G4LXB1_SCHMA Loading...

Elongation factor 1-gamma, putative

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. GST isoenzymes appear to play a central role in the parasite detoxification system. Other functions are also suspected including a role in increasing the solubility of haematin in the parasite gut.

AlphaFold DB , UniProt , Accession G4LXB1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 417 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
1M56.8Low86.6Confident239 Ų23961.5 Ų61.5100%1.17732%0.324SS*.  0130.70-81.7-176.7-109.300107.1
2T70.3Confident86Confident90 Ų9061.5 Ų61.555%0.55235%0.349SS*.  trans-75.4123.2173.133.50000108.5S4T2-S4 PolarHBondContact O-N 2.85Å
3V87.9Confident85.9Confident44 Ų4461.2 Ų61.227%0.26734%0.34SS..  trans-71.6122.7178.1179.50000108.3C28 F58 A60 L76V3-C28 WeakPolarHBondContact O-CB 3.44Å; V3-C28 PolarHBondContact O-SG 3.41Å; V3-F58 HydrophobicContact CG1-CE1 3.98Å; V3-F58 HydrophobicContact CG1-CZ 3.99Å; V3-A60 HydrophobicContact CG1-CB 4.18Å; V3-L76 HydrophobicContact CB-CD2 4.46Å; V3-L76 HydrophobicContact CG1-CD2 4.34Å
4S92.5Very high85.9Confident29 Ų2958.6 Ų58.620%0.20332%0.324CS..  trans-113.2155.7174.8-60.50000109.7T2 A60 D61T2-S4 PolarHBondContact O-N 2.85Å; S4-A60 WeakPolarHBondContact O-CA 3.31Å; S4-D61 WeakPolarHBondContact CB-OD2 3.49Å; S4-D61 PolarHBondContact O-N 3.31Å
5G95.4Very high86Confident3 Ų360.5 Ų60.53%0.03132%0.324CS..EExtended strand (participates in β ladder)trans167.7-167.5-178.100000114.6A29 K31 E59G5-A29 PolarHBondContact N-O 3.49Å; G5-K31 PolarHBondContact O-N 2.9Å; G5-E59 CarbonylContact C-O 3.52Å; G5-E59 VanDerWaalsContact CA-O 3.26Å; G5-E59 WeakPolarHBondContact CA-O 3.38Å
6T97Very high86.4Confident22 Ų2256.8 Ų56.814%0.13530%0.304CS..EExtended strand (participates in β ladder)trans-113.6123.6-176.6-55.80000111.5Y8 K31 V33 F58 E59T6-Y8 HydrophobicContact CG2-CD2 4.13Å; T6-Y8 HydrophobicContact CG2-CE1 4.11Å; T6-Y8 HydrophobicContact CG2-CE2 3.57Å; T6-K31 CarbonylContact C-O 3.5Å; T6-K31 VanDerWaalsContact CA-O 3.3Å; T6-K31 WeakPolarHBondContact CA-O 3.41Å; T6-K31 HydrophobicContact CG2-CB 4.46Å; T6-K31 HydrophobicContact CG2-CD 4.41Å; T6-K31 HydrophobicContact CG2-CG 4.41Å; T6-V33 HydrophobicContact CG2-CB 4.14Å; T6-V33 HydrophobicContact CG2-CG2 3.49Å; T6-V33 VanDerWaalsContact CG2-CG2 3.49Å; T6-F58 WeakPolarHBondContact O-CA 3.32Å; T6-F58 WeakPolarHBondContact O-CD2 3.49Å; T6-E59 PolarHBondContact N-O 3.49Å; T6-E59 PolarHBondContact O-N 2.97Å
7L96.5Very high87Confident0 Ų055.5 Ų55.50%029%0.294CS..EExtended strand (participates in β ladder)trans-97.6121.8171.3-173.473.1000109.9T9 A19 Q20 L30 K31 I32 V33 P56 F58 I72L7-T9 HydrophobicContact CD2-CG2 4.15Å; L7-T9 HydrophobicContact CG-CG2 4.33Å; L7-A19 HydrophobicContact CD1-CB 4.36Å; L7-A19 HydrophobicContact CD2-CB 4.31Å; L7-Q20 HydrophobicContact CD2-CG 3.8Å; L7-L30 HydrophobicContact CB-CD1 3.94Å; L7-L30 HydrophobicContact CB-CD2 4.27Å; L7-L30 HydrophobicContact CB-CG 4.16Å; L7-L30 HydrophobicContact CD2-CD2 4.12Å; L7-K31 PolarHBondContact N-O 2.88Å; L7-I32 WeakPolarHBondContact O-CA 3.37Å; L7-V33 PolarHBondContact O-N 3.14Å; L7-P56 HydrophobicContact CD1-CB 4Å; L7-F58 HydrophobicContact CD1-CB 4.23Å; L7-I72 HydrophobicContact CD1-CD1 4.31Å; L7-I72 HydrophobicContact CD1-CG2 4.01Å
8Y94.7Very high87.6Confident42 Ų4252.6 Ų52.617%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-99.6118.2174.3-58.5-96.8000109.4T6 V33 F46 P56 V57 E59T6-Y8 HydrophobicContact CG2-CD2 4.13Å; T6-Y8 HydrophobicContact CG2-CE1 4.11Å; T6-Y8 HydrophobicContact CG2-CE2 3.57Å; Y8-V33 WeakPolarHBondContact CA-O 3.42Å; Y8-V33 HydrophobicContact CD1-CB 3.72Å; Y8-V33 HydrophobicContact CD1-CG1 3.71Å; Y8-V33 HydrophobicContact CE1-CB 3.89Å; Y8-V33 HydrophobicContact CE1-CG1 3.79Å; Y8-V33 HydrophobicContact CE1-CG2 4.29Å; Y8-V33 HydrophobicContact CG-CB 4.48Å; Y8-F46 AromaticContact CD1-CE2 3.81Å; Y8-F46 HydrophobicContact CD1-CE2 3.81Å; Y8-F46 HydrophobicContact CD1-CZ 4.45Å; Y8-F46 HydrophobicContact CD2-CE2 4.11Å; Y8-F46 HydrophobicContact CE1-CE2 4.05Å; Y8-F46 HydrophobicContact CE2-CE2 4.36Å; Y8-F46 AromaticContact CG-CE2 3.83Å; Y8-F46 HydrophobicContact CG-CE2 3.83Å; Y8-F46 HydrophobicContact CG-CZ 4.21Å; Y8-P56 WeakPolarHBondContact O-CA 3.47Å; Y8-V57 HydrophobicContact CD2-CG2 4.11Å; Y8-V57 HydrophobicContact CG-CG2 4.27Å; Y8-V57 PolarHBondContact N-O 3.15Å; Y8-V57 PolarHBondContact O-N 3.4Å; Y8-V57 VanDerWaalsContact O-N 3.11Å; Y8-E59 HydrophobicContact CE2-CB 4.37Å
9T92.8Very high88Confident3 Ų349.8 Ų49.82%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-157.4148.6-178.3-178.30000110.9L7 S16 I32 V33 N34 F35L7-T9 HydrophobicContact CD2-CG2 4.15Å; L7-T9 HydrophobicContact CG-CG2 4.33Å; T9-S16 VanDerWaalsContact OG1-CB 3.24Å; T9-S16 WeakPolarHBondContact OG1-CB 3.1Å; T9-S16 PolarHBondContact OG1-OG 3.43Å; T9-I32 HydrophobicContact CG2-CG2 4.03Å; T9-V33 PolarHBondContact N-O 3.15Å; T9-V33 VanDerWaalsContact N-O 3.09Å; T9-N34 WeakPolarHBondContact O-CA 3.37Å; T9-F35 PolarHBondContact O-N 3.25Å
10P85.7Confident88.5Confident31 Ų3148.6 Ų48.620%0.20126%0.257CS..  trans-60.9146.9169.1-20.232.2000111.1G12 Y13 N34 F35 V55P10-G12 PolarHBondContact O-N 3.42Å; P10-Y13 VanDerWaalsContact O-CB 3.28Å; P10-Y13 WeakPolarHBondContact O-CB 3.22Å; P10-Y13 PolarHBondContact O-N 3.09Å; P10-N34 WeakPolarHBondContact CA-OD1 3.4Å; P10-F35 HydrophobicContact CG-CD1 4.38Å; P10-V55 HydrophobicContact CG-CG2 4.23Å
11E83Confident88.9Confident174 Ų17446.3 Ų46.381%0.81324%0.244SC*.THydrogen-bonded Turntrans-55.6135.2173.1-170.4176.1-176.600111.5Y13 N34E11-Y13 PolarHBondContact O-N 3.01Å; E11-N34 PolarHBondContact N-OD1 2.87Å
12G79.2Confident90.8Very high61 Ų6134.9 Ų34.963%0.62919%0.188SC*.THydrogen-bonded Turntrans708179.400000115.5P10 H14P10-G12 PolarHBondContact O-N 3.42Å; G12-H14 PolarHBondContact O-N 3.23Å
13Y85.7Confident92Very high57 Ų5730.8 Ų30.822%0.22416%0.163CC..  trans-72.298.9-178.1-173.1-132.6000112.3P10 E11 R15 S16 V55P10-Y13 VanDerWaalsContact O-CB 3.28Å; P10-Y13 WeakPolarHBondContact O-CB 3.22Å; P10-Y13 PolarHBondContact O-N 3.09Å; E11-Y13 PolarHBondContact O-N 3.01Å; Y13-R15 HydrophobicContact CD1-CB 4.2Å; Y13-R15 HydrophobicContact CE1-CB 3.72Å; Y13-R15 HydrophobicContact CE1-CG 4.18Å; Y13-R15 HydrophobicContact CE2-CB 4.43Å; Y13-R15 HydrophobicContact CE2-CG 4.13Å; Y13-R15 PolarHBondContact O-N 3.19Å; Y13-R15 VanDerWaalsContact OH-CD 3.23Å; Y13-R15 WeakPolarHBondContact OH-CD 3.45Å; Y13-R15 PolarHBondContact OH-NE 3.18Å; Y13-S16 WeakPolarHBondContact O-CB 3.41Å; Y13-S16 PolarHBondContact O-N 2.93Å; Y13-S16 PolarHBondContact O-OG 2.97Å; Y13-V55 HydrophobicContact CE1-CG2 4.4Å
14H85.7Confident92.4Very high25 Ų2532.9 Ų32.912%0.11617%0.17CC..G310 helixtrans-51.5-30.9-173.867.9-73.3000115.6G12 S16 W17 Y110G12-H14 PolarHBondContact O-N 3.23Å; H14-S16 VanDerWaalsContact C-N 3.3Å; H14-S16 PolarHBondContact O-N 3.35Å; H14-W17 HydrophobicContact CB-CD2 4.11Å; H14-W17 HydrophobicContact CB-CE3 3.78Å; H14-W17 HydrophobicContact CB-CH2 4.06Å; H14-W17 HydrophobicContact CB-CZ2 4.35Å; H14-W17 HydrophobicContact CB-CZ3 3.76Å; H14-W17 VanDerWaalsContact O-CB 3.3Å; H14-W17 WeakPolarHBondContact O-CB 3.42Å; H14-W17 PolarHBondContact O-N 3.26Å; H14-Y110 PolarHBondContact CE1-OH 3.14Å; H14-Y110 PolarHBondContact NE2-OH 3.5Å
15R86.5Confident92.5Very high88 Ų8833.9 Ų33.933%0.33217%0.171SC..G310 helixtrans-63.3-39.5177.4-60.3-162.9-171.3180-10.1111.4Y13 W17 R18 V69 L102Y13-R15 HydrophobicContact CD1-CB 4.2Å; Y13-R15 HydrophobicContact CE1-CB 3.72Å; Y13-R15 HydrophobicContact CE1-CG 4.18Å; Y13-R15 HydrophobicContact CE2-CB 4.43Å; Y13-R15 HydrophobicContact CE2-CG 4.13Å; Y13-R15 PolarHBondContact O-N 3.19Å; Y13-R15 VanDerWaalsContact OH-CD 3.23Å; Y13-R15 WeakPolarHBondContact OH-CD 3.45Å; Y13-R15 PolarHBondContact OH-NE 3.18Å; R15-W17 PolarHBondContact O-N 3.47Å; R15-R18 PolarHBondContact O-N 2.83Å; R15-V69 VanDerWaalsContact O-CG2 3.24Å; R15-V69 WeakPolarHBondContact O-CG2 3.33Å; R15-L102 HydrophobicContact CG-CD2 4.41Å
16S93.5Very high92.5Very high1 Ų135 Ų351%0.00718%0.178CC..G310 helixtrans-64.6-19.3179.874.80000113.7T9 Y13 H14 R18 A19 Q20T9-S16 VanDerWaalsContact OG1-CB 3.24Å; T9-S16 WeakPolarHBondContact OG1-CB 3.1Å; T9-S16 PolarHBondContact OG1-OG 3.43Å; Y13-S16 WeakPolarHBondContact O-CB 3.41Å; Y13-S16 PolarHBondContact O-N 2.93Å; Y13-S16 PolarHBondContact O-OG 2.97Å; H14-S16 VanDerWaalsContact C-N 3.3Å; H14-S16 PolarHBondContact O-N 3.35Å; S16-R18 PolarHBondContact O-N 2.92Å; S16-A19 PolarHBondContact O-N 3.16Å; S16-A19 VanDerWaalsContact O-N 3.14Å; S16-Q20 WeakPolarHBondContact O-CG 3.21Å; S16-Q20 PolarHBondContact O-N 3.5Å; S16-Q20 VanDerWaalsContact O-N 3.17Å; S16-Q20 PolarHBondContact OG-NE2 3.1Å
17W96.2Very high92.3Very high35 Ų3536.9 Ų36.913%0.13320%0.202CC..Hα-helixtrans-59.2-29176.7-62.8-20.8000112.6H14 R15 A19 Q20 I21 T161 H164 V198 V199H14-W17 HydrophobicContact CB-CD2 4.11Å; H14-W17 HydrophobicContact CB-CE3 3.78Å; H14-W17 HydrophobicContact CB-CH2 4.06Å; H14-W17 HydrophobicContact CB-CZ2 4.35Å; H14-W17 HydrophobicContact CB-CZ3 3.76Å; H14-W17 VanDerWaalsContact O-CB 3.3Å; H14-W17 WeakPolarHBondContact O-CB 3.42Å; H14-W17 PolarHBondContact O-N 3.26Å; R15-W17 PolarHBondContact O-N 3.47Å; W17-A19 VanDerWaalsContact C-N 3.31Å; W17-A19 PolarHBondContact O-N 2.67Å; W17-Q20 PolarHBondContact O-N 2.99Å; W17-I21 HydrophobicContact CB-CD1 4.17Å; W17-I21 VanDerWaalsContact O-CB 3.28Å; W17-I21 WeakPolarHBondContact O-CB 3.46Å; W17-I21 WeakPolarHBondContact O-CD1 3.35Å; W17-I21 WeakPolarHBondContact O-CG1 3.32Å; W17-I21 PolarHBondContact O-N 2.88Å; W17-T161 HydrophobicContact CB-CG2 3.96Å; W17-T161 HydrophobicContact CE3-CG2 4.4Å; W17-H164 AromaticContact CH2-CD2 3.81Å; W17-H164 AromaticContact CH2-NE2 3.81Å; W17-H164 AromaticContact CZ3-CD2 3.44Å; W17-H164 VanDerWaalsContact CZ3-CD2 3.44Å; W17-H164 WeakPolarHBondContact CZ3-CD2 3.32Å; W17-H164 AromaticContact CZ3-CG 3.94Å; W17-H164 AromaticContact CZ3-NE2 3.79Å; W17-V198 HydrophobicContact CB-CG1 3.95Å; W17-V198 HydrophobicContact CG-CG1 3.91Å; W17-V199 HydrophobicContact CB-CG2 4.48Å; W17-V199 HydrophobicContact CD2-CG2 3.86Å; W17-V199 HydrophobicContact CE3-CB 4.49Å; W17-V199 HydrophobicContact CE3-CG1 4.14Å; W17-V199 HydrophobicContact CE3-CG2 3.71Å; W17-V199 HydrophobicContact CG-CG2 4.24Å; W17-V199 HydrophobicContact CH2-CG1 3.86Å; W17-V199 HydrophobicContact CZ2-CG1 4.41Å; W17-V199 HydrophobicContact CZ3-CG1 3.72Å; W17-V199 HydrophobicContact CZ3-CG2 4.17Å
18R96.8Very high92.1Very high2 Ų237.6 Ų37.61%0.00821%0.207CC..Hα-helixtrans-57.3-46.4176.2-63.1-179.1-171.61715111.8R15 S16 A22 V69 N70 A73 D98 I157 T161R15-R18 PolarHBondContact O-N 2.83Å; S16-R18 PolarHBondContact O-N 2.92Å; R18-A22 WeakPolarHBondContact O-CB 3.28Å; R18-A22 PolarHBondContact O-N 3.3Å; R18-A22 VanDerWaalsContact O-N 3.1Å; R18-V69 HydrophobicContact CB-CG2 4.23Å; R18-N70 PolarHBondContact NH1-OD1 2.92Å; R18-A73 HydrophobicContact CB-CB 4.22Å; R18-D98 IonicContact CZ-OD1 2.71Å; R18-D98 IonicContact NH1-OD1 2.86Å; R18-D98 PolarHBondContact NH1-OD1 2.95Å; R18-D98 IonicContact NH1-OD2 3.04Å; R18-D98 PolarHBondContact NH1-OD2 2.98Å; R18-D98 IonicContact NH2-OD1 2.67Å; R18-D98 PolarHBondContact NH2-OD1 2.78Å; R18-I157 HydrophobicContact CB-CG2 4.37Å; R18-I157 HydrophobicContact CG-CG2 4.39Å; R18-T161 HydrophobicContact CG-CG2 4.07Å; R18-T161 VanDerWaalsContact CG-OG1 3.3Å; R18-T161 WeakPolarHBondContact CG-OG1 3.31Å; R18-T161 PolarHBondContact NE-OG1 3.42Å; R18-T161 VanDerWaalsContact NE-OG1 3.12Å
19A96.6Very high91.9Very high0 Ų038.8 Ų38.80%023%0.226CC..Hα-helixtrans-69.6-43.2178.200000111.8L7 S16 W17 A22 A23 I72 L76L7-A19 HydrophobicContact CD1-CB 4.36Å; L7-A19 HydrophobicContact CD2-CB 4.31Å; S16-A19 PolarHBondContact O-N 3.16Å; S16-A19 VanDerWaalsContact O-N 3.14Å; W17-A19 VanDerWaalsContact C-N 3.31Å; W17-A19 PolarHBondContact O-N 2.67Å; A19-A22 PolarHBondContact O-N 3.49Å; A19-A23 PolarHBondContact O-N 2.85Å; A19-I72 HydrophobicContact CB-CB 4.31Å; A19-I72 HydrophobicContact CB-CG2 3.58Å; A19-L76 HydrophobicContact CB-CD1 4.17Å
20Q96.6Very high92Very high26 Ų2640.5 Ų40.512%0.12124%0.235CC..Hα-helixtrans-64.7-43.4180-63.7178.642.400112L7 S16 W17 A23 Q24 L30 I32 V198L7-Q20 HydrophobicContact CD2-CG 3.8Å; S16-Q20 WeakPolarHBondContact O-CG 3.21Å; S16-Q20 PolarHBondContact O-N 3.5Å; S16-Q20 VanDerWaalsContact O-N 3.17Å; S16-Q20 PolarHBondContact OG-NE2 3.1Å; W17-Q20 PolarHBondContact O-N 2.99Å; Q20-A23 PolarHBondContact O-N 2.83Å; Q20-Q24 WeakPolarHBondContact O-CG 3.43Å; Q20-Q24 PolarHBondContact O-N 3.36Å; Q20-Q24 VanDerWaalsContact O-N 3.09Å; Q20-L30 HydrophobicContact CG-CD2 4.19Å; Q20-I32 HydrophobicContact CG-CD1 4.02Å; Q20-V198 HydrophobicContact CB-CB 4.46Å; Q20-V198 HydrophobicContact CB-CG1 3.65Å; Q20-V198 HydrophobicContact CB-CG2 3.9Å
21I97.2Very high92.5Very high0 Ų045.5 Ų45.50%025%0.253CS..Hα-helixtrans-64.6-45.2176.1-65.9164.1000109.8W17 A23 Q24 F25 I157 T161 V195 V198 V199W17-I21 HydrophobicContact CB-CD1 4.17Å; W17-I21 VanDerWaalsContact O-CB 3.28Å; W17-I21 WeakPolarHBondContact O-CB 3.46Å; W17-I21 WeakPolarHBondContact O-CD1 3.35Å; W17-I21 WeakPolarHBondContact O-CG1 3.32Å; W17-I21 PolarHBondContact O-N 2.88Å; I21-A23 VanDerWaalsContact C-N 3.26Å; I21-A23 PolarHBondContact O-N 3.4Å; I21-Q24 WeakPolarHBondContact O-CB 3.42Å; I21-Q24 PolarHBondContact O-N 3.1Å; I21-Q24 VanDerWaalsContact O-N 3.09Å; I21-F25 HydrophobicContact CG2-CD2 3.86Å; I21-F25 HydrophobicContact CG2-CE2 3.68Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 3.29Å; I21-F25 VanDerWaalsContact O-N 3.16Å; I21-I157 HydrophobicContact CB-CG2 4.12Å; I21-I157 HydrophobicContact CD1-CG2 4.04Å; I21-I157 HydrophobicContact CG2-CD1 3.72Å; I21-I157 HydrophobicContact CG2-CG1 3.96Å; I21-I157 HydrophobicContact CG2-CG2 4.11Å; I21-T161 HydrophobicContact CD1-CG2 4.21Å; I21-V195 HydrophobicContact CD1-CG1 4.31Å; I21-V195 HydrophobicContact CD1-CG2 4.28Å; I21-V195 HydrophobicContact CG2-CG2 3.91Å; I21-V198 HydrophobicContact CG1-CB 3.87Å; I21-V198 HydrophobicContact CG1-CG1 3.97Å; I21-V198 HydrophobicContact CG1-CG2 3.98Å; I21-V199 HydrophobicContact CD1-CG2 4.13Å
22A97Very high93.1Very high0 Ų041.5 Ų41.50%024%0.236CC..Hα-helixtrans-58-39.817700000112.3R18 A19 F25 S26 A73 L76 L81R18-A22 WeakPolarHBondContact O-CB 3.28Å; R18-A22 PolarHBondContact O-N 3.3Å; R18-A22 VanDerWaalsContact O-N 3.1Å; A19-A22 PolarHBondContact O-N 3.49Å; A22-F25 PolarHBondContact O-N 2.65Å; A22-S26 PolarHBondContact O-N 2.73Å; A22-S26 PolarHBondContact O-OG 3.5Å; A22-A73 HydrophobicContact CB-CB 4.17Å; A22-A73 WeakPolarHBondContact CB-O 3.42Å; A22-L76 HydrophobicContact CB-CB 4.5Å; A22-L81 HydrophobicContact CB-CD1 4.16Å
23A96.2Very high93.8Very high3 Ų340.7 Ų40.73%0.02522%0.219CC..Hα-helixtrans-65.9-35.2175.200000113.4A19 Q20 I21 S26 G27 C28 L30 L76A19-A23 PolarHBondContact O-N 2.85Å; Q20-A23 PolarHBondContact O-N 2.83Å; I21-A23 VanDerWaalsContact C-N 3.26Å; I21-A23 PolarHBondContact O-N 3.4Å; A23-S26 WeakPolarHBondContact CA-OG 3.43Å; A23-S26 PolarHBondContact O-N 3.21Å; A23-S26 PolarHBondContact O-OG 3.32Å; A23-S26 VanDerWaalsContact O-OG 3.1Å; A23-G27 PolarHBondContact O-N 3.02Å; A23-C28 HydrophobicContact CB-CB 4.28Å; A23-C28 PolarHBondContact O-N 3.26Å; A23-C28 VanDerWaalsContact O-N 3.11Å; A23-L30 HydrophobicContact CB-CB 4.05Å; A23-L30 HydrophobicContact CB-CD2 3.87Å; A23-L76 HydrophobicContact CB-CB 4.34Å; A23-L76 HydrophobicContact CB-CD1 4.31Å
24Q96Very high94Very high89 Ų8941.7 Ų41.742%0.41623%0.228SC..Hα-helixtrans-62-45.3173.8-70-68.2-5500111.4Q20 I21 S26 G27 E194 N197 V198Q20-Q24 WeakPolarHBondContact O-CG 3.43Å; Q20-Q24 PolarHBondContact O-N 3.36Å; Q20-Q24 VanDerWaalsContact O-N 3.09Å; I21-Q24 WeakPolarHBondContact O-CB 3.42Å; I21-Q24 PolarHBondContact O-N 3.1Å; I21-Q24 VanDerWaalsContact O-N 3.09Å; Q24-S26 VanDerWaalsContact C-N 3.31Å; Q24-S26 PolarHBondContact O-N 2.92Å; Q24-G27 PolarHBondContact O-N 3.43Å; Q24-E194 HydrophobicContact CB-CB 3.69Å; Q24-E194 HydrophobicContact CB-CG 3.92Å; Q24-N197 PolarHBondContact OE1-ND2 2.79Å; Q24-V198 HydrophobicContact CG-CG2 3.79Å
