V300 HydrophobicContact CG1-CG2 3.87Å; V177-V300 HydrophobicContact CG1-CB 4.37Å; V177-V300 HydrophobicContact CG1-CG2 3.88Å; V177-V300 HydrophobicContact CG2-CG2 3.79Å; I296-V300 HydrophobicContact CG1-CG2 4.26Å; I296-V300 WeakPolarHBondContact O-CB 3.2Å; I296-V300 WeakPolarHBondContact O-CG2 3.42Å; I296-V300 PolarHBondContact O-N 2.86Å; E298-V300 VanDerWaalsContact C-N 3.28Å; E298-V300 PolarHBondContact O-N 2.71Å; V300-V303 PolarHBondContact O-N 2.84Å; V300-I304 HydrophobicContact CG1-CD1 4.05Å; V300-I304 WeakPolarHBondContact O-CG1 3.27Å; V300-I304 PolarHBondContact O-N 3.46Å; V300-I304 VanDerWaalsContact O-N 3.15Å; V300-I319 HydrophobicContact CG1-CD1 4.15Å; V300-L339 HydrophobicContact CB-CD1 4.24Å; V300-L339 HydrophobicContact CB-CD2 4.03Å; V300-L339 HydrophobicContact CG1-CD1 3.75Å; V300-L339 HydrophobicContact CG1-CD2 3.94Å; V300-L339 HydrophobicContact CG1-CG 4.48Å
301D98.6Very high97.3Very high17 Ų1748.7 Ų48.79%0.09126%0.259CS..Hα-helixtrans-62.1-43.3175.3-173.966.5000111.8S297 E298 I304 Q305 Y316 L339 T342 R346S297-D301 PolarHBondContact O-N 3.1Å; S297-D301 VanDerWaalsContact O-N 3.12Å; E298-D301 PolarHBondContact O-N 3.24Å; D301-I304 PolarHBondContact O-N 2.83Å; D301-Q305 WeakPolarHBondContact O-CB 3.42Å; D301-Q305 WeakPolarHBondContact O-CG 3.17Å; D301-Q305 PolarHBondContact O-N 3.3Å; D301-Y316 PolarHBondContact O-OH 2.96Å; D301-Y316 PolarHBondContact OD1-OH 3.27Å; D301-L339 HydrophobicContact CB-CD2 3.94Å; D301-T342 HydrophobicContact CB-CG2 4.38Å; D301-R346 IonicContact OD1-CZ 3.45Å; D301-R346 IonicContact OD1-NH1 3.36Å; D301-R346 PolarHBondContact OD1-NH1 3.25Å; D301-R346 IonicContact OD1-NH2 2.68Å; D301-R346 PolarHBondContact OD1-NH2 2.95Å; D301-R346 IonicContact OD2-CZ 3.86Å; D301-R346 IonicContact OD2-NH1 3.75Å; D301-R346 PolarHBondContact OD2-NH1 2.87Å; D301-R346 IonicContact OD2-NH2 2.72Å
302E98.5Very high97.6Very high55 Ų5544.2 Ų44.226%0.25723%0.23SC..Hα-helixtrans-60.5-47.7177.2-172.3-166.8155.700111.7K191 Q294 E298 V299 I304 Q305 N306K191-E302 WeakPolarHBondContact CE-OE1 3.23Å; K191-E302 IonicContact NZ-OE1 2.85Å; K191-E302 PolarHBondContact NZ-OE1 2.83Å; K191-E302 IonicContact NZ-OE2 2.77Å; Q294-E302 PolarHBondContact NE2-OE2 3.27Å; E298-E302 WeakPolarHBondContact O-CB 3.31Å; E298-E302 PolarHBondContact O-N 2.88Å; V299-E302 PolarHBondContact O-N 2.95Å; E302-I304 VanDerWaalsContact C-N 3.32Å; E302-I304 PolarHBondContact O-N 3.48Å; E302-Q305 PolarHBondContact O-N 2.98Å; E302-N306 PolarHBondContact O-N 3.29Å; E302-N306 PolarHBondContact O-ND2 3.19Å
303V98.7Very high97.7Very high0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-54.6-49.4176.4165.30000110.9V177 P179 C189 K191 V299 V300 Q305 N306 C307V177-V303 HydrophobicContact CB-CG2 3.92Å; V177-V303 HydrophobicContact CG1-CB 3.87Å; V177-V303 HydrophobicContact CG1-CG1 3.89Å; V177-V303 HydrophobicContact CG1-CG2 3.75Å; P179-V303 HydrophobicContact CB-CG1 4.01Å; P179-V303 HydrophobicContact CG-CG1 3.63Å; C189-V303 WeakPolarHBondContact O-CG1 3.04Å; C189-V303 WeakPolarHBondContact O-CG2 3.44Å; K191-V303 HydrophobicContact CB-CG2 3.61Å; K191-V303 HydrophobicContact CG-CG2 3.37Å; V299-V303 WeakPolarHBondContact O-CG2 3.36Å; V299-V303 PolarHBondContact O-N 3.04Å; V300-V303 PolarHBondContact O-N 2.84Å; V303-Q305 PolarHBondContact O-N 2.99Å; V303-N306 PolarHBondContact O-N 2.92Å; V303-C307 PolarHBondContact O-N 3.44Å; V303-C307 PolarHBondContact O-SG 3.03Å
304I98.7Very high97.8Very high0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-68.3-37.2-178.6-61.7170000110.7T166 V300 D301 E302 N306 C307 R312 L315 Y316 I319T166-I304 HydrophobicContact CG2-CD1 4.46Å; T166-I304 HydrophobicContact CG2-CG1 4.41Å; T166-I304 WeakPolarHBondContact OG1-CG1 3.37Å; V300-I304 HydrophobicContact CG1-CD1 4.05Å; V300-I304 WeakPolarHBondContact O-CG1 3.27Å; V300-I304 PolarHBondContact O-N 3.46Å; V300-I304 VanDerWaalsContact O-N 3.15Å; D301-I304 PolarHBondContact O-N 2.83Å; E302-I304 VanDerWaalsContact C-N 3.32Å; E302-I304 PolarHBondContact O-N 3.48Å; I304-N306 VanDerWaalsContact C-N 3.3Å; I304-N306 PolarHBondContact O-N 2.97Å; I304-C307 WeakPolarHBondContact O-CB 3.32Å; I304-C307 PolarHBondContact O-N 3.33Å; I304-R312 HydrophobicContact CG2-CB 3.92Å; I304-R312 HydrophobicContact CG2-CG 4.29Å; I304-R312 WeakPolarHBondContact O-CD 3Å; I304-R312 WeakPolarHBondContact O-CG 3.22Å; I304-L315 HydrophobicContact CD1-CB 4.32Å; I304-L315 HydrophobicContact CG1-CB 4.09Å; I304-L315 HydrophobicContact CG2-CB 3.87Å; I304-L315 HydrophobicContact CG2-CD1 4.21Å; I304-Y316 HydrophobicContact CB-CE1 4.2Å; I304-Y316 HydrophobicContact CB-CE2 4.07Å; I304-Y316 HydrophobicContact CD1-CD1 3.61Å; I304-Y316 HydrophobicContact CD1-CE1 3.62Å; I304-Y316 HydrophobicContact CD1-CG 4.08Å; I304-Y316 HydrophobicContact CG2-CD1 4.49Å; I304-Y316 HydrophobicContact CG2-CD2 3.66Å; I304-Y316 HydrophobicContact CG2-CE1 4.18Å; I304-Y316 HydrophobicContact CG2-CE2 3.26Å; I304-Y316 HydrophobicContact CG2-CG 4.23Å; I304-I319 HydrophobicContact CD1-CD1 4.24Å; I304-I319 HydrophobicContact CD1-CG1 4.49Å
305Q98.2Very high97.9Very high48 Ų4843.3 Ų43.322%0.22422%0.22CC..Hα-helixtrans-68.8-25.4176.1-73.4-51.4-57.400113.9D301 E302 V303 C307 R312 Y316 R346D301-Q305 WeakPolarHBondContact O-CB 3.42Å; D301-Q305 WeakPolarHBondContact O-CG 3.17Å; D301-Q305 PolarHBondContact O-N 3.3Å; E302-Q305 PolarHBondContact O-N 2.98Å; V303-Q305 PolarHBondContact O-N 2.99Å; Q305-C307 VanDerWaalsContact C-N 3.33Å; Q305-R312 PolarHBondContact O-NE 2.92Å; Q305-R312 PolarHBondContact O-NH1 2.66Å; Q305-R312 PolarHBondContact O-NH2 3.06Å; Q305-Y316 PolarHBondContact NE2-OH 3.33Å; Q305-R346 VanDerWaalsContact NE2-CZ 3.29Å; Q305-R346 VanDerWaalsContact NE2-NH2 3.17Å
306N98.3Very high97.9Very high90 Ų9042.3 Ų42.348%0.48121%0.214SC..Hα-helixtrans-79.6-17.3174.5-71.5-26.8000112.9C189 E302 V303 I304C189-N306 HydrophobicContact CB-CB 4.42Å; C189-N306 PolarHBondContact SG-O 3.48Å; C189-N306 VanDerWaalsContact SG-O 3.34Å; E302-N306 PolarHBondContact O-N 3.29Å; E302-N306 PolarHBondContact O-ND2 3.19Å; V303-N306 PolarHBondContact O-N 2.92Å; I304-N306 VanDerWaalsContact C-N 3.3Å; I304-N306 PolarHBondContact O-N 2.97Å
307C98.5Very high97.8Very high1 Ų147.5 Ų47.51%0.00724%0.236CC..SBendtrans-70.7160.1175.7-64.90000112.4P179 I186 V303 I304 Q305 V311 R312 L315P179-C307 WeakPolarHBondContact CB-SG 3.21Å; I186-C307 HydrophobicContact CD1-CB 4.17Å; V303-C307 PolarHBondContact O-N 3.44Å; V303-C307 PolarHBondContact O-SG 3.03Å; I304-C307 WeakPolarHBondContact O-CB 3.32Å; I304-C307 PolarHBondContact O-N 3.33Å; Q305-C307 VanDerWaalsContact C-N 3.33Å; C307-V311 HydrophobicContact CB-CG2 3.95Å; C307-R312 PolarHBondContact O-NE 2.9Å; C307-R312 PolarHBondContact O-NH2 3.48Å; C307-L315 HydrophobicContact CB-CD1 3.76Å
308P98Very high97.7Very high67 Ų6747.5 Ų47.544%0.43524%0.236SC..  trans-51.4143.3170.7-27.536.8000112.8D310 V311 R312P308-D310 VanDerWaalsContact C-N 3.26Å; P308-D310 WeakPolarHBondContact CB-OD1 3.34Å; P308-D310 PolarHBondContact O-N 3.46Å; P308-V311 HydrophobicContact CB-CG2 4.23Å; P308-V311 WeakPolarHBondContact O-CG2 3.3Å; P308-V311 PolarHBondContact O-N 2.93Å; P308-R312 VanDerWaalsContact O-CG 3.27Å; P308-R312 WeakPolarHBondContact O-CG 3.3Å
309I95.9Very high97.7Very high137 Ų13742.9 Ų42.970%0.70321%0.214SC*.THydrogen-bonded Turntrans-63-31.1-168.1-166.8167.3000113.7
310D96.4Very high97.7Very high120 Ų12042.8 Ų42.864%0.64221%0.213SC*.THydrogen-bonded Turntrans-69.4-32.9-178.654.4-42.9000112.9P308P308-D310 VanDerWaalsContact C-N 3.26Å; P308-D310 WeakPolarHBondContact CB-OD1 3.34Å; P308-D310 PolarHBondContact O-N 3.46Å
311V96.9Very high97.6Very high22 Ų2242.8 Ų42.813%0.13321%0.213CC..THydrogen-bonded Turntrans-89.5-16.6-179.4-59.10000113.7A181 I186 C307 P308 R313 P314 L315A181-V311 HydrophobicContact CB-CB 4.39Å; A181-V311 HydrophobicContact CB-CG1 3.9Å; I186-V311 HydrophobicContact CD1-CG2 3.98Å; C307-V311 HydrophobicContact CB-CG2 3.95Å; P308-V311 HydrophobicContact CB-CG2 4.23Å; P308-V311 WeakPolarHBondContact O-CG2 3.3Å; P308-V311 PolarHBondContact O-N 2.93Å; V311-R313 VanDerWaalsContact C-N 3.34Å; V311-R313 PolarHBondContact O-N 3.29Å; V311-P314 WeakPolarHBondContact O-CD 3.41Å; V311-L315 HydrophobicContact CB-CD1 4.42Å; V311-L315 HydrophobicContact CG2-CD1 3.89Å; V311-L315 HydrophobicContact CG2-CG 4.5Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.3Å; V311-L315 PolarHBondContact O-N 2.72Å
312R98.1Very high97.5Very high62 Ų6242 Ų4223%0.23421%0.21CC..Hα-helixtrans-57.6-41.5-172.2-57.1-167.8-173.9165.85.8114.1I304 Q305 C307 P308 L315 Y316I304-R312 HydrophobicContact CG2-CB 3.92Å; I304-R312 HydrophobicContact CG2-CG 4.29Å; I304-R312 WeakPolarHBondContact O-CD 3Å; I304-R312 WeakPolarHBondContact O-CG 3.22Å; Q305-R312 PolarHBondContact O-NE 2.92Å; Q305-R312 PolarHBondContact O-NH1 2.66Å; Q305-R312 PolarHBondContact O-NH2 3.06Å; C307-R312 PolarHBondContact O-NE 2.9Å; C307-R312 PolarHBondContact O-NH2 3.48Å; P308-R312 VanDerWaalsContact O-CG 3.27Å; P308-R312 WeakPolarHBondContact O-CG 3.3Å; R312-L315 WeakPolarHBondContact O-CB 3.41Å; R312-L315 PolarHBondContact O-N 3.08Å; R312-Y316 WeakPolarHBondContact O-CD2 3.39Å; R312-Y316 PolarHBondContact O-N 3.07Å
313R97Very high97.4Very high107 Ų10739.8 Ų39.840%0.40420%0.202SC..Hα-helixtrans-64.7-51.1-179-77177.9177-81.4-6111.5V311 L315 Y316 K317 K361 P362 I363V311-R313 VanDerWaalsContact C-N 3.34Å; V311-R313 PolarHBondContact O-N 3.29Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 3.42Å; R313-Y316 PolarHBondContact O-N 3.36Å; R313-K317 WeakPolarHBondContact O-CB 3.29Å; R313-K317 PolarHBondContact O-N 2.77Å; R313-K361 PolarHBondContact NH1-O 3.46Å; R313-K361 PolarHBondContact NH2-O 2.97Å; R313-P362 PolarHBondContact NH1-O 3.06Å; R313-I363 HydrophobicContact CG-CG1 4.29Å