25F95.2Very high94.1Very high49 Ų4941 Ų4122%0.21523%0.225CC..Hα-helixtrans-65.3-31.1179.1-85-76.9000114I21 A22 L81 L152 I157 E194I21-F25 HydrophobicContact CG2-CD2 3.86Å; I21-F25 HydrophobicContact CG2-CE2 3.68Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 3.29Å; I21-F25 VanDerWaalsContact O-N 3.16Å; A22-F25 PolarHBondContact O-N 2.65Å; F25-L81 HydrophobicContact CB-CD1 3.69Å; F25-L81 HydrophobicContact CB-CG 4.34Å; F25-L81 HydrophobicContact CD2-CD1 4.11Å; F25-L81 HydrophobicContact CD2-CD2 4.41Å; F25-L81 HydrophobicContact CG-CD1 4.04Å; F25-L81 HydrophobicContact CG-CD2 4.35Å; F25-L152 HydrophobicContact CE1-CD2 4.46Å; F25-L152 HydrophobicContact CE2-CD2 3.87Å; F25-L152 HydrophobicContact CZ-CD1 4Å; F25-L152 HydrophobicContact CZ-CD2 3.79Å; F25-L152 HydrophobicContact CZ-CG 4.49Å; F25-I157 HydrophobicContact CD2-CD1 4.34Å; F25-I157 HydrophobicContact CE2-CD1 4.33Å; F25-E194 HydrophobicContact CD1-CG 3.95Å; F25-E194 HydrophobicContact CD2-CB 3.83Å; F25-E194 HydrophobicContact CD2-CG 4.01Å; F25-E194 HydrophobicContact CE1-CB 4.34Å; F25-E194 HydrophobicContact CE1-CG 3.95Å; F25-E194 HydrophobicContact CE2-CB 3.56Å; F25-E194 HydrophobicContact CE2-CG 4.01Å; F25-E194 HydrophobicContact CG-CB 4.32Å; F25-E194 HydrophobicContact CG-CG 3.97Å; F25-E194 HydrophobicContact CZ-CB 3.83Å; F25-E194 HydrophobicContact CZ-CG 3.96Å
26S94.6Very high94Very high26 Ų2640.7 Ų40.718%0.18223%0.229CC..Hα-helixtrans-89.1-14.8178.458.10000113.8A22 A23 Q24 C28 L76A22-S26 PolarHBondContact O-N 2.73Å; A22-S26 PolarHBondContact O-OG 3.5Å; A23-S26 WeakPolarHBondContact CA-OG 3.43Å; A23-S26 PolarHBondContact O-N 3.21Å; A23-S26 PolarHBondContact O-OG 3.32Å; A23-S26 VanDerWaalsContact O-OG 3.1Å; Q24-S26 VanDerWaalsContact C-N 3.31Å; Q24-S26 PolarHBondContact O-N 2.92Å; S26-C28 VanDerWaalsContact C-N 3.26Å; S26-C28 PolarHBondContact OG-N 2.89Å; S26-C28 PolarHBondContact OG-SG 2.93Å; S26-L76 WeakPolarHBondContact CB-O 3.03Å; S26-L76 PolarHBondContact OG-O 3.31Å
27G93.2Very high93Very high62 Ų6245 Ų4564%0.63926%0.257SS*.THydrogen-bonded Turntrans7120.4-171.900000113.4A23 Q24A23-G27 PolarHBondContact O-N 3.02Å; Q24-G27 PolarHBondContact O-N 3.43Å
28C90.8Very high92.1Very high15 Ų1544.8 Ų44.810%0.10127%0.265CS..  trans-67.8140.1178.6-74.40000111.8V3 A23 S26 L30 L76V3-C28 WeakPolarHBondContact O-CB 3.44Å; V3-C28 PolarHBondContact O-SG 3.41Å; A23-C28 HydrophobicContact CB-CB 4.28Å; A23-C28 PolarHBondContact O-N 3.26Å; A23-C28 VanDerWaalsContact O-N 3.11Å; S26-C28 VanDerWaalsContact C-N 3.26Å; S26-C28 PolarHBondContact OG-N 2.89Å; S26-C28 PolarHBondContact OG-SG 2.93Å; C28-L30 PolarHBondContact O-N 3.46Å; C28-L30 VanDerWaalsContact O-N 3.12Å; C28-L76 HydrophobicContact CB-CD2 4.49Å
29A91.8Very high91.5Very high68 Ų6849.1 Ų49.156%0.56229%0.292SS*.  trans-78.497.9174.300000109.7G5G5-A29 PolarHBondContact N-O 3.49Å
30L94.8Very high90.8Very high39 Ų3950.6 Ų50.620%0.20430%0.301CS..EExtended strand (participates in β ladder)trans-104.2112.2-179.1-169.367000110.8L7 Q20 A23 C28 F58 L76L7-L30 HydrophobicContact CB-CD1 3.94Å; L7-L30 HydrophobicContact CB-CD2 4.27Å; L7-L30 HydrophobicContact CB-CG 4.16Å; L7-L30 HydrophobicContact CD2-CD2 4.12Å; Q20-L30 HydrophobicContact CG-CD2 4.19Å; A23-L30 HydrophobicContact CB-CB 4.05Å; A23-L30 HydrophobicContact CB-CD2 3.87Å; C28-L30 PolarHBondContact O-N 3.46Å; C28-L30 VanDerWaalsContact O-N 3.12Å; L30-F58 HydrophobicContact CD1-CD2 3.98Å; L30-F58 HydrophobicContact CD1-CE2 3.6Å; L30-L76 HydrophobicContact CD1-CD1 3.8Å; L30-L76 HydrophobicContact CD1-CD2 4.27Å; L30-L76 HydrophobicContact CD2-CD1 4.16Å
31K96.1Very high90Very high136 Ų13651.4 Ų51.459%0.59131%0.306SS*.EExtended strand (participates in β ladder)trans-84.3123.3171.5-177.7-178.1177.1-175.70109.5G5 T6 L7 V33G5-K31 PolarHBondContact O-N 2.9Å; T6-K31 CarbonylContact C-O 3.5Å; T6-K31 VanDerWaalsContact CA-O 3.3Å; T6-K31 WeakPolarHBondContact CA-O 3.41Å; T6-K31 HydrophobicContact CG2-CB 4.46Å; T6-K31 HydrophobicContact CG2-CD 4.41Å; T6-K31 HydrophobicContact CG2-CG 4.41Å; L7-K31 PolarHBondContact N-O 2.88Å; K31-V33 HydrophobicContact CG-CG2 4.4Å
32I94.7Very high89.3Confident90 Ų9057.5 Ų57.546%0.46233%0.333SS..EExtended strand (participates in β ladder)trans-96.8127176.1-57.6173.7000109.1L7 T9 Q20L7-I32 WeakPolarHBondContact O-CA 3.37Å; T9-I32 HydrophobicContact CG2-CG2 4.03Å; Q20-I32 HydrophobicContact CG-CD1 4.02Å
33V94.2Very high88.9Confident44 Ų4461.7 Ų61.727%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-118.1129.7174.1175.30000108.7T6 L7 Y8 T9 K31 F35T6-V33 HydrophobicContact CG2-CB 4.14Å; T6-V33 HydrophobicContact CG2-CG2 3.49Å; T6-V33 VanDerWaalsContact CG2-CG2 3.49Å; L7-V33 PolarHBondContact O-N 3.14Å; Y8-V33 WeakPolarHBondContact CA-O 3.42Å; Y8-V33 HydrophobicContact CD1-CB 3.72Å; Y8-V33 HydrophobicContact CD1-CG1 3.71Å; Y8-V33 HydrophobicContact CE1-CB 3.89Å; Y8-V33 HydrophobicContact CE1-CG1 3.79Å; Y8-V33 HydrophobicContact CE1-CG2 4.29Å; Y8-V33 HydrophobicContact CG-CB 4.48Å; T9-V33 PolarHBondContact N-O 3.15Å; T9-V33 VanDerWaalsContact N-O 3.09Å; K31-V33 HydrophobicContact CG-CG2 4.4Å; V33-F35 PolarHBondContact O-N 3.29Å
34N91.3Very high88.5Confident78 Ų7869.4 Ų69.442%0.41739%0.388SS..EExtended strand (participates in β ladder)trans-66.8120.2180-168.425.7000110.1T9 P10 E11T9-N34 WeakPolarHBondContact O-CA 3.37Å; P10-N34 WeakPolarHBondContact CA-OD1 3.4Å; E11-N34 PolarHBondContact N-OD1 2.87Å
35F87.5Confident88.2Confident11 Ų1172.2 Ų72.25%0.04840%0.399CS..  trans-88.7123.2171.1-179.5-83.5000109.4T9 P10 V33 P37 T40 D41 F46 V55T9-F35 PolarHBondContact O-N 3.25Å; P10-F35 HydrophobicContact CG-CD1 4.38Å; V33-F35 PolarHBondContact O-N 3.29Å; F35-P37 HydrophobicContact CD1-CG 4.15Å; F35-P37 HydrophobicContact CE1-CB 4.25Å; F35-P37 HydrophobicContact CE1-CG 3.91Å; F35-T40 HydrophobicContact CD2-CG2 3.6Å; F35-T40 HydrophobicContact CE2-CG2 3.95Å; F35-T40 HydrophobicContact CG-CG2 4.43Å; F35-D41 HydrophobicContact CE2-CB 4.42Å; F35-D41 HydrophobicContact CZ-CB 4Å; F35-F46 HydrophobicContact CD2-CE1 4.18Å; F35-F46 HydrophobicContact CD2-CZ 4.02Å; F35-F46 AromaticContact CE2-CE1 3.7Å; F35-F46 HydrophobicContact CE2-CE1 3.7Å; F35-F46 HydrophobicContact CE2-CZ 4.02Å; F35-V55 HydrophobicContact CB-CG1 4.07Å; F35-V55 HydrophobicContact CD1-CG1 3.51Å; F35-V55 HydrophobicContact CD2-CG1 3.62Å; F35-V55 HydrophobicContact CE1-CG1 3.71Å; F35-V55 HydrophobicContact CE2-CG1 3.83Å; F35-V55 HydrophobicContact CG-CG1 3.45Å; F35-V55 VanDerWaalsContact CG-CG1 3.45Å; F35-V55 HydrophobicContact CZ-CG1 3.87Å
36I83.8Confident87.9Confident81 Ų8170.9 Ų70.942%0.41539%0.393SS..  trans-112.5109178.3-57.7174.3000107.7G38 V39 T40I36-G38 PolarHBondContact O-N 3.41Å; I36-V39 HydrophobicContact CB-CB 4.07Å; I36-V39 HydrophobicContact CB-CG2 4.43Å; I36-V39 HydrophobicContact CG2-CB 3.97Å; I36-V39 HydrophobicContact CG2-CG2 3.77Å; I36-V39 PolarHBondContact O-N 3.27Å; I36-T40 PolarHBondContact N-OG1 2.78Å; I36-T40 PolarHBondContact O-N 2.88Å; I36-T40 PolarHBondContact O-OG1 2.81Å
37P72.5Confident87.6Confident91 Ų9172.5 Ų72.559%0.59140%0.399SS*.THydrogen-bonded Turntrans-54.2136.9175.9-23.532.3000111.7F35 V39F35-P37 HydrophobicContact CD1-CG 4.15Å; F35-P37 HydrophobicContact CE1-CB 4.25Å; F35-P37 HydrophobicContact CE1-CG 3.91Å; P37-V39 VanDerWaalsContact C-N 3.25Å; P37-V39 PolarHBondContact O-N 2.94Å
38G76.4Confident87.5Confident30 Ų3076.7 Ų76.731%0.30940%0.402SS..THydrogen-bonded Turntrans75.52.1-175.300000115.7I36 D41 K42I36-G38 PolarHBondContact O-N 3.41Å; G38-D41 WeakPolarHBondContact CA-OD1 3.43Å; G38-D41 VanDerWaalsContact N-CG 3.27Å; G38-D41 PolarHBondContact N-OD1 2.8Å; G38-D41 PolarHBondContact N-OD2 3.18Å; G38-K42 WeakPolarHBondContact O-CD 3.39Å; G38-K42 WeakPolarHBondContact O-CE 3.37Å; G38-K42 PolarHBondContact O-NZ 2.99Å
39V84.1Confident87.5Confident93 Ų9380.3 Ų80.356%0.56442%0.416SS*.THydrogen-bonded Turntrans-124.6-55.6174.9179.70000110.5I36 P37 D41 K42I36-V39 HydrophobicContact CB-CB 4.07Å; I36-V39 HydrophobicContact CB-CG2 4.43Å; I36-V39 HydrophobicContact CG2-CB 3.97Å; I36-V39 HydrophobicContact CG2-CG2 3.77Å; I36-V39 PolarHBondContact O-N 3.27Å; P37-V39 VanDerWaalsContact C-N 3.25Å; P37-V39 PolarHBondContact O-N 2.94Å; V39-D41 PolarHBondContact N-OD1 2.81Å; V39-D41 VanDerWaalsContact N-OD1 3.11Å; V39-K42 PolarHBondContact O-N 3.21Å
40T82.3Confident87.4Confident31 Ų3177.1 Ų77.119%0.1939%0.39CS..G310 helixtrans-71.2-39.8-177.7-50.50000111.9F35 I36 K42 D43 F46F35-T40 HydrophobicContact CD2-CG2 3.6Å; F35-T40 HydrophobicContact CE2-CG2 3.95Å; F35-T40 HydrophobicContact CG-CG2 4.43Å; I36-T40 PolarHBondContact N-OG1 2.78Å; I36-T40 PolarHBondContact O-N 2.88Å; I36-T40 PolarHBondContact O-OG1 2.81Å; T40-K42 VanDerWaalsContact C-N 3.26Å; T40-K42 PolarHBondContact O-N 3.31Å; T40-D43 PolarHBondContact O-N 2.87Å; T40-F46 HydrophobicContact CG2-CD2 4.35Å; T40-F46 HydrophobicContact CG2-CE1 4.42Å; T40-F46 HydrophobicContact CG2-CE2 4.18Å; T40-F46 HydrophobicContact CG2-CZ 4.2Å
41D80Confident86.9Confident44 Ų4479.9 Ų79.924%0.23541%0.41CS..G310 helixtrans-73.2-8.9176.755.3-2000114.3F35 G38 V39 D43 L47F35-D41 HydrophobicContact CE2-CB 4.42Å; F35-D41 HydrophobicContact CZ-CB 4Å; G38-D41 WeakPolarHBondContact CA-OD1 3.43Å; G38-D41 VanDerWaalsContact N-CG 3.27Å; G38-D41 PolarHBondContact N-OD1 2.8Å; G38-D41 PolarHBondContact N-OD2 3.18Å; V39-D41 PolarHBondContact N-OD1 2.81Å; V39-D41 VanDerWaalsContact N-OD1 3.11Å; D41-D43 VanDerWaalsContact C-N 3.27Å; D41-L47 HydrophobicContact CB-CD2 4.31Å; D41-L47 WeakPolarHBondContact O-CD1 3.16Å; D41-L47 WeakPolarHBondContact O-CG 3.27Å
42K83.3Confident86.2Confident128 Ų12876.4 Ų76.456%0.55740%0.401SS*.G310 helixtrans-74.2-18.9171.5-74.8-177.9174152.60113G38 V39 T40 K44G38-K42 WeakPolarHBondContact O-CD 3.39Å; G38-K42 WeakPolarHBondContact O-CE 3.37Å; G38-K42 PolarHBondContact O-NZ 2.99Å; V39-K42 PolarHBondContact O-N 3.21Å; T40-K42 VanDerWaalsContact C-N 3.26Å; T40-K42 PolarHBondContact O-N 3.31Å; K42-K44 PolarHBondContact O-N 2.89Å
43D87.3Confident85.4Confident87 Ų8775 Ų7547%0.46540%0.403SS..  trans-75.4113.1176.6-174.8-2.7000110.3T40 D41 K45 F46 L47T40-D43 PolarHBondContact O-N 2.87Å; D41-D43 VanDerWaalsContact C-N 3.27Å; D43-K45 PolarHBondContact O-N 3.08Å; D43-K45 WeakPolarHBondContact OD1-CB 3.36Å; D43-K45 PolarHBondContact OD1-N 3.29Å; D43-F46 HydrophobicContact CB-CB 3.95Å; D43-F46 WeakPolarHBondContact O-CB 3.47Å; D43-F46 PolarHBondContact O-N 2.89Å; D43-L47 PolarHBondContact O-N 3.32Å; D43-L47 VanDerWaalsContact O-N 3.12Å
44K88.3Confident84.8Confident166 Ų16675.7 Ų75.772%0.72241%0.408SS*.Hα-helixtrans-57.5-37178.2-66.3-172.6179.1-174.80112.3K42 F46 L47 E48K42-K44 PolarHBondContact O-N 2.89Å; K44-F46 PolarHBondContact O-N 3.32Å; K44-L47 PolarHBondContact O-N 3.11Å; K44-E48 WeakPolarHBondContact O-CG 3.36Å; K44-E48 PolarHBondContact O-N 3.21Å
45K89.9Confident84.6Confident148 Ų14873.7 Ų73.764%0.64340%0.398SS*.Hα-helixtrans-66.3-31.1178.4-67.7-175.3177.2-177.40111.9D43 K49D43-K45 PolarHBondContact O-N 3.08Å; D43-K45 WeakPolarHBondContact OD1-CB 3.36Å; D43-K45 PolarHBondContact OD1-N 3.29Å; K45-K49 PolarHBondContact O-N 2.64Å
46F89.4Confident84.9Confident21 Ų2173.4 Ų73.49%0.09240%0.397CS..Hα-helixtrans-70.7-46.4175.4-174.9-89000110.9Y8 F35 T40 D43 K44 E48 K49 F50 V57Y8-F46 AromaticContact CD1-CE2 3.81Å; Y8-F46 HydrophobicContact CD1-CE2 3.81Å; Y8-F46 HydrophobicContact CD1-CZ 4.45Å; Y8-F46 HydrophobicContact CD2-CE2 4.11Å; Y8-F46 HydrophobicContact CE1-CE2 4.05Å; Y8-F46 HydrophobicContact CE2-CE2 4.36Å; Y8-F46 AromaticContact CG-CE2 3.83Å; Y8-F46 HydrophobicContact CG-CE2 3.83Å; Y8-F46 HydrophobicContact CG-CZ 4.21Å; F35-F46 HydrophobicContact CD2-CE1 4.18Å; F35-F46 HydrophobicContact CD2-CZ 4.02Å; F35-F46 AromaticContact CE2-CE1 3.7Å; F35-F46 HydrophobicContact CE2-CE1 3.7Å; F35-F46 HydrophobicContact CE2-CZ 4.02Å; T40-F46 HydrophobicContact CG2-CD2 4.35Å; T40-F46 HydrophobicContact CG2-CE1 4.42Å; T40-F46 HydrophobicContact CG2-CE2 4.18Å; T40-F46 HydrophobicContact CG2-CZ 4.2Å; D43-F46 HydrophobicContact CB-CB 3.95Å; D43-F46 WeakPolarHBondContact O-CB 3.47Å; D43-F46 PolarHBondContact O-N 2.89Å; K44-F46 PolarHBondContact O-N 3.32Å; F46-E48 VanDerWaalsContact C-N 3.3Å; F46-E48 PolarHBondContact O-N 3.27Å; F46-K49 PolarHBondContact O-N 3.03Å; F46-K49 VanDerWaalsContact O-N 3.14Å; F46-F50 HydrophobicContact CD1-CD2 4.25Å; F46-F50 HydrophobicContact CD2-CD2 4.16Å; F46-F50 HydrophobicContact CD2-CE2 4.35Å; F46-F50 HydrophobicContact CE1-CB 4.43Å; F46-F50 AromaticContact CE1-CD2 3.88Å; F46-F50 HydrophobicContact CE1-CD2 3.88Å; F46-F50 AromaticContact CE2-CD2 3.8Å; F46-F50 HydrophobicContact CE2-CD2 3.8Å; F46-F50 AromaticContact CE2-CE2 3.89Å; F46-F50 HydrophobicContact CE2-CE2 3.89Å; F46-F50 HydrophobicContact CG-CD2 4.38Å; F46-F50 AromaticContact CZ-CD2 3.66Å; F46-F50 HydrophobicContact CZ-CD2 3.66Å; F46-F50 HydrophobicContact CZ-CE2 4.11Å; F46-F50 PolarHBondContact O-N 3.16Å; F46-V57 HydrophobicContact CE1-CG2 4.4Å; F46-V57 HydrophobicContact CE2-CG2 4.34Å; F46-V57 HydrophobicContact CZ-CG2 3.61Å
47L87.5Confident85.4Confident60 Ų6069.5 Ų69.531%0.31438%0.377SS..Hα-helixtrans-66.2-29.2176.8-68-177.3000113.3D41 D43 K44 K49 F50 P51 A53D41-L47 HydrophobicContact CB-CD2 4.31Å; D41-L47 WeakPolarHBondContact O-CD1 3.16Å; D41-L47 WeakPolarHBondContact O-CG 3.27Å; D43-L47 PolarHBondContact O-N 3.32Å; D43-L47 VanDerWaalsContact O-N 3.12Å; K44-L47 PolarHBondContact O-N 3.11Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 3.29Å; L47-F50 CarbonylContact O-C 3.54Å; L47-F50 PolarHBondContact O-N 3.21Å; L47-P51 VanDerWaalsContact O-CA 3.25Å; L47-P51 WeakPolarHBondContact O-CA 3.45Å; L47-A53 HydrophobicContact CD2-CB 3.98Å
48E91.1Very high86.5Confident149 Ų14965.2 Ų65.270%0.69635%0.349SS*.Hα-helixtrans-61.5-37.7171.6-78.6169.6-171.400112K44 F46K44-E48 WeakPolarHBondContact O-CG 3.36Å; K44-E48 PolarHBondContact O-N 3.21Å; F46-E48 VanDerWaalsContact C-N 3.3Å; F46-E48 PolarHBondContact O-N 3.27Å
49K90.9Very high87.4Confident92 Ų9265.8 Ų65.840%0.434%0.344SS..Hα-helixtrans-77.3-33.5174.6-63.8-174.4-169.2-174.70112.7K45 F46 L47 P51 E59K45-K49 PolarHBondContact O-N 2.64Å; F46-K49 PolarHBondContact O-N 3.03Å; F46-K49 VanDerWaalsContact O-N 3.14Å; L47-K49 VanDerWaalsContact C-N 3.29Å; L47-K49 PolarHBondContact O-N 3.29Å; K49-P51 VanDerWaalsContact C-CD 3.49Å; K49-P51 WeakPolarHBondContact O-CD 3.37Å; K49-E59 IonicContact NZ-OE1 2.75Å; K49-E59 PolarHBondContact NZ-OE1 3.41Å; K49-E59 IonicContact NZ-OE2 3.21Å; K49-E59 PolarHBondContact NZ-OE2 3.21Å
50F90.9Very high88Confident1 Ų161.6 Ų61.60%0.00432%0.319CS..  trans-128.270.7-176.2-53.3-65.8000112.2F46 L47 A53 V57 E59 C65F46-F50 HydrophobicContact CD1-CD2 4.25Å; F46-F50 HydrophobicContact CD2-CD2 4.16Å; F46-F50 HydrophobicContact CD2-CE2 4.35Å; F46-F50 HydrophobicContact CE1-CB 4.43Å; F46-F50 AromaticContact CE1-CD2 3.88Å; F46-F50 HydrophobicContact CE1-CD2 3.88Å; F46-F50 AromaticContact CE2-CD2 3.8Å; F46-F50 HydrophobicContact CE2-CD2 3.8Å; F46-F50 AromaticContact CE2-CE2 3.89Å; F46-F50 HydrophobicContact CE2-CE2 3.89Å; F46-F50 HydrophobicContact CG-CD2 4.38Å; F46-F50 AromaticContact CZ-CD2 3.66Å; F46-F50 HydrophobicContact CZ-CD2 3.66Å; F46-F50 HydrophobicContact CZ-CE2 4.11Å; F46-F50 PolarHBondContact O-N 3.16Å; L47-F50 CarbonylContact O-C 3.54Å; L47-F50 PolarHBondContact O-N 3.21Å; F50-A53 PolarHBondContact O-N 3.37Å; F50-V57 HydrophobicContact CB-CG1 4.13Å; F50-V57 HydrophobicContact CD1-CB 3.58Å; F50-V57 HydrophobicContact CD1-CG1 3.85Å; F50-V57 HydrophobicContact CD1-CG2 4.03Å; F50-V57 HydrophobicContact CD2-CB 4.19Å; F50-V57 HydrophobicContact CD2-CG2 3.69Å; F50-V57 HydrophobicContact CE1-CB 3.66Å; F50-V57 HydrophobicContact CE1-CG1 4.42Å; F50-V57 HydrophobicContact CE1-CG2 4.08Å; F50-V57 HydrophobicContact CE2-CB 4.27Å; F50-V57 HydrophobicContact CE2-CG2 3.74Å; F50-V57 HydrophobicContact CG-CB 3.84Å; F50-V57 HydrophobicContact CG-CG1 3.95Å; F50-V57 HydrophobicContact CG-CG2 3.83Å; F50-V57 HydrophobicContact CZ-CB 4.01Å; F50-V57 HydrophobicContact CZ-CG2 3.93Å; F50-E59 HydrophobicContact CZ-CB 4.17Å; F50-C65 HydrophobicContact CD1-CB 4.36Å; F50-C65 HydrophobicContact CE1-CB 3.65Å; F50-C65 HydrophobicContact CZ-CB 4.18Å
51P83.5Confident88.6Confident97 Ų9766.1 Ų66.163%0.6334%0.342SS*.THydrogen-bonded Turntrans-56.4-35.2-175.3-25.133.3000116L47 K49 A53L47-P51 VanDerWaalsContact O-CA 3.25Å; L47-P51 WeakPolarHBondContact O-CA 3.45Å; K49-P51 VanDerWaalsContact C-CD 3.49Å; K49-P51 WeakPolarHBondContact O-CD 3.37Å; P51-A53 PolarHBondContact O-N 2.8Å; P51-A53 VanDerWaalsContact O-N 3.07Å
52P82Confident89.2Confident63 Ų6370 Ų7041%0.40936%0.362SS..THydrogen-bonded Turntrans-64.7-10.6-179.4-2636.9000115.4T54 F67P52-T54 HydrophobicContact CB-CG2 3.85Å; P52-T54 PolarHBondContact O-N 3.02Å; P52-T54 VanDerWaalsContact O-N 3.16Å; P52-F67 HydrophobicContact CG-CD1 4.31Å; P52-F67 HydrophobicContact CG-CD2 3.94Å; P52-F67 HydrophobicContact CG-CE2 4.16Å; P52-F67 HydrophobicContact CG-CG 4.02Å; P52-F67 HydrophobicContact CG-CZ 4.44Å
53A77.3Confident89.7Confident60 Ų6066 Ų6650%0.49636%0.358SS..  trans51.434.9-174.600000113.4L47 F50 P51L47-A53 HydrophobicContact CD2-CB 3.98Å; F50-A53 PolarHBondContact O-N 3.37Å; P51-A53 PolarHBondContact O-N 2.8Å; P51-A53 VanDerWaalsContact O-N 3.07Å
54T82.3Confident90Very high59 Ų5964.8 Ų64.836%0.36235%0.354SS..  trans-96.7169.1177.458.60000111.3P52 V57 F67P52-T54 HydrophobicContact CB-CG2 3.85Å; P52-T54 PolarHBondContact O-N 3.02Å; P52-T54 VanDerWaalsContact O-N 3.16Å; T54-V57 WeakPolarHBondContact O-CG1 2.93Å; T54-F67 PolarHBondContact OG1-O 3.36Å
55V86.5Confident90.3Very high36 Ų3659 Ų5922%0.21833%0.334CS..SBendtrans-141.1151.1169.3-73.30000110.8P10 Y13 F35P10-V55 HydrophobicContact CG-CG2 4.23Å; Y13-V55 HydrophobicContact CE1-CG2 4.4Å; F35-V55 HydrophobicContact CB-CG1 4.07Å; F35-V55 HydrophobicContact CD1-CG1 3.51Å; F35-V55 HydrophobicContact CD2-CG1 3.62Å; F35-V55 HydrophobicContact CE1-CG1 3.71Å; F35-V55 HydrophobicContact CE2-CG1 3.83Å; F35-V55 HydrophobicContact CG-CG1 3.45Å; F35-V55 VanDerWaalsContact CG-CG1 3.45Å; F35-V55 HydrophobicContact CZ-CG1 3.87Å
56P92.8Very high90.6Very high4 Ų453.8 Ų53.83%0.02631%0.312CS..SBendcis-75.3155.4-1.635.3-37.9000112.7L7 Y8 V69 I72L7-P56 HydrophobicContact CD1-CB 4Å; Y8-P56 WeakPolarHBondContact O-CA 3.47Å; P56-V69 HydrophobicContact CG-CB 3.75Å; P56-V69 HydrophobicContact CG-CG2 3.63Å; P56-I72 HydrophobicContact CG-CD1 4.47Å
57V95Very high90.8Very high0 Ų058.2 Ų58.20%033%0.332CS..EExtended strand (participates in β ladder)trans-126.5152171.5-58.90000110.3Y8 F46 F50 T54 L66 F67Y8-V57 HydrophobicContact CD2-CG2 4.11Å; Y8-V57 HydrophobicContact CG-CG2 4.27Å; Y8-V57 PolarHBondContact N-O 3.15Å; Y8-V57 PolarHBondContact O-N 3.4Å; Y8-V57 VanDerWaalsContact O-N 3.11Å; F46-V57 HydrophobicContact CE1-CG2 4.4Å; F46-V57 HydrophobicContact CE2-CG2 4.34Å; F46-V57 HydrophobicContact CZ-CG2 3.61Å; F50-V57 HydrophobicContact CB-CG1 4.13Å; F50-V57 HydrophobicContact CD1-CB 3.58Å; F50-V57 HydrophobicContact CD1-CG1 3.85Å; F50-V57 HydrophobicContact CD1-CG2 4.03Å; F50-V57 HydrophobicContact CD2-CB 4.19Å; F50-V57 HydrophobicContact CD2-CG2 3.69Å; F50-V57 HydrophobicContact CE1-CB 3.66Å; F50-V57 HydrophobicContact CE1-CG1 4.42Å; F50-V57 HydrophobicContact CE1-CG2 4.08Å; F50-V57 HydrophobicContact CE2-CB 4.27Å; F50-V57 HydrophobicContact CE2-CG2 3.74Å; F50-V57 HydrophobicContact CG-CB 3.84Å; F50-V57 HydrophobicContact CG-CG1 3.95Å; F50-V57 HydrophobicContact CG-CG2 3.83Å; F50-V57 HydrophobicContact CZ-CB 4.01Å; F50-V57 HydrophobicContact CZ-CG2 3.93Å; T54-V57 WeakPolarHBondContact O-CG1 2.93Å; V57-L66 CarbonylContact C-O 3.58Å; V57-L66 WeakPolarHBondContact CA-O 3.49Å; V57-F67 HydrophobicContact CG1-CB 4.03Å
58F96.2Very high91.1Very high0 Ų058.7 Ų58.70%034%0.335CS..EExtended strand (participates in β ladder)trans-130.9133.5-175.3176.5-110.8000110.7V3 T6 L7 L30 A60 C65 L66 I72 L76V3-F58 HydrophobicContact CG1-CE1 3.98Å; V3-F58 HydrophobicContact CG1-CZ 3.99Å; T6-F58 WeakPolarHBondContact O-CA 3.32Å; T6-F58 WeakPolarHBondContact O-CD2 3.49Å; L7-F58 HydrophobicContact CD1-CB 4.23Å; L30-F58 HydrophobicContact CD1-CD2 3.98Å; L30-F58 HydrophobicContact CD1-CE2 3.6Å; F58-A60 HydrophobicContact CE1-CB 3.68Å; F58-A60 HydrophobicContact CZ-CB 4.07Å; F58-C65 CarbonylContact O-C 3.52Å; F58-C65 WeakPolarHBondContact O-CA 3.48Å; F58-L66 HydrophobicContact CB-CB 4.46Å; F58-L66 HydrophobicContact CD1-CD1 4.3Å; F58-L66 PolarHBondContact N-O 3.3Å; F58-L66 PolarHBondContact O-N 2.7Å; F58-I72 HydrophobicContact CB-CB 4.35Å; F58-I72 HydrophobicContact CB-CD1 3.74Å; F58-I72 HydrophobicContact CB-CG1 3.66Å; F58-I72 HydrophobicContact CB-CG2 3.73Å; F58-I72 HydrophobicContact CD1-CG2 4.47Å; F58-I72 HydrophobicContact CG-CG2 4Å; F58-L76 HydrophobicContact CE1-CD2 4.23Å; F58-L76 HydrophobicContact CE2-CD1 4.49Å; F58-L76 HydrophobicContact CE2-CD2 4Å; F58-L76 HydrophobicContact CZ-CD2 3.69Å
59E95.9Very high91.2Very high43 Ų4352.3 Ų52.320%0.20131%0.306CS..EExtended strand (participates in β ladder)trans-115.1113.1169-177.7171.5-173.200108.3G5 T6 Y8 K49 F50G5-E59 CarbonylContact C-O 3.52Å; G5-E59 VanDerWaalsContact CA-O 3.26Å; G5-E59 WeakPolarHBondContact CA-O 3.38Å; T6-E59 PolarHBondContact N-O 3.49Å; T6-E59 PolarHBondContact O-N 2.97Å; Y8-E59 HydrophobicContact CE2-CB 4.37Å; K49-E59 IonicContact NZ-OE1 2.75Å; K49-E59 PolarHBondContact NZ-OE1 3.41Å; K49-E59 IonicContact NZ-OE2 3.21Å; K49-E59 PolarHBondContact NZ-OE2 3.21Å; F50-E59 HydrophobicContact CZ-CB 4.17Å
60A95.7Very high91.5Very high4 Ų449.1 Ų49.13%0.03329%0.293CS..EExtended strand (participates in β ladder)trans-72.1156.5172.600000111V3 S4 F58 D62 G63 T64V3-A60 HydrophobicContact CG1-CB 4.18Å; S4-A60 WeakPolarHBondContact O-CA 3.31Å; F58-A60 HydrophobicContact CE1-CB 3.68Å; F58-A60 HydrophobicContact CZ-CB 4.07Å; A60-D62 VanDerWaalsContact CB-OD1 3.31Å; A60-D62 WeakPolarHBondContact CB-OD1 3.34Å; A60-D62 PolarHBondContact O-N 2.91Å; A60-D62 VanDerWaalsContact O-N 3.14Å; A60-G63 PolarHBondContact O-N 3.41Å; A60-T64 PolarHBondContact N-O 3.45Å
61D94.3Very high91.7Very high127 Ų12750.9 Ų50.968%0.67931%0.308SS*.THydrogen-bonded Turntrans-63.1-20.1178.5-67.4-22.8000113.4S4 G63S4-D61 WeakPolarHBondContact CB-OD2 3.49Å; S4-D61 PolarHBondContact O-N 3.31Å; D61-G63 VanDerWaalsContact C-N 3.29Å
62D93.2Very high92.4Very high124 Ų12446.3 Ų46.366%0.66328%0.278SS*.THydrogen-bonded Turntrans-84.40.9173.869.38.8000114A60 T64A60-D62 VanDerWaalsContact CB-OD1 3.31Å; A60-D62 WeakPolarHBondContact CB-OD1 3.34Å; A60-D62 PolarHBondContact O-N 2.91Å; A60-D62 VanDerWaalsContact O-N 3.14Å; D62-T64 WeakPolarHBondContact OD1-CB 3.35Å; D62-T64 PolarHBondContact OD1-N 3.26Å; D62-T64 PolarHBondContact OD1-OG1 2.94Å
63G92.9Very high93.1Very high44 Ų4443.3 Ų43.345%0.45426%0.259SS..SBendtrans90.5-2.4-178.500000114.8A60 D61 C65A60-G63 PolarHBondContact O-N 3.41Å; D61-G63 VanDerWaalsContact C-N 3.29Å; G63-C65 PolarHBondContact O-N 2.96Å; G63-C65 PolarHBondContact O-SG 3.31Å
64T94.3Very high93.9Very high63 Ų6343.3 Ų43.339%0.38725%0.254SS..  trans-63.2123.3176-56.90000110.6A60 D62 L66A60-T64 PolarHBondContact N-O 3.45Å; D62-T64 WeakPolarHBondContact OD1-CB 3.35Å; D62-T64 PolarHBondContact OD1-N 3.26Å; D62-T64 PolarHBondContact OD1-OG1 2.94Å; T64-L66 HydrophobicContact CG2-CD2 4.42Å; T64-L66 HydrophobicContact CG2-CG 4.39Å
65C95.3Very high94.5Very high44 Ų4442.7 Ų42.730%0.29725%0.252SS..EExtended strand (participates in β ladder)trans-108.8127.9179.9-67.60000110.9F50 F58 G63F50-C65 HydrophobicContact CD1-CB 4.36Å; F50-C65 HydrophobicContact CE1-CB 3.65Å; F50-C65 HydrophobicContact CZ-CB 4.18Å; F58-C65 CarbonylContact O-C 3.52Å; F58-C65 WeakPolarHBondContact O-CA 3.48Å; G63-C65 PolarHBondContact O-N 2.96Å; G63-C65 PolarHBondContact O-SG 3.31Å
66L96.1Very high94.9Very high38 Ų3841 Ų4120%0.19924%0.242CC..EExtended strand (participates in β ladder)trans-126.7138.4179-61.7176.9000110.5V57 F58 T64 I72 C75V57-L66 CarbonylContact C-O 3.58Å; V57-L66 WeakPolarHBondContact CA-O 3.49Å; F58-L66 HydrophobicContact CB-CB 4.46Å; F58-L66 HydrophobicContact CD1-CD1 4.3Å; F58-L66 PolarHBondContact N-O 3.3Å; F58-L66 PolarHBondContact O-N 2.7Å; T64-L66 HydrophobicContact CG2-CD2 4.42Å; T64-L66 HydrophobicContact CG2-CG 4.39Å; L66-I72 HydrophobicContact CB-CD1 4.46Å; L66-I72 HydrophobicContact CB-CG1 3.63Å; L66-I72 HydrophobicContact CD1-CG1 4.34Å; L66-C75 HydrophobicContact CD1-CB 3.74Å
67F93.3Very high95Very high115 Ų11541.1 Ų41.150%0.50424%0.244SC..  trans-121.35.2-176.762-98.9000114.6P52 T54 V57P52-F67 HydrophobicContact CG-CD1 4.31Å; P52-F67 HydrophobicContact CG-CD2 3.94Å; P52-F67 HydrophobicContact CG-CE2 4.16Å; P52-F67 HydrophobicContact CG-CG 4.02Å; P52-F67 HydrophobicContact CG-CZ 4.44Å; T54-F67 PolarHBondContact OG1-O 3.36Å; V57-F67 HydrophobicContact CG1-CB 4.03Å
68D92.9Very high95Very high70 Ų7043 Ų4337%0.37426%0.255SS..  trans-114.7126.8177.4175.2-96.9000110.3N70 A71 I72D68-N70 VanDerWaalsContact C-N 3.26Å; D68-N70 PolarHBondContact O-N 2.93Å; D68-N70 WeakPolarHBondContact OD1-CA 3.38Å; D68-N70 WeakPolarHBondContact OD1-CB 3.4Å; D68-N70 PolarHBondContact OD1-N 2.92Å; D68-A71 HydrophobicContact CB-CB 3.98Å; D68-A71 WeakPolarHBondContact O-CB 3.49Å; D68-A71 PolarHBondContact O-N 2.94Å; D68-A71 VanDerWaalsContact O-N 3.17Å; D68-A71 PolarHBondContact OD1-N 3.24Å; D68-I72 WeakPolarHBondContact O-CG1 3.36Å; D68-I72 PolarHBondContact O-N 2.86Å
69V94.9Very high94.9Very high14 Ų1448.2 Ų48.29%0.08528%0.283CS..Hα-helixtrans-62.8-31.3-173.668.10000113.5R15 R18 P56 A73R15-V69 VanDerWaalsContact O-CG2 3.24Å; R15-V69 WeakPolarHBondContact O-CG2 3.33Å; R18-V69 HydrophobicContact CB-CG2 4.23Å; P56-V69 HydrophobicContact CG-CB 3.75Å; P56-V69 HydrophobicContact CG-CG2 3.63Å; V69-A73 WeakPolarHBondContact O-CB 3.26Å; V69-A73 PolarHBondContact O-N 3.15Å
70N96.3Very high94.9Very high25 Ų2548.9 Ų48.913%0.13429%0.286CS..Hα-helixtrans-77-38.5178.3-59.6-42.5000110.7R18 D68 I72 A73 C74 V94 D98R18-N70 PolarHBondContact NH1-OD1 2.92Å; D68-N70 VanDerWaalsContact C-N 3.26Å; D68-N70 PolarHBondContact O-N 2.93Å; D68-N70 WeakPolarHBondContact OD1-CA 3.38Å; D68-N70 WeakPolarHBondContact OD1-CB 3.4Å; D68-N70 PolarHBondContact OD1-N 2.92Å; N70-I72 VanDerWaalsContact C-N 3.34Å; N70-A73 PolarHBondContact O-N 3.49Å; N70-C74 WeakPolarHBondContact O-CB 3.29Å; N70-C74 PolarHBondContact O-N 2.94Å; N70-V94 HydrophobicContact CB-CG1 3.94Å; N70-V94 VanDerWaalsContact CG-CG1 3.42Å; N70-V94 WeakPolarHBondContact ND2-CG1 3.48Å; N70-D98 PolarHBondContact ND2-OD2 2.84Å
71A95.9Very high95Very high39 Ų3948.7 Ų48.732%0.32229%0.285SS..Hα-helixtrans-60.8-43.8171.400000111.3D68 C74 C75D68-A71 HydrophobicContact CB-CB 3.98Å; D68-A71 WeakPolarHBondContact O-CB 3.49Å; D68-A71 PolarHBondContact O-N 2.94Å; D68-A71 VanDerWaalsContact O-N 3.17Å; D68-A71 PolarHBondContact OD1-N 3.24Å; A71-C74 PolarHBondContact O-N 2.88Å; A71-C75 VanDerWaalsContact O-CB 3.3Å; A71-C75 WeakPolarHBondContact O-CB 3.38Å; A71-C75 PolarHBondContact O-N 2.91Å
72I96.9Very high95.1Very high0 Ų046.9 Ų46.90%027%0.269CS..Hα-helixtrans-61.3-50175.8-62.6165.8000110.4L7 A19 P56 F58 L66 D68 N70 C74 C75 L76L7-I72 HydrophobicContact CD1-CD1 4.31Å; L7-I72 HydrophobicContact CD1-CG2 4.01Å; A19-I72 HydrophobicContact CB-CB 4.31Å; A19-I72 HydrophobicContact CB-CG2 3.58Å; P56-I72 HydrophobicContact CG-CD1 4.47Å; F58-I72 HydrophobicContact CB-CB 4.35Å; F58-I72 HydrophobicContact CB-CD1 3.74Å; F58-I72 HydrophobicContact CB-CG1 3.66Å; F58-I72 HydrophobicContact CB-CG2 3.73Å; F58-I72 HydrophobicContact CD1-CG2 4.47Å; F58-I72 HydrophobicContact CG-CG2 4Å; L66-I72 HydrophobicContact CB-CD1 4.46Å; L66-I72 HydrophobicContact CB-CG1 3.63Å; L66-I72 HydrophobicContact CD1-CG1 4.34Å; D68-I72 WeakPolarHBondContact O-CG1 3.36Å; D68-I72 PolarHBondContact O-N 2.86Å; N70-I72 VanDerWaalsContact C-N 3.34Å; I72-C74 VanDerWaalsContact C-N 3.32Å; I72-C74 PolarHBondContact O-N 2.82Å; I72-C75 WeakPolarHBondContact O-CB 3.25Å; I72-C75 PolarHBondContact O-N 2.79Å; I72-L76 HydrophobicContact CG2-CD1 3.69Å; I72-L76 HydrophobicContact CG2-CG 4.35Å; I72-L76 WeakPolarHBondContact O-CB 3.5Å; I72-L76 WeakPolarHBondContact O-CG 3.17Å; I72-L76 PolarHBondContact O-N 3.16Å
73A96.7Very high95.2Very high0 Ų041.8 Ų41.80%025%0.245CC..Hα-helixtrans-62.6-38178.800000112.6R18 A22 V69 N70 G77R18-A73 HydrophobicContact CB-CB 4.22Å; A22-A73 HydrophobicContact CB-CB 4.17Å; A22-A73 WeakPolarHBondContact CB-O 3.42Å; V69-A73 WeakPolarHBondContact O-CB 3.26Å; V69-A73 PolarHBondContact O-N 3.15Å; N70-A73 PolarHBondContact O-N 3.49Å; A73-G77 WeakPolarHBondContact O-CA 3.36Å; A73-G77 PolarHBondContact O-N 3.01Å
74C94.9Very high95.2Very high60 Ų6042 Ų4241%0.40525%0.248SC..Hα-helixtrans-63.8-42.1175.4-1720000112N70 A71 I72 R82N70-C74 WeakPolarHBondContact O-CB 3.29Å; N70-C74 PolarHBondContact O-N 2.94Å; A71-C74 PolarHBondContact O-N 2.88Å; I72-C74 VanDerWaalsContact C-N 3.32Å; I72-C74 PolarHBondContact O-N 2.82Å; C74-R82 PolarHBondContact O-NE 2.94Å; C74-R82 VanDerWaalsContact SG-CD 3.58Å
75C94.6Very high95.2Very high46 Ų4648.7 Ų48.731%0.31127%0.271SS..Hα-helixtrans-66.3-44.3177.3-175.50000112.2L66 A71 I72L66-C75 HydrophobicContact CD1-CB 3.74Å; A71-C75 VanDerWaalsContact O-CB 3.3Å; A71-C75 WeakPolarHBondContact O-CB 3.38Å; A71-C75 PolarHBondContact O-N 2.91Å; I72-C75 WeakPolarHBondContact O-CB 3.25Å; I72-C75 PolarHBondContact O-N 2.79Å
76L95.6Very high95.2Very high1 Ų149.7 Ų49.71%0.00527%0.274CS..Hα-helixtrans-77.6-19.9-180-66.1174000113.2V3 A19 A22 A23 S26 C28 L30 F58 I72V3-L76 HydrophobicContact CB-CD2 4.46Å; V3-L76 HydrophobicContact CG1-CD2 4.34Å; A19-L76 HydrophobicContact CB-CD1 4.17Å; A22-L76 HydrophobicContact CB-CB 4.5Å; A23-L76 HydrophobicContact CB-CB 4.34Å; A23-L76 HydrophobicContact CB-CD1 4.31Å; S26-L76 WeakPolarHBondContact CB-O 3.03Å; S26-L76 PolarHBondContact OG-O 3.31Å; C28-L76 HydrophobicContact CB-CD2 4.49Å; L30-L76 HydrophobicContact CD1-CD1 3.8Å; L30-L76 HydrophobicContact CD1-CD2 4.27Å; L30-L76 HydrophobicContact CD2-CD1 4.16Å; F58-L76 HydrophobicContact CE1-CD2 4.23Å; F58-L76 HydrophobicContact CE2-CD1 4.49Å; F58-L76 HydrophobicContact CE2-CD2 4Å; F58-L76 HydrophobicContact CZ-CD2 3.69Å; I72-L76 HydrophobicContact CG2-CD1 3.69Å; I72-L76 HydrophobicContact CG2-CG 4.35Å; I72-L76 WeakPolarHBondContact O-CB 3.5Å; I72-L76 WeakPolarHBondContact O-CG 3.17Å; I72-L76 PolarHBondContact O-N 3.16Å
77G94.7Very high95.2Very high6 Ų651.2 Ų51.26%0.06229%0.285CS..SBendtrans-83.8162.8-175.400000115.2A73 R82A73-G77 WeakPolarHBondContact O-CA 3.36Å; A73-G77 PolarHBondContact O-N 3.01Å; G77-R82 PolarHBondContact O-NH2 3.22Å
78T94.9Very high95.4Very high40 Ų4050.5 Ų50.525%0.24528%0.283CS..  trans-77.4164175.966.80000112.3Q80 L81 R82T78-Q80 PolarHBondContact O-N 3.2Å; T78-Q80 VanDerWaalsContact O-N 3.16Å; T78-Q80 PolarHBondContact OG1-N 2.98Å; T78-L81 PolarHBondContact O-N 3.43Å; T78-L81 VanDerWaalsContact O-N 3.1Å; T78-L81 PolarHBondContact OG1-N 3.08Å; T78-R82 PolarHBondContact O-N 3.35Å; T78-R82 VanDerWaalsContact O-N 3.09Å
79D94.3Very high95.7Very high110 Ų11051.6 Ų51.659%0.58828%0.284SS*.THydrogen-bonded Turntrans-55.3-31.6171.7-70.5-10.6000112.1R82 G83 G84D79-R82 PolarHBondContact O-N 3.29Å; D79-R82 IonicContact OD1-CZ 2.8Å; D79-R82 IonicContact OD1-NH1 2.62Å; D79-R82 PolarHBondContact OD1-NH1 3.25Å; D79-R82 IonicContact OD1-NH2 2.54Å; D79-R82 PolarHBondContact OD1-NH2 2.95Å; D79-G83 PolarHBondContact O-N 2.81Å; D79-G84 PolarHBondContact O-N 2.81Å
80Q95.4Very high95.9Very high56 Ų5651.3 Ų51.326%0.26228%0.282SS..THydrogen-bonded Turntrans-69.2-43.1177.8-173.9-89.4-79.600111.6T78 R82 G83 L152T78-Q80 PolarHBondContact O-N 3.2Å; T78-Q80 VanDerWaalsContact O-N 3.16Å; T78-Q80 PolarHBondContact OG1-N 2.98Å; Q80-R82 VanDerWaalsContact C-N 3.28Å; Q80-R82 PolarHBondContact O-N 3.45Å; Q80-G83 PolarHBondContact O-N 3.27Å; Q80-L152 PolarHBondContact NE2-O 2.94Å