314P96.5Very high97.2Very high54 Ų5441.7 Ų41.735%0.35122%0.221SC..Hα-helixtrans-51.9-43.2168.2-30.734.2000114.2T164 V311 Y316 K317 N318T164-P314 HydrophobicContact CG2-CB 3.41Å; T164-P314 VanDerWaalsContact CG2-CB 3.41Å; T164-P314 HydrophobicContact CG2-CG 4.41Å; V311-P314 WeakPolarHBondContact O-CD 3.41Å; P314-Y316 PolarHBondContact O-N 2.77Å; P314-K317 PolarHBondContact O-N 3.3Å; P314-N318 PolarHBondContact O-N 3.47Å; P314-N318 VanDerWaalsContact O-N 3.12Å
315L98.2Very high97Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-61.2-45.5179.3-68.5177.7000112.7T164 G165 P179 V180 I304 C307 V311 R312 R313 K317 N318 I319T164-L315 HydrophobicContact CG2-CD2 4.38Å; G165-L315 VanDerWaalsContact O-CD2 3.26Å; G165-L315 WeakPolarHBondContact O-CD2 3.47Å; P179-L315 HydrophobicContact CB-CD1 4.12Å; P179-L315 HydrophobicContact CB-CD2 4.3Å; V180-L315 VanDerWaalsContact O-CD2 3.32Å; V180-L315 WeakPolarHBondContact O-CD2 3.26Å; I304-L315 HydrophobicContact CD1-CB 4.32Å; I304-L315 HydrophobicContact CG1-CB 4.09Å; I304-L315 HydrophobicContact CG2-CB 3.87Å; I304-L315 HydrophobicContact CG2-CD1 4.21Å; C307-L315 HydrophobicContact CB-CD1 3.76Å; V311-L315 HydrophobicContact CB-CD1 4.42Å; V311-L315 HydrophobicContact CG2-CD1 3.89Å; V311-L315 HydrophobicContact CG2-CG 4.5Å; V311-L315 VanDerWaalsContact O-CG 3.28Å; V311-L315 WeakPolarHBondContact O-CG 3.3Å; V311-L315 PolarHBondContact O-N 2.72Å; R312-L315 WeakPolarHBondContact O-CB 3.41Å; R312-L315 PolarHBondContact O-N 3.08Å; R313-L315 VanDerWaalsContact C-N 3.29Å; R313-L315 PolarHBondContact O-N 3.42Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-K317 PolarHBondContact O-N 3.32Å; L315-N318 CarbonylContact O-C 3.56Å; L315-N318 PolarHBondContact O-N 3.06Å; L315-I319 WeakPolarHBondContact O-CG1 3.45Å
316Y98.2Very high97Very high0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-65.7-34.4174-77.4-66.5000113.4D301 I304 Q305 R312 R313 P314 N318 I319 V343 R346 I363 D364 V365 Q366D301-Y316 PolarHBondContact O-OH 2.96Å; D301-Y316 PolarHBondContact OD1-OH 3.27Å; I304-Y316 HydrophobicContact CB-CE1 4.2Å; I304-Y316 HydrophobicContact CB-CE2 4.07Å; I304-Y316 HydrophobicContact CD1-CD1 3.61Å; I304-Y316 HydrophobicContact CD1-CE1 3.62Å; I304-Y316 HydrophobicContact CD1-CG 4.08Å; I304-Y316 HydrophobicContact CG2-CD1 4.49Å; I304-Y316 HydrophobicContact CG2-CD2 3.66Å; I304-Y316 HydrophobicContact CG2-CE1 4.18Å; I304-Y316 HydrophobicContact CG2-CE2 3.26Å; I304-Y316 HydrophobicContact CG2-CG 4.23Å; Q305-Y316 PolarHBondContact NE2-OH 3.33Å; R312-Y316 WeakPolarHBondContact O-CD2 3.39Å; R312-Y316 PolarHBondContact O-N 3.07Å; R313-Y316 PolarHBondContact O-N 3.36Å; P314-Y316 PolarHBondContact O-N 2.77Å; Y316-N318 PolarHBondContact O-N 3.28Å; Y316-I319 HydrophobicContact CD1-CD1 4.49Å; Y316-V343 HydrophobicContact CD1-CG2 3.86Å; Y316-V343 HydrophobicContact CE1-CG2 3.46Å; Y316-V343 VanDerWaalsContact CE1-CG2 3.46Å; Y316-R346 PolarHBondContact OH-NH2 3.39Å; Y316-I363 HydrophobicContact CD2-CD1 4.45Å; Y316-I363 HydrophobicContact CD2-CG2 3.69Å; Y316-I363 HydrophobicContact CG-CG2 3.76Å; Y316-D364 CarbonylContact C-O 3.59Å; Y316-V365 HydrophobicContact CD1-CG2 4.24Å; Y316-V365 HydrophobicContact CG-CG2 4.48Å; Y316-V365 WeakPolarHBondContact O-CA 3.38Å; Y316-Q366 PolarHBondContact O-N 3.35Å
317K96.2Very high96.9Very high109 Ų10939.7 Ų39.747%0.47421%0.211SC..Hα-helixtrans-72.4-16.1-179.4-171.6-173171.9-161.50112.3R313 P314 L315 D364 Q366R313-K317 WeakPolarHBondContact O-CB 3.29Å; R313-K317 PolarHBondContact O-N 2.77Å; P314-K317 PolarHBondContact O-N 3.3Å; L315-K317 VanDerWaalsContact C-N 3.33Å; L315-K317 PolarHBondContact O-N 3.32Å; K317-D364 VanDerWaalsContact CA-O 3.28Å; K317-D364 WeakPolarHBondContact CA-O 3.41Å; K317-D364 HydrophobicContact CG-CB 4.38Å; K317-D364 PolarHBondContact N-O 3.01Å; K317-Q366 WeakPolarHBondContact O-CB 3.43Å
318N96.5Very high96.8Very high9 Ų940.8 Ų40.85%0.04822%0.215CC..  trans-140.469.7-175.3-169.629.9000111.5T164 G165 T166 P314 L315 Y316T164-N318 PolarHBondContact O-ND2 3.25Å; G165-N318 CarbonylContact C-O 3.6Å; G165-N318 WeakPolarHBondContact CA-O 3.27Å; T166-N318 PolarHBondContact N-O 2.68Å; P314-N318 PolarHBondContact O-N 3.47Å; P314-N318 VanDerWaalsContact O-N 3.12Å; L315-N318 CarbonylContact O-C 3.56Å; L315-N318 PolarHBondContact O-N 3.06Å; Y316-N318 PolarHBondContact O-N 3.28Å
319I98.2Very high96.7Very high0 Ų044.8 Ų44.80%022%0.222CC..EExtended strand (participates in β ladder)trans-92.3100.5176.1-56175.1000108.6T166 I168 V300 I304 L315 Y316 L339 V365 Q366 V367 I368T166-I319 CarbonylContact O-C 3.51Å; T166-I319 WeakPolarHBondContact O-CA 3.43Å; I168-I319 HydrophobicContact CD1-CG2 3.51Å; I168-I319 HydrophobicContact CG1-CG2 4.09Å; V300-I319 HydrophobicContact CG1-CD1 4.15Å; I304-I319 HydrophobicContact CD1-CD1 4.24Å; I304-I319 HydrophobicContact CD1-CG1 4.49Å; L315-I319 WeakPolarHBondContact O-CG1 3.45Å; Y316-I319 HydrophobicContact CD1-CD1 4.49Å; I319-L339 HydrophobicContact CD1-CD1 3.62Å; I319-V365 HydrophobicContact CD1-CG1 4.38Å; I319-Q366 WeakPolarHBondContact CB-O 3.47Å; I319-Q366 PolarHBondContact N-O 2.88Å; I319-V367 HydrophobicContact CB-CG2 4.17Å; I319-V367 HydrophobicContact CD1-CG2 4.41Å; I319-V367 HydrophobicContact CG2-CG2 4.24Å; I319-V367 CarbonylContact O-C 3.47Å; I319-V367 VanDerWaalsContact O-CA 3.32Å; I319-V367 WeakPolarHBondContact O-CA 3.45Å; I319-I368 PolarHBondContact O-N 3.32Å
320V97.2Very high96.7Very high0 Ų040.6 Ų40.60%020%0.201CC..EExtended strand (participates in β ladder)trans-90.5128.4-176174.50000110.6L149 T166 V167 I168 I368L149-V320 HydrophobicContact CD2-CB 4.3Å; L149-V320 HydrophobicContact CD2-CG2 3.7Å; T166-V320 PolarHBondContact O-N 3.18Å; V167-V320 CarbonylContact C-O 3.53Å; V167-V320 WeakPolarHBondContact CA-O 3.42Å; I168-V320 PolarHBondContact N-O 3Å; V320-I368 HydrophobicContact CG2-CB 4.18Å; V320-I368 HydrophobicContact CG2-CG1 4.38Å
321L97.5Very high96.8Very high0 Ų034.9 Ų34.90%017%0.17CC..EExtended strand (participates in β ladder)trans-85.9139.5171-59.5-171.5000111I168 T326 F331 L335 V367 I368 T369 Q373I168-L321 HydrophobicContact CB-CD2 3.9Å; I168-L321 HydrophobicContact CD1-CD2 3.93Å; I168-L321 HydrophobicContact CG1-CD2 4.44Å; I168-L321 HydrophobicContact CG2-CD2 4.36Å; L321-T326 HydrophobicContact CB-CG2 4.22Å; L321-T326 HydrophobicContact CD2-CG2 4.47Å; L321-F331 HydrophobicContact CD1-CD1 3.75Å; L321-F331 HydrophobicContact CD1-CE1 4.17Å; L321-F331 HydrophobicContact CD2-CE1 4.14Å; L321-L335 HydrophobicContact CD2-CD2 3.91Å; L321-V367 HydrophobicContact CD1-CG1 3.79Å; L321-V367 HydrophobicContact CD2-CG1 3.84Å; L321-V367 HydrophobicContact CG-CG1 3.64Å; L321-I368 PolarHBondContact N-O 2.72Å; L321-T369 HydrophobicContact CD1-CG2 4.04Å; L321-Q373 HydrophobicContact CB-CG 4.16Å; L321-Q373 WeakPolarHBondContact O-CG 3.17Å
322S96.1Very high96.8Very high2 Ų234.1 Ų34.11%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-141.2153174.3173.20000110.4I168 D169 S170 T326I168-S322 PolarHBondContact O-N 3.13Å; D169-S322 WeakPolarHBondContact CA-O 3.5Å; D169-S322 WeakPolarHBondContact OD1-CB 3.4Å; D169-S322 PolarHBondContact OD1-OG 3.36Å; S170-S322 PolarHBondContact N-O 2.9Å; S322-T326 WeakPolarHBondContact O-CG2 3.46Å; S322-T326 PolarHBondContact O-OG1 3.32Å
323G95.4Very high96.8Very high8 Ų839.9 Ų39.98%0.08219%0.188CC..SBendtrans90.5154.1174.500000113.5S170 S325 T326 Q373S170-G323 CarbonylContact O-C 3.51Å; S170-G323 VanDerWaalsContact O-CA 3.32Å; S170-G323 WeakPolarHBondContact O-CA 3.35Å; G323-S325 VanDerWaalsContact C-N 3.28Å; G323-S325 PolarHBondContact O-N 2.77Å; G323-T326 PolarHBondContact O-N 3.04Å; G323-T326 VanDerWaalsContact O-N 3.12Å; G323-T326 PolarHBondContact O-OG1 3.48Å; G323-Q373 PolarHBondContact N-O 2.87Å
324G94.4Very high96.8Very high39 Ų3935.7 Ų35.740%0.40217%0.173SC..G310 helixtrans-61.2-31.3-171.400000114.5S170 T326 M327S170-G324 PolarHBondContact O-N 2.87Å; G324-T326 PolarHBondContact O-N 3.39Å; G324-M327 VanDerWaalsContact O-CB 3.25Å; G324-M327 WeakPolarHBondContact O-CB 3.27Å; G324-M327 PolarHBondContact O-N 2.98Å; G324-M327 VanDerWaalsContact O-N 3.12Å
325S96.3Very high96.9Very high7 Ų733.1 Ų33.15%0.04916%0.156CC..G310 helixtrans-74-13.3-179.4-59.50000112.7S170 G171 G197 G323 M327 F328S170-S325 WeakPolarHBondContact O-CB 3.42Å; S170-S325 PolarHBondContact O-N 3.11Å; S170-S325 VanDerWaalsContact OG-CB 3.23Å; S170-S325 WeakPolarHBondContact OG-CB 3.39Å; G171-S325 PolarHBondContact O-OG 2.81Å; G197-S325 VanDerWaalsContact CA-OG 3.23Å; G197-S325 WeakPolarHBondContact CA-OG 3.42Å; G197-S325 PolarHBondContact N-OG 2.85Å; G323-S325 VanDerWaalsContact C-N 3.28Å; G323-S325 PolarHBondContact O-N 2.77Å; S325-M327 VanDerWaalsContact C-N 3.32Å; S325-F328 WeakPolarHBondContact O-CD2 3.44Å; S325-F328 VanDerWaalsContact O-CE2 3.32Å; S325-F328 WeakPolarHBondContact O-CE2 3.18Å
326T96.9Very high96.9Very high3 Ų335.5 Ų35.52%0.01817%0.167CC..G310 helixtrans-84.9-5.7171.570.60000113.4L321 S322 G323 G324 F328 F331 Q373L321-T326 HydrophobicContact CB-CG2 4.22Å; L321-T326 HydrophobicContact CD2-CG2 4.47Å; S322-T326 WeakPolarHBondContact O-CG2 3.46Å; S322-T326 PolarHBondContact O-OG1 3.32Å; G323-T326 PolarHBondContact O-N 3.04Å; G323-T326 VanDerWaalsContact O-N 3.12Å; G323-T326 PolarHBondContact O-OG1 3.48Å; G324-T326 PolarHBondContact O-N 3.39Å; T326-F328 VanDerWaalsContact C-N 3.28Å; T326-F328 PolarHBondContact O-N 3.46Å; T326-F331 HydrophobicContact CG2-CE1 4.12Å; T326-Q373 PolarHBondContact O-NE2 3.32Å; T326-Q373 PolarHBondContact OG1-NE2 3.11Å