81L96.9Very high95.9Very high1 Ų153.2 Ų53.21%0.00530%0.295CS..THydrogen-bonded Turntrans-64.7-34.3174.5-72.6-172.6000112.2A22 F25 T78 G83 L152 Q154 I157A22-L81 HydrophobicContact CB-CD1 4.16Å; F25-L81 HydrophobicContact CB-CD1 3.69Å; F25-L81 HydrophobicContact CB-CG 4.34Å; F25-L81 HydrophobicContact CD2-CD1 4.11Å; F25-L81 HydrophobicContact CD2-CD2 4.41Å; F25-L81 HydrophobicContact CG-CD1 4.04Å; F25-L81 HydrophobicContact CG-CD2 4.35Å; T78-L81 PolarHBondContact O-N 3.43Å; T78-L81 VanDerWaalsContact O-N 3.1Å; T78-L81 PolarHBondContact OG1-N 3.08Å; L81-G83 PolarHBondContact O-N 3.29Å; L81-L152 HydrophobicContact CD2-CD2 3.66Å; L81-L152 WeakPolarHBondContact CD2-O 3.43Å; L81-Q154 WeakPolarHBondContact O-CB 3.33Å; L81-Q154 PolarHBondContact O-N 3.41Å; L81-I157 HydrophobicContact CD1-CD1 4.06Å; L81-I157 HydrophobicContact CD2-CD1 3.97Å
82R96.7Very high96Very high89 Ų8956.6 Ų56.634%0.33630%0.304SS..THydrogen-bonded Turntrans-70.4-7.2173-69.2-175.1-103116.93.8113.4C74 G77 T78 D79 Q80 G84 T87C74-R82 PolarHBondContact O-NE 2.94Å; C74-R82 VanDerWaalsContact SG-CD 3.58Å; G77-R82 PolarHBondContact O-NH2 3.22Å; T78-R82 PolarHBondContact O-N 3.35Å; T78-R82 VanDerWaalsContact O-N 3.09Å; D79-R82 PolarHBondContact O-N 3.29Å; D79-R82 IonicContact OD1-CZ 2.8Å; D79-R82 IonicContact OD1-NH1 2.62Å; D79-R82 PolarHBondContact OD1-NH1 3.25Å; D79-R82 IonicContact OD1-NH2 2.54Å; D79-R82 PolarHBondContact OD1-NH2 2.95Å; Q80-R82 VanDerWaalsContact C-N 3.28Å; Q80-R82 PolarHBondContact O-N 3.45Å; R82-G84 VanDerWaalsContact C-N 3.34Å; R82-G84 PolarHBondContact O-N 2.94Å; R82-T87 VanDerWaalsContact O-CA 3.31Å; R82-T87 WeakPolarHBondContact O-CA 3.48Å; R82-T87 WeakPolarHBondContact O-CB 3.45Å; R82-T87 PolarHBondContact O-OG1 3.35Å
83G95.3Very high96.1Very high17 Ų1757.6 Ų57.618%0.17531%0.308CS..THydrogen-bonded Turntrans82.13.3174.500000115.1D79 Q80 L81 K85 N86D79-G83 PolarHBondContact O-N 2.81Å; Q80-G83 PolarHBondContact O-N 3.27Å; L81-G83 PolarHBondContact O-N 3.29Å; G83-K85 PolarHBondContact O-N 3.38Å; G83-K85 VanDerWaalsContact O-N 3.14Å; G83-N86 WeakPolarHBondContact O-CA 3.41Å; G83-N86 WeakPolarHBondContact O-CB 3.46Å; G83-N86 PolarHBondContact O-N 3.12Å
84G92.8Very high96.2Very high49 Ų4958.2 Ų58.251%0.50531%0.312SS..G310 helixtrans50.2-118.4-177.400000112.5D79 R82 N86 T87D79-G84 PolarHBondContact O-N 2.81Å; R82-G84 VanDerWaalsContact C-N 3.34Å; R82-G84 PolarHBondContact O-N 2.94Å; G84-N86 PolarHBondContact O-N 3.02Å; G84-T87 PolarHBondContact O-N 3.09Å
85K94.3Very high96.3Very high202 Ų20259.3 Ų59.388%0.87831%0.314SS*.G310 helixtrans-63.4-20.2177.9-63.4-176.6-179.6-179.90113.8G83 H88G83-K85 PolarHBondContact O-N 3.38Å; G83-K85 VanDerWaalsContact O-N 3.14Å; K85-H88 PolarHBondContact O-CE1 3.31Å
86N96.1Very high96.5Very high65 Ų6560.3 Ų60.335%0.34831%0.311SS..G310 helixtrans-98.119-178.3-64.6-24000113G83 G84 H88 F89 V90 V148G83-N86 WeakPolarHBondContact O-CA 3.41Å; G83-N86 WeakPolarHBondContact O-CB 3.46Å; G83-N86 PolarHBondContact O-N 3.12Å; G84-N86 PolarHBondContact O-N 3.02Å; N86-H88 PolarHBondContact O-N 2.94Å; N86-F89 HydrophobicContact CB-CD2 4.11Å; N86-F89 PolarHBondContact O-N 2.88Å; N86-V90 PolarHBondContact O-N 2.81Å; N86-V148 HydrophobicContact CB-CG1 3.74Å
87T96.7Very high96.6Very high70 Ų7060.2 Ų60.243%0.42931%0.311SS..Hα-helixtrans-54.4-28.4-178-171.40000114.3R82 G84 V90 T91R82-T87 VanDerWaalsContact O-CA 3.31Å; R82-T87 WeakPolarHBondContact O-CA 3.48Å; R82-T87 WeakPolarHBondContact O-CB 3.45Å; R82-T87 PolarHBondContact O-OG1 3.35Å; G84-T87 PolarHBondContact O-N 3.09Å; T87-V90 PolarHBondContact O-N 3.24Å; T87-T91 WeakPolarHBondContact O-CB 3.4Å; T87-T91 PolarHBondContact O-N 3.45Å; T87-T91 PolarHBondContact O-OG1 3.4Å
88H97.7Very high96.6Very high101 Ų10161.9 Ų61.947%0.46832%0.318SS..Hα-helixtrans-69.5-38.8177.553.6-84.2000111.9K85 N86 T91 Q92K85-H88 PolarHBondContact O-CE1 3.31Å; N86-H88 PolarHBondContact O-N 2.94Å; H88-T91 PolarHBondContact O-N 3.38Å; H88-Q92 WeakPolarHBondContact O-CB 3.44Å; H88-Q92 PolarHBondContact O-N 3.02Å
89F98.1Very high96.6Very high93 Ų9365.5 Ų65.541%0.40834%0.336SS..Hα-helixtrans-68.5-35.4173.5-65.4-55.9000112N86 Q92 W93 V148N86-F89 HydrophobicContact CB-CD2 4.11Å; N86-F89 PolarHBondContact O-N 2.88Å; F89-Q92 WeakPolarHBondContact O-CB 3.27Å; F89-Q92 PolarHBondContact O-N 3.49Å; F89-W93 PolarHBondContact O-N 2.88Å; F89-V148 HydrophobicContact CB-CG1 3.97Å; F89-V148 HydrophobicContact CB-CG2 3.93Å
90V98.3Very high96.5Very high7 Ų763.3 Ų63.34%0.04233%0.325CS..Hα-helixtrans-60.8-49.8172.2176.70000110.1N86 T87 Q92 W93 V94 V148 Q154N86-V90 PolarHBondContact O-N 2.81Å; T87-V90 PolarHBondContact O-N 3.24Å; V90-Q92 VanDerWaalsContact C-N 3.31Å; V90-Q92 PolarHBondContact O-N 2.94Å; V90-W93 PolarHBondContact O-N 3.39Å; V90-V94 HydrophobicContact CG1-CG2 4.35Å; V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 3.11Å; V90-V148 HydrophobicContact CG2-CB 4.18Å; V90-V148 HydrophobicContact CG2-CG1 3.95Å; V90-V148 HydrophobicContact CG2-CG2 4.12Å; V90-Q154 HydrophobicContact CG1-CB 3.78Å
91T97.9Very high96.6Very high66 Ų6660.7 Ų60.741%0.40531%0.312SS..Hα-helixtrans-60.1-40.3178.4-54.90000111.9T87 H88 W93 V94 N95T87-T91 WeakPolarHBondContact O-CB 3.4Å; T87-T91 PolarHBondContact O-N 3.45Å; T87-T91 PolarHBondContact O-OG1 3.4Å; H88-T91 PolarHBondContact O-N 3.38Å; T91-W93 PolarHBondContact O-N 3.27Å; T91-V94 PolarHBondContact O-N 3.04Å; T91-N95 WeakPolarHBondContact O-CB 3.46Å; T91-N95 VanDerWaalsContact O-CG 3.29Å; T91-N95 PolarHBondContact O-N 3.39Å
92Q98.1Very high96.5Very high110 Ų11060.9 Ų60.951%0.51431%0.313SS..Hα-helixtrans-56.1-50175.7-178.6-175.1-6600111.5H88 F89 V90 Y96H88-Q92 WeakPolarHBondContact O-CB 3.44Å; H88-Q92 PolarHBondContact O-N 3.02Å; F89-Q92 WeakPolarHBondContact O-CB 3.27Å; F89-Q92 PolarHBondContact O-N 3.49Å; V90-Q92 VanDerWaalsContact C-N 3.31Å; V90-Q92 PolarHBondContact O-N 2.94Å; Q92-Y96 VanDerWaalsContact O-CB 3.22Å; Q92-Y96 WeakPolarHBondContact O-CB 3.48Å; Q92-Y96 PolarHBondContact O-N 3.13Å
93W98.3Very high96.3Very high20 Ų2059.3 Ų59.38%0.07632%0.315CS..Hα-helixtrans-68.5-38.3179.7-81.1112.7000113.1F89 V90 T91 Y96 A97 F136 M137 L147 A155 V159F89-W93 PolarHBondContact O-N 2.88Å; V90-W93 PolarHBondContact O-N 3.39Å; T91-W93 PolarHBondContact O-N 3.27Å; W93-Y96 HydrophobicContact CE3-CD1 4.16Å; W93-Y96 HydrophobicContact CZ3-CD1 4.04Å; W93-Y96 HydrophobicContact CZ3-CE1 4.4Å; W93-Y96 PolarHBondContact O-N 3.31Å; W93-A97 WeakPolarHBondContact O-CB 3.31Å; W93-A97 PolarHBondContact O-N 3.13Å; W93-F136 HydrophobicContact CH2-CD1 4.26Å; W93-F136 AromaticContact CH2-CE1 3.5Å; W93-F136 HydrophobicContact CH2-CE1 3.5Å; W93-F136 HydrophobicContact CH2-CZ 4.26Å; W93-F136 HydrophobicContact CZ2-CE1 4.19Å; W93-F136 HydrophobicContact CZ3-CE1 4.2Å; W93-M137 HydrophobicContact CH2-CG 4.09Å; W93-M137 HydrophobicContact CZ3-CG 4.17Å; W93-L147 HydrophobicContact CD2-CB 4.45Å; W93-L147 HydrophobicContact CD2-CD1 4.06Å; W93-L147 HydrophobicContact CD2-CD2 4.42Å; W93-L147 HydrophobicContact CE3-CD1 4.18Å; W93-L147 HydrophobicContact CG-CB 4.4Å; W93-L147 HydrophobicContact CG-CD1 4.33Å; W93-L147 HydrophobicContact CH2-CD2 4.02Å; W93-L147 HydrophobicContact CZ2-CD2 3.8Å; W93-L147 HydrophobicContact CZ3-CD2 4.42Å; W93-L147 PolarHBondContact NE1-O 3.4Å; W93-A155 HydrophobicContact CB-CB 3.52Å; W93-A155 HydrophobicContact CG-CB 3.98Å; W93-V159 HydrophobicContact CB-CG2 4.47Å; W93-V159 HydrophobicContact CE3-CG2 3.92Å
94V98.1Very high96.4Very high13 Ų1359.2 Ų59.28%0.07931%0.312CS..Hα-helixtrans-58.6-52.6174.9169.40000110.4N70 V90 T91 Y96 A97 D98 Q154 T158N70-V94 HydrophobicContact CB-CG1 3.94Å; N70-V94 VanDerWaalsContact CG-CG1 3.42Å; N70-V94 WeakPolarHBondContact ND2-CG1 3.48Å; V90-V94 HydrophobicContact CG1-CG2 4.35Å; V90-V94 WeakPolarHBondContact O-CG2 3.37Å; V90-V94 PolarHBondContact O-N 3.11Å; T91-V94 PolarHBondContact O-N 3.04Å; V94-Y96 VanDerWaalsContact C-N 3.34Å; V94-Y96 PolarHBondContact O-N 3.37Å; V94-A97 PolarHBondContact O-N 3.41Å; V94-D98 PolarHBondContact O-N 2.88Å; V94-D98 VanDerWaalsContact O-N 3.17Å; V94-Q154 HydrophobicContact CG2-CG 4.23Å; V94-T158 HydrophobicContact CB-CG2 4.3Å; V94-T158 HydrophobicContact CG1-CG2 4.27Å; V94-T158 HydrophobicContact CG2-CG2 4.18Å
95N97.9Very high96.6Very high83 Ų8356.9 Ų56.944%0.44429%0.287SS..Hα-helixtrans-65.1-38.7179.4-68.5-12.3000111.9T91 A97 D98 N99T91-N95 WeakPolarHBondContact O-CB 3.46Å; T91-N95 VanDerWaalsContact O-CG 3.29Å; T91-N95 PolarHBondContact O-N 3.39Å; N95-A97 VanDerWaalsContact C-N 3.34Å; N95-D98 PolarHBondContact O-N 3.33Å; N95-N99 WeakPolarHBondContact O-CB 3.35Å; N95-N99 PolarHBondContact O-N 2.81Å; N95-N99 VanDerWaalsContact O-N 3.08Å; N95-N99 PolarHBondContact O-ND2 2.84Å
96Y97.8Very high96.5Very high67 Ų6747.9 Ų47.926%0.26325%0.25SS..Hα-helixtrans-63.4-41.9177.5-173.7-109.6000111.6Q92 W93 V94 N100 I101 V133Q92-Y96 VanDerWaalsContact O-CB 3.22Å; Q92-Y96 WeakPolarHBondContact O-CB 3.48Å; Q92-Y96 PolarHBondContact O-N 3.13Å; W93-Y96 HydrophobicContact CE3-CD1 4.16Å; W93-Y96 HydrophobicContact CZ3-CD1 4.04Å; W93-Y96 HydrophobicContact CZ3-CE1 4.4Å; W93-Y96 PolarHBondContact O-N 3.31Å; V94-Y96 VanDerWaalsContact C-N 3.34Å; V94-Y96 PolarHBondContact O-N 3.37Å; Y96-N100 HydrophobicContact CD2-CB 4.21Å; Y96-N100 VanDerWaalsContact CD2-ND2 3.31Å; Y96-N100 WeakPolarHBondContact CD2-ND2 3.33Å; Y96-N100 HydrophobicContact CE2-CB 3.98Å; Y96-N100 WeakPolarHBondContact O-CB 3.48Å; Y96-N100 PolarHBondContact O-N 2.9Å; Y96-N100 PolarHBondContact O-ND2 2.96Å; Y96-I101 HydrophobicContact CD1-CD1 3.91Å; Y96-I101 HydrophobicContact CD1-CG1 4.12Å; Y96-I101 HydrophobicContact CE1-CD1 4.01Å; Y96-I101 HydrophobicContact CE1-CG1 4.07Å; Y96-I101 PolarHBondContact O-N 2.82Å; Y96-V133 HydrophobicContact CE1-CG1 4.38Å; Y96-V133 HydrophobicContact CE1-CG2 4.35Å
97A97.7Very high96.3Very high0 Ų047.4 Ų47.40%025%0.25CS..Iπ-helixtrans-61.2-47177.800000112W93 V94 N95 I101 L102 T158 V159 A162W93-A97 WeakPolarHBondContact O-CB 3.31Å; W93-A97 PolarHBondContact O-N 3.13Å; V94-A97 PolarHBondContact O-N 3.41Å; N95-A97 VanDerWaalsContact C-N 3.34Å; A97-I101 HydrophobicContact CB-CD1 4.42Å; A97-I101 WeakPolarHBondContact O-CB 3.19Å; A97-I101 PolarHBondContact O-N 3.07Å; A97-I101 VanDerWaalsContact O-N 3.16Å; A97-L102 WeakPolarHBondContact O-CB 3.39Å; A97-L102 PolarHBondContact O-N 3.35Å; A97-T158 HydrophobicContact CB-CG2 3.7Å; A97-V159 HydrophobicContact CB-CG2 4.05Å; A97-A162 HydrophobicContact CB-CB 4.41Å
98D95Very high96.2Very high40 Ų4045.4 Ų45.421%0.21424%0.235CC..Iπ-helixtrans-74.5-31.8-175.8-73.8-25.2000114R18 N70 V94 N95 P103R18-D98 IonicContact CZ-OD1 2.71Å; R18-D98 IonicContact NH1-OD1 2.86Å; R18-D98 PolarHBondContact NH1-OD1 2.95Å; R18-D98 IonicContact NH1-OD2 3.04Å; R18-D98 PolarHBondContact NH1-OD2 2.98Å; R18-D98 IonicContact NH2-OD1 2.67Å; R18-D98 PolarHBondContact NH2-OD1 2.78Å; N70-D98 PolarHBondContact ND2-OD2 2.84Å; V94-D98 PolarHBondContact O-N 2.88Å; V94-D98 VanDerWaalsContact O-N 3.17Å; N95-D98 PolarHBondContact O-N 3.33Å; D98-P103 WeakPolarHBondContact O-CD 3.49Å; D98-P103 WeakPolarHBondContact O-CG 3.46Å
99N94.9Very high96.1Very high116 Ų11640.6 Ų40.662%0.6221%0.213SC*.Iπ-helixtrans-91.8-22.9-176.8-65.4-57.7000113.6N95N95-N99 WeakPolarHBondContact O-CB 3.35Å; N95-N99 PolarHBondContact O-N 2.81Å; N95-N99 VanDerWaalsContact O-N 3.08Å; N95-N99 PolarHBondContact O-ND2 2.84Å
100N92Very high95.7Very high65 Ų6538.1 Ų38.135%0.34820%0.201SC..Iπ-helixtrans-123.3-48.8-172.9-56.6-91.6000112.7Y96 S104Y96-N100 HydrophobicContact CD2-CB 4.21Å; Y96-N100 VanDerWaalsContact CD2-ND2 3.31Å; Y96-N100 WeakPolarHBondContact CD2-ND2 3.33Å; Y96-N100 HydrophobicContact CE2-CB 3.98Å; Y96-N100 WeakPolarHBondContact O-CB 3.48Å; Y96-N100 PolarHBondContact O-N 2.9Å; Y96-N100 PolarHBondContact O-ND2 2.96Å; N100-S104 WeakPolarHBondContact O-CB 3.11Å; N100-S104 PolarHBondContact O-OG 2.85Å
101I97.3Very high95.2Very high0 Ų037.9 Ų37.90%020%0.199CC..Iπ-helixtrans-77.1-61-172.2-53-175.1000110.5Y96 A97 S104 V105 I130 V133 M137 V159 A162 L163Y96-I101 HydrophobicContact CD1-CD1 3.91Å; Y96-I101 HydrophobicContact CD1-CG1 4.12Å; Y96-I101 HydrophobicContact CE1-CD1 4.01Å; Y96-I101 HydrophobicContact CE1-CG1 4.07Å; Y96-I101 PolarHBondContact O-N 2.82Å; A97-I101 HydrophobicContact CB-CD1 4.42Å; A97-I101 WeakPolarHBondContact O-CB 3.19Å; A97-I101 PolarHBondContact O-N 3.07Å; A97-I101 VanDerWaalsContact O-N 3.16Å; I101-S104 PolarHBondContact O-N 3.14Å; I101-S104 VanDerWaalsContact O-N 3.16Å; I101-V105 HydrophobicContact CG2-CG2 4.21Å; I101-V105 WeakPolarHBondContact O-CG2 3.03Å; I101-V105 PolarHBondContact O-N 3.3Å; I101-I130 HydrophobicContact CG2-CD1 4.5Å; I101-V133 HydrophobicContact CD1-CG1 3.79Å; I101-V133 HydrophobicContact CG1-CG1 3.87Å; I101-V133 HydrophobicContact CG1-CG2 4.35Å; I101-M137 HydrophobicContact CD1-SD 4.45Å; I101-V159 HydrophobicContact CD1-CG1 3.96Å; I101-V159 HydrophobicContact CD1-CG2 4.45Å; I101-A162 HydrophobicContact CB-CB 4.49Å; I101-A162 HydrophobicContact CG2-CB 4.09Å; I101-L163 HydrophobicContact CG2-CD2 3.46Å; I101-L163 VanDerWaalsContact CG2-CD2 3.46Å; I101-L163 HydrophobicContact CG2-CG 3.87Å
102L94.6Very high94.9Very high5 Ų535.4 Ų35.43%0.02619%0.185CC..Hα-helixtrans-60.2-42.4-174-179.961.1000113.1R15 A97 S104 V105 A106 A162R15-L102 HydrophobicContact CG-CD2 4.41Å; A97-L102 WeakPolarHBondContact O-CB 3.39Å; A97-L102 PolarHBondContact O-N 3.35Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 2.65Å; L102-V105 PolarHBondContact O-N 2.85Å; L102-A106 VanDerWaalsContact O-CB 3.23Å; L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.16Å; L102-A162 HydrophobicContact CB-CB 4.08Å
103P93.6Very high94.4Very high56 Ų5632.1 Ų32.136%0.36417%0.17SC..Hα-helixtrans-61.3-39.3176.3-25.136.6000112.5D98 T107D98-P103 WeakPolarHBondContact O-CD 3.49Å; D98-P103 WeakPolarHBondContact O-CG 3.46Å; P103-T107 WeakPolarHBondContact O-CB 3.37Å; P103-T107 PolarHBondContact O-N 3.01Å; P103-T107 PolarHBondContact O-OG1 3.16Å
104S96.4Very high93.6Very high16 Ų1631.2 Ų31.211%0.11217%0.167CC..Hα-helixtrans-69.7-43177.5-59.60000111.6N100 I101 L102 T107 W108 A126 C129N100-S104 WeakPolarHBondContact O-CB 3.11Å; N100-S104 PolarHBondContact O-OG 2.85Å; I101-S104 PolarHBondContact O-N 3.14Å; I101-S104 VanDerWaalsContact O-N 3.16Å; L102-S104 VanDerWaalsContact C-N 3.3Å; L102-S104 PolarHBondContact O-N 2.65Å; S104-T107 PolarHBondContact O-N 3.09Å; S104-W108 PolarHBondContact O-N 2.95Å; S104-A126 WeakPolarHBondContact O-CB 3.2Å; S104-C129 PolarHBondContact OG-SG 2.78Å
105V96.8Very high92.6Very high0 Ų034.6 Ų34.60%018%0.184CC..Hα-helixtrans-61.4-47.4174174.40000110.8I101 L102 T107 W108 V109 I130 L163 P165 L166I101-V105 HydrophobicContact CG2-CG2 4.21Å; I101-V105 WeakPolarHBondContact O-CG2 3.03Å; I101-V105 PolarHBondContact O-N 3.3Å; L102-V105 PolarHBondContact O-N 2.85Å; V105-T107 PolarHBondContact O-N 3.29Å; V105-W108 PolarHBondContact O-N 3.19Å; V105-V109 HydrophobicContact CG1-CG2 3.93Å; V105-V109 WeakPolarHBondContact O-CB 3.09Å; V105-V109 WeakPolarHBondContact O-CG2 3.43Å; V105-V109 PolarHBondContact O-N 2.79Å; V105-I130 HydrophobicContact CG2-CD1 3.61Å; V105-I130 HydrophobicContact CG2-CG1 4.5Å; V105-L163 HydrophobicContact CG2-CD2 4.22Å; V105-P165 HydrophobicContact CG1-CB 4.08Å; V105-P165 HydrophobicContact CG1-CG 4.44Å; V105-L166 HydrophobicContact CG1-CB 4.07Å; V105-L166 HydrophobicContact CG2-CB 4.14Å
106A92.2Very high91.9Very high12 Ų1233.3 Ų33.310%0.09918%0.179CC..Hα-helixtrans-58.3-47.5178.100000111.8L102 W108 V109 Y110L102-A106 VanDerWaalsContact O-CB 3.23Å; L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.16Å; A106-W108 PolarHBondContact O-N 2.77Å; A106-V109 PolarHBondContact O-N 3.28Å; A106-Y110 HydrophobicContact CB-CD1 4.33Å; A106-Y110 HydrophobicContact CB-CD2 3.76Å; A106-Y110 HydrophobicContact CB-CE1 4.04Å; A106-Y110 HydrophobicContact CB-CE2 3.44Å; A106-Y110 VanDerWaalsContact CB-CE2 3.44Å; A106-Y110 HydrophobicContact CB-CG 4.18Å; A106-Y110 WeakPolarHBondContact O-CB 3.49Å; A106-Y110 PolarHBondContact O-N 3.46Å
107T92.4Very high91.2Very high56 Ų5633.9 Ų33.934%0.34418%0.184SC..Hα-helixtrans-59.5-32.3179-60.70000112.8P103 S104 V105 N122 A126P103-T107 WeakPolarHBondContact O-CB 3.37Å; P103-T107 PolarHBondContact O-N 3.01Å; P103-T107 PolarHBondContact O-OG1 3.16Å; S104-T107 PolarHBondContact O-N 3.09Å; V105-T107 PolarHBondContact O-N 3.29Å; T107-N122 HydrophobicContact CG2-CB 3.9Å; T107-A126 HydrophobicContact CG2-CB 3.9Å