327M96.1Very high96.9Very high87 Ų8739 Ų3943%0.42918%0.18SC..G310 helixtrans-80.1-4.4-178.7-65.7-67.5-67.600113.7G324 S325 R329 Q373 R374G324-M327 VanDerWaalsContact O-CB 3.25Å; G324-M327 WeakPolarHBondContact O-CB 3.27Å; G324-M327 PolarHBondContact O-N 2.98Å; G324-M327 VanDerWaalsContact O-N 3.12Å; S325-M327 VanDerWaalsContact C-N 3.32Å; M327-R329 PolarHBondContact O-N 2.79Å; M327-Q373 HydrophobicContact CG-CB 4.39Å; M327-Q373 HydrophobicContact SD-CB 3.29Å; M327-Q373 WeakPolarHBondContact SD-CB 3.1Å; M327-Q373 HydrophobicContact SD-CG 4.4Å; M327-R374 HydrophobicContact CG-CB 4.15Å; M327-R374 HydrophobicContact SD-CB 4.37Å
328F96.8Very high97Very high23 Ų2334.8 Ų34.810%0.10116%0.163CC..SBendtrans-57.1133.2174.8-65.1-59.1000110I200 K228 V234 P279 F282 S325 T326 D330 F331I200-F328 HydrophobicContact CD1-CE2 3.67Å; I200-F328 HydrophobicContact CD1-CZ 4.07Å; I200-F328 HydrophobicContact CG2-CZ 4.35Å; K228-F328 HydrophobicContact CD-CZ 4.27Å; K228-F328 HydrophobicContact CG-CE1 4Å; K228-F328 HydrophobicContact CG-CZ 3.91Å; V234-F328 HydrophobicContact CG2-CB 4.05Å; P279-F328 HydrophobicContact CB-CB 4.36Å; P279-F328 HydrophobicContact CB-CD1 4.41Å; P279-F328 HydrophobicContact CB-CD2 3.7Å; P279-F328 HydrophobicContact CB-CE2 4.07Å; P279-F328 HydrophobicContact CB-CG 3.9Å; P279-F328 HydrophobicContact CG-CB 4.32Å; P279-F328 HydrophobicContact CG-CD1 3.63Å; P279-F328 HydrophobicContact CG-CD2 3.78Å; P279-F328 HydrophobicContact CG-CE1 3.8Å; P279-F328 HydrophobicContact CG-CE2 3.95Å; P279-F328 HydrophobicContact CG-CG 3.63Å; P279-F328 HydrophobicContact CG-CZ 3.95Å; F282-F328 HydrophobicContact CE2-CE2 4.45Å; S325-F328 WeakPolarHBondContact O-CD2 3.44Å; S325-F328 VanDerWaalsContact O-CE2 3.32Å; S325-F328 WeakPolarHBondContact O-CE2 3.18Å; T326-F328 VanDerWaalsContact C-N 3.28Å; T326-F328 PolarHBondContact O-N 3.46Å; F328-D330 PolarHBondContact O-N 3.15Å; F328-F331 HydrophobicContact CB-CB 4.24Å; F328-F331 WeakPolarHBondContact O-CB 3.43Å; F328-F331 PolarHBondContact O-N 3.17Å
329R96.3Very high97.1Very high152 Ų15234.4 Ų34.457%0.57416%0.161SC*.BIsolated β-bridgetrans-54.9136.6178.7-167.8-174.967-153.4-7109.5V234 M327 F331V234-R329 PolarHBondContact N-O 3.08Å; M327-R329 PolarHBondContact O-N 2.79Å; R329-F331 PolarHBondContact O-N 2.78Å
330D96.2Very high97.1Very high48 Ų4838.3 Ų38.326%0.25718%0.178SC..THydrogen-bonded Turntrans67.14.5-179.5-59.4-65.9000116.1F328 R333 R334F328-D330 PolarHBondContact O-N 3.15Å; D330-R333 PolarHBondContact O-N 2.83Å; D330-R333 IonicContact OD1-CZ 3.73Å; D330-R333 IonicContact OD1-NE 3.41Å; D330-R333 IonicContact OD1-NH1 3.95Å; D330-R333 PolarHBondContact OD1-NH1 3.31Å; D330-R334 WeakPolarHBondContact O-CB 3.39Å; D330-R334 PolarHBondContact O-N 2.9Å
331F97.8Very high97.1Very high1 Ų145.6 Ų45.60%0.00421%0.205CC..Hα-helixtrans-56.2-55.8178-176.8-85.2000112.6V234 F282 F283 I296 L321 T326 F328 R329 R333 R334 L335V234-F331 HydrophobicContact CG2-CB 3.93Å; V234-F331 HydrophobicContact CG2-CD2 3.85Å; V234-F331 HydrophobicContact CG2-CG 4.37Å; F282-F331 HydrophobicContact CB-CE2 4.15Å; F282-F331 HydrophobicContact CD2-CD2 4.44Å; F282-F331 AromaticContact CD2-CE2 3.58Å; F282-F331 HydrophobicContact CD2-CE2 3.58Å; F282-F331 HydrophobicContact CD2-CZ 4.41Å; F282-F331 HydrophobicContact CE2-CE2 4.04Å; F282-F331 AromaticContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CE2 3.9Å; F282-F331 HydrophobicContact CG-CZ 4.46Å; F283-F331 HydrophobicContact CE2-CD2 4.17Å; F283-F331 HydrophobicContact CE2-CE2 4.21Å; F283-F331 HydrophobicContact CZ-CD2 4.34Å; F283-F331 HydrophobicContact CZ-CE2 4.3Å; I296-F331 HydrophobicContact CD1-CZ 4.09Å; L321-F331 HydrophobicContact CD1-CD1 3.75Å; L321-F331 HydrophobicContact CD1-CE1 4.17Å; L321-F331 HydrophobicContact CD2-CE1 4.14Å; T326-F331 HydrophobicContact CG2-CE1 4.12Å; F328-F331 HydrophobicContact CB-CB 4.24Å; F328-F331 WeakPolarHBondContact O-CB 3.43Å; F328-F331 PolarHBondContact O-N 3.17Å; R329-F331 PolarHBondContact O-N 2.78Å; F331-R333 VanDerWaalsContact C-N 3.28Å; F331-R333 PolarHBondContact O-N 2.96Å; F331-R334 PolarHBondContact O-N 3.17Å; F331-L335 HydrophobicContact CE1-CD2 4.31Å; F331-L335 WeakPolarHBondContact O-CB 3.08Å; F331-L335 PolarHBondContact O-N 3.15Å
332G97.1Very high97.1Very high6 Ų647.8 Ų47.86%0.06222%0.219CC..Hα-helixtrans-62.3-34.8179.400000113.2Q336G332-Q336 VanDerWaalsContact O-CB 3.32Å; G332-Q336 WeakPolarHBondContact O-CB 3.34Å; G332-Q336 PolarHBondContact O-N 3.43Å
333R97.2Very high97.2Very high182 Ų18247.7 Ų47.769%0.68722%0.218SC*.Hα-helixtrans-66.9-45.9177-178.3-175.5-72162.6-9.2111.7D330 F331 R337D330-R333 PolarHBondContact O-N 2.83Å; D330-R333 IonicContact OD1-CZ 3.73Å; D330-R333 IonicContact OD1-NE 3.41Å; D330-R333 IonicContact OD1-NH1 3.95Å; D330-R333 PolarHBondContact OD1-NH1 3.31Å; F331-R333 VanDerWaalsContact C-N 3.28Å; F331-R333 PolarHBondContact O-N 2.96Å; R333-R337 WeakPolarHBondContact O-CB 3.41Å; R333-R337 PolarHBondContact O-N 3.15Å; R333-R337 VanDerWaalsContact O-N 3.1Å
334R97.7Very high97.3Very high19 Ų1950.2 Ų50.27%0.07223%0.23CC..Hα-helixtrans-60.1-49.9175.917667.8-177.8-88.7-8.6110.1V234 C235 E280 F283 D330 F331 R337 D338V234-R334 HydrophobicContact CG1-CB 3.52Å; V234-R334 HydrophobicContact CG1-CG 3.61Å; C235-R334 PolarHBondContact O-NH1 3.45Å; E280-R334 IonicContact OE1-CZ 2.98Å; E280-R334 IonicContact OE1-NH1 2.67Å; E280-R334 PolarHBondContact OE1-NH1 3.4Å; E280-R334 IonicContact OE1-NH2 3.85Å; E280-R334 PolarHBondContact OE1-NH2 3.11Å; E280-R334 IonicContact OE2-NH1 2.82Å; E280-R334 PolarHBondContact OE2-NH1 3.2Å; E280-R334 VanDerWaalsContact OE2-NH1 3.08Å; F283-R334 HydrophobicContact CD1-CG 3.82Å; F283-R334 HydrophobicContact CD2-CG 4.17Å; F283-R334 HydrophobicContact CE1-CB 4.22Å; F283-R334 HydrophobicContact CE1-CG 3.43Å; F283-R334 VanDerWaalsContact CE1-CG 3.43Å; F283-R334 HydrophobicContact CE2-CB 4.41Å; F283-R334 HydrophobicContact CE2-CG 3.81Å; F283-R334 HydrophobicContact CG-CG 4.18Å; F283-R334 HydrophobicContact CZ-CB 3.89Å; F283-R334 HydrophobicContact CZ-CG 3.43Å; F283-R334 VanDerWaalsContact CZ-CG 3.43Å; D330-R334 WeakPolarHBondContact O-CB 3.39Å; D330-R334 PolarHBondContact O-N 2.9Å; F331-R334 PolarHBondContact O-N 3.17Å; R334-R337 PolarHBondContact O-N 3.15Å; R334-D338 WeakPolarHBondContact CD-OD2 3.41Å; R334-D338 IonicContact CZ-OD2 2.89Å; R334-D338 IonicContact NE-OD1 3.07Å; R334-D338 IonicContact NE-OD2 3.14Å; R334-D338 PolarHBondContact NE-OD2 3Å; R334-D338 IonicContact NH2-OD2 3.47Å; R334-D338 PolarHBondContact O-N 2.94Å
335L98.4Very high97.4Very high0 Ų051.2 Ų51.20%023%0.234CC..Hα-helixtrans-59-49.4179.2178.362.7000112.4I168 F283 I296 L321 F331 R337 D338 L339 V367I168-L335 HydrophobicContact CD1-CD2 3.36Å; F283-L335 HydrophobicContact CE1-CB 4.33Å; F283-L335 HydrophobicContact CZ-CB 4.41Å; I296-L335 HydrophobicContact CG2-CD1 4.13Å; L321-L335 HydrophobicContact CD2-CD2 3.91Å; F331-L335 HydrophobicContact CE1-CD2 4.31Å; F331-L335 WeakPolarHBondContact O-CB 3.08Å; F331-L335 PolarHBondContact O-N 3.15Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 2.8Å; L335-D338 PolarHBondContact O-N 3.41Å; L335-L339 HydrophobicContact CD1-CD1 3.73Å; L335-L339 HydrophobicContact CD1-CG 4.09Å; L335-L339 HydrophobicContact CG-CD1 3.82Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 PolarHBondContact O-N 3.43Å; L335-V367 HydrophobicContact CD2-CG1 4.21Å; L335-V367 HydrophobicContact CD2-CG2 4.2Å; L335-V367 HydrophobicContact CG-CG2 4.14Å
336Q98.4Very high97.4Very high50 Ų5053.6 Ų53.623%0.23424%0.242CC..Hα-helixtrans-59.8-43.4179.4-175.9167.4-41.400111.8G332 K340 V365 V367G332-Q336 VanDerWaalsContact O-CB 3.32Å; G332-Q336 WeakPolarHBondContact O-CB 3.34Å; G332-Q336 PolarHBondContact O-N 3.43Å; Q336-K340 WeakPolarHBondContact O-CB 3.21Å; Q336-K340 PolarHBondContact O-N 2.96Å; Q336-V365 HydrophobicContact CG-CG1 4.5Å; Q336-V365 PolarHBondContact NE2-O 3.02Å; Q336-V367 HydrophobicContact CB-CB 3.92Å; Q336-V367 HydrophobicContact CB-CG2 3.58Å; Q336-V367 HydrophobicContact CG-CG2 4.21Å
337R98Very high97.3Very high73 Ų7354.7 Ų54.728%0.27525%0.248SC..Hα-helixtrans-62-48.1179.1-178.5-163.670.4-174.76.8111.2P236 R333 R334 L335 K340 R341P236-R337 VanDerWaalsContact O-CZ 3.29Å; P236-R337 PolarHBondContact O-NH1 3.43Å; P236-R337 PolarHBondContact O-NH2 3.47Å; R333-R337 WeakPolarHBondContact O-CB 3.41Å; R333-R337 PolarHBondContact O-N 3.15Å; R333-R337 VanDerWaalsContact O-N 3.1Å; R334-R337 PolarHBondContact O-N 3.15Å; L335-R337 VanDerWaalsContact C-N 3.32Å; L335-R337 PolarHBondContact O-N 2.8Å; R337-K340 PolarHBondContact O-N 3.07Å; R337-R341 WeakPolarHBondContact O-CG 3.45Å; R337-R341 PolarHBondContact O-N 3.36Å
338D98.1Very high97.3Very high22 Ų2256.5 Ų56.512%0.11825%0.253CS..Hα-helixtrans-70.2-42.5-174.8-66.2-5000110.4R334 L335 K340 R341 T342R334-D338 WeakPolarHBondContact CD-OD2 3.41Å; R334-D338 IonicContact CZ-OD2 2.89Å; R334-D338 IonicContact NE-OD1 3.07Å; R334-D338 IonicContact NE-OD2 3.14Å; R334-D338 PolarHBondContact NE-OD2 3Å; R334-D338 IonicContact NH2-OD2 3.47Å; R334-D338 PolarHBondContact O-N 2.94Å; L335-D338 PolarHBondContact O-N 3.41Å; D338-K340 PolarHBondContact O-N 3.36Å; D338-R341 WeakPolarHBondContact O-CB 3.25Å; D338-R341 PolarHBondContact O-N 2.78Å; D338-T342 PolarHBondContact O-N 2.68Å; D338-T342 VanDerWaalsContact O-N 3.14Å; D338-T342 PolarHBondContact O-OG1 3.21Å
339L98.1Very high97.2Very high0 Ų059.8 Ų59.80%027%0.271CS..Hα-helixtrans-58.5-48170.6-83.4169000112.9S297 V300 D301 I319 L335 R341 T342 V343 V365 V367S297-L339 WeakPolarHBondContact O-CD2 3.47Å; V300-L339 HydrophobicContact CB-CD1 4.24Å; V300-L339 HydrophobicContact CB-CD2 4.03Å; V300-L339 HydrophobicContact CG1-CD1 3.75Å; V300-L339 HydrophobicContact CG1-CD2 3.94Å; V300-L339 HydrophobicContact CG1-CG 4.48Å; D301-L339 HydrophobicContact CB-CD2 3.94Å; I319-L339 HydrophobicContact CD1-CD1 3.62Å; L335-L339 HydrophobicContact CD1-CD1 3.73Å; L335-L339 HydrophobicContact CD1-CG 4.09Å; L335-L339 HydrophobicContact CG-CD1 3.82Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 PolarHBondContact O-N 3.43Å; L339-R341 VanDerWaalsContact C-N 3.26Å; L339-R341 PolarHBondContact O-N 2.87Å; L339-T342 PolarHBondContact O-N 3.18Å; L339-V343 VanDerWaalsContact O-CG2 3.29Å; L339-V343 WeakPolarHBondContact O-CG2 3.5Å; L339-V343 PolarHBondContact O-N 3.01Å; L339-V365 HydrophobicContact CB-CG1 3.98Å; L339-V367 HydrophobicContact CD1-CG2 4.43Å