108W95.3Very high90.6Very high28 Ų2838.2 Ų38.211%0.10620%0.203CC..Hα-helixtrans-85-46.4177.3-172.7-1.1000112S104 V105 A106 T123 K127 I130 L166 V170 Y171S104-W108 PolarHBondContact O-N 2.95Å; V105-W108 PolarHBondContact O-N 3.19Å; A106-W108 PolarHBondContact O-N 2.77Å; W108-T123 HydrophobicContact CB-CG2 4.49Å; W108-T123 HydrophobicContact CG-CG2 4.18Å; W108-K127 HydrophobicContact CD2-CD 4.44Å; W108-K127 HydrophobicContact CD2-CG 3.61Å; W108-K127 HydrophobicContact CE3-CB 4.44Å; W108-K127 HydrophobicContact CE3-CG 3.59Å; W108-K127 HydrophobicContact CG-CG 4.31Å; W108-K127 HydrophobicContact CH2-CD 4.45Å; W108-K127 HydrophobicContact CH2-CG 3.84Å; W108-K127 HydrophobicContact CZ2-CD 4.14Å; W108-K127 VanDerWaalsContact CZ2-CE 3.46Å; W108-K127 HydrophobicContact CZ2-CG 3.88Å; W108-K127 HydrophobicContact CZ3-CB 4.36Å; W108-K127 HydrophobicContact CZ3-CG 3.7Å; W108-K127 VanDerWaalsContact NE1-CE 3.29Å; W108-I130 HydrophobicContact CE3-CG1 4.49Å; W108-I130 HydrophobicContact CZ3-CB 4.47Å; W108-I130 HydrophobicContact CZ3-CG2 4.27Å; W108-L166 HydrophobicContact CD2-CD1 4.39Å; W108-L166 HydrophobicContact CE3-CD1 3.64Å; W108-L166 HydrophobicContact CH2-CD1 4.27Å; W108-L166 HydrophobicContact CZ3-CD1 3.58Å; W108-V170 HydrophobicContact CD2-CG2 3.94Å; W108-V170 HydrophobicContact CE3-CG2 4.4Å; W108-V170 HydrophobicContact CG-CG2 4.31Å; W108-V170 HydrophobicContact CH2-CG2 4.49Å; W108-V170 HydrophobicContact CZ2-CB 4.24Å; W108-V170 HydrophobicContact CZ2-CG2 4.01Å; W108-Y171 AromaticContact CH2-CD2 3.81Å; W108-Y171 HydrophobicContact CH2-CD2 3.81Å; W108-Y171 HydrophobicContact CH2-CE2 4.14Å; W108-Y171 HydrophobicContact CZ3-CD2 4.19Å; W108-Y171 HydrophobicContact CZ3-CE2 4.41Å
109V94.7Very high90.3Very high0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-85.2-40.1-168.6178.30000113.1V105 A106 C112 L113 P165 H169 V170V105-V109 HydrophobicContact CG1-CG2 3.93Å; V105-V109 WeakPolarHBondContact O-CB 3.09Å; V105-V109 WeakPolarHBondContact O-CG2 3.43Å; V105-V109 PolarHBondContact O-N 2.79Å; A106-V109 PolarHBondContact O-N 3.28Å; V109-C112 WeakPolarHBondContact O-CA 3.41Å; V109-C112 WeakPolarHBondContact O-CB 3.3Å; V109-C112 PolarHBondContact O-N 3.4Å; V109-L113 HydrophobicContact CG1-CD1 3.9Å; V109-L113 HydrophobicContact CG1-CG 4.11Å; V109-L113 PolarHBondContact O-N 3.32Å; V109-P165 HydrophobicContact CG1-CB 4.02Å; V109-P165 HydrophobicContact CG2-CB 4.42Å; V109-H169 HydrophobicContact CG1-CB 3.99Å; V109-V170 HydrophobicContact CG2-CG1 4.09Å; V109-V170 HydrophobicContact CG2-CG2 3.72Å
110Y90.4Very high90Very high40 Ų4039.3 Ų39.316%0.15720%0.203CC..Hα-helixtrans-61.7-35.9-172.5-692.4000113.8H14 A106 L113 G114 I115 T116H14-Y110 PolarHBondContact CE1-OH 3.14Å; H14-Y110 PolarHBondContact NE2-OH 3.5Å; A106-Y110 HydrophobicContact CB-CD1 4.33Å; A106-Y110 HydrophobicContact CB-CD2 3.76Å; A106-Y110 HydrophobicContact CB-CE1 4.04Å; A106-Y110 HydrophobicContact CB-CE2 3.44Å; A106-Y110 VanDerWaalsContact CB-CE2 3.44Å; A106-Y110 HydrophobicContact CB-CG 4.18Å; A106-Y110 WeakPolarHBondContact O-CB 3.49Å; A106-Y110 PolarHBondContact O-N 3.46Å; Y110-L113 PolarHBondContact O-N 3.07Å; Y110-G114 PolarHBondContact O-N 2.65Å; Y110-I115 HydrophobicContact CD1-CD1 4.22Å; Y110-I115 HydrophobicContact CD2-CG2 4.48Å; Y110-I115 HydrophobicContact CG-CD1 4.3Å; Y110-I115 PolarHBondContact O-N 2.96Å; Y110-T116 WeakPolarHBondContact CB-OG1 3.18Å
111P88.8Confident89.9Confident3 Ų340.6 Ų40.62%0.01921%0.207CC..Hα-helixtrans-60.1-44.3169.6-24.334.5000112.9L113 G114 T116 F118 F211P111-L113 PolarHBondContact O-N 3.02Å; P111-L113 VanDerWaalsContact O-N 3.1Å; P111-G114 PolarHBondContact O-N 2.55Å; P111-T116 VanDerWaalsContact CA-O 3.31Å; P111-T116 WeakPolarHBondContact CA-O 3.44Å; P111-T116 WeakPolarHBondContact CD-OG1 3.43Å; P111-T116 WeakPolarHBondContact CG-OG1 3.42Å; P111-F118 HydrophobicContact CB-CB 3.98Å; P111-F118 HydrophobicContact CB-CD2 4.12Å; P111-F211 HydrophobicContact CB-CD2 3.96Å; P111-F211 WeakPolarHBondContact O-CD2 3.33Å
112C91.6Very high89.5Confident14 Ų1444.1 Ų44.110%0.09523%0.226CC..Hα-helixtrans-62.7-21.5178.2-55.70000113.1V109 V170 A209V109-C112 WeakPolarHBondContact O-CA 3.41Å; V109-C112 WeakPolarHBondContact O-CB 3.3Å; V109-C112 PolarHBondContact O-N 3.4Å; C112-V170 HydrophobicContact CB-CG1 4.43Å; C112-A209 HydrophobicContact CB-CB 3.69Å; C112-A209 PolarHBondContact SG-O 2.91Å
113L86.2Confident89.4Confident40 Ų4044.2 Ų44.221%0.20923%0.226CC..THydrogen-bonded Turntrans-90.7-6.4174.5-59.4-177.9000113.6V109 Y110 P111 I115 K215V109-L113 HydrophobicContact CG1-CD1 3.9Å; V109-L113 HydrophobicContact CG1-CG 4.11Å; V109-L113 PolarHBondContact O-N 3.32Å; Y110-L113 PolarHBondContact O-N 3.07Å; P111-L113 PolarHBondContact O-N 3.02Å; P111-L113 VanDerWaalsContact O-N 3.1Å; L113-I115 VanDerWaalsContact C-N 3.31Å; L113-I115 HydrophobicContact CB-CD1 3.88Å; L113-I115 HydrophobicContact CB-CG1 3.97Å; L113-I115 HydrophobicContact CD1-CD1 4.05Å; L113-K215 WeakPolarHBondContact O-CE 3.12Å; L113-K215 PolarHBondContact O-NZ 2.8Å
114G81.2Confident89.4Confident1 Ų146.5 Ų46.51%0.0123%0.232CC..THydrogen-bonded Turntrans77.613.6-176.200000113.9Y110 P111 Y216 L219Y110-G114 PolarHBondContact O-N 2.65Å; P111-G114 PolarHBondContact O-N 2.55Å; G114-Y216 WeakPolarHBondContact O-CD2 3.37Å; G114-L219 WeakPolarHBondContact O-CD1 3.12Å
115I78.7Confident89.2Confident84 Ų8451.8 Ų51.843%0.43125%0.253SS..SBendtrans-78.6-45.2-178-60.4169.7000110.1Y110 L113 H220Y110-I115 HydrophobicContact CD1-CD1 4.22Å; Y110-I115 HydrophobicContact CD2-CG2 4.48Å; Y110-I115 HydrophobicContact CG-CD1 4.3Å; Y110-I115 PolarHBondContact O-N 2.96Å; L113-I115 VanDerWaalsContact C-N 3.31Å; L113-I115 HydrophobicContact CB-CD1 3.88Å; L113-I115 HydrophobicContact CB-CG1 3.97Å; L113-I115 HydrophobicContact CD1-CD1 4.05Å; I115-H220 PolarHBondContact O-CE1 3.34Å; I115-H220 PolarHBondContact O-NE2 3.12Å
116T82.1Confident89.1Confident57 Ų5752 Ų5235%0.3526%0.255SS..SBendtrans-122.5162.2178.4590000110.4Y110 P111Y110-T116 WeakPolarHBondContact CB-OG1 3.18Å; P111-T116 VanDerWaalsContact CA-O 3.31Å; P111-T116 WeakPolarHBondContact CA-O 3.44Å; P111-T116 WeakPolarHBondContact CD-OG1 3.43Å; P111-T116 WeakPolarHBondContact CG-OG1 3.42Å
117Q83Confident89.3Confident78 Ų7855.7 Ų55.736%0.36427%0.269SS..  trans-71.5148.8174.4-162.6178.216.800110.7Y216 T376Q117-Y216 HydrophobicContact CB-CE2 4.26Å; Q117-T376 PolarHBondContact NE2-OG1 2.95Å; Q117-T376 PolarHBondContact OE1-OG1 3.5Å
118F85.1Confident89.5Confident92 Ų9256 Ų5640%0.40428%0.277SS..  trans-77.3129.8176.6177.9-102.8000111.9P111 K120 T123 F211P111-F118 HydrophobicContact CB-CB 3.98Å; P111-F118 HydrophobicContact CB-CD2 4.12Å; F118-K120 HydrophobicContact CE1-CB 3.96Å; F118-K120 HydrophobicContact CZ-CB 4.24Å; F118-T123 HydrophobicContact CE2-CG2 4.1Å; F118-F211 HydrophobicContact CB-CB 3.85Å; F118-F211 HydrophobicContact CB-CD1 3.91Å; F118-F211 HydrophobicContact CB-CD2 3.69Å; F118-F211 HydrophobicContact CB-CE1 4.39Å; F118-F211 HydrophobicContact CB-CE2 4.23Å; F118-F211 HydrophobicContact CB-CG 3.54Å; F118-F211 HydrophobicContact CD2-CB 4.31Å; F118-F211 HydrophobicContact CG-CB 4.18Å; F118-F211 HydrophobicContact CG-CG 4.35Å
119N88.4Confident89.5Confident44 Ų4456.8 Ų56.824%0.23529%0.286CS..  trans-126.3112.6171.6-179.6-61.2000109.8Q121 N122 T123N119-Q121 PolarHBondContact O-N 3.46Å; N119-Q121 PolarHBondContact OD1-N 2.95Å; N119-N122 HydrophobicContact CB-CB 4.13Å; N119-N122 PolarHBondContact O-N 3.2Å; N119-N122 WeakPolarHBondContact OD1-CB 3.37Å; N119-N122 PolarHBondContact OD1-N 2.65Å; N119-T123 WeakPolarHBondContact O-CB 3.39Å; N119-T123 PolarHBondContact O-N 3.11Å; N119-T123 PolarHBondContact O-OG1 2.89Å
120K89.9Confident89.6Confident135 Ų13556.8 Ų56.859%0.58729%0.286SS*.Hα-helixtrans-57.7-48.8-174.1-176.1178.1174-177.20113F118 N122 T123 E124F118-K120 HydrophobicContact CE1-CB 3.96Å; F118-K120 HydrophobicContact CZ-CB 4.24Å; K120-N122 PolarHBondContact O-N 3.05Å; K120-T123 PolarHBondContact O-N 2.82Å; K120-E124 WeakPolarHBondContact CE-OE1 3.39Å; K120-E124 WeakPolarHBondContact O-CG 3.46Å; K120-E124 PolarHBondContact O-N 2.91Å
121Q90.3Very high89.9Confident91 Ų9157.2 Ų57.243%0.42530%0.295SS..Hα-helixtrans-65-42.7-176.2-169.7-175.322.200111.6N119 E124 K125N119-Q121 PolarHBondContact O-N 3.46Å; N119-Q121 PolarHBondContact OD1-N 2.95Å; Q121-E124 PolarHBondContact O-N 2.99Å; Q121-K125 WeakPolarHBondContact O-CG 3.44Å; Q121-K125 PolarHBondContact O-N 3.2Å
122N87.9Confident90.3Very high75 Ų7560.9 Ų60.940%0.40132%0.321SS..Hα-helixtrans-67.8-40.9177.7-69.9-13.5000111.3T107 N119 K120 K125 A126T107-N122 HydrophobicContact CG2-CB 3.9Å; N119-N122 HydrophobicContact CB-CB 4.13Å; N119-N122 PolarHBondContact O-N 3.2Å; N119-N122 WeakPolarHBondContact OD1-CB 3.37Å; N119-N122 PolarHBondContact OD1-N 2.65Å; K120-N122 PolarHBondContact O-N 3.05Å; N122-K125 PolarHBondContact O-N 3.15Å; N122-A126 VanDerWaalsContact O-CB 3.3Å; N122-A126 WeakPolarHBondContact O-CB 3.47Å; N122-A126 PolarHBondContact O-N 3.45Å
123T91.4Very high90.6Very high6 Ų660.2 Ų60.24%0.03732%0.316CS..Hα-helixtrans-63.6-40.2175.1-60.30000111.9W108 F118 N119 K120 A126 K127W108-T123 HydrophobicContact CB-CG2 4.49Å; W108-T123 HydrophobicContact CG-CG2 4.18Å; F118-T123 HydrophobicContact CE2-CG2 4.1Å; N119-T123 WeakPolarHBondContact O-CB 3.39Å; N119-T123 PolarHBondContact O-N 3.11Å; N119-T123 PolarHBondContact O-OG1 2.89Å; K120-T123 PolarHBondContact O-N 2.82Å; T123-A126 PolarHBondContact O-N 3.3Å; T123-K127 HydrophobicContact CG2-CD 4.32Å; T123-K127 HydrophobicContact CG2-CG 4.49Å; T123-K127 WeakPolarHBondContact O-CB 3.31Å; T123-K127 VanDerWaalsContact O-CG 3.3Å; T123-K127 WeakPolarHBondContact O-CG 3.4Å; T123-K127 PolarHBondContact O-N 3Å
124E94.1Very high91.2Very high105 Ų10558.4 Ų58.449%0.49131%0.307SS..Hα-helixtrans-64.1-43.5176.1-75.7172.3178.900112.1K120 Q121 K127 A128K120-E124 WeakPolarHBondContact CE-OE1 3.39Å; K120-E124 WeakPolarHBondContact O-CG 3.46Å; K120-E124 PolarHBondContact O-N 2.91Å; Q121-E124 PolarHBondContact O-N 2.99Å; E124-K127 PolarHBondContact O-N 2.94Å; E124-A128 PolarHBondContact O-N 3.46Å
125K93.4Very high92Very high126 Ų12664.3 Ų64.355%0.54833%0.332SS..Hα-helixtrans-61.3-44.1173.1-72.4175.6-178.3173.50112Q121 N122 A128 C129Q121-K125 WeakPolarHBondContact O-CG 3.44Å; Q121-K125 PolarHBondContact O-N 3.2Å; N122-K125 PolarHBondContact O-N 3.15Å; K125-A128 PolarHBondContact O-N 3.33Å; K125-C129 PolarHBondContact O-N 2.95Å
126A94Very high92.9Very high5 Ų564 Ų644%0.04133%0.328CS..Hα-helixtrans-60.9-44.8177.200000111.6S104 T107 N122 T123 A128 C129 I130S104-A126 WeakPolarHBondContact O-CB 3.2Å; T107-A126 HydrophobicContact CG2-CB 3.9Å; N122-A126 VanDerWaalsContact O-CB 3.3Å; N122-A126 WeakPolarHBondContact O-CB 3.47Å; N122-A126 PolarHBondContact O-N 3.45Å; T123-A126 PolarHBondContact O-N 3.3Å; A126-A128 PolarHBondContact O-N 3.43Å; A126-C129 PolarHBondContact O-N 3.14Å; A126-I130 WeakPolarHBondContact O-CG1 3.25Å; A126-I130 PolarHBondContact O-N 2.89Å
127K95.9Very high93.6Very high89 Ų8961.2 Ų61.239%0.38731%0.311SS..Hα-helixtrans-57.2-46.6174.1-76.4174.8175.1-174.30112W108 T123 E124 C129 I130 S131W108-K127 HydrophobicContact CD2-CD 4.44Å; W108-K127 HydrophobicContact CD2-CG 3.61Å; W108-K127 HydrophobicContact CE3-CB 4.44Å; W108-K127 HydrophobicContact CE3-CG 3.59Å; W108-K127 HydrophobicContact CG-CG 4.31Å; W108-K127 HydrophobicContact CH2-CD 4.45Å; W108-K127 HydrophobicContact CH2-CG 3.84Å; W108-K127 HydrophobicContact CZ2-CD 4.14Å; W108-K127 VanDerWaalsContact CZ2-CE 3.46Å; W108-K127 HydrophobicContact CZ2-CG 3.88Å; W108-K127 HydrophobicContact CZ3-CB 4.36Å; W108-K127 HydrophobicContact CZ3-CG 3.7Å; W108-K127 VanDerWaalsContact NE1-CE 3.29Å; T123-K127 HydrophobicContact CG2-CD 4.32Å; T123-K127 HydrophobicContact CG2-CG 4.49Å; T123-K127 WeakPolarHBondContact O-CB 3.31Å; T123-K127 VanDerWaalsContact O-CG 3.3Å; T123-K127 WeakPolarHBondContact O-CG 3.4Å; T123-K127 PolarHBondContact O-N 3Å; E124-K127 PolarHBondContact O-N 2.94Å; K127-C129 PolarHBondContact O-N 3.29Å; K127-I130 PolarHBondContact O-N 3.43Å; K127-S131 PolarHBondContact O-N 3.27Å; K127-S131 PolarHBondContact O-OG 3.13Å
128A96.2Very high94.4Very high63 Ų6358.8 Ų58.852%0.52130%0.3SS..Hα-helixtrans-62.3-42.1177.900000112.3E124 K125 A126 S131 S132E124-A128 PolarHBondContact O-N 3.46Å; K125-A128 PolarHBondContact O-N 3.33Å; A126-A128 PolarHBondContact O-N 3.43Å; A128-S131 PolarHBondContact O-N 2.54Å; A128-S132 PolarHBondContact O-N 3.13Å; A128-S132 VanDerWaalsContact O-N 3.1Å
129C95.8Very high95Very high44 Ų4459.1 Ų59.130%0.29730%0.303SS..Hα-helixtrans-60.9-48.6174.9-174.90000111.4S104 K125 A126 K127 S131 S132 V133S104-C129 PolarHBondContact OG-SG 2.78Å; K125-C129 PolarHBondContact O-N 2.95Å; A126-C129 PolarHBondContact O-N 3.14Å; K127-C129 PolarHBondContact O-N 3.29Å; C129-S131 PolarHBondContact O-N 3.16Å; C129-S132 WeakPolarHBondContact O-CB 3.29Å; C129-S132 PolarHBondContact O-N 3.02Å; C129-S132 VanDerWaalsContact O-N 3.12Å; C129-V133 WeakPolarHBondContact O-CG2 3.4Å; C129-V133 PolarHBondContact O-N 3.34Å
130I97.2Very high95.4Very high0 Ų060.7 Ų60.70%031%0.309CS..Hα-helixtrans-59.5-44.4177.4-67.7-58.7000111.5I101 V105 W108 A126 K127 S132 V133 L134 L166I101-I130 HydrophobicContact CG2-CD1 4.5Å; V105-I130 HydrophobicContact CG2-CD1 3.61Å; V105-I130 HydrophobicContact CG2-CG1 4.5Å; W108-I130 HydrophobicContact CE3-CG1 4.49Å; W108-I130 HydrophobicContact CZ3-CB 4.47Å; W108-I130 HydrophobicContact CZ3-CG2 4.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.25Å; A126-I130 PolarHBondContact O-N 2.89Å; K127-I130 PolarHBondContact O-N 3.43Å; I130-S132 VanDerWaalsContact C-N 3.27Å; I130-S132 PolarHBondContact O-N 2.67Å; I130-V133 PolarHBondContact O-N 3.37Å; I130-L134 HydrophobicContact CG2-CD1 3.7Å; I130-L134 HydrophobicContact CG2-CG 4.03Å; I130-L134 WeakPolarHBondContact O-CB 3.31Å; I130-L134 VanDerWaalsContact O-CG 3.29Å; I130-L134 WeakPolarHBondContact O-CG 3.33Å; I130-L134 PolarHBondContact O-N 3.03Å; I130-L166 HydrophobicContact CG2-CD1 4.19Å; I130-L166 HydrophobicContact CG2-CD2 3.63Å
131S96.9Very high95.8Very high50 Ų5054.3 Ų54.335%0.3528%0.281SS..Hα-helixtrans-59.6-37.8176.2-65.60000112.7K127 A128 C129 K135 Y179K127-S131 PolarHBondContact O-N 3.27Å; K127-S131 PolarHBondContact O-OG 3.13Å; A128-S131 PolarHBondContact O-N 2.54Å; C129-S131 PolarHBondContact O-N 3.16Å; S131-K135 WeakPolarHBondContact O-CB 3.26Å; S131-K135 PolarHBondContact O-N 3.26Å; S131-Y179 PolarHBondContact O-OH 3.37Å
132S97.3Very high96.2Very high79 Ų7952.7 Ų52.755%0.55228%0.28SS*.Hα-helixtrans-67.3-46.2175.2-178.30000112A128 C129 I130 K135 F136A128-S132 PolarHBondContact O-N 3.13Å; A128-S132 VanDerWaalsContact O-N 3.1Å; C129-S132 WeakPolarHBondContact O-CB 3.29Å; C129-S132 PolarHBondContact O-N 3.02Å; C129-S132 VanDerWaalsContact O-N 3.12Å; I130-S132 VanDerWaalsContact C-N 3.27Å; I130-S132 PolarHBondContact O-N 2.67Å; S132-K135 PolarHBondContact O-N 3.12Å; S132-F136 PolarHBondContact O-N 2.82Å
133V97.6Very high96.6Very high1 Ų157.4 Ų57.41%0.00630%0.297CS..Hα-helixtrans-58.3-51.2175.9169.50000110.9Y96 I101 C129 I130 K135 F136 M137Y96-V133 HydrophobicContact CE1-CG1 4.38Å; Y96-V133 HydrophobicContact CE1-CG2 4.35Å; I101-V133 HydrophobicContact CD1-CG1 3.79Å; I101-V133 HydrophobicContact CG1-CG1 3.87Å; I101-V133 HydrophobicContact CG1-CG2 4.35Å; C129-V133 WeakPolarHBondContact O-CG2 3.4Å; C129-V133 PolarHBondContact O-N 3.34Å; I130-V133 PolarHBondContact O-N 3.37Å; V133-K135 VanDerWaalsContact C-N 3.3Å; V133-K135 PolarHBondContact O-N 3.11Å; V133-F136 PolarHBondContact O-N 3Å; V133-M137 HydrophobicContact CG1-CG 4.35Å; V133-M137 HydrophobicContact CG1-SD 3.88Å; V133-M137 WeakPolarHBondContact O-CB 3.32Å; V133-M137 WeakPolarHBondContact O-CG 3.46Å; V133-M137 PolarHBondContact O-N 2.99Å