340K98.1Very high97.1Very high83 Ų8355.2 Ų55.236%0.36126%0.262SS..Hα-helixtrans-59.2-39.9179.4177.9163.6177.247.10111.5Q336 R337 D338 V343 D344 V365Q336-K340 WeakPolarHBondContact O-CB 3.21Å; Q336-K340 PolarHBondContact O-N 2.96Å; R337-K340 PolarHBondContact O-N 3.07Å; D338-K340 PolarHBondContact O-N 3.36Å; K340-V343 PolarHBondContact O-N 2.93Å; K340-D344 WeakPolarHBondContact CE-OD2 3.44Å; K340-D344 VanDerWaalsContact CG-OD2 3.32Å; K340-D344 WeakPolarHBondContact CG-OD2 3.47Å; K340-D344 VanDerWaalsContact NZ-CG 3.3Å; K340-D344 IonicContact NZ-OD1 3.76Å; K340-D344 PolarHBondContact NZ-OD1 2.69Å; K340-D344 IonicContact NZ-OD2 2.66Å; K340-D344 PolarHBondContact NZ-OD2 3.5Å; K340-D344 VanDerWaalsContact O-CB 3.26Å; K340-D344 WeakPolarHBondContact O-CB 3.45Å; K340-D344 PolarHBondContact O-N 2.89Å; K340-V365 HydrophobicContact CB-CB 4.29Å; K340-V365 HydrophobicContact CB-CG1 4.48Å
341R97.8Very high97Very high152 Ų15256.1 Ų56.157%0.57427%0.265SS*.Hα-helixtrans-60.9-47.6175.3-75.6171.1172.8-178.1-4.1111.8R337 D338 L339 D344 A345R337-R341 WeakPolarHBondContact O-CG 3.45Å; R337-R341 PolarHBondContact O-N 3.36Å; D338-R341 WeakPolarHBondContact O-CB 3.25Å; D338-R341 PolarHBondContact O-N 2.78Å; L339-R341 VanDerWaalsContact C-N 3.26Å; L339-R341 PolarHBondContact O-N 2.87Å; R341-D344 PolarHBondContact O-N 3.14Å; R341-A345 VanDerWaalsContact O-CB 3.24Å; R341-A345 WeakPolarHBondContact O-CB 3.44Å; R341-A345 PolarHBondContact O-N 3.28Å
342T97.8Very high96.9Very high47 Ų4761.2 Ų61.229%0.28829%0.289SS..Hα-helixtrans-60.8-46.3177.7-58.60000111.6D301 D338 L339 A345 R346D301-T342 HydrophobicContact CB-CG2 4.38Å; D338-T342 PolarHBondContact O-N 2.68Å; D338-T342 VanDerWaalsContact O-N 3.14Å; D338-T342 PolarHBondContact O-OG1 3.21Å; L339-T342 PolarHBondContact O-N 3.18Å; T342-A345 PolarHBondContact O-N 2.89Å; T342-R346 PolarHBondContact O-N 3.44Å
343V98Very high96.8Very high0 Ų067.6 Ų67.60%032%0.321CS..Hα-helixtrans-62.8-50.3178.8172.80000111.3Y316 L339 K340 A345 R346 L347 I363 V365Y316-V343 HydrophobicContact CD1-CG2 3.86Å; Y316-V343 HydrophobicContact CE1-CG2 3.46Å; Y316-V343 VanDerWaalsContact CE1-CG2 3.46Å; L339-V343 VanDerWaalsContact O-CG2 3.29Å; L339-V343 WeakPolarHBondContact O-CG2 3.5Å; L339-V343 PolarHBondContact O-N 3.01Å; K340-V343 PolarHBondContact O-N 2.93Å; V343-A345 VanDerWaalsContact C-N 3.32Å; V343-A345 PolarHBondContact O-N 2.87Å; V343-R346 PolarHBondContact O-N 3.41Å; V343-L347 HydrophobicContact CG1-CD1 4.48Å; V343-L347 WeakPolarHBondContact O-CG 3.06Å; V343-L347 PolarHBondContact O-N 3.28Å; V343-I363 HydrophobicContact CG1-CB 3.71Å; V343-I363 HydrophobicContact CG1-CD1 3.93Å; V343-I363 HydrophobicContact CG1-CG1 4.32Å; V343-I363 HydrophobicContact CG1-CG2 4.06Å; V343-V365 HydrophobicContact CB-CG2 4.12Å; V343-V365 HydrophobicContact CG1-CG2 4.09Å; V343-V365 HydrophobicContact CG2-CG2 3.96Å
344D97.6Very high96.6Very high61 Ų6159.5 Ų59.533%0.32629%0.292SS..Hα-helixtrans-62.3-40.1-179.9-70.1-18000111.1K340 R341 L347 K348K340-D344 WeakPolarHBondContact CE-OD2 3.44Å; K340-D344 VanDerWaalsContact CG-OD2 3.32Å; K340-D344 WeakPolarHBondContact CG-OD2 3.47Å; K340-D344 VanDerWaalsContact NZ-CG 3.3Å; K340-D344 IonicContact NZ-OD1 3.76Å; K340-D344 PolarHBondContact NZ-OD1 2.69Å; K340-D344 IonicContact NZ-OD2 2.66Å; K340-D344 PolarHBondContact NZ-OD2 3.5Å; K340-D344 VanDerWaalsContact O-CB 3.26Å; K340-D344 WeakPolarHBondContact O-CB 3.45Å; K340-D344 PolarHBondContact O-N 2.89Å; R341-D344 PolarHBondContact O-N 3.14Å; D344-L347 PolarHBondContact O-N 3.13Å; D344-K348 WeakPolarHBondContact O-CB 3.27Å; D344-K348 PolarHBondContact O-N 3.05Å
345A97.1Very high96.4Very high59 Ų5961.6 Ų61.649%0.48832%0.32SS..Hα-helixtrans-62.3-43.9175.500000112.1R341 T342 V343 K348 L349R341-A345 VanDerWaalsContact O-CB 3.24Å; R341-A345 WeakPolarHBondContact O-CB 3.44Å; R341-A345 PolarHBondContact O-N 3.28Å; T342-A345 PolarHBondContact O-N 2.89Å; V343-A345 VanDerWaalsContact C-N 3.32Å; V343-A345 PolarHBondContact O-N 2.87Å; A345-K348 PolarHBondContact O-N 3.5Å; A345-L349 WeakPolarHBondContact O-CB 3.27Å; A345-L349 PolarHBondContact O-N 3.07Å
346R96.4Very high96Very high58 Ų5863.6 Ų63.622%0.21934%0.34CS..Hα-helixtrans-63.1-41.1175.7178.2173.655.5-124-7.1112.4D301 Q305 Y316 T342 V343 S350D301-R346 IonicContact OD1-CZ 3.45Å; D301-R346 IonicContact OD1-NH1 3.36Å; D301-R346 PolarHBondContact OD1-NH1 3.25Å; D301-R346 IonicContact OD1-NH2 2.68Å; D301-R346 PolarHBondContact OD1-NH2 2.95Å; D301-R346 IonicContact OD2-CZ 3.86Å; D301-R346 IonicContact OD2-NH1 3.75Å; D301-R346 PolarHBondContact OD2-NH1 2.87Å; D301-R346 IonicContact OD2-NH2 2.72Å; Q305-R346 VanDerWaalsContact NE2-CZ 3.29Å; Q305-R346 VanDerWaalsContact NE2-NH2 3.17Å; Y316-R346 PolarHBondContact OH-NH2 3.39Å; T342-R346 PolarHBondContact O-N 3.44Å; V343-R346 PolarHBondContact O-N 3.41Å; R346-S350 PolarHBondContact O-N 3.45Å; R346-S350 PolarHBondContact O-OG 3.28Å
347L95.5Very high95.6Very high26 Ų2671.7 Ų71.714%0.13637%0.369CS..Hα-helixtrans-64.8-43.6176.1-65.6-173.8000111.4V343 D344 L349 S350 E351 P360 I363V343-L347 HydrophobicContact CG1-CD1 4.48Å; V343-L347 WeakPolarHBondContact O-CG 3.06Å; V343-L347 PolarHBondContact O-N 3.28Å; D344-L347 PolarHBondContact O-N 3.13Å; L347-L349 PolarHBondContact O-N 2.75Å; L347-S350 WeakPolarHBondContact O-CB 3.08Å; L347-S350 PolarHBondContact O-N 3.06Å; L347-E351 PolarHBondContact O-N 3.42Å; L347-P360 HydrophobicContact CB-CB 4.45Å; L347-P360 HydrophobicContact CB-CG 4.03Å; L347-P360 HydrophobicContact CD2-CB 3.95Å; L347-P360 HydrophobicContact CD2-CG 4.42Å; L347-P360 WeakPolarHBondContact O-CG 3.47Å; L347-I363 HydrophobicContact CD1-CB 4.41Å; L347-I363 HydrophobicContact CD1-CD1 4.34Å; L347-I363 HydrophobicContact CD1-CG1 4.09Å; L347-I363 HydrophobicContact CD2-CD1 4.04Å
348K95.2Very high95.2Very high125 Ų12573.8 Ų73.854%0.54339%0.385SS..Hα-helixtrans-60-46.7176.6-168.7-170.8-177-120.60111.6D344 A345 S350 E351 E352D344-K348 WeakPolarHBondContact O-CB 3.27Å; D344-K348 PolarHBondContact O-N 3.05Å; A345-K348 PolarHBondContact O-N 3.5Å; K348-S350 VanDerWaalsContact C-N 3.27Å; K348-S350 PolarHBondContact O-N 2.89Å; K348-E351 PolarHBondContact O-N 3.44Å; K348-E352 WeakPolarHBondContact CE-OE1 3.3Å; K348-E352 IonicContact NZ-OE1 2.77Å; K348-E352 PolarHBondContact NZ-OE1 2.9Å; K348-E352 WeakPolarHBondContact O-CG 3.28Å; K348-E352 PolarHBondContact O-N 3.29Å
349L95.2Very high94.8Very high92 Ų9280.8 Ų80.848%0.48241%0.414SS..Hα-helixtrans-59.1-39.6176.4-179.462.5000111.7A345 L347 E352 L353A345-L349 WeakPolarHBondContact O-CB 3.27Å; A345-L349 PolarHBondContact O-N 3.07Å; L347-L349 PolarHBondContact O-N 2.75Å; L349-E352 PolarHBondContact O-N 2.93Å; L349-L353 HydrophobicContact CD1-CD1 4.13Å; L349-L353 HydrophobicContact CD1-CG 4.12Å; L349-L353 HydrophobicContact CG-CD1 3.93Å; L349-L353 HydrophobicContact CG-CG 4.35Å; L349-L353 WeakPolarHBondContact O-CB 3.03Å; L349-L353 VanDerWaalsContact O-CG 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.21Å; L349-L353 PolarHBondContact O-N 3.26Å
350S93.5Very high94.4Very high55 Ų5582.8 Ų82.839%0.38543%0.427SS..Hα-helixtrans-65.1-39177.6-56.30000112.4R346 L347 K348 S354R346-S350 PolarHBondContact O-N 3.45Å; R346-S350 PolarHBondContact O-OG 3.28Å; L347-S350 WeakPolarHBondContact O-CB 3.08Å; L347-S350 PolarHBondContact O-N 3.06Å; K348-S350 VanDerWaalsContact C-N 3.27Å; K348-S350 PolarHBondContact O-N 2.89Å; S350-S354 WeakPolarHBondContact O-CB 3.32Å; S350-S354 PolarHBondContact O-N 2.94Å
351E94.9Very high94.1Very high68 Ų6886.4 Ų86.432%0.31844%0.443SS..Hα-helixtrans-66-46.8174.5-178.1169.6-167.200111.2L347 K348 S354 G355 G356 K359 P360L347-E351 PolarHBondContact O-N 3.42Å; K348-E351 PolarHBondContact O-N 3.44Å; E351-S354 PolarHBondContact O-N 3.36Å; E351-S354 PolarHBondContact O-OG 3.47Å; E351-G355 PolarHBondContact O-N 3.27Å; E351-G356 PolarHBondContact O-N 3.33Å; E351-K359 WeakPolarHBondContact OE1-CG 3.41Å; E351-P360 HydrophobicContact CB-CG 4.45Å
352E95.3Very high94Very high107 Ų10784.3 Ų84.350%0.545%0.449SS..Hα-helixtrans-58.4-48.6177.4-72.2173.6-176.300111.4K348 L349 S354 G355K348-E352 WeakPolarHBondContact CE-OE1 3.3Å; K348-E352 IonicContact NZ-OE1 2.77Å; K348-E352 PolarHBondContact NZ-OE1 2.9Å; K348-E352 WeakPolarHBondContact O-CG 3.28Å; K348-E352 PolarHBondContact O-N 3.29Å; L349-E352 PolarHBondContact O-N 2.93Å; E352-S354 PolarHBondContact O-N 2.76Å; E352-G355 PolarHBondContact O-N 3.2Å
353L94.9Very high93.9Very high140 Ų14082.9 Ų82.973%0.73344%0.439SS*.Hα-helixtrans-64.7-26.4178.2-71.2174000113.3L349 G355L349-L353 HydrophobicContact CD1-CD1 4.13Å; L349-L353 HydrophobicContact CD1-CG 4.12Å; L349-L353 HydrophobicContact CG-CD1 3.93Å; L349-L353 HydrophobicContact CG-CG 4.35Å; L349-L353 WeakPolarHBondContact O-CB 3.03Å; L349-L353 VanDerWaalsContact O-CG 3.24Å; L349-L353 WeakPolarHBondContact O-CG 3.21Å; L349-L353 PolarHBondContact O-N 3.26Å; L353-G355 VanDerWaalsContact C-N 3.27Å
354S93.7Very high93.8Very high13 Ų1386.6 Ų86.69%0.09146%0.459CS..THydrogen-bonded Turntrans-80.2-7.7174.980.30000113.6S350 E351 E352 G356 R357 L358S350-S354 WeakPolarHBondContact O-CB 3.32Å; S350-S354 PolarHBondContact O-N 2.94Å; E351-S354 PolarHBondContact O-N 3.36Å; E351-S354 PolarHBondContact O-OG 3.47Å; E352-S354 PolarHBondContact O-N 2.76Å; S354-G356 VanDerWaalsContact C-N 3.28Å; S354-G356 PolarHBondContact OG-N 3.2Å; S354-R357 WeakPolarHBondContact O-CB 3.48Å; S354-R357 WeakPolarHBondContact O-CG 3.28Å; S354-R357 PolarHBondContact O-N 2.97Å; S354-R357 PolarHBondContact O-NE 3.12Å; S354-R357 PolarHBondContact OG-N 3.01Å; S354-L358 PolarHBondContact OG-N 3.16Å; S354-L358 PolarHBondContact OG-O 3.45Å
355G93Very high93.8Very high63 Ų6383.9 Ų83.965%0.64945%0.445SS*.THydrogen-bonded Turntrans6433.6-17000000112.4E351 E352 L353 R357E351-G355 PolarHBondContact O-N 3.27Å; E352-G355 PolarHBondContact O-N 3.2Å; L353-G355 VanDerWaalsContact C-N 3.27Å; G355-R357 PolarHBondContact O-N 3.18Å
356G89.2Confident93.8Very high41 Ų4184.1 Ų84.142%0.42344%0.436SS..THydrogen-bonded Turntrans75.33.4-17700000115.4E351 S354 L358E351-G356 PolarHBondContact O-N 3.33Å; S354-G356 VanDerWaalsContact C-N 3.28Å; S354-G356 PolarHBondContact OG-N 3.2Å; G356-L358 VanDerWaalsContact C-N 3.33Å
357R90.3Very high93.8Very high220 Ų22081.5 Ų81.583%0.8343%0.426SS*.SBendtrans-70-30.3177.2-71.8-179.8-90.3-173.8-11.3112.7S354 G355S354-R357 WeakPolarHBondContact O-CB 3.48Å; S354-R357 WeakPolarHBondContact O-CG 3.28Å; S354-R357 PolarHBondContact O-N 2.97Å; S354-R357 PolarHBondContact O-NE 3.12Å; S354-R357 PolarHBondContact OG-N 3.01Å; G355-R357 PolarHBondContact O-N 3.18Å
358L88.9Confident93.8Very high118 Ų11880.5 Ų80.562%0.61842%0.421SS*.  trans-108.3113.7175.2-62.4171.9000108.5S354 G356 P360S354-L358 PolarHBondContact OG-N 3.16Å; S354-L358 PolarHBondContact OG-O 3.45Å; G356-L358 VanDerWaalsContact C-N 3.33Å; L358-P360 WeakPolarHBondContact O-CD 3.27Å
359K89.8Confident93.7Very high169 Ų16977 Ų7774%0.73541%0.41SS*.  trans-9695.2166.6-91.3-176.5174.21800109.4E351 K361E351-K359 WeakPolarHBondContact OE1-CG 3.41Å; K359-K361 PolarHBondContact O-N 3.48Å
360P89.9Confident93.4Very high41 Ų4173.3 Ų73.327%0.26639%0.39SS..PPolyproline II helixtrans-63.6133-179.824.7-31.3000110.1L347 E351 L358L347-P360 HydrophobicContact CB-CB 4.45Å; L347-P360 HydrophobicContact CB-CG 4.03Å; L347-P360 HydrophobicContact CD2-CB 3.95Å; L347-P360 HydrophobicContact CD2-CG 4.42Å; L347-P360 WeakPolarHBondContact O-CG 3.47Å; E351-P360 HydrophobicContact CB-CG 4.45Å; L358-P360 WeakPolarHBondContact O-CD 3.27Å
361K92.9Very high93.1Very high160 Ų16077.3 Ų77.370%0.69640%0.403SS*.PPolyproline II helixtrans-61133.3170.5-69-176179.5-179.30108.9R313 K359 I363R313-K361 PolarHBondContact NH1-O 3.46Å; R313-K361 PolarHBondContact NH2-O 2.97Å; K359-K361 PolarHBondContact O-N 3.48Å; K361-I363 PolarHBondContact O-N 3.11Å
362P94.1Very high92.7Very high108 Ų10874.3 Ų74.370%0.70139%0.389SS*.PPolyproline II helixtrans-49.4142.9173.2-27.434.9000111.1R313R313-P362 PolarHBondContact NH1-O 3.06Å
363I96.7Very high92.6Very high16 Ų1669.8 Ų69.88%0.08237%0.367CS..PPolyproline II helixtrans-95.6125.9171.2-66.5171.7000106.4R313 Y316 V343 L347 K361 V365R313-I363 HydrophobicContact CG-CG1 4.29Å; Y316-I363 HydrophobicContact CD2-CD1 4.45Å; Y316-I363 HydrophobicContact CD2-CG2 3.69Å; Y316-I363 HydrophobicContact CG-CG2 3.76Å; V343-I363 HydrophobicContact CG1-CB 3.71Å; V343-I363 HydrophobicContact CG1-CD1 3.93Å; V343-I363 HydrophobicContact CG1-CG1 4.32Å; V343-I363 HydrophobicContact CG1-CG2 4.06Å; L347-I363 HydrophobicContact CD1-CB 4.41Å; L347-I363 HydrophobicContact CD1-CD1 4.34Å; L347-I363 HydrophobicContact CD1-CG1 4.09Å; L347-I363 HydrophobicContact CD2-CD1 4.04Å; K361-I363 PolarHBondContact O-N 3.11Å; I363-V365 HydrophobicContact CG2-CG2 4.17Å; I363-V365 PolarHBondContact O-N 3.47Å
364D95.7Very high92.6Very high79 Ų7969.2 Ų69.242%0.42236%0.356SS..PPolyproline II helixtrans-77.4117.2173.1-170.715.7000108.3Y316 K317 Q366Y316-D364 CarbonylContact C-O 3.59Å; K317-D364 VanDerWaalsContact CA-O 3.28Å; K317-D364 WeakPolarHBondContact CA-O 3.41Å; K317-D364 HydrophobicContact CG-CB 4.38Å; K317-D364 PolarHBondContact N-O 3.01Å; D364-Q366 PolarHBondContact OD1-NE2 3.21Å
365V97.9Very high92.6Very high3 Ų370.2 Ų70.22%0.01836%0.358CS..  trans-109.3111-179.2-179.50000107.4Y316 I319 Q336 L339 K340 V343 I363Y316-V365 HydrophobicContact CD1-CG2 4.24Å; Y316-V365 HydrophobicContact CG-CG2 4.48Å; Y316-V365 WeakPolarHBondContact O-CA 3.38Å; I319-V365 HydrophobicContact CD1-CG1 4.38Å; Q336-V365 HydrophobicContact CG-CG1 4.5Å; Q336-V365 PolarHBondContact NE2-O 3.02Å; L339-V365 HydrophobicContact CB-CG1 3.98Å; K340-V365 HydrophobicContact CB-CB 4.29Å; K340-V365 HydrophobicContact CB-CG1 4.48Å; V343-V365 HydrophobicContact CB-CG2 4.12Å; V343-V365 HydrophobicContact CG1-CG2 4.09Å; V343-V365 HydrophobicContact CG2-CG2 3.96Å; I363-V365 HydrophobicContact CG2-CG2 4.17Å; I363-V365 PolarHBondContact O-N 3.47Å
366Q96.9Very high92.7Very high65 Ų6567.3 Ų67.330%0.30433%0.327SS..  trans-127.8122.7-179.1-57.8-68.4-22.300109.8Y316 K317 I319 D364 I368Y316-Q366 PolarHBondContact O-N 3.35Å; K317-Q366 WeakPolarHBondContact O-CB 3.43Å; I319-Q366 WeakPolarHBondContact CB-O 3.47Å; I319-Q366 PolarHBondContact N-O 2.88Å; D364-Q366 PolarHBondContact OD1-NE2 3.21Å; Q366-I368 HydrophobicContact CB-CD1 4.12Å
367V97.4Very high93.1Very high2 Ų265.6 Ų65.61%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-98.7113.2169.4179.20000107.6I319 L321 L335 Q336 L339I319-V367 HydrophobicContact CB-CG2 4.17Å; I319-V367 HydrophobicContact CD1-CG2 4.41Å; I319-V367 HydrophobicContact CG2-CG2 4.24Å; I319-V367 CarbonylContact O-C 3.47Å; I319-V367 VanDerWaalsContact O-CA 3.32Å; I319-V367 WeakPolarHBondContact O-CA 3.45Å; L321-V367 HydrophobicContact CD1-CG1 3.79Å; L321-V367 HydrophobicContact CD2-CG1 3.84Å; L321-V367 HydrophobicContact CG-CG1 3.64Å; L335-V367 HydrophobicContact CD2-CG1 4.21Å; L335-V367 HydrophobicContact CD2-CG2 4.2Å; L335-V367 HydrophobicContact CG-CG2 4.14Å; Q336-V367 HydrophobicContact CB-CB 3.92Å; Q336-V367 HydrophobicContact CB-CG2 3.58Å; Q336-V367 HydrophobicContact CG-CG2 4.21Å; L339-V367 HydrophobicContact CD1-CG2 4.43Å
368I95.4Very high93.4Very high5 Ų555.1 Ų55.13%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-84.4119.2-176.5-51.1-56.3000109.2Q157 V158 I319 V320 L321 Q366Q157-I368 HydrophobicContact CB-CD1 3.83Å; Q157-I368 HydrophobicContact CB-CG2 4.42Å; V158-I368 HydrophobicContact CG2-CD1 4.29Å; V158-I368 HydrophobicContact CG2-CG1 4.22Å; V158-I368 HydrophobicContact CG2-CG2 3.75Å; I319-I368 PolarHBondContact O-N 3.32Å; V320-I368 HydrophobicContact CG2-CB 4.18Å; V320-I368 HydrophobicContact CG2-CG1 4.38Å; L321-I368 PolarHBondContact N-O 2.72Å; Q366-I368 HydrophobicContact CB-CD1 4.12Å
369T92.6Very high93.8Very high53 Ų5350.2 Ų50.233%0.32524%0.243SC..  trans-110.9141.9174.160.20000109.7S155 Q157 L321S155-T369 PolarHBondContact OG-O 3.5Å; Q157-T369 PolarHBondContact OE1-O 3.39Å; L321-T369 HydrophobicContact CD1-CG2 4.04Å
370H88.7Confident94.1Very high13 Ų1342.1 Ų42.16%0.0621%0.208CC..  trans-148.6154.3174.869.6103000111.3M372 Q373H370-M372 PolarHBondContact ND1-N 3.44Å; H370-M372 PolarHBondContact O-N 3.03Å; H370-M372 VanDerWaalsContact O-N 3.08Å; H370-Q373 PolarHBondContact CE1-N 2.98Å; H370-Q373 VanDerWaalsContact CE1-N 3.34Å; H370-Q373 WeakPolarHBondContact O-CB 3.45Å; H370-Q373 VanDerWaalsContact O-CG 3.26Å; H370-Q373 WeakPolarHBondContact O-CG 3.44Å; H370-Q373 PolarHBondContact O-N 3.09Å; H370-Q373 VanDerWaalsContact O-N 3.08Å; H370-Q373 PolarHBondContact O-OE1 3.2Å
371H86.6Confident94.3Very high140 Ų14040.2 Ų40.265%0.64820%0.195SC*.THydrogen-bonded Turntrans-61-22.1-174.262.9-75.3000114.2
372M87.9Confident94.5Very high5 Ų532.7 Ų32.73%0.02516%0.163CC..THydrogen-bonded Turntrans-94.27.8179.7-59.7-166.9-78.700113.9H370 R374 Y375 A376 F379H370-M372 PolarHBondContact ND1-N 3.44Å; H370-M372 PolarHBondContact O-N 3.03Å; H370-M372 VanDerWaalsContact O-N 3.08Å; M372-R374 PolarHBondContact O-N 2.98Å; M372-Y375 HydrophobicContact CB-CD2 3.98Å; M372-Y375 HydrophobicContact CB-CE2 3.53Å; M372-Y375 HydrophobicContact CG-CD2 4.39Å; M372-Y375 HydrophobicContact CG-CE2 3.47Å; M372-Y375 VanDerWaalsContact CG-CE2 3.47Å; M372-Y375 CarbonylContact O-C 3.33Å; M372-Y375 VanDerWaalsContact O-C 3.23Å; M372-Y375 PolarHBondContact O-N 3.45Å; M372-Y375 HydrophobicContact SD-CE2 3.58Å; M372-Y375 VanDerWaalsContact SD-CE2 3.58Å; M372-A376 WeakPolarHBondContact O-CA 3.17Å; M372-A376 PolarHBondContact O-N 2.99Å; M372-F379 HydrophobicContact CE-CD1 3.23Å; M372-F379 HydrophobicContact CE-CD2 3.81Å; M372-F379 HydrophobicContact CE-CE1 3.09Å; M372-F379 HydrophobicContact CE-CE2 3.71Å; M372-F379 HydrophobicContact CE-CG 3.59Å; M372-F379 HydrophobicContact CE-CZ 3.36Å; M372-F379 HydrophobicContact SD-CB 4.26Å; M372-F379 HydrophobicContact SD-CD1 3.95Å; M372-F379 HydrophobicContact SD-CD2 3.73Å; M372-F379 HydrophobicContact SD-CE1 4.25Å; M372-F379 HydrophobicContact SD-CE2 4.07Å; M372-F379 HydrophobicContact SD-CG 3.67Å; M372-F379 HydrophobicContact SD-CZ 4.32Å
373Q92.5Very high94.5Very high11 Ų1130.2 Ų30.25%0.05114%0.142CC..G310 helixtrans-45.3-39.5179-94.2174.1-11700113.5L321 G323 T326 M327 H370 Y375 A376L321-Q373 HydrophobicContact CB-CG 4.16Å; L321-Q373 WeakPolarHBondContact O-CG 3.17Å; G323-Q373 PolarHBondContact N-O 2.87Å; T326-Q373 PolarHBondContact O-NE2 3.32Å; T326-Q373 PolarHBondContact OG1-NE2 3.11Å; M327-Q373 HydrophobicContact CG-CB 4.39Å; M327-Q373 HydrophobicContact SD-CB 3.29Å; M327-Q373 WeakPolarHBondContact SD-CB 3.1Å; M327-Q373 HydrophobicContact SD-CG 4.4Å; H370-Q373 PolarHBondContact CE1-N 2.98Å; H370-Q373 VanDerWaalsContact CE1-N 3.34Å; H370-Q373 WeakPolarHBondContact O-CB 3.45Å; H370-Q373 VanDerWaalsContact O-CG 3.26Å; H370-Q373 WeakPolarHBondContact O-CG 3.44Å; H370-Q373 PolarHBondContact O-N 3.09Å; H370-Q373 VanDerWaalsContact O-N 3.08Å; H370-Q373 PolarHBondContact O-OE1 3.2Å; Q373-Y375 PolarHBondContact O-N 3.24Å; Q373-Y375 VanDerWaalsContact O-N 3.14Å; Q373-A376 PolarHBondContact O-N 3.45Å