134L98Very high96.9Very high1 Ų160 Ų601%0.00531%0.311CS..Hα-helixtrans-63.8-37.5-177.9-68.7177.8000111.4I130 N138 L163 L166 F167 Y171 Y179 V182I130-L134 HydrophobicContact CG2-CD1 3.7Å; I130-L134 HydrophobicContact CG2-CG 4.03Å; I130-L134 WeakPolarHBondContact O-CB 3.31Å; I130-L134 VanDerWaalsContact O-CG 3.29Å; I130-L134 WeakPolarHBondContact O-CG 3.33Å; I130-L134 PolarHBondContact O-N 3.03Å; L134-N138 WeakPolarHBondContact O-CB 2.98Å; L134-N138 PolarHBondContact O-N 2.97Å; L134-L163 HydrophobicContact CD2-CD1 4.33Å; L134-L163 HydrophobicContact CD2-CD2 4.38Å; L134-L166 HydrophobicContact CD1-CD2 4.26Å; L134-F167 HydrophobicContact CD2-CZ 4.34Å; L134-Y171 HydrophobicContact CD1-CE1 3.94Å; L134-Y171 HydrophobicContact CD1-CE2 4.06Å; L134-Y171 WeakPolarHBondContact CD1-OH 3.32Å; L134-Y179 HydrophobicContact CB-CD1 3.88Å; L134-Y179 HydrophobicContact CB-CD2 4.1Å; L134-Y179 HydrophobicContact CB-CE1 3.89Å; L134-Y179 HydrophobicContact CB-CE2 4.14Å; L134-Y179 HydrophobicContact CB-CG 3.96Å; L134-Y179 HydrophobicContact CD1-CD2 4.18Å; L134-Y179 HydrophobicContact CD1-CE2 4.26Å; L134-Y179 WeakPolarHBondContact O-CD1 3.15Å; L134-V182 HydrophobicContact CD2-CG1 3.95Å
135K98.1Very high97Very high125 Ų12558.7 Ų58.754%0.54331%0.31SS..Hα-helixtrans-60.8-52.5173.4-176-179.2176.1-176.10111.5S131 S132 V133 M137 N138 E139 Y179S131-K135 WeakPolarHBondContact O-CB 3.26Å; S131-K135 PolarHBondContact O-N 3.26Å; S132-K135 PolarHBondContact O-N 3.12Å; V133-K135 VanDerWaalsContact C-N 3.3Å; V133-K135 PolarHBondContact O-N 3.11Å; K135-M137 PolarHBondContact O-N 3.37Å; K135-N138 PolarHBondContact O-N 3.32Å; K135-E139 VanDerWaalsContact CE-OE1 3.29Å; K135-E139 WeakPolarHBondContact CE-OE1 3.32Å; K135-E139 WeakPolarHBondContact O-CG 3.43Å; K135-E139 PolarHBondContact O-N 3.28Å; K135-E139 VanDerWaalsContact O-N 3.07Å; K135-Y179 HydrophobicContact CB-CE1 3.94Å; K135-Y179 VanDerWaalsContact N-CE1 3.35Å
136F97.7Very high97.2Very high77 Ų7754 Ų5434%0.33829%0.289SS..Hα-helixtrans-57.2-48.9177.9165.8-113000111.7W93 S132 V133 N138 E139 Q140W93-F136 HydrophobicContact CH2-CD1 4.26Å; W93-F136 AromaticContact CH2-CE1 3.5Å; W93-F136 HydrophobicContact CH2-CE1 3.5Å; W93-F136 HydrophobicContact CH2-CZ 4.26Å; W93-F136 HydrophobicContact CZ2-CE1 4.19Å; W93-F136 HydrophobicContact CZ3-CE1 4.2Å; S132-F136 PolarHBondContact O-N 2.82Å; V133-F136 PolarHBondContact O-N 3Å; F136-N138 PolarHBondContact O-N 2.95Å; F136-E139 PolarHBondContact O-N 3.42Å; F136-Q140 HydrophobicContact CD2-CG 4.21Å; F136-Q140 HydrophobicContact CE2-CG 3.73Å; F136-Q140 HydrophobicContact CZ-CG 3.93Å; F136-Q140 WeakPolarHBondContact O-CG 3.4Å; F136-Q140 PolarHBondContact O-N 3.33Å; F136-Q140 VanDerWaalsContact O-N 3.11Å
137M98.1Very high97.4Very high0 Ų054.3 Ų54.30%029%0.29CS..Hα-helixtrans-62-42.1178.1-73.7-177.665.200112.2W93 I101 V133 K135 E139 Q140 L141 L147 V159 L163 V182 W185W93-M137 HydrophobicContact CH2-CG 4.09Å; W93-M137 HydrophobicContact CZ3-CG 4.17Å; I101-M137 HydrophobicContact CD1-SD 4.45Å; V133-M137 HydrophobicContact CG1-CG 4.35Å; V133-M137 HydrophobicContact CG1-SD 3.88Å; V133-M137 WeakPolarHBondContact O-CB 3.32Å; V133-M137 WeakPolarHBondContact O-CG 3.46Å; V133-M137 PolarHBondContact O-N 2.99Å; K135-M137 PolarHBondContact O-N 3.37Å; M137-E139 VanDerWaalsContact C-N 3.3Å; M137-E139 PolarHBondContact O-N 2.85Å; M137-Q140 PolarHBondContact O-N 2.72Å; M137-L141 HydrophobicContact CB-CD1 4.29Å; M137-L141 HydrophobicContact CE-CD1 4.17Å; M137-L141 VanDerWaalsContact O-CB 3.26Å; M137-L141 WeakPolarHBondContact O-CB 3.48Å; M137-L141 VanDerWaalsContact O-CG 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.24Å; M137-L141 PolarHBondContact O-N 2.89Å; M137-L147 HydrophobicContact CE-CD2 4.41Å; M137-V159 HydrophobicContact CE-CG1 3.52Å; M137-V159 HydrophobicContact SD-CG1 3.94Å; M137-L163 HydrophobicContact CE-CD1 4.08Å; M137-L163 HydrophobicContact SD-CD1 4.05Å; M137-V182 HydrophobicContact CB-CG2 3.91Å; M137-W185 HydrophobicContact CE-CE3 4.21Å; M137-W185 HydrophobicContact CE-CH2 4.17Å; M137-W185 HydrophobicContact CE-CZ3 3.94Å
138N98.3Very high97.5Very high26 Ų2650.7 Ų50.714%0.13928%0.275CS..Hα-helixtrans-61.9-39.4179.6-168.969.7000111.8L134 K135 F136 S142 Y179 H181 V182L134-N138 WeakPolarHBondContact O-CB 2.98Å; L134-N138 PolarHBondContact O-N 2.97Å; K135-N138 PolarHBondContact O-N 3.32Å; F136-N138 PolarHBondContact O-N 2.95Å; N138-S142 PolarHBondContact O-N 3.16Å; N138-S142 VanDerWaalsContact O-N 3.16Å; N138-Y179 HydrophobicContact CB-CD1 3.92Å; N138-Y179 VanDerWaalsContact OD1-CA 3.29Å; N138-Y179 WeakPolarHBondContact OD1-CA 3.47Å; N138-Y179 PolarHBondContact OD1-O 3.08Å; N138-H181 PolarHBondContact O-CD2 3.28Å; N138-H181 WeakPolarHBondContact OD1-CB 3.17Å; N138-H181 PolarHBondContact OD1-N 3.21Å; N138-V182 HydrophobicContact CB-CG2 3.79Å; N138-V182 PolarHBondContact OD1-N 2.93Å
139E98.2Very high97.3Very high99 Ų9949.5 Ų49.546%0.46327%0.27SS..Hα-helixtrans-64.8-43.3174.7-71.1172.3-168.500111.9K135 F136 M137 S142K135-E139 VanDerWaalsContact CE-OE1 3.29Å; K135-E139 WeakPolarHBondContact CE-OE1 3.32Å; K135-E139 WeakPolarHBondContact O-CG 3.43Å; K135-E139 PolarHBondContact O-N 3.28Å; K135-E139 VanDerWaalsContact O-N 3.07Å; F136-E139 PolarHBondContact O-N 3.42Å; M137-E139 VanDerWaalsContact C-N 3.3Å; M137-E139 PolarHBondContact O-N 2.85Å; E139-S142 PolarHBondContact O-OG 3.25Å
140Q97.1Very high97.2Very high78 Ų7854.8 Ų54.836%0.36430%0.295SS..Hα-helixtrans-66.8-50.8177.3-63.9-60.4-54.100111.8F136 M137 S142 K143F136-Q140 HydrophobicContact CD2-CG 4.21Å; F136-Q140 HydrophobicContact CE2-CG 3.73Å; F136-Q140 HydrophobicContact CZ-CG 3.93Å; F136-Q140 WeakPolarHBondContact O-CG 3.4Å; F136-Q140 PolarHBondContact O-N 3.33Å; F136-Q140 VanDerWaalsContact O-N 3.11Å; M137-Q140 PolarHBondContact O-N 2.72Å; Q140-S142 PolarHBondContact O-N 3.14Å; Q140-S142 VanDerWaalsContact O-N 3.12Å; Q140-K143 PolarHBondContact O-N 3.12Å
141L98.3Very high97.1Very high0 Ų062.7 Ų62.70%033%0.325CS..Hα-helixtrans-67-11.4-177.4-69168000113.6M137 K143 I144 L147 H181 V182 R184 W185M137-L141 HydrophobicContact CB-CD1 4.29Å; M137-L141 HydrophobicContact CE-CD1 4.17Å; M137-L141 VanDerWaalsContact O-CB 3.26Å; M137-L141 WeakPolarHBondContact O-CB 3.48Å; M137-L141 VanDerWaalsContact O-CG 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.24Å; M137-L141 PolarHBondContact O-N 2.89Å; L141-K143 PolarHBondContact O-N 3.31Å; L141-I144 HydrophobicContact CD2-CG1 4.16Å; L141-L147 HydrophobicContact CD2-CD2 3.97Å; L141-L147 HydrophobicContact CG-CD2 4.44Å; L141-H181 HydrophobicContact CB-CB 3.85Å; L141-V182 HydrophobicContact CD1-CG2 4.13Å; L141-R184 PolarHBondContact O-NH1 2.85Å; L141-R184 VanDerWaalsContact O-NH1 3.16Å; L141-W185 HydrophobicContact CD1-CB 3.7Å; L141-W185 HydrophobicContact CD1-CD2 4.12Å; L141-W185 HydrophobicContact CD1-CE3 4.38Å; L141-W185 HydrophobicContact CD1-CG 3.81Å; L141-W185 HydrophobicContact CD2-CB 4.03Å; L141-W185 HydrophobicContact CD2-CG 3.85Å; L141-W185 HydrophobicContact CG-CB 4.41Å
142S97.9Very high97.1Very high58 Ų5860.8 Ų60.841%0.40631%0.31SS..THydrogen-bonded Turntrans-63.9-22.6168.574.40000112.9N138 E139 Q140 H181N138-S142 PolarHBondContact O-N 3.16Å; N138-S142 VanDerWaalsContact O-N 3.16Å; E139-S142 PolarHBondContact O-OG 3.25Å; Q140-S142 PolarHBondContact O-N 3.14Å; Q140-S142 VanDerWaalsContact O-N 3.12Å; S142-H181 VanDerWaalsContact CB-CD2 3.48Å; S142-H181 WeakPolarHBondContact CB-CD2 3.38Å; S142-H181 WeakPolarHBondContact CB-NE2 3.47Å
143K97.1Very high97.1Very high173 Ų17357 Ų5775%0.75228%0.284SS*.THydrogen-bonded Turntrans-111.6-14.6-174.9-59.5169.5-169.91730113.6Q140 L141Q140-K143 PolarHBondContact O-N 3.12Å; L141-K143 PolarHBondContact O-N 3.31Å
144I97.2Very high97.1Very high62 Ų6257.5 Ų57.532%0.31829%0.287SS..  trans-135.5152.3-17267.3-173.1000111.6L141 F146 R184L141-I144 HydrophobicContact CD2-CG1 4.16Å; I144-F146 VanDerWaalsContact CD1-O 3.3Å; I144-F146 WeakPolarHBondContact CD1-O 3.42Å; I144-F146 WeakPolarHBondContact CG1-O 3.49Å; I144-R184 PolarHBondContact O-NH1 2.86Å; I144-R184 PolarHBondContact O-NH2 2.83Å
145T97.1Very high97.1Very high77 Ų7757.5 Ų57.547%0.47229%0.286SS..SBendtrans-84.7-45.8177.8-540000111.7R184T145-R184 PolarHBondContact O-NH2 3.4Å
146F98Very high97.2Very high28 Ų2851.5 Ų51.512%0.12326%0.26CS..SBendtrans-119.5160.8178.9-59.2-71.3000110.2I144 V148 D150 R151 L152 D156 T188 I189I144-F146 VanDerWaalsContact CD1-O 3.3Å; I144-F146 WeakPolarHBondContact CD1-O 3.42Å; I144-F146 WeakPolarHBondContact CG1-O 3.49Å; F146-V148 VanDerWaalsContact C-N 3.29Å; F146-V148 PolarHBondContact O-N 3.44Å; F146-D150 WeakPolarHBondContact CD2-O 3.39Å; F146-R151 VanDerWaalsContact CD2-C 3.45Å; F146-R151 VanDerWaalsContact CD2-CA 3.48Å; F146-L152 HydrophobicContact CD1-CB 3.87Å; F146-L152 HydrophobicContact CE1-CB 3.73Å; F146-L152 HydrophobicContact CZ-CB 4.25Å; F146-D156 WeakPolarHBondContact CA-OD1 3.33Å; F146-T188 HydrophobicContact CE1-CG2 4.33Å; F146-I189 HydrophobicContact CD1-CD1 3.83Å; F146-I189 HydrophobicContact CE1-CD1 3.77Å
147L98Very high97.2Very high11 Ų1147.9 Ų47.96%0.05824%0.244CC..SBendtrans-67.7-27.4-175.1-68.2176.9000113.5W93 M137 L141 A155 D156 V159 W185W93-L147 HydrophobicContact CD2-CB 4.45Å; W93-L147 HydrophobicContact CD2-CD1 4.06Å; W93-L147 HydrophobicContact CD2-CD2 4.42Å; W93-L147 HydrophobicContact CE3-CD1 4.18Å; W93-L147 HydrophobicContact CG-CB 4.4Å; W93-L147 HydrophobicContact CG-CD1 4.33Å; W93-L147 HydrophobicContact CH2-CD2 4.02Å; W93-L147 HydrophobicContact CZ2-CD2 3.8Å; W93-L147 HydrophobicContact CZ3-CD2 4.42Å; W93-L147 PolarHBondContact NE1-O 3.4Å; M137-L147 HydrophobicContact CE-CD2 4.41Å; L141-L147 HydrophobicContact CD2-CD2 3.97Å; L141-L147 HydrophobicContact CG-CD2 4.44Å; L147-A155 HydrophobicContact CB-CB 4.1Å; L147-A155 HydrophobicContact CD1-CB 4.39Å; L147-D156 WeakPolarHBondContact CG-OD1 3.42Å; L147-D156 PolarHBondContact N-OD1 3.02Å; L147-V159 HydrophobicContact CD1-CB 3.85Å; L147-V159 HydrophobicContact CD1-CG1 4.31Å; L147-V159 HydrophobicContact CD1-CG2 3.66Å; L147-W185 HydrophobicContact CD1-CZ2 4.04Å; L147-W185 HydrophobicContact CG-CZ2 4.46Å
148V97.3Very high97.2Very high12 Ų1247.9 Ų47.97%0.07324%0.244CC..SBendtrans-137.5115.6179.9-176.60000110.6N86 F89 V90 F146 A155N86-V148 HydrophobicContact CB-CG1 3.74Å; F89-V148 HydrophobicContact CB-CG1 3.97Å; F89-V148 HydrophobicContact CB-CG2 3.93Å; V90-V148 HydrophobicContact CG2-CB 4.18Å; V90-V148 HydrophobicContact CG2-CG1 3.95Å; V90-V148 HydrophobicContact CG2-CG2 4.12Å; F146-V148 VanDerWaalsContact C-N 3.29Å; F146-V148 PolarHBondContact O-N 3.44Å; V148-A155 HydrophobicContact CG2-CB 3.78Å
149G93.2Very high97.2Very high39 Ų3946.6 Ų46.640%0.40224%0.238SC..THydrogen-bonded Turntrans64.9-158.1-178.700000113.1
150D93.1Very high97.2Very high155 Ų15541.9 Ų41.983%0.82922%0.216SC*.THydrogen-bonded Turntrans-98.56.2-172.7-54.5-46.2000113.7F146F146-D150 WeakPolarHBondContact CD2-O 3.39Å
151R95Very high97.1Very high166 Ų16638.2 Ų38.263%0.62620%0.199SC*.SBendtrans-136.5149.1-179.2-66.2-169.7-70.9-166.6-1.6111.3F146 S153F146-R151 VanDerWaalsContact CD2-C 3.45Å; F146-R151 VanDerWaalsContact CD2-CA 3.48Å; R151-S153 PolarHBondContact O-N 3.19Å
152L96.8Very high97.1Very high9 Ų938.2 Ų38.25%0.04720%0.199CC..  trans-52.4127.4176.2-178.9157.9000110.9F25 Q80 L81 F146 D156 I157 I189 Q192F25-L152 HydrophobicContact CE1-CD2 4.46Å; F25-L152 HydrophobicContact CE2-CD2 3.87Å; F25-L152 HydrophobicContact CZ-CD1 4Å; F25-L152 HydrophobicContact CZ-CD2 3.79Å; F25-L152 HydrophobicContact CZ-CG 4.49Å; Q80-L152 PolarHBondContact NE2-O 2.94Å; L81-L152 HydrophobicContact CD2-CD2 3.66Å; L81-L152 WeakPolarHBondContact CD2-O 3.43Å; F146-L152 HydrophobicContact CD1-CB 3.87Å; F146-L152 HydrophobicContact CE1-CB 3.73Å; F146-L152 HydrophobicContact CZ-CB 4.25Å; L152-D156 HydrophobicContact CG-CB 4.09Å; L152-I157 HydrophobicContact CD2-CD1 3.81Å; L152-I157 HydrophobicContact CD2-CG1 3.71Å; L152-I189 HydrophobicContact CD1-CD1 3.64Å; L152-I189 HydrophobicContact CD1-CG2 4.31Å; L152-I189 HydrophobicContact CG-CD1 4.11Å; L152-Q192 HydrophobicContact CD1-CG 3.73Å
153S97.9Very high97.1Very high1 Ų135.5 Ų35.51%0.00718%0.179CC..  trans-122.5178.818068.30000112R151 A155 D156 I157R151-S153 PolarHBondContact O-N 3.19Å; S153-A155 PolarHBondContact O-N 3.19Å; S153-A155 VanDerWaalsContact O-N 3.15Å; S153-A155 WeakPolarHBondContact OG-CB 3.3Å; S153-A155 PolarHBondContact OG-N 2.64Å; S153-D156 PolarHBondContact N-OD2 2.75Å; S153-D156 PolarHBondContact O-N 2.63Å; S153-D156 PolarHBondContact OG-OD2 3.14Å; S153-D156 VanDerWaalsContact OG-OD2 3.13Å; S153-I157 PolarHBondContact O-N 2.62Å
154Q97.6Very high97Very high11 Ų1128.1 Ų28.15%0.05115%0.147CC..Hα-helixtrans-59.7-23.7172.6-168.459.642.700112.3L81 V90 V94 T158L81-Q154 WeakPolarHBondContact O-CB 3.33Å; L81-Q154 PolarHBondContact O-N 3.41Å; V90-Q154 HydrophobicContact CG1-CB 3.78Å; V94-Q154 HydrophobicContact CG2-CG 4.23Å; Q154-T158 PolarHBondContact NE2-OG1 3.39Å; Q154-T158 WeakPolarHBondContact O-CB 3.09Å; Q154-T158 PolarHBondContact O-N 2.81Å; Q154-T158 PolarHBondContact O-OG1 2.92Å
155A98.3Very high96.9Very high0 Ų025.7 Ų25.70%014%0.136CC..Hα-helixtrans-60.1-50.1171.800000111W93 L147 V148 S153 T158 V159W93-A155 HydrophobicContact CB-CB 3.52Å; W93-A155 HydrophobicContact CG-CB 3.98Å; L147-A155 HydrophobicContact CB-CB 4.1Å; L147-A155 HydrophobicContact CD1-CB 4.39Å; V148-A155 HydrophobicContact CG2-CB 3.78Å; S153-A155 PolarHBondContact O-N 3.19Å; S153-A155 VanDerWaalsContact O-N 3.15Å; S153-A155 WeakPolarHBondContact OG-CB 3.3Å; S153-A155 PolarHBondContact OG-N 2.64Å; A155-T158 PolarHBondContact O-N 3.05Å; A155-V159 WeakPolarHBondContact O-CG2 3.42Å; A155-V159 PolarHBondContact O-N 3.49Å
156D98.5Very high96.9Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-62.7-47.7-179.4-59.4-84.2000111.2F146 L147 L152 S153 T158 F160 W185 I189F146-D156 WeakPolarHBondContact CA-OD1 3.33Å; L147-D156 WeakPolarHBondContact CG-OD1 3.42Å; L147-D156 PolarHBondContact N-OD1 3.02Å; L152-D156 HydrophobicContact CG-CB 4.09Å; S153-D156 PolarHBondContact N-OD2 2.75Å; S153-D156 PolarHBondContact O-N 2.63Å; S153-D156 PolarHBondContact OG-OD2 3.14Å; S153-D156 VanDerWaalsContact OG-OD2 3.13Å; D156-T158 VanDerWaalsContact C-N 3.3Å; D156-T158 PolarHBondContact O-N 3.13Å; D156-F160 WeakPolarHBondContact O-CB 3.48Å; D156-F160 PolarHBondContact O-N 3.13Å; D156-W185 HydrophobicContact CB-CZ2 4.43Å; D156-W185 PolarHBondContact OD1-NE1 2.83Å; D156-I189 HydrophobicContact CB-CD1 3.87Å; D156-I189 HydrophobicContact CB-CG1 4.4Å
157I98Very high96.8Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-58.2-44.5178.3-62.1168.8000110.8R18 I21 F25 L81 L152 S153 F160 T161R18-I157 HydrophobicContact CB-CG2 4.37Å; R18-I157 HydrophobicContact CG-CG2 4.39Å; I21-I157 HydrophobicContact CB-CG2 4.12Å; I21-I157 HydrophobicContact CD1-CG2 4.04Å; I21-I157 HydrophobicContact CG2-CD1 3.72Å; I21-I157 HydrophobicContact CG2-CG1 3.96Å; I21-I157 HydrophobicContact CG2-CG2 4.11Å; F25-I157 HydrophobicContact CD2-CD1 4.34Å; F25-I157 HydrophobicContact CE2-CD1 4.33Å; L81-I157 HydrophobicContact CD1-CD1 4.06Å; L81-I157 HydrophobicContact CD2-CD1 3.97Å; L152-I157 HydrophobicContact CD2-CD1 3.81Å; L152-I157 HydrophobicContact CD2-CG1 3.71Å; S153-I157 PolarHBondContact O-N 2.62Å; I157-F160 PolarHBondContact O-N 3.48Å; I157-T161 WeakPolarHBondContact O-CB 3.38Å; I157-T161 VanDerWaalsContact O-CG2 3.29Å; I157-T161 WeakPolarHBondContact O-CG2 3.4Å; I157-T161 PolarHBondContact O-N 3.3Å; I157-T161 PolarHBondContact O-OG1 3.49Å
158T98Very high96.7Very high0 Ų021.7 Ų21.70%011%0.114CC..Hα-helixtrans-70.4-45.6-174.9-60.30000111.7V94 A97 Q154 A155 D156 T161 A162V94-T158 HydrophobicContact CB-CG2 4.3Å; V94-T158 HydrophobicContact CG1-CG2 4.27Å; V94-T158 HydrophobicContact CG2-CG2 4.18Å; A97-T158 HydrophobicContact CB-CG2 3.7Å; Q154-T158 PolarHBondContact NE2-OG1 3.39Å; Q154-T158 WeakPolarHBondContact O-CB 3.09Å; Q154-T158 PolarHBondContact O-N 2.81Å; Q154-T158 PolarHBondContact O-OG1 2.92Å; A155-T158 PolarHBondContact O-N 3.05Å; D156-T158 VanDerWaalsContact C-N 3.3Å; D156-T158 PolarHBondContact O-N 3.13Å; T158-T161 PolarHBondContact O-OG1 3.28Å; T158-A162 WeakPolarHBondContact O-CB 3.5Å; T158-A162 PolarHBondContact O-N 3.39Å; T158-A162 VanDerWaalsContact O-N 3.11Å
159V98.1Very high96.6Very high0 Ų024.3 Ų24.30%013%0.125CC..Hα-helixtrans-68.6-37.7176.3179.90000110.8W93 A97 I101 M137 L147 A155 A162 L163 W185W93-V159 HydrophobicContact CB-CG2 4.47Å; W93-V159 HydrophobicContact CE3-CG2 3.92Å; A97-V159 HydrophobicContact CB-CG2 4.05Å; I101-V159 HydrophobicContact CD1-CG1 3.96Å; I101-V159 HydrophobicContact CD1-CG2 4.45Å; M137-V159 HydrophobicContact CE-CG1 3.52Å; M137-V159 HydrophobicContact SD-CG1 3.94Å; L147-V159 HydrophobicContact CD1-CB 3.85Å; L147-V159 HydrophobicContact CD1-CG1 4.31Å; L147-V159 HydrophobicContact CD1-CG2 3.66Å; A155-V159 WeakPolarHBondContact O-CG2 3.42Å; A155-V159 PolarHBondContact O-N 3.49Å; V159-A162 PolarHBondContact O-N 3.09Å; V159-L163 HydrophobicContact CG1-CD1 3.86Å; V159-L163 HydrophobicContact CG1-CG 4.39Å; V159-L163 PolarHBondContact O-N 2.98Å; V159-W185 HydrophobicContact CB-CH2 3.93Å; V159-W185 HydrophobicContact CB-CZ2 4.19Å; V159-W185 HydrophobicContact CG1-CH2 3.65Å; V159-W185 HydrophobicContact CG1-CZ2 4.26Å; V159-W185 HydrophobicContact CG1-CZ3 4.37Å
160F98.1Very high96.7Very high0 Ų022.5 Ų22.50%011%0.106CC..Hα-helixtrans-60.6-52.6177.3169-98.7000111.1D156 I157 A162 L163 H164 W185 Y186 I189 A190 V195 V199D156-F160 WeakPolarHBondContact O-CB 3.48Å; D156-F160 PolarHBondContact O-N 3.13Å; I157-F160 PolarHBondContact O-N 3.48Å; F160-A162 VanDerWaalsContact C-N 3.26Å; F160-A162 PolarHBondContact O-N 3.24Å; F160-L163 PolarHBondContact O-N 3.38Å; F160-H164 AromaticContact CZ-ND1 4Å; F160-H164 WeakPolarHBondContact O-CB 3.44Å; F160-H164 PolarHBondContact O-N 3.18Å; F160-W185 HydrophobicContact CB-CH2 4Å; F160-W185 HydrophobicContact CB-CZ2 4.31Å; F160-Y186 AromaticContact CD2-CD2 3.56Å; F160-Y186 HydrophobicContact CD2-CD2 3.56Å; F160-Y186 AromaticContact CD2-CE2 3.61Å; F160-Y186 HydrophobicContact CD2-CE2 3.61Å; F160-Y186 HydrophobicContact CD2-CG 4.36Å; F160-Y186 AromaticContact CE2-CD2 3.62Å; F160-Y186 HydrophobicContact CE2-CD2 3.62Å; F160-Y186 HydrophobicContact CE2-CE1 4.35Å; F160-Y186 AromaticContact CE2-CE2 3.3Å; F160-Y186 HydrophobicContact CE2-CE2 3.3Å; F160-Y186 HydrophobicContact CE2-CG 4.27Å; F160-Y186 AromaticContact CE2-CZ 3.72Å; F160-Y186 HydrophobicContact CZ-CE2 4.21Å; F160-I189 HydrophobicContact CB-CB 4.47Å; F160-I189 HydrophobicContact CB-CG2 3.82Å; F160-I189 HydrophobicContact CD1-CG2 4.04Å; F160-I189 HydrophobicContact CD2-CB 3.88Å; F160-I189 HydrophobicContact CD2-CG2 3.76Å; F160-I189 HydrophobicContact CE2-CB 4.41Å; F160-I189 HydrophobicContact CE2-CG2 4.35Å; F160-I189 HydrophobicContact CG-CB 4.2Å; F160-I189 HydrophobicContact CG-CG2 3.58Å; F160-A190 HydrophobicContact CE2-CB 3.75Å; F160-A190 HydrophobicContact CZ-CB 3.97Å; F160-V195 HydrophobicContact CD1-CG1 4.37Å; F160-V195 HydrophobicContact CE1-CG1 3.59Å; F160-V195 HydrophobicContact CZ-CG1 3.9Å; F160-V199 HydrophobicContact CE1-CG2 4.28Å
161T96.8Very high96.7Very high1 Ų115.5 Ų15.51%0.0067%0.068CC..Hα-helixtrans-62.7-32.9178.851.90000112.4W17 R18 I21 I157 T158W17-T161 HydrophobicContact CB-CG2 3.96Å; W17-T161 HydrophobicContact CE3-CG2 4.4Å; R18-T161 HydrophobicContact CG-CG2 4.07Å; R18-T161 VanDerWaalsContact CG-OG1 3.3Å; R18-T161 WeakPolarHBondContact CG-OG1 3.31Å; R18-T161 PolarHBondContact NE-OG1 3.42Å; R18-T161 VanDerWaalsContact NE-OG1 3.12Å; I21-T161 HydrophobicContact CD1-CG2 4.21Å; I157-T161 WeakPolarHBondContact O-CB 3.38Å; I157-T161 VanDerWaalsContact O-CG2 3.29Å; I157-T161 WeakPolarHBondContact O-CG2 3.4Å; I157-T161 PolarHBondContact O-N 3.3Å; I157-T161 PolarHBondContact O-OG1 3.49Å; T158-T161 PolarHBondContact O-OG1 3.28Å
162A96.9Very high96.8Very high0 Ų010.6 Ų10.60%05%0.052CC..Hα-helixtrans-69.4-40175.300000113A97 I101 L102 T158 V159 F160A97-A162 HydrophobicContact CB-CB 4.41Å; I101-A162 HydrophobicContact CB-CB 4.49Å; I101-A162 HydrophobicContact CG2-CB 4.09Å; L102-A162 HydrophobicContact CB-CB 4.08Å; T158-A162 WeakPolarHBondContact O-CB 3.5Å; T158-A162 PolarHBondContact O-N 3.39Å; T158-A162 VanDerWaalsContact O-N 3.11Å; V159-A162 PolarHBondContact O-N 3.09Å; F160-A162 VanDerWaalsContact C-N 3.26Å; F160-A162 PolarHBondContact O-N 3.24Å
163L97.4Very high96.7Very high0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-85.2-14.4179.4-70.1175.3000113.6I101 V105 L134 M137 V159 F160 L166 F167 W185I101-L163 HydrophobicContact CG2-CD2 3.46Å; I101-L163 VanDerWaalsContact CG2-CD2 3.46Å; I101-L163 HydrophobicContact CG2-CG 3.87Å; V105-L163 HydrophobicContact CG2-CD2 4.22Å; L134-L163 HydrophobicContact CD2-CD1 4.33Å; L134-L163 HydrophobicContact CD2-CD2 4.38Å; M137-L163 HydrophobicContact CE-CD1 4.08Å; M137-L163 HydrophobicContact SD-CD1 4.05Å; V159-L163 HydrophobicContact CG1-CD1 3.86Å; V159-L163 HydrophobicContact CG1-CG 4.39Å; V159-L163 PolarHBondContact O-N 2.98Å; F160-L163 PolarHBondContact O-N 3.38Å; L163-L166 HydrophobicContact CD2-CD2 3.9Å; L163-L166 VanDerWaalsContact O-CB 3.23Å; L163-L166 WeakPolarHBondContact O-CB 3.49Å; L163-L166 PolarHBondContact O-N 2.83Å; L163-F167 HydrophobicContact CB-CD2 4.04Å; L163-F167 HydrophobicContact CB-CE2 3.89Å; L163-F167 HydrophobicContact CD1-CE2 4.24Å; L163-F167 WeakPolarHBondContact O-CD2 3.19Å; L163-F167 PolarHBondContact O-N 2.92Å; L163-W185 HydrophobicContact CD1-CZ3 4.09Å
164H96.5Very high96.6Very high18 Ų1820.8 Ų20.88%0.08310%0.104CC..Hα-helixtrans-54.6-49.9-176-18087.9000113.3W17 F160 L166 F167 T168 Y186 S202W17-H164 AromaticContact CH2-CD2 3.81Å; W17-H164 AromaticContact CH2-NE2 3.81Å; W17-H164 AromaticContact CZ3-CD2 3.44Å; W17-H164 VanDerWaalsContact CZ3-CD2 3.44Å; W17-H164 WeakPolarHBondContact CZ3-CD2 3.32Å; W17-H164 AromaticContact CZ3-CG 3.94Å; W17-H164 AromaticContact CZ3-NE2 3.79Å; F160-H164 AromaticContact CZ-ND1 4Å; F160-H164 WeakPolarHBondContact O-CB 3.44Å; F160-H164 PolarHBondContact O-N 3.18Å; H164-L166 PolarHBondContact O-N 3.49Å; H164-F167 PolarHBondContact O-N 3.07Å; H164-F167 VanDerWaalsContact O-N 3.16Å; H164-T168 WeakPolarHBondContact O-CG2 3.45Å; H164-T168 PolarHBondContact O-N 3.01Å; H164-T168 VanDerWaalsContact O-N 3.08Å; H164-T168 PolarHBondContact O-OG1 3.41Å; H164-T168 VanDerWaalsContact O-OG1 3.07Å; H164-Y186 HydrophobicContact CB-CE2 4.42Å; H164-Y186 AromaticContact ND1-CZ 3.93Å; H164-Y186 PolarHBondContact ND1-OH 3.22Å; H164-S202 PolarHBondContact CE1-OG 3.43Å; H164-S202 VanDerWaalsContact CE1-OG 3.31Å
165P94Very high96.4Very high11 Ų1123.2 Ų23.27%0.07112%0.117CC..Hα-helixtrans-61.8-28.7178.3-21.633.7000113.7V105 V109 H169V105-P165 HydrophobicContact CG1-CB 4.08Å; V105-P165 HydrophobicContact CG1-CG 4.44Å; V109-P165 HydrophobicContact CG1-CB 4.02Å; V109-P165 HydrophobicContact CG2-CB 4.42Å; P165-H169 VanDerWaalsContact O-CB 3.3Å; P165-H169 WeakPolarHBondContact O-CB 3.33Å; P165-H169 PolarHBondContact O-CD2 3.11Å; P165-H169 PolarHBondContact O-N 3.28Å; P165-H169 VanDerWaalsContact O-N 3.11Å
166L96.8Very high96.3Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-63.6-52.9175.6178.776.4000109.9V105 W108 I130 L134 L163 H164 T168 V170 Y171V105-L166 HydrophobicContact CG1-CB 4.07Å; V105-L166 HydrophobicContact CG2-CB 4.14Å; W108-L166 HydrophobicContact CD2-CD1 4.39Å; W108-L166 HydrophobicContact CE3-CD1 3.64Å; W108-L166 HydrophobicContact CH2-CD1 4.27Å; W108-L166 HydrophobicContact CZ3-CD1 3.58Å; I130-L166 HydrophobicContact CG2-CD1 4.19Å; I130-L166 HydrophobicContact CG2-CD2 3.63Å; L134-L166 HydrophobicContact CD1-CD2 4.26Å; L163-L166 HydrophobicContact CD2-CD2 3.9Å; L163-L166 VanDerWaalsContact O-CB 3.23Å; L163-L166 WeakPolarHBondContact O-CB 3.49Å; L163-L166 PolarHBondContact O-N 2.83Å; H164-L166 PolarHBondContact O-N 3.49Å; L166-T168 VanDerWaalsContact C-N 3.33Å; L166-T168 PolarHBondContact O-N 2.8Å; L166-V170 HydrophobicContact CD1-CG2 3.64Å; L166-V170 PolarHBondContact O-N 2.86Å; L166-V170 VanDerWaalsContact O-N 3.14Å; L166-Y171 HydrophobicContact CD1-CD2 4.04Å; L166-Y171 HydrophobicContact CD1-CG 4.43Å; L166-Y171 HydrophobicContact CD2-CD2 4.41Å; L166-Y171 HydrophobicContact CD2-CG 4.45Å; L166-Y171 HydrophobicContact CG-CD2 4.21Å; L166-Y171 HydrophobicContact CG-CG 4.16Å; L166-Y171 VanDerWaalsContact O-CB 3.29Å; L166-Y171 WeakPolarHBondContact O-CB 3.42Å; L166-Y171 PolarHBondContact O-N 2.75Å
167F97.2Very high96.2Very high2 Ų230.6 Ų30.61%0.00915%0.148CC..Hα-helixtrans-70.8-24.6-176-75.7-62.2000114.1L134 L163 H164 Y171 R176 V182 Y186 F204 C205L134-F167 HydrophobicContact CD2-CZ 4.34Å; L163-F167 HydrophobicContact CB-CD2 4.04Å; L163-F167 HydrophobicContact CB-CE2 3.89Å; L163-F167 HydrophobicContact CD1-CE2 4.24Å; L163-F167 WeakPolarHBondContact O-CD2 3.19Å; L163-F167 PolarHBondContact O-N 2.92Å; H164-F167 PolarHBondContact O-N 3.07Å; H164-F167 VanDerWaalsContact O-N 3.16Å; F167-Y171 HydrophobicContact CD1-CD1 4.17Å; F167-Y171 AromaticContact CE1-CD1 3.91Å; F167-Y171 HydrophobicContact CE1-CD1 3.91Å; F167-Y171 HydrophobicContact CE1-CE1 4.42Å; F167-R176 HydrophobicContact CD1-CG 4.22Å; F167-R176 HydrophobicContact CE1-CG 4.13Å; F167-V182 HydrophobicContact CE2-CG1 4.34Å; F167-V182 HydrophobicContact CZ-CG1 3.87Å; F167-Y186 HydrophobicContact CB-CE1 4.32Å; F167-Y186 HydrophobicContact CB-CE2 4.21Å; F167-Y186 AromaticContact CD2-CD2 3.5Å; F167-Y186 HydrophobicContact CD2-CD2 3.5Å; F167-Y186 AromaticContact CD2-CE2 3.63Å; F167-Y186 HydrophobicContact CD2-CE2 3.63Å; F167-Y186 AromaticContact CD2-CG 3.98Å; F167-Y186 HydrophobicContact CD2-CG 3.98Å; F167-Y186 AromaticContact CE2-CD2 3.88Å; F167-Y186 HydrophobicContact CE2-CD2 3.88Å; F167-Y186 HydrophobicContact CE2-CE2 4.44Å; F167-Y186 HydrophobicContact CE2-CG 4.2Å; F167-Y186 HydrophobicContact CG-CD2 4.33Å; F167-Y186 HydrophobicContact CG-CE2 4.25Å; F167-F204 HydrophobicContact CB-CD1 4.09Å; F167-F204 HydrophobicContact CB-CE1 4.21Å; F167-F204 HydrophobicContact CD1-CD1 4.29Å; F167-F204 HydrophobicContact CD1-CE1 4.08Å; F167-F204 HydrophobicContact CG-CD1 4.49Å; F167-F204 HydrophobicContact CG-CE1 4.25Å; F167-C205 VanDerWaalsContact O-CB 3.3Å; F167-C205 WeakPolarHBondContact O-CB 3.45Å; F167-C205 PolarHBondContact O-N 2.93Å
168T95.6Very high96.1Very high30 Ų3034.3 Ų34.318%0.18417%0.174CC..Hα-helixtrans-94.3-22-179.858.10000113.7H164 L166H164-T168 WeakPolarHBondContact O-CG2 3.45Å; H164-T168 PolarHBondContact O-N 3.01Å; H164-T168 VanDerWaalsContact O-N 3.08Å; H164-T168 PolarHBondContact O-OG1 3.41Å; H164-T168 VanDerWaalsContact O-OG1 3.07Å; L166-T168 VanDerWaalsContact C-N 3.33Å; L166-T168 PolarHBondContact O-N 2.8Å
169H94.2Very high96.1Very high67 Ų6736 Ų3631%0.3118%0.181SC..Hα-helixtrans-117.3-36.8-174.5-63.2-62.2000116.9V109 P165 C205 A209V109-H169 HydrophobicContact CG1-CB 3.99Å; P165-H169 VanDerWaalsContact O-CB 3.3Å; P165-H169 WeakPolarHBondContact O-CB 3.33Å; P165-H169 PolarHBondContact O-CD2 3.11Å; P165-H169 PolarHBondContact O-N 3.28Å; P165-H169 VanDerWaalsContact O-N 3.11Å; H169-C205 PolarHBondContact O-SG 3.39Å; H169-C205 VanDerWaalsContact O-SG 3.38Å; H169-A209 HydrophobicContact CB-CB 4.42Å; H169-A209 VanDerWaalsContact O-CB 3.31Å; H169-A209 WeakPolarHBondContact O-CB 3.28Å; H169-A209 PolarHBondContact O-N 3.41Å
170V95Very high96.1Very high1 Ų139.4 Ų39.41%0.00620%0.203CC..THydrogen-bonded Turntrans-130.4-15.5-166.7-59.60000115.3W108 V109 C112 L166 A208 A209W108-V170 HydrophobicContact CD2-CG2 3.94Å; W108-V170 HydrophobicContact CE3-CG2 4.4Å; W108-V170 HydrophobicContact CG-CG2 4.31Å; W108-V170 HydrophobicContact CH2-CG2 4.49Å; W108-V170 HydrophobicContact CZ2-CB 4.24Å; W108-V170 HydrophobicContact CZ2-CG2 4.01Å; V109-V170 HydrophobicContact CG2-CG1 4.09Å; V109-V170 HydrophobicContact CG2-CG2 3.72Å; C112-V170 HydrophobicContact CB-CG1 4.43Å; L166-V170 HydrophobicContact CD1-CG2 3.64Å; L166-V170 PolarHBondContact O-N 2.86Å; L166-V170 VanDerWaalsContact O-N 3.14Å; V170-A208 WeakPolarHBondContact O-CB 3.38Å; V170-A209 HydrophobicContact CG1-CB 4.41Å
171Y95.1Very high96.1Very high9 Ų942.6 Ų42.64%0.03522%0.218CC..  trans-102.6100.2-171.6-150.4-108.6000110.8W108 L134 L166 F167 D175 R176 Y179 C205W108-Y171 AromaticContact CH2-CD2 3.81Å; W108-Y171 HydrophobicContact CH2-CD2 3.81Å; W108-Y171 HydrophobicContact CH2-CE2 4.14Å; W108-Y171 HydrophobicContact CZ3-CD2 4.19Å; W108-Y171 HydrophobicContact CZ3-CE2 4.41Å; L134-Y171 HydrophobicContact CD1-CE1 3.94Å; L134-Y171 HydrophobicContact CD1-CE2 4.06Å; L134-Y171 WeakPolarHBondContact CD1-OH 3.32Å; L166-Y171 HydrophobicContact CD1-CD2 4.04Å; L166-Y171 HydrophobicContact CD1-CG 4.43Å; L166-Y171 HydrophobicContact CD2-CD2 4.41Å; L166-Y171 HydrophobicContact CD2-CG 4.45Å; L166-Y171 HydrophobicContact CG-CD2 4.21Å; L166-Y171 HydrophobicContact CG-CG 4.16Å; L166-Y171 VanDerWaalsContact O-CB 3.29Å; L166-Y171 WeakPolarHBondContact O-CB 3.42Å; L166-Y171 PolarHBondContact O-N 2.75Å; F167-Y171 HydrophobicContact CD1-CD1 4.17Å; F167-Y171 AromaticContact CE1-CD1 3.91Å; F167-Y171 HydrophobicContact CE1-CD1 3.91Å; F167-Y171 HydrophobicContact CE1-CE1 4.42Å; Y171-D175 HydrophobicContact CD1-CB 3.88Å; Y171-D175 HydrophobicContact CD2-CB 3.94Å; Y171-D175 HydrophobicContact CE1-CB 3.57Å; Y171-D175 HydrophobicContact CE2-CB 3.64Å; Y171-D175 HydrophobicContact CG-CB 4.04Å; Y171-D175 VanDerWaalsContact CZ-CB 3.43Å; Y171-D175 PolarHBondContact OH-O 3.48Å; Y171-R176 HydrophobicContact CD1-CG 3.57Å; Y171-R176 HydrophobicContact CE1-CG 4.01Å; Y171-R176 PolarHBondContact O-NH1 2.93Å; Y171-Y179 HydrophobicContact CE1-CD2 4.37Å; Y171-Y179 VanDerWaalsContact OH-CD2 3.3Å; Y171-Y179 WeakPolarHBondContact OH-CD2 3.43Å; Y171-Y179 WeakPolarHBondContact OH-CE2 3.33Å; Y171-C205 WeakPolarHBondContact O-CB 3.24Å
172E95.7Very high96.2Very high62 Ų6242.6 Ų42.629%0.2922%0.217SC..  trans-79.1175.2-168.7-64.4178.9142.500112.5N174 D175 R176 K207 A208E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 3.11Å; E172-D175 PolarHBondContact N-OD2 3.23Å; E172-D175 PolarHBondContact O-N 3.42Å; E172-R176 VanDerWaalsContact C-NH1 3.28Å; E172-R176 WeakPolarHBondContact O-CG 3.3Å; E172-R176 PolarHBondContact O-N 3.47Å; E172-R176 VanDerWaalsContact O-N 3.08Å; E172-K207 WeakPolarHBondContact OE1-CA 3.49Å; E172-A208 HydrophobicContact CG-CB 3.93Å; E172-A208 PolarHBondContact OE1-N 3.01Å
173E95.4Very high96.2Very high112 Ų11244.1 Ų44.152%0.52323%0.227SC..Hα-helixtrans-57-41.1-179.2-165.8-163.1128.900112.7D175 R176 K177E173-D175 VanDerWaalsContact C-N 3.34Å; E173-D175 PolarHBondContact O-N 3.43Å; E173-R176 VanDerWaalsContact CA-NH2 3.34Å; E173-R176 PolarHBondContact O-N 3.46Å; E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 3.37Å; E173-K177 WeakPolarHBondContact OE1-CE 3.39Å; E173-K177 IonicContact OE1-NZ 2.81Å; E173-K177 PolarHBondContact OE1-NZ 3.08Å
174N94.6Very high96.3Very high113 Ų11348 Ų4860%0.60424%0.242SC*.Hα-helixtrans-66.4-36.5-179.3-71.6-25.4000112.4E172 K177E172-N174 VanDerWaalsContact C-N 3.27Å; E172-N174 PolarHBondContact O-N 3.11Å; N174-K177 PolarHBondContact OD1-NZ 2.87Å; N174-K177 VanDerWaalsContact OD1-NZ 3.15Å
175D94.4Very high96.4Very high62 Ų6247.2 Ų47.233%0.33224%0.238SC..Hα-helixtrans-68.9-40.7176.2-53-59.3000111.1Y171 E172 E173 K177 S178Y171-D175 HydrophobicContact CD1-CB 3.88Å; Y171-D175 HydrophobicContact CD2-CB 3.94Å; Y171-D175 HydrophobicContact CE1-CB 3.57Å; Y171-D175 HydrophobicContact CE2-CB 3.64Å; Y171-D175 HydrophobicContact CG-CB 4.04Å; Y171-D175 VanDerWaalsContact CZ-CB 3.43Å; Y171-D175 PolarHBondContact OH-O 3.48Å; E172-D175 PolarHBondContact N-OD2 3.23Å; E172-D175 PolarHBondContact O-N 3.42Å; E173-D175 VanDerWaalsContact C-N 3.34Å; E173-D175 PolarHBondContact O-N 3.43Å; D175-K177 VanDerWaalsContact C-N 3.28Å; D175-K177 PolarHBondContact O-N 3.29Å; D175-S178 PolarHBondContact O-N 2.93Å
176R96.2Very high96.6Very high30 Ų3046.9 Ų46.911%0.11324%0.235CC..Hα-helixtrans-63.1-30.2179.8-72.2-171.6-55.1-97.56.9113.6F167 Y171 E172 E173 S178 Y179 V183 C205F167-R176 HydrophobicContact CD1-CG 4.22Å; F167-R176 HydrophobicContact CE1-CG 4.13Å; Y171-R176 HydrophobicContact CD1-CG 3.57Å; Y171-R176 HydrophobicContact CE1-CG 4.01Å; Y171-R176 PolarHBondContact O-NH1 2.93Å; E172-R176 VanDerWaalsContact C-NH1 3.28Å; E172-R176 WeakPolarHBondContact O-CG 3.3Å; E172-R176 PolarHBondContact O-N 3.47Å; E172-R176 VanDerWaalsContact O-N 3.08Å; E173-R176 VanDerWaalsContact CA-NH2 3.34Å; E173-R176 PolarHBondContact O-N 3.46Å; R176-S178 PolarHBondContact O-N 3.31Å; R176-S178 VanDerWaalsContact O-N 3.14Å; R176-Y179 PolarHBondContact O-N 3.46Å; R176-V183 HydrophobicContact CB-CG2 3.9Å; R176-V183 HydrophobicContact CG-CG2 4.26Å; R176-C205 PolarHBondContact NH1-O 3.34Å; R176-C205 PolarHBondContact NH2-O 2.92Å