374R93.8Very high94.3Very high128 Ų12829.6 Ų29.648%0.48314%0.139SC..G310 helixtrans-55.8-29.7177.2-177.7178.8178.4-170.90.2113.6K18 M327 M372K18-R374 VanDerWaalsContact CE-O 3.22Å; K18-R374 WeakPolarHBondContact CE-O 3.31Å; M327-R374 HydrophobicContact CG-CB 4.15Å; M327-R374 HydrophobicContact SD-CB 4.37Å; M372-R374 PolarHBondContact O-N 2.98Å
375Y94.4Very high94.3Very high35 Ų3525.9 Ų25.914%0.13712%0.119CC..G310 helixtrans-138.830-176.553.3-103.3000111.9T25 E26 P27 M372 Q373 V377 W378 F379T25-Y375 WeakPolarHBondContact O-CE2 3.45Å; E26-Y375 HydrophobicContact CB-CE2 4.11Å; P27-Y375 HydrophobicContact CG-CD1 4.47Å; P27-Y375 HydrophobicContact CG-CG 4.22Å; M372-Y375 HydrophobicContact CB-CD2 3.98Å; M372-Y375 HydrophobicContact CB-CE2 3.53Å; M372-Y375 HydrophobicContact CG-CD2 4.39Å; M372-Y375 HydrophobicContact CG-CE2 3.47Å; M372-Y375 VanDerWaalsContact CG-CE2 3.47Å; M372-Y375 CarbonylContact O-C 3.33Å; M372-Y375 VanDerWaalsContact O-C 3.23Å; M372-Y375 PolarHBondContact O-N 3.45Å; M372-Y375 HydrophobicContact SD-CE2 3.58Å; M372-Y375 VanDerWaalsContact SD-CE2 3.58Å; Q373-Y375 PolarHBondContact O-N 3.24Å; Q373-Y375 VanDerWaalsContact O-N 3.14Å; Y375-V377 VanDerWaalsContact C-N 3.3Å; Y375-V377 PolarHBondContact O-N 3.26Å; Y375-W378 PolarHBondContact O-N 2.92Å; Y375-W378 VanDerWaalsContact O-N 3.1Å; Y375-F379 HydrophobicContact CD2-CB 4.16Å; Y375-F379 PolarHBondContact O-N 3.48Å
376A96.1Very high94.1Very high1 Ų128.7 Ų28.71%0.00814%0.139CC..Hα-helixtrans-57.3-44.8-173.800000111.5A151 M372 Q373 F379 G380A151-A376 HydrophobicContact CB-CB 4.12Å; A151-A376 WeakPolarHBondContact CB-O 3.49Å; M372-A376 WeakPolarHBondContact O-CA 3.17Å; M372-A376 PolarHBondContact O-N 2.99Å; Q373-A376 PolarHBondContact O-N 3.45Å; A376-F379 PolarHBondContact O-N 2.89Å; A376-G380 PolarHBondContact O-N 3.26Å
377V96.5Very high93.9Very high5 Ų527.2 Ų27.23%0.0314%0.135CC..Hα-helixtrans-52.7-56.7173.8173.80000111.3D11 T113 Q144 L147 A148 Y375 F379 G380 G381D11-V377 HydrophobicContact CB-CG1 4.31Å; T113-V377 HydrophobicContact CG2-CG1 3.71Å; Q144-V377 HydrophobicContact CB-CG1 4.01Å; Q144-V377 HydrophobicContact CB-CG2 3.94Å; Q144-V377 HydrophobicContact CG-CG1 3.72Å; Q144-V377 HydrophobicContact CG-CG2 4.36Å; L147-V377 HydrophobicContact CB-CG1 4.46Å; L147-V377 WeakPolarHBondContact CB-O 3.13Å; L147-V377 HydrophobicContact CD1-CG1 4.11Å; A148-V377 HydrophobicContact CB-CG2 4.44Å; Y375-V377 VanDerWaalsContact C-N 3.3Å; Y375-V377 PolarHBondContact O-N 3.26Å; V377-F379 VanDerWaalsContact C-N 3.31Å; V377-F379 PolarHBondContact O-N 3.33Å; V377-G380 PolarHBondContact O-N 3.37Å; V377-G381 PolarHBondContact O-N 3.43Å
378W97.8Very high93.6Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-59.2-43-179.9-176.391.7000111.7V9 D11 K18 N24 E26 P27 Y375 G381 S382V9-W378 HydrophobicContact CB-CZ2 4.35Å; V9-W378 HydrophobicContact CG1-CD2 4.47Å; V9-W378 HydrophobicContact CG1-CG 4.17Å; V9-W378 PolarHBondContact O-NE1 3.42Å; D11-W378 HydrophobicContact CB-CB 3.98Å; D11-W378 HydrophobicContact CB-CG 4.49Å; K18-W378 HydrophobicContact CB-CB 4.09Å; K18-W378 HydrophobicContact CB-CG 4.03Å; K18-W378 HydrophobicContact CD-CB 4.27Å; K18-W378 VanDerWaalsContact O-CD1 3.23Å; N24-W378 HydrophobicContact CB-CH2 3.99Å; E26-W378 VanDerWaalsContact C-CH2 3.5Å; E26-W378 VanDerWaalsContact O-CH2 3.22Å; E26-W378 WeakPolarHBondContact O-CH2 3.3Å; E26-W378 WeakPolarHBondContact O-CZ3 3.42Å; P27-W378 HydrophobicContact CB-CD2 3.72Å; P27-W378 HydrophobicContact CB-CE3 4.05Å; P27-W378 HydrophobicContact CB-CG 4.13Å; P27-W378 HydrophobicContact CB-CZ2 4.25Å; P27-W378 HydrophobicContact CB-CZ3 4.46Å; P27-W378 HydrophobicContact CG-CD2 4.36Å; P27-W378 HydrophobicContact CG-CE3 4.36Å; P27-W378 VanDerWaalsContact N-CZ3 3.29Å; Y375-W378 PolarHBondContact O-N 2.92Å; Y375-W378 VanDerWaalsContact O-N 3.1Å; W378-G381 CarbonylContact O-C 3.48Å; W378-G381 WeakPolarHBondContact O-CA 3.45Å; W378-G381 PolarHBondContact O-N 2.81Å; W378-S382 PolarHBondContact O-N 3.16Å
379F96.5Very high93.4Very high15 Ų1533.5 Ų33.57%0.06617%0.169CC..Hα-helixtrans-65.6-41.3178.8175.4-108.1000112.3T25 A151 T154 M372 Y375 A376 V377 G381 S382 M383T25-F379 HydrophobicContact CG2-CE2 4.21Å; T25-F379 VanDerWaalsContact O-CD2 3.26Å; T25-F379 WeakPolarHBondContact O-CD2 3.33Å; A151-F379 HydrophobicContact CB-CD1 3.75Å; A151-F379 HydrophobicContact CB-CE1 4.48Å; T154-F379 HydrophobicContact CG2-CE1 3.57Å; T154-F379 HydrophobicContact CG2-CZ 3.8Å; M372-F379 HydrophobicContact CE-CD1 3.23Å; M372-F379 HydrophobicContact CE-CD2 3.81Å; M372-F379 HydrophobicContact CE-CE1 3.09Å; M372-F379 HydrophobicContact CE-CE2 3.71Å; M372-F379 HydrophobicContact CE-CG 3.59Å; M372-F379 HydrophobicContact CE-CZ 3.36Å; M372-F379 HydrophobicContact SD-CB 4.26Å; M372-F379 HydrophobicContact SD-CD1 3.95Å; M372-F379 HydrophobicContact SD-CD2 3.73Å; M372-F379 HydrophobicContact SD-CE1 4.25Å; M372-F379 HydrophobicContact SD-CE2 4.07Å; M372-F379 HydrophobicContact SD-CG 3.67Å; M372-F379 HydrophobicContact SD-CZ 4.32Å; Y375-F379 HydrophobicContact CD2-CB 4.16Å; Y375-F379 PolarHBondContact O-N 3.48Å; A376-F379 PolarHBondContact O-N 2.89Å; V377-F379 VanDerWaalsContact C-N 3.31Å; V377-F379 PolarHBondContact O-N 3.33Å; F379-G381 VanDerWaalsContact C-N 3.27Å; F379-G381 PolarHBondContact O-N 3.2Å; F379-S382 WeakPolarHBondContact O-CB 3.42Å; F379-S382 PolarHBondContact O-N 2.95Å; F379-S382 VanDerWaalsContact O-N 3.17Å; F379-M383 HydrophobicContact CD1-CG 4.39Å; F379-M383 HydrophobicContact CD1-SD 3.92Å; F379-M383 HydrophobicContact CE1-CG 3.83Å; F379-M383 HydrophobicContact CE1-SD 3.17Å; F379-M383 WeakPolarHBondContact CE1-SD 3.27Å; F379-M383 HydrophobicContact CE2-CG 3.98Å; F379-M383 HydrophobicContact CE2-SD 4.38Å; F379-M383 HydrophobicContact CZ-CG 3.59Å; F379-M383 HydrophobicContact CZ-SD 3.45Å; F379-M383 WeakPolarHBondContact CZ-SD 3.18Å; F379-M383 WeakPolarHBondContact O-CG 3.17Å; F379-M383 PolarHBondContact O-N 2.86Å
380G95.2Very high93.4Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-60.6-38.6172.100000112L147 A376 V377 M383 L384L147-G380 WeakPolarHBondContact O-CA 3.35Å; A376-G380 PolarHBondContact O-N 3.26Å; V377-G380 PolarHBondContact O-N 3.37Å; G380-M383 PolarHBondContact O-N 3.48Å; G380-L384 WeakPolarHBondContact O-CB 3.17Å; G380-L384 PolarHBondContact O-N 3.41Å
381G96Very high93.6Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-63.1-43.1171.700000112.7V377 W378 F379 L384 A385V377-G381 PolarHBondContact O-N 3.43Å; W378-G381 CarbonylContact O-C 3.48Å; W378-G381 WeakPolarHBondContact O-CA 3.45Å; W378-G381 PolarHBondContact O-N 2.81Å; F379-G381 VanDerWaalsContact C-N 3.27Å; F379-G381 PolarHBondContact O-N 3.2Å; G381-L384 PolarHBondContact O-N 2.99Å; G381-A385 VanDerWaalsContact O-CB 3.23Å; G381-A385 WeakPolarHBondContact O-CB 3.28Å; G381-A385 PolarHBondContact O-N 3.14Å
382S96.8Very high93.8Very high2 Ų233.3 Ų33.31%0.01416%0.163CC..Hα-helixtrans-61.8-44.3174.9179.30000111.9G23 N24 W378 F379 S386G23-S382 PolarHBondContact N-OG 3.27Å; N24-S382 PolarHBondContact N-OG 3.25Å; N24-S382 PolarHBondContact O-OG 2.94Å; W378-S382 PolarHBondContact O-N 3.16Å; F379-S382 WeakPolarHBondContact O-CB 3.42Å; F379-S382 PolarHBondContact O-N 2.95Å; F379-S382 VanDerWaalsContact O-N 3.17Å; S382-S386 WeakPolarHBondContact O-CB 3.34Å; S382-S386 PolarHBondContact O-N 3.49Å; S382-S386 VanDerWaalsContact O-N 3.15Å; S382-S386 PolarHBondContact O-OG 2.63Å
383M93.9Very high93.9Very high56 Ų5634.8 Ų34.828%0.27617%0.172SC..Hα-helixtrans-59.3-49.7174.2-72.9179.462.700111.2W153 T154 F379 G380 S386W153-M383 HydrophobicContact CE3-CE 4.4Å; T154-M383 HydrophobicContact CG2-CE 4.44Å; T154-M383 HydrophobicContact CG2-SD 4.1Å; F379-M383 HydrophobicContact CD1-CG 4.39Å; F379-M383 HydrophobicContact CD1-SD 3.92Å; F379-M383 HydrophobicContact CE1-CG 3.83Å; F379-M383 HydrophobicContact CE1-SD 3.17Å; F379-M383 WeakPolarHBondContact CE1-SD 3.27Å; F379-M383 HydrophobicContact CE2-CG 3.98Å; F379-M383 HydrophobicContact CE2-SD 4.38Å; F379-M383 HydrophobicContact CZ-CG 3.59Å; F379-M383 HydrophobicContact CZ-SD 3.45Å; F379-M383 WeakPolarHBondContact CZ-SD 3.18Å; F379-M383 WeakPolarHBondContact O-CG 3.17Å; F379-M383 PolarHBondContact O-N 2.86Å; G380-M383 PolarHBondContact O-N 3.48Å; M383-S386 WeakPolarHBondContact O-CB 3.5Å; M383-S386 PolarHBondContact O-N 2.81Å
384L92.7Very high94Very high4 Ų434.5 Ų34.52%0.02117%0.171CC..Hα-helixtrans-61.7-51.8-178.9178.857.7000111.5L111 Y140 L147 G380 G381 S386 T387 F390 F414 M417L111-L384 HydrophobicContact CD1-CB 4.41Å; L111-L384 HydrophobicContact CD1-CD2 4.03Å; L111-L384 HydrophobicContact CD1-CG 4.36Å; Y140-L384 HydrophobicContact CD1-CD2 4.26Å; Y140-L384 HydrophobicContact CE1-CD2 3.69Å; L147-L384 HydrophobicContact CD2-CB 4.49Å; L147-L384 HydrophobicContact CD2-CD2 3.95Å; G380-L384 WeakPolarHBondContact O-CB 3.17Å; G380-L384 PolarHBondContact O-N 3.41Å; G381-L384 PolarHBondContact O-N 2.99Å; L384-S386 PolarHBondContact O-N 3.33Å; L384-S386 VanDerWaalsContact O-N 3.12Å; L384-T387 WeakPolarHBondContact O-CB 3.13Å; L384-T387 WeakPolarHBondContact O-CG2 3.39Å; L384-T387 PolarHBondContact O-N 2.68Å; L384-T387 PolarHBondContact O-OG1 2.91Å; L384-F390 HydrophobicContact CG-CD2 4.47Å; L384-F390 WeakPolarHBondContact O-CB 3.45Å; L384-F414 HydrophobicContact CD1-CD2 3.69Å; L384-F414 HydrophobicContact CD1-CE1 4.46Å; L384-F414 HydrophobicContact CD1-CE2 3.54Å; L384-F414 HydrophobicContact CD1-CG 4.16Å; L384-F414 HydrophobicContact CD1-CZ 3.98Å; L384-F414 HydrophobicContact CD2-CD2 4.32Å; L384-F414 HydrophobicContact CD2-CE2 4.44Å; L384-F414 HydrophobicContact CG-CE2 4.34Å; L384-M417 HydrophobicContact CD1-CE 3.76Å; L384-M417 HydrophobicContact CD1-SD 3.74Å
385A95.4Very high94.1Very high0 Ų029.7 Ų29.70%015%0.154CC..Hα-helixtrans-70.7-7.1-176.400000113.9A7 V9 A22 L111 G381 F390A7-A385 HydrophobicContact CB-CB 3.9Å; V9-A385 HydrophobicContact CG2-CB 4.11Å; A22-A385 HydrophobicContact CB-CB 3.7Å; L111-A385 HydrophobicContact CB-CB 4.42Å; L111-A385 HydrophobicContact CD1-CB 4.12Å; G381-A385 VanDerWaalsContact O-CB 3.23Å; G381-A385 WeakPolarHBondContact O-CB 3.28Å; G381-A385 PolarHBondContact O-N 3.14Å; A385-F390 HydrophobicContact CB-CD1 4.13Å; A385-F390 HydrophobicContact CB-CD2 4.03Å; A385-F390 HydrophobicContact CB-CE1 4.07Å; A385-F390 HydrophobicContact CB-CE2 3.95Å; A385-F390 HydrophobicContact CB-CG 4.12Å; A385-F390 HydrophobicContact CB-CZ 3.98Å
386S94Very high94.1Very high62 Ų6229.6 Ų29.643%0.43416%0.158SC..THydrogen-bonded Turntrans-84.2-9.2170.3-58.80000113.5G23 S382 M383 L384G23-S386 WeakPolarHBondContact CA-OG 3.46Å; G23-S386 PolarHBondContact N-OG 3.3Å; S382-S386 WeakPolarHBondContact O-CB 3.34Å; S382-S386 PolarHBondContact O-N 3.49Å; S382-S386 VanDerWaalsContact O-N 3.15Å; S382-S386 PolarHBondContact O-OG 2.63Å; M383-S386 WeakPolarHBondContact O-CB 3.5Å; M383-S386 PolarHBondContact O-N 2.81Å; L384-S386 PolarHBondContact O-N 3.33Å; L384-S386 VanDerWaalsContact O-N 3.12Å
387T92.1Very high94.2Very high34 Ų3432.1 Ų32.121%0.20917%0.168CC..SBendtrans-87.6146.5-177.9680000111.5L384 E389 F390L384-T387 WeakPolarHBondContact O-CB 3.13Å; L384-T387 WeakPolarHBondContact O-CG2 3.39Å; L384-T387 PolarHBondContact O-N 2.68Å; L384-T387 PolarHBondContact O-OG1 2.91Å; T387-E389 WeakPolarHBondContact CB-OE2 3.27Å; T387-E389 PolarHBondContact O-N 2.86Å; T387-F390 WeakPolarHBondContact O-CB 3.45Å; T387-F390 PolarHBondContact O-N 3.4Å; T387-F390 PolarHBondContact OG1-N 3.38Å
388P91.1Very high94.2Very high57 Ų5738.8 Ų38.837%0.3720%0.197SC..THydrogen-bonded Turntrans-57.9-33.4172.7-27.836.8000114M1 F390 Y391M1-P388 HydrophobicContact CE-CB 3.91Å; M1-P388 HydrophobicContact CE-CG 4.32Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.17Å; P388-Y391 PolarHBondContact O-N 2.81Å
389E90.3Very high94.1Very high83 Ų8341.3 Ų41.339%0.38821%0.21SC..THydrogen-bonded Turntrans-67.9-30-176.7-62.968.3-150.200111.6T387 Y391 Q392 V393 F414T387-E389 WeakPolarHBondContact CB-OE2 3.27Å; T387-E389 PolarHBondContact O-N 2.86Å; E389-Y391 PolarHBondContact O-N 3.34Å; E389-Q392 WeakPolarHBondContact O-CB 3.46Å; E389-Q392 PolarHBondContact O-N 3Å; E389-V393 PolarHBondContact O-N 3.41Å; E389-F414 VanDerWaalsContact C-CZ 3.5Å; E389-F414 HydrophobicContact CB-CE1 3.37Å; E389-F414 HydrophobicContact CB-CZ 3.61Å; E389-F414 HydrophobicContact CG-CE1 4.3Å
390F93.3Very high94.1Very high0 Ų041.2 Ų41.20%021%0.21CC..Hα-helixtrans-50.4-46.8178.1162.6-103.8000111.1A7 Y109 L111 Y140 L384 A385 T387 P388 Q392 V393 C394A7-F390 HydrophobicContact CB-CD1 4.4Å; A7-F390 HydrophobicContact CB-CE1 3.58Å; A7-F390 HydrophobicContact CB-CZ 4.06Å; Y109-F390 HydrophobicContact CD1-CE1 4.42Å; L111-F390 HydrophobicContact CB-CE2 3.91Å; L111-F390 HydrophobicContact CB-CZ 4.12Å; L111-F390 HydrophobicContact CD1-CD2 4.34Å; L111-F390 HydrophobicContact CD1-CE2 3.87Å; L111-F390 HydrophobicContact CG-CE2 4.27Å; Y140-F390 HydrophobicContact CD1-CE2 4.28Å; Y140-F390 HydrophobicContact CG-CE2 4.23Å; L384-F390 HydrophobicContact CG-CD2 4.47Å; L384-F390 WeakPolarHBondContact O-CB 3.45Å; A385-F390 HydrophobicContact CB-CD1 4.13Å; A385-F390 HydrophobicContact CB-CD2 4.03Å; A385-F390 HydrophobicContact CB-CE1 4.07Å; A385-F390 HydrophobicContact CB-CE2 3.95Å; A385-F390 HydrophobicContact CB-CG 4.12Å; A385-F390 HydrophobicContact CB-CZ 3.98Å; T387-F390 WeakPolarHBondContact O-CB 3.45Å; T387-F390 PolarHBondContact O-N 3.4Å; T387-F390 PolarHBondContact OG1-N 3.38Å; P388-F390 VanDerWaalsContact C-N 3.28Å; P388-F390 PolarHBondContact O-N 3.17Å; F390-Q392 PolarHBondContact O-N 3.15Å; F390-V393 VanDerWaalsContact O-CG2 3.3Å; F390-V393 WeakPolarHBondContact O-CG2 3.48Å; F390-V393 PolarHBondContact O-N 2.9Å; F390-C394 VanDerWaalsContact CE2-SG 3.57Å; F390-C394 WeakPolarHBondContact CZ-SG 3.4Å; F390-C394 PolarHBondContact O-N 2.89Å; F390-C394 VanDerWaalsContact O-N 3.12Å; F390-C394 PolarHBondContact O-SG 3.47Å
391Y92.3Very high94.2Very high44 Ų4447.3 Ų47.317%0.17324%0.238CC..Hα-helixtrans-68-17.1-179-59-80.2000114.3R4 Y109 P388 E389R4-Y391 HydrophobicContact CG-CE1 4.24Å; R4-Y391 VanDerWaalsContact NH1-CD1 3.28Å; Y109-Y391 AromaticContact CD1-CD1 3.63Å; Y109-Y391 HydrophobicContact CD1-CD1 3.63Å; Y109-Y391 HydrophobicContact CD1-CE1 4.27Å; Y109-Y391 HydrophobicContact CD2-CD1 4.2Å; Y109-Y391 HydrophobicContact CD2-CE1 4.33Å; Y109-Y391 AromaticContact CE1-CD1 3.98Å; Y109-Y391 HydrophobicContact CE1-CD1 3.98Å; Y109-Y391 AromaticContact CG-CD1 3.77Å; Y109-Y391 HydrophobicContact CG-CD1 3.77Å; Y109-Y391 AromaticContact CG-CE1 3.96Å; Y109-Y391 HydrophobicContact CG-CE1 3.96Å; P388-Y391 PolarHBondContact O-N 2.81Å; E389-Y391 PolarHBondContact O-N 3.34Å
392Q90.5Very high94.3Very high158 Ų15854.3 Ų54.374%0.73827%0.271SS*.Hα-helixtrans-85.2-24.5177.8-59.4178.99.300112E389 F390E389-Q392 WeakPolarHBondContact O-CB 3.46Å; E389-Q392 PolarHBondContact O-N 3Å; F390-Q392 PolarHBondContact O-N 3.15Å
393V90.8Very high94.2Very high35 Ų3558.6 Ų58.621%0.21229%0.293CS..Hα-helixtrans-101.5-11.2-179.2-54.20000113.2Y140 E389 F390 P412 F414Y140-V393 HydrophobicContact CD2-CG2 4.01Å; Y140-V393 HydrophobicContact CE2-CG2 3.92Å; E389-V393 PolarHBondContact O-N 3.41Å; F390-V393 VanDerWaalsContact O-CG2 3.3Å; F390-V393 WeakPolarHBondContact O-CG2 3.48Å; F390-V393 PolarHBondContact O-N 2.9Å; V393-P412 HydrophobicContact CB-CB 4.14Å; V393-P412 HydrophobicContact CB-CG 4Å; V393-P412 WeakPolarHBondContact O-CG 3.43Å; V393-F414 HydrophobicContact CB-CE2 4.19Å; V393-F414 HydrophobicContact CG1-CE2 4.03Å; V393-F414 HydrophobicContact CG1-CZ 3.98Å; V393-F414 HydrophobicContact CG2-CD2 3.97Å; V393-F414 HydrophobicContact CG2-CE2 3.15Å; V393-F414 HydrophobicContact CG2-CZ 3.7Å
394C94.4Very high94.3Very high6 Ų656.9 Ų56.94%0.04129%0.289CS..SBendtrans-60.3138.6170.1-70.70000110Y109 L139 F390 T396Y109-C394 HydrophobicContact CD1-CB 3.78Å; Y109-C394 HydrophobicContact CE1-CB 3.83Å; L139-C394 WeakPolarHBondContact O-CA 3.24Å; F390-C394 VanDerWaalsContact CE2-SG 3.57Å; F390-C394 WeakPolarHBondContact CZ-SG 3.4Å; F390-C394 PolarHBondContact O-N 2.89Å; F390-C394 VanDerWaalsContact O-N 3.12Å; F390-C394 PolarHBondContact O-SG 3.47Å; C394-T396 PolarHBondContact O-N 3.42Å
395H95.2Very high94.4Very high26 Ų2658 Ų5812%0.1230%0.297CS..EExtended strand (participates in β ladder)trans-66.8126.8163.4-62.8-51.9000107.4F131 G138 L139 I407 H410F131-H395 HydrophobicContact CZ-CB 4.42Å; F131-H395 WeakPolarHBondContact CZ-O 3.33Å; G138-H395 CarbonylContact C-O 3.57Å; G138-H395 WeakPolarHBondContact CA-O 3.38Å; L139-H395 PolarHBondContact N-O 3.03Å; L139-H395 PolarHBondContact O-N 3.06Å; H395-I407 HydrophobicContact CB-CD1 4.41Å; H395-I407 HydrophobicContact CB-CG2 4.46Å; H395-I407 PolarHBondContact CE1-O 3.09Å; H395-I407 PolarHBondContact NE2-O 3.36Å; H395-H410 PolarHBondContact NE2-O 3.01Å
396T96.3Very high94.4Very high34 Ų3460.6 Ų60.621%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-89.1157.2178.773.10000110.4C394 K398 D399 Y400C394-T396 PolarHBondContact O-N 3.42Å; T396-K398 PolarHBondContact O-N 3.17Å; T396-D399 WeakPolarHBondContact CB-OD2 3.42Å; T396-D399 PolarHBondContact N-OD2 2.55Å; T396-D399 PolarHBondContact O-N 2.81Å; T396-D399 PolarHBondContact OG1-N 3.27Å; T396-D399 PolarHBondContact OG1-OD2 3.06Å; T396-Y400 PolarHBondContact O-N 3.18Å
397K96.9Very high94.4Very high54 Ų5458.8 Ų58.824%0.23530%0.3CS..Hα-helixtrans-54.1-38.4174-168.7-174.8-178.8-1480112.3F131 N135 P137 D399 Y400 E401F131-K397 HydrophobicContact CD1-CB 3.99Å; F131-K397 HydrophobicContact CD1-CG 4.04Å; F131-K397 HydrophobicContact CE1-CB 4.04Å; N135-K397 WeakPolarHBondContact OD1-CE 3.39Å; N135-K397 PolarHBondContact OD1-NZ 3.06Å; P137-K397 PolarHBondContact O-N 3.37Å; K397-D399 PolarHBondContact O-N 2.79Å; K397-Y400 WeakPolarHBondContact O-CB 3.32Å; K397-Y400 PolarHBondContact O-N 3.12Å; K397-E401 WeakPolarHBondContact CE-OE1 3.37Å; K397-E401 IonicContact NZ-OE1 3.09Å; K397-E401 PolarHBondContact NZ-OE1 2.66Å; K397-E401 VanDerWaalsContact NZ-OE1 3.15Å; K397-E401 WeakPolarHBondContact O-CG 3.37Å; K397-E401 PolarHBondContact O-N 2.98Å
398K96.8Very high94.4Very high144 Ų14457.4 Ų57.463%0.62629%0.292SS*.Hα-helixtrans-61.1-45.4176.8-175.5-169.1171.4-1620111.6T396 Y400 E401 E402T396-K398 PolarHBondContact O-N 3.17Å; K398-Y400 VanDerWaalsContact C-N 3.31Å; K398-E401 PolarHBondContact O-N 3.17Å; K398-E402 PolarHBondContact O-N 2.87Å; K398-E402 VanDerWaalsContact O-N 3.12Å
399D95Very high94.4Very high54 Ų5458.9 Ų58.929%0.28929%0.29SS..Hα-helixtrans-67.9-36.4179.8-50.6-45.2000110.9T396 K397 E402 I403 I407T396-D399 WeakPolarHBondContact CB-OD2 3.42Å; T396-D399 PolarHBondContact N-OD2 2.55Å; T396-D399 PolarHBondContact O-N 2.81Å; T396-D399 PolarHBondContact OG1-N 3.27Å; T396-D399 PolarHBondContact OG1-OD2 3.06Å; K397-D399 PolarHBondContact O-N 2.79Å; D399-E402 PolarHBondContact O-N 3.21Å; D399-I403 WeakPolarHBondContact O-CB 3.37Å; D399-I403 PolarHBondContact O-N 2.93Å; D399-I407 HydrophobicContact CB-CD1 3.36Å
400Y97Very high93.9Very high12 Ų1262.3 Ų62.35%0.04731%0.305CS..Hα-helixtrans-61.7-45.4171.8178.7-88000112.2A127 E128 F131 E132 T396 K397 K398 E402 G404 P405 I407A127-Y400 HydrophobicContact CB-CD2 4.25Å; A127-Y400 HydrophobicContact CB-CE2 3.83Å; E128-Y400 WeakPolarHBondContact CA-OH 3.27Å; E128-Y400 WeakPolarHBondContact CG-OH 3.43Å; F131-Y400 HydrophobicContact CB-CD1 3.73Å; F131-Y400 HydrophobicContact CB-CD2 4.19Å; F131-Y400 HydrophobicContact CB-CE1 3.83Å; F131-Y400 HydrophobicContact CB-CE2 4.22Å; F131-Y400 HydrophobicContact CB-CG 3.94Å; F131-Y400 HydrophobicContact CD2-CD1 4.27Å; F131-Y400 AromaticContact CD2-CD2 3.33Å; F131-Y400 HydrophobicContact CD2-CD2 3.33Å; F131-Y400 AromaticContact CD2-CE2 3.83Å; F131-Y400 HydrophobicContact CD2-CE2 3.83Å; F131-Y400 AromaticContact CD2-CG 3.57Å; F131-Y400 HydrophobicContact CD2-CG 3.57Å; F131-Y400 AromaticContact CE2-CD2 3.9Å; F131-Y400 HydrophobicContact CE2-CD2 3.9Å; F131-Y400 HydrophobicContact CE2-CG 4.15Å; F131-Y400 HydrophobicContact CG-CD1 4.07Å; F131-Y400 AromaticContact CG-CD2 3.97Å; F131-Y400 HydrophobicContact CG-CD2 3.97Å; F131-Y400 HydrophobicContact CG-CE2 4.41Å; F131-Y400 AromaticContact CG-CG 3.77Å; F131-Y400 HydrophobicContact CG-CG 3.77Å; E132-Y400 VanDerWaalsContact CD-OH 3.3Å; E132-Y400 HydrophobicContact CG-CE1 3.86Å; E132-Y400 WeakPolarHBondContact CG-OH 3.42Å; E132-Y400 PolarHBondContact OE1-OH 3.2Å; T396-Y400 PolarHBondContact O-N 3.18Å; K397-Y400 WeakPolarHBondContact O-CB 3.32Å; K397-Y400 PolarHBondContact O-N 3.12Å; K398-Y400 VanDerWaalsContact C-N 3.31Å; Y400-E402 PolarHBondContact O-N 2.99Å; Y400-G404 WeakPolarHBondContact O-CA 3.21Å; Y400-G404 PolarHBondContact O-N 3.23Å; Y400-P405 HydrophobicContact CE2-CB 4.13Å; Y400-P405 HydrophobicContact CE2-CG 4.06Å; Y400-P405 WeakPolarHBondContact OH-CG 3.26Å; Y400-I407 HydrophobicContact CD2-CG2 4.45Å
401E97.7Very high93Very high128 Ų12864 Ų6460%0.59832%0.315SS*.Hα-helixtrans-64.4-28.4177.5-73.4171.7177.300112.5K397 K398K397-E401 WeakPolarHBondContact CE-OE1 3.37Å; K397-E401 IonicContact NZ-OE1 3.09Å; K397-E401 PolarHBondContact NZ-OE1 2.66Å; K397-E401 VanDerWaalsContact NZ-OE1 3.15Å; K397-E401 WeakPolarHBondContact O-CG 3.37Å; K397-E401 PolarHBondContact O-N 2.98Å; K398-E401 PolarHBondContact O-N 3.17Å
402E97.2Very high91.7Very high147 Ų14764 Ų6469%0.68732%0.32SS*.Hα-helixtrans-82.9-41.5179.1-174.2172.9168.800113.3K398 D399 Y400K398-E402 PolarHBondContact O-N 2.87Å; K398-E402 VanDerWaalsContact O-N 3.12Å; D399-E402 PolarHBondContact O-N 3.21Å; Y400-E402 PolarHBondContact O-N 2.99Å
403I95.6Very high90.2Very high93 Ų9359.2 Ų59.248%0.47730%0.302SS..Hα-helixtrans-104.8-23.9-171.1-61.9169.2000112.2D399 I407D399-I403 WeakPolarHBondContact O-CB 3.37Å; D399-I403 PolarHBondContact O-N 2.93Å; I403-I407 HydrophobicContact CB-CB 4.23Å; I403-I407 HydrophobicContact CD1-CD1 3.84Å; I403-I407 HydrophobicContact CD1-CG1 4.12Å; I403-I407 HydrophobicContact CG2-CB 3.96Å; I403-I407 HydrophobicContact CG2-CG1 4.49Å
404G95.8Very high88.7Confident20 Ų2058.3 Ų58.321%0.20630%0.295CS..  trans80.8-171.7-171.300000113.7Y400 S406 I407Y400-G404 WeakPolarHBondContact O-CA 3.21Å; Y400-G404 PolarHBondContact O-N 3.23Å; G404-S406 PolarHBondContact O-N 2.77Å; G404-I407 WeakPolarHBondContact O-CG2 3.19Å; G404-I407 PolarHBondContact O-N 3.5Å
405P95.2Very high86.7Confident27 Ų2760.7 Ų60.718%0.17532%0.321CS..G310 helixtrans-54.8-30.2-175.2-23.829000114.8E124 E128 Y400 I407 C408E124-P405 HydrophobicContact CB-CB 3.65Å; E124-P405 HydrophobicContact CG-CB 3.8Å; E128-P405 HydrophobicContact CG-CB 4.19Å; E128-P405 HydrophobicContact CG-CG 3.74Å; Y400-P405 HydrophobicContact CE2-CB 4.13Å; Y400-P405 HydrophobicContact CE2-CG 4.06Å; Y400-P405 WeakPolarHBondContact OH-CG 3.26Å; P405-I407 PolarHBondContact O-N 2.98Å; P405-C408 PolarHBondContact O-N 2.96Å
406S95.3Very high84.1Confident54 Ų5465 Ų6538%0.37835%0.349SS..G310 helixtrans-59.1-20.6-175.972.90000114.6E124 G404 C408 R409E124-S406 WeakPolarHBondContact OE1-CA 3.46Å; E124-S406 WeakPolarHBondContact OE1-CB 3.33Å; E124-S406 PolarHBondContact OE1-N 3.32Å; G404-S406 PolarHBondContact O-N 2.77Å; S406-C408 PolarHBondContact O-N 3.16Å; S406-R409 VanDerWaalsContact O-CB 3.31Å; S406-R409 WeakPolarHBondContact O-CB 3.42Å; S406-R409 WeakPolarHBondContact O-CG 3.41Å; S406-R409 PolarHBondContact O-N 3.41Å
407I93.1Very high81.7Confident25 Ų2565.2 Ų65.213%0.12835%0.348CS..G310 helixtrans-57.5-35.1174-160.6-177.7000111.8H395 D399 Y400 I403 G404 P405 R409 H410H395-I407 HydrophobicContact CB-CD1 4.41Å; H395-I407 HydrophobicContact CB-CG2 4.46Å; H395-I407 PolarHBondContact CE1-O 3.09Å; H395-I407 PolarHBondContact NE2-O 3.36Å; D399-I407 HydrophobicContact CB-CD1 3.36Å; Y400-I407 HydrophobicContact CD2-CG2 4.45Å; I403-I407 HydrophobicContact CB-CB 4.23Å; I403-I407 HydrophobicContact CD1-CD1 3.84Å; I403-I407 HydrophobicContact CD1-CG1 4.12Å; I403-I407 HydrophobicContact CG2-CB 3.96Å; I403-I407 HydrophobicContact CG2-CG1 4.49Å; G404-I407 WeakPolarHBondContact O-CG2 3.19Å; G404-I407 PolarHBondContact O-N 3.5Å; P405-I407 PolarHBondContact O-N 2.98Å; I407-R409 PolarHBondContact O-N 3.12Å; I407-H410 PolarHBondContact O-N 2.76Å
408C92.8Very high79Confident4 Ų469 Ų693%0.02738%0.381CS..G310 helixtrans-77.2-6.9-179.5-700000113.2R123 A127 I141 P405 S406 H410R123-C408 HydrophobicContact CB-CB 4.45Å; R123-C408 VanDerWaalsContact CD-O 3.22Å; R123-C408 WeakPolarHBondContact CD-O 3.25Å; A127-C408 HydrophobicContact CB-CB 3.87Å; A127-C408 WeakPolarHBondContact CB-SG 3.44Å; I141-C408 HydrophobicContact CD1-CB 4.25Å; P405-C408 PolarHBondContact O-N 2.96Å; S406-C408 PolarHBondContact O-N 3.16Å; C408-H410 PolarHBondContact O-N 3.07Å
409R90.9Very high78.1Confident88 Ų8865.3 Ų65.333%0.33237%0.369SS..G310 helixtrans-65.2-29.3172.2-64.4-172.6-177.4-128.1-6.5111.8P120 E121 R123 E124 S406 I407P120-R409 HydrophobicContact CB-CB 4.24Å; P120-R409 HydrophobicContact CB-CG 3.74Å; E121-R409 IonicContact OE1-CZ 3.05Å; E121-R409 IonicContact OE1-NH1 3.15Å; E121-R409 PolarHBondContact OE1-NH1 3.37Å; E121-R409 IonicContact OE1-NH2 3.51Å; E121-R409 PolarHBondContact OE1-NH2 3.41Å; R123-R409 PolarHBondContact NH1-O 2.96Å; E124-R409 VanDerWaalsContact CD-NE 3.28Å; E124-R409 HydrophobicContact CG-CG 4.11Å; E124-R409 IonicContact OE1-CZ 2.76Å; E124-R409 VanDerWaalsContact OE1-CZ 3.23Å; E124-R409 IonicContact OE1-NE 3.01Å; E124-R409 PolarHBondContact OE1-NE 3.17Å; E124-R409 IonicContact OE1-NH2 3.23Å; E124-R409 PolarHBondContact OE1-NH2 2.94Å; E124-R409 IonicContact OE2-CZ 2.67Å; E124-R409 IonicContact OE2-NE 2.74Å; E124-R409 IonicContact OE2-NH2 3.61Å; E124-R409 PolarHBondContact OE2-NH2 2.77Å; S406-R409 VanDerWaalsContact O-CB 3.31Å; S406-R409 WeakPolarHBondContact O-CB 3.42Å; S406-R409 WeakPolarHBondContact O-CG 3.41Å; S406-R409 PolarHBondContact O-N 3.41Å; I407-R409 PolarHBondContact O-N 3.12Å
410H80.2Confident77.2Confident155 Ų15565.8 Ų65.872%0.71837%0.373SS*.SBendtrans-95.2133.3175.9-87.677.6000111.3H395 I407 C408H395-H410 PolarHBondContact NE2-O 3.01Å; I407-H410 PolarHBondContact O-N 2.76Å; C408-H410 PolarHBondContact O-N 3.07Å
411N73.4Confident76.1Confident37 Ų3768.8 Ų68.820%0.19839%0.391CS..  trans-105.1110.8175.8-156.7-22.3000108.9Y140 I141 V413Y140-N411 WeakPolarHBondContact CE2-OD1 3.28Å; Y140-N411 PolarHBondContact OH-OD1 2.77Å; I141-N411 PolarHBondContact O-ND2 3.14Å; I141-N411 PolarHBondContact O-OD1 2.87Å; N411-V413 PolarHBondContact O-N 3.4Å; N411-V413 VanDerWaalsContact O-N 3.09Å
412P65.7Low74.9Confident44 Ų4465.4 Ų65.429%0.28638%0.379SS..  trans-64.4112.9170.821-23.6000108.7Y140 V393Y140-P412 HydrophobicContact CE2-CG 4.07Å; Y140-P412 PolarHBondContact OH-O 3.08Å; V393-P412 HydrophobicContact CB-CB 4.14Å; V393-P412 HydrophobicContact CB-CG 4Å; V393-P412 WeakPolarHBondContact O-CG 3.43Å
413V58.7Low73.5Confident57 Ų5760.3 Ų60.335%0.34536%0.359SS..  trans-79.7132179.3-179.40000109.4Y184 N411 G415Y184-V413 HydrophobicContact CD1-CG2 4.21Å; Y184-V413 HydrophobicContact CE1-CB 4.18Å; Y184-V413 HydrophobicContact CE1-CG1 4.34Å; Y184-V413 HydrophobicContact CE1-CG2 3.85Å; N411-V413 PolarHBondContact O-N 3.4Å; N411-V413 VanDerWaalsContact O-N 3.09Å; V413-G415 PolarHBondContact O-N 3.33Å
414F59.5Low72Confident15 Ų1558.1 Ų58.17%0.06635%0.352CS..  trans-72.989.7171.5-99.4-81.4000111.5L384 E389 V393 V416 M417L384-F414 HydrophobicContact CD1-CD2 3.69Å; L384-F414 HydrophobicContact CD1-CE1 4.46Å; L384-F414 HydrophobicContact CD1-CE2 3.54Å; L384-F414 HydrophobicContact CD1-CG 4.16Å; L384-F414 HydrophobicContact CD1-CZ 3.98Å; L384-F414 HydrophobicContact CD2-CD2 4.32Å; L384-F414 HydrophobicContact CD2-CE2 4.44Å; L384-F414 HydrophobicContact CG-CE2 4.34Å; E389-F414 VanDerWaalsContact C-CZ 3.5Å; E389-F414 HydrophobicContact CB-CE1 3.37Å; E389-F414 HydrophobicContact CB-CZ 3.61Å; E389-F414 HydrophobicContact CG-CE1 4.3Å; V393-F414 HydrophobicContact CB-CE2 4.19Å; V393-F414 HydrophobicContact CG1-CE2 4.03Å; V393-F414 HydrophobicContact CG1-CZ 3.98Å; V393-F414 HydrophobicContact CG2-CD2 3.97Å; V393-F414 HydrophobicContact CG2-CE2 3.15Å; V393-F414 HydrophobicContact CG2-CZ 3.7Å; F414-V416 PolarHBondContact O-N 3.26Å; F414-M417 HydrophobicContact CB-CE 4.03Å; F414-M417 HydrophobicContact CD1-CG 4.28Å; F414-M417 HydrophobicContact CG-CE 4.45Å
415G51.7Low70.3Confident57 Ų5760.8 Ų60.859%0.58836%0.362SS*.THydrogen-bonded Turntrans-74.35.8170.900000114.9V413V413-G415 PolarHBondContact O-N 3.33Å
416V42.1Very low68.4Low117 Ų11763.4 Ų63.471%0.70938%0.376SS*.THydrogen-bonded Turntrans-123.76.7-162.8-1420000114.7F414 S418F414-V416 PolarHBondContact O-N 3.26Å; V416-S418 VanDerWaalsContact C-N 3.34Å
417M44.3Very low66.1Low38 Ų3864.2 Ų64.219%0.18738%0.376CS..  trans-86.81.4176.7-73.5-162.9-77.200114.6W153 L384 F414W153-M417 HydrophobicContact CH2-CB 3.49Å; W153-M417 VanDerWaalsContact CH2-CB 3.49Å; W153-M417 HydrophobicContact CH2-CE 4.38Å; W153-M417 HydrophobicContact CH2-CG 4.48Å; W153-M417 HydrophobicContact CH2-SD 4.23Å; W153-M417 HydrophobicContact CZ3-CB 3.84Å; W153-M417 HydrophobicContact CZ3-SD 4.02Å; L384-M417 HydrophobicContact CD1-CE 3.76Å; L384-M417 HydrophobicContact CD1-SD 3.74Å; F414-M417 HydrophobicContact CB-CE 4.03Å; F414-M417 HydrophobicContact CD1-CG 4.28Å; F414-M417 HydrophobicContact CG-CE 4.45Å
418S41.4Very low63.7Low133 Ų13367.7 Ų67.793%0.9340%0.399SS*.  trans-830166.661.40000110.4V416V416-S418 VanDerWaalsContact C-N 3.34Å

Retrieved 418 of 418 residues in 269.4 ms (Link to these results)

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