177K95.9Very high96.6Very high124 Ų12449.3 Ų49.354%0.53925%0.25SS..THydrogen-bonded Turntrans-57-28.7-179.3-77.8170-174.21600113E173 N174 D175 Y179E173-K177 WeakPolarHBondContact O-CG 3.39Å; E173-K177 PolarHBondContact O-N 3.37Å; E173-K177 WeakPolarHBondContact OE1-CE 3.39Å; E173-K177 IonicContact OE1-NZ 2.81Å; E173-K177 PolarHBondContact OE1-NZ 3.08Å; N174-K177 PolarHBondContact OD1-NZ 2.87Å; N174-K177 VanDerWaalsContact OD1-NZ 3.15Å; D175-K177 VanDerWaalsContact C-N 3.28Å; D175-K177 PolarHBondContact O-N 3.29Å; K177-Y179 VanDerWaalsContact C-N 3.27Å; K177-Y179 PolarHBondContact O-N 2.65Å
178S96.4Very high96.7Very high79 Ų7951.4 Ų51.455%0.55226%0.263SS*.THydrogen-bonded Turntrans-73.6-14.6178.6-620000114.2D175 R176D175-S178 PolarHBondContact O-N 2.93Å; R176-S178 PolarHBondContact O-N 3.31Å; R176-S178 VanDerWaalsContact O-N 3.14Å
179Y97.7Very high96.8Very high35 Ų3550 Ų5014%0.13725%0.254CS..  trans-132.658.4-171.7-51.7-73.3000113S131 L134 K135 N138 Y171 R176 K177 H181 V182 V183S131-Y179 PolarHBondContact O-OH 3.37Å; L134-Y179 HydrophobicContact CB-CD1 3.88Å; L134-Y179 HydrophobicContact CB-CD2 4.1Å; L134-Y179 HydrophobicContact CB-CE1 3.89Å; L134-Y179 HydrophobicContact CB-CE2 4.14Å; L134-Y179 HydrophobicContact CB-CG 3.96Å; L134-Y179 HydrophobicContact CD1-CD2 4.18Å; L134-Y179 HydrophobicContact CD1-CE2 4.26Å; L134-Y179 WeakPolarHBondContact O-CD1 3.15Å; K135-Y179 HydrophobicContact CB-CE1 3.94Å; K135-Y179 VanDerWaalsContact N-CE1 3.35Å; N138-Y179 HydrophobicContact CB-CD1 3.92Å; N138-Y179 VanDerWaalsContact OD1-CA 3.29Å; N138-Y179 WeakPolarHBondContact OD1-CA 3.47Å; N138-Y179 PolarHBondContact OD1-O 3.08Å; Y171-Y179 HydrophobicContact CE1-CD2 4.37Å; Y171-Y179 VanDerWaalsContact OH-CD2 3.3Å; Y171-Y179 WeakPolarHBondContact OH-CD2 3.43Å; Y171-Y179 WeakPolarHBondContact OH-CE2 3.33Å; R176-Y179 PolarHBondContact O-N 3.46Å; K177-Y179 VanDerWaalsContact C-N 3.27Å; K177-Y179 PolarHBondContact O-N 2.65Å; Y179-H181 VanDerWaalsContact C-N 3.32Å; Y179-H181 PolarHBondContact O-N 3.43Å; Y179-V182 PolarHBondContact O-N 3.27Å; Y179-V182 VanDerWaalsContact O-N 3.17Å; Y179-V183 WeakPolarHBondContact O-CG2 3.27Å; Y179-V183 PolarHBondContact O-N 3.47Å
180P98.1Very high96.9Very high71 Ų7147 Ų4746%0.46124%0.242SC..Hα-helixtrans-61.3-34.3-17225.6-35.8000114.1V183 R184P180-V183 PolarHBondContact O-N 3.01Å; P180-R184 WeakPolarHBondContact O-CB 3.39Å; P180-R184 PolarHBondContact O-N 2.92Å
181H98.6Very high97Very high68 Ų6851.7 Ų51.732%0.31527%0.266SS..Hα-helixtrans-73.5-32.2180-54.9-61.4000112N138 L141 S142 Y179 W185N138-H181 PolarHBondContact O-CD2 3.28Å; N138-H181 WeakPolarHBondContact OD1-CB 3.17Å; N138-H181 PolarHBondContact OD1-N 3.21Å; L141-H181 HydrophobicContact CB-CB 3.85Å; S142-H181 VanDerWaalsContact CB-CD2 3.48Å; S142-H181 WeakPolarHBondContact CB-CD2 3.38Å; S142-H181 WeakPolarHBondContact CB-NE2 3.47Å; Y179-H181 VanDerWaalsContact C-N 3.32Å; Y179-H181 PolarHBondContact O-N 3.43Å; H181-W185 WeakPolarHBondContact O-CB 3.5Å; H181-W185 PolarHBondContact O-N 2.93Å
182V98.5Very high97.1Very high0 Ų053.8 Ų53.80%028%0.276CS..Hα-helixtrans-67.5-44.3171.3-176.30000110.1L134 M137 N138 L141 F167 Y179 R184 W185 Y186L134-V182 HydrophobicContact CD2-CG1 3.95Å; M137-V182 HydrophobicContact CB-CG2 3.91Å; N138-V182 HydrophobicContact CB-CG2 3.79Å; N138-V182 PolarHBondContact OD1-N 2.93Å; L141-V182 HydrophobicContact CD1-CG2 4.13Å; F167-V182 HydrophobicContact CE2-CG1 4.34Å; F167-V182 HydrophobicContact CZ-CG1 3.87Å; Y179-V182 PolarHBondContact O-N 3.27Å; Y179-V182 VanDerWaalsContact O-N 3.17Å; V182-R184 VanDerWaalsContact C-N 3.35Å; V182-R184 PolarHBondContact O-N 3.14Å; V182-W185 HydrophobicContact CG1-CE3 4.27Å; V182-W185 PolarHBondContact O-N 2.81Å; V182-Y186 WeakPolarHBondContact O-CB 3.45Å; V182-Y186 PolarHBondContact O-N 3.11Å
183V98Very high97.2Very high32 Ų3254.4 Ų54.419%0.19429%0.286CS..Hα-helixtrans-61.2-43.7176.9176.10000111R176 Y179 P180 T187 F204R176-V183 HydrophobicContact CB-CG2 3.9Å; R176-V183 HydrophobicContact CG-CG2 4.26Å; Y179-V183 WeakPolarHBondContact O-CG2 3.27Å; Y179-V183 PolarHBondContact O-N 3.47Å; P180-V183 PolarHBondContact O-N 3.01Å; V183-T187 WeakPolarHBondContact O-CB 3.33Å; V183-T187 PolarHBondContact O-N 2.92Å; V183-T187 PolarHBondContact O-OG1 2.88Å; V183-F204 HydrophobicContact CG1-CZ 4.1Å
184R98.2Very high97.3Very high83 Ų8351.6 Ų51.631%0.31327%0.273SS..Hα-helixtrans-56.5-55.8173.2177.8-129.363.4-168.7-1.1110.8L141 I144 T145 P180 V182 Y186 T187 T188L141-R184 PolarHBondContact O-NH1 2.85Å; L141-R184 VanDerWaalsContact O-NH1 3.16Å; I144-R184 PolarHBondContact O-NH1 2.86Å; I144-R184 PolarHBondContact O-NH2 2.83Å; T145-R184 PolarHBondContact O-NH2 3.4Å; P180-R184 WeakPolarHBondContact O-CB 3.39Å; P180-R184 PolarHBondContact O-N 2.92Å; V182-R184 VanDerWaalsContact C-N 3.35Å; V182-R184 PolarHBondContact O-N 3.14Å; R184-Y186 PolarHBondContact O-N 3.49Å; R184-T187 PolarHBondContact O-N 2.87Å; R184-T188 PolarHBondContact O-N 3.48Å; R184-T188 PolarHBondContact O-OG1 3.21Å
185W98.5Very high97.4Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-55.4-51.8179.6168.480.1000111.8M137 L141 L147 D156 V159 F160 L163 H181 V182 T187 T188 I189M137-W185 HydrophobicContact CE-CE3 4.21Å; M137-W185 HydrophobicContact CE-CH2 4.17Å; M137-W185 HydrophobicContact CE-CZ3 3.94Å; L141-W185 HydrophobicContact CD1-CB 3.7Å; L141-W185 HydrophobicContact CD1-CD2 4.12Å; L141-W185 HydrophobicContact CD1-CE3 4.38Å; L141-W185 HydrophobicContact CD1-CG 3.81Å; L141-W185 HydrophobicContact CD2-CB 4.03Å; L141-W185 HydrophobicContact CD2-CG 3.85Å; L141-W185 HydrophobicContact CG-CB 4.41Å; L147-W185 HydrophobicContact CD1-CZ2 4.04Å; L147-W185 HydrophobicContact CG-CZ2 4.46Å; D156-W185 HydrophobicContact CB-CZ2 4.43Å; D156-W185 PolarHBondContact OD1-NE1 2.83Å; V159-W185 HydrophobicContact CB-CH2 3.93Å; V159-W185 HydrophobicContact CB-CZ2 4.19Å; V159-W185 HydrophobicContact CG1-CH2 3.65Å; V159-W185 HydrophobicContact CG1-CZ2 4.26Å; V159-W185 HydrophobicContact CG1-CZ3 4.37Å; F160-W185 HydrophobicContact CB-CH2 4Å; F160-W185 HydrophobicContact CB-CZ2 4.31Å; L163-W185 HydrophobicContact CD1-CZ3 4.09Å; H181-W185 WeakPolarHBondContact O-CB 3.5Å; H181-W185 PolarHBondContact O-N 2.93Å; V182-W185 HydrophobicContact CG1-CE3 4.27Å; V182-W185 PolarHBondContact O-N 2.81Å; W185-T187 VanDerWaalsContact C-N 3.29Å; W185-T187 PolarHBondContact O-N 3.35Å; W185-T188 WeakPolarHBondContact O-CB 3.44Å; W185-T188 PolarHBondContact O-N 2.94Å; W185-I189 HydrophobicContact CD2-CG1 4.37Å; W185-I189 HydrophobicContact CZ2-CG1 4.22Å; W185-I189 WeakPolarHBondContact O-CG1 3.48Å; W185-I189 PolarHBondContact O-N 2.99Å
186Y98.3Very high97.5Very high4 Ų446.1 Ų46.12%0.01624%0.243CC..Hα-helixtrans-56.3-45.3179.6176.2-88.7000111.3F160 H164 F167 V182 R184 T188 I189 A190 F204F160-Y186 AromaticContact CD2-CD2 3.56Å; F160-Y186 HydrophobicContact CD2-CD2 3.56Å; F160-Y186 AromaticContact CD2-CE2 3.61Å; F160-Y186 HydrophobicContact CD2-CE2 3.61Å; F160-Y186 HydrophobicContact CD2-CG 4.36Å; F160-Y186 AromaticContact CE2-CD2 3.62Å; F160-Y186 HydrophobicContact CE2-CD2 3.62Å; F160-Y186 HydrophobicContact CE2-CE1 4.35Å; F160-Y186 AromaticContact CE2-CE2 3.3Å; F160-Y186 HydrophobicContact CE2-CE2 3.3Å; F160-Y186 HydrophobicContact CE2-CG 4.27Å; F160-Y186 AromaticContact CE2-CZ 3.72Å; F160-Y186 HydrophobicContact CZ-CE2 4.21Å; H164-Y186 HydrophobicContact CB-CE2 4.42Å; H164-Y186 AromaticContact ND1-CZ 3.93Å; H164-Y186 PolarHBondContact ND1-OH 3.22Å; F167-Y186 HydrophobicContact CB-CE1 4.32Å; F167-Y186 HydrophobicContact CB-CE2 4.21Å; F167-Y186 AromaticContact CD2-CD2 3.5Å; F167-Y186 HydrophobicContact CD2-CD2 3.5Å; F167-Y186 AromaticContact CD2-CE2 3.63Å; F167-Y186 HydrophobicContact CD2-CE2 3.63Å; F167-Y186 AromaticContact CD2-CG 3.98Å; F167-Y186 HydrophobicContact CD2-CG 3.98Å; F167-Y186 AromaticContact CE2-CD2 3.88Å; F167-Y186 HydrophobicContact CE2-CD2 3.88Å; F167-Y186 HydrophobicContact CE2-CE2 4.44Å; F167-Y186 HydrophobicContact CE2-CG 4.2Å; F167-Y186 HydrophobicContact CG-CD2 4.33Å; F167-Y186 HydrophobicContact CG-CE2 4.25Å; V182-Y186 WeakPolarHBondContact O-CB 3.45Å; V182-Y186 PolarHBondContact O-N 3.11Å; R184-Y186 PolarHBondContact O-N 3.49Å; Y186-T188 PolarHBondContact O-N 2.79Å; Y186-I189 PolarHBondContact O-N 3.28Å; Y186-A190 HydrophobicContact CE1-CB 4.36Å; Y186-A190 VanDerWaalsContact O-CB 3.27Å; Y186-A190 WeakPolarHBondContact O-CB 3.35Å; Y186-A190 PolarHBondContact O-N 3.18Å; Y186-F204 AromaticContact CD1-CE1 3.48Å; Y186-F204 HydrophobicContact CD1-CE1 3.48Å; Y186-F204 VanDerWaalsContact CD1-CE1 3.48Å; Y186-F204 AromaticContact CD1-CZ 3.59Å; Y186-F204 HydrophobicContact CD1-CZ 3.59Å; Y186-F204 HydrophobicContact CE1-CD1 4.34Å; Y186-F204 AromaticContact CE1-CE1 3.54Å; Y186-F204 HydrophobicContact CE1-CE1 3.54Å; Y186-F204 AromaticContact CE1-CZ 3.9Å; Y186-F204 HydrophobicContact CE1-CZ 3.9Å; Y186-F204 HydrophobicContact CG-CE1 4.47Å
187T97.7Very high97.5Very high52 Ų5250.1 Ų50.132%0.31927%0.267SS..Hα-helixtrans-63.9-40.8177.8-53.10000111.3V183 R184 W185 I189 N191V183-T187 WeakPolarHBondContact O-CB 3.33Å; V183-T187 PolarHBondContact O-N 2.92Å; V183-T187 PolarHBondContact O-OG1 2.88Å; R184-T187 PolarHBondContact O-N 2.87Å; W185-T187 VanDerWaalsContact C-N 3.29Å; W185-T187 PolarHBondContact O-N 3.35Å; T187-I189 PolarHBondContact O-N 2.89Å; T187-N191 WeakPolarHBondContact CG2-ND2 3.45Å; T187-N191 WeakPolarHBondContact O-CB 3.41Å; T187-N191 PolarHBondContact O-N 3.18Å; T187-N191 PolarHBondContact O-ND2 3.4Å
188T97.8Very high97.4Very high46 Ų4645.5 Ų45.528%0.28225%0.249SC..Hα-helixtrans-61.3-42.6175.5-60.20000112F146 R184 W185 Y186 Q192F146-T188 HydrophobicContact CE1-CG2 4.33Å; R184-T188 PolarHBondContact O-N 3.48Å; R184-T188 PolarHBondContact O-OG1 3.21Å; W185-T188 WeakPolarHBondContact O-CB 3.44Å; W185-T188 PolarHBondContact O-N 2.94Å; Y186-T188 PolarHBondContact O-N 2.79Å; T188-Q192 WeakPolarHBondContact O-CG 3.36Å; T188-Q192 PolarHBondContact O-NE2 3.25Å
189I98Very high97.4Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-71.1-45.8178.2-54.8-54.2000111F146 L152 D156 F160 W185 Y186 T187 N191 Q192 V195F146-I189 HydrophobicContact CD1-CD1 3.83Å; F146-I189 HydrophobicContact CE1-CD1 3.77Å; L152-I189 HydrophobicContact CD1-CD1 3.64Å; L152-I189 HydrophobicContact CD1-CG2 4.31Å; L152-I189 HydrophobicContact CG-CD1 4.11Å; D156-I189 HydrophobicContact CB-CD1 3.87Å; D156-I189 HydrophobicContact CB-CG1 4.4Å; F160-I189 HydrophobicContact CB-CB 4.47Å; F160-I189 HydrophobicContact CB-CG2 3.82Å; F160-I189 HydrophobicContact CD1-CG2 4.04Å; F160-I189 HydrophobicContact CD2-CB 3.88Å; F160-I189 HydrophobicContact CD2-CG2 3.76Å; F160-I189 HydrophobicContact CE2-CB 4.41Å; F160-I189 HydrophobicContact CE2-CG2 4.35Å; F160-I189 HydrophobicContact CG-CB 4.2Å; F160-I189 HydrophobicContact CG-CG2 3.58Å; W185-I189 HydrophobicContact CD2-CG1 4.37Å; W185-I189 HydrophobicContact CZ2-CG1 4.22Å; W185-I189 WeakPolarHBondContact O-CG1 3.48Å; W185-I189 PolarHBondContact O-N 2.99Å; Y186-I189 PolarHBondContact O-N 3.28Å; T187-I189 PolarHBondContact O-N 2.89Å; I189-N191 PolarHBondContact O-N 3.21Å; I189-N191 VanDerWaalsContact O-N 3.14Å; I189-Q192 WeakPolarHBondContact O-CG 3.37Å; I189-Q192 PolarHBondContact O-N 3.1Å; I189-Q192 VanDerWaalsContact O-N 3.1Å; I189-V195 HydrophobicContact CG2-CG2 4.23Å; I189-V195 WeakPolarHBondContact O-CB 3.14Å; I189-V195 WeakPolarHBondContact O-CG2 3.26Å
190A97.4Very high97.2Very high5 Ų542.1 Ų42.14%0.04123%0.232CC..Hα-helixtrans-58.5-28.2-17900000113.5F160 Y186 L196F160-A190 HydrophobicContact CE2-CB 3.75Å; F160-A190 HydrophobicContact CZ-CB 3.97Å; Y186-A190 HydrophobicContact CE1-CB 4.36Å; Y186-A190 VanDerWaalsContact O-CB 3.27Å; Y186-A190 WeakPolarHBondContact O-CB 3.35Å; Y186-A190 PolarHBondContact O-N 3.18Å; A190-L196 VanDerWaalsContact O-CD2 3.28Å; A190-L196 WeakPolarHBondContact O-CD2 3.37Å; A190-L196 WeakPolarHBondContact O-CG 3.33Å
191N97.3Very high96.9Very high98 Ų9844.6 Ų44.652%0.52425%0.249SC..THydrogen-bonded Turntrans-98.67.6-178.2-71.7-74.5000113.8T187 I189T187-N191 WeakPolarHBondContact CG2-ND2 3.45Å; T187-N191 WeakPolarHBondContact O-CB 3.41Å; T187-N191 PolarHBondContact O-N 3.18Å; T187-N191 PolarHBondContact O-ND2 3.4Å; I189-N191 PolarHBondContact O-N 3.21Å; I189-N191 VanDerWaalsContact O-N 3.14Å
192Q96.9Very high96.5Very high53 Ų5343.2 Ų43.225%0.24825%0.246CC..SBendtrans-67.2136168.1-61.1-59.1-4700109.3L152 T188 I189 E194 V195 L196L152-Q192 HydrophobicContact CD1-CG 3.73Å; T188-Q192 WeakPolarHBondContact O-CG 3.36Å; T188-Q192 PolarHBondContact O-NE2 3.25Å; I189-Q192 WeakPolarHBondContact O-CG 3.37Å; I189-Q192 PolarHBondContact O-N 3.1Å; I189-Q192 VanDerWaalsContact O-N 3.1Å; Q192-E194 VanDerWaalsContact C-N 3.26Å; Q192-E194 PolarHBondContact O-N 2.84Å; Q192-V195 HydrophobicContact CB-CB 4.23Å; Q192-V195 HydrophobicContact CB-CG2 3.96Å; Q192-V195 PolarHBondContact O-N 2.98Å; Q192-L196 PolarHBondContact O-N 2.7Å
193P97.3Very high96.3Very high76 Ų7648.5 Ų48.549%0.49428%0.279SS..Hα-helixtrans-52.5-42.7-178.8-27.535000113.5V195 L196 N197P193-V195 VanDerWaalsContact C-N 3.29Å; P193-V195 PolarHBondContact O-N 3.17Å; P193-L196 PolarHBondContact O-N 2.88Å; P193-N197 WeakPolarHBondContact O-CB 3.3Å; P193-N197 PolarHBondContact O-N 3.28Å; P193-N197 PolarHBondContact O-ND2 3.42Å; P193-N197 PolarHBondContact O-OD1 3.28Å
194E96.8Very high96.3Very high52 Ų5250 Ų5024%0.24328%0.283CS..Hα-helixtrans-63.9-34.2179.2-63.280.7-176.400112.2Q24 F25 Q192Q24-E194 HydrophobicContact CB-CB 3.69Å; Q24-E194 HydrophobicContact CB-CG 3.92Å; F25-E194 HydrophobicContact CD1-CG 3.95Å; F25-E194 HydrophobicContact CD2-CB 3.83Å; F25-E194 HydrophobicContact CD2-CG 4.01Å; F25-E194 HydrophobicContact CE1-CB 4.34Å; F25-E194 HydrophobicContact CE1-CG 3.95Å; F25-E194 HydrophobicContact CE2-CB 3.56Å; F25-E194 HydrophobicContact CE2-CG 4.01Å; F25-E194 HydrophobicContact CG-CB 4.32Å; F25-E194 HydrophobicContact CG-CG 3.97Å; F25-E194 HydrophobicContact CZ-CB 3.83Å; F25-E194 HydrophobicContact CZ-CG 3.96Å; Q192-E194 VanDerWaalsContact C-N 3.26Å; Q192-E194 PolarHBondContact O-N 2.84Å
195V96.9Very high96.1Very high1 Ų146.3 Ų46.31%0.00627%0.27CS..Hα-helixtrans-77.3-44.6177.6177.90000110.5I21 F160 I189 Q192 P193 N197 V198 V199I21-V195 HydrophobicContact CD1-CG1 4.31Å; I21-V195 HydrophobicContact CD1-CG2 4.28Å; I21-V195 HydrophobicContact CG2-CG2 3.91Å; F160-V195 HydrophobicContact CD1-CG1 4.37Å; F160-V195 HydrophobicContact CE1-CG1 3.59Å; F160-V195 HydrophobicContact CZ-CG1 3.9Å; I189-V195 HydrophobicContact CG2-CG2 4.23Å; I189-V195 WeakPolarHBondContact O-CB 3.14Å; I189-V195 WeakPolarHBondContact O-CG2 3.26Å; Q192-V195 HydrophobicContact CB-CB 4.23Å; Q192-V195 HydrophobicContact CB-CG2 3.96Å; Q192-V195 PolarHBondContact O-N 2.98Å; P193-V195 VanDerWaalsContact C-N 3.29Å; P193-V195 PolarHBondContact O-N 3.17Å; V195-N197 VanDerWaalsContact C-N 3.27Å; V195-N197 PolarHBondContact O-N 3.23Å; V195-V198 PolarHBondContact O-N 3.18Å; V195-V198 VanDerWaalsContact O-N 3.11Å; V195-V199 HydrophobicContact CG1-CB 4.45Å; V195-V199 HydrophobicContact CG1-CG2 4.06Å; V195-V199 WeakPolarHBondContact O-CB 3.34Å; V195-V199 PolarHBondContact O-N 2.95Å
196L96.7Very high95.9Very high59 Ų5952.6 Ų52.631%0.30931%0.308SS..Hα-helixtrans-58.9-38.5176.3-75.6171.3000112.1A190 Q192 P193 V198 G200A190-L196 VanDerWaalsContact O-CD2 3.28Å; A190-L196 WeakPolarHBondContact O-CD2 3.37Å; A190-L196 WeakPolarHBondContact O-CG 3.33Å; Q192-L196 PolarHBondContact O-N 2.7Å; P193-L196 PolarHBondContact O-N 2.88Å; L196-V198 PolarHBondContact O-N 2.74Å; L196-G200 WeakPolarHBondContact O-CA 3.23Å; L196-G200 PolarHBondContact O-N 3.44Å
197N95.7Very high95.7Very high115 Ų11560.5 Ų60.562%0.61534%0.342SS*.Hα-helixtrans-62.7-25.8177.9-74-12.1000113.6Q24 P193 V195Q24-N197 PolarHBondContact OE1-ND2 2.79Å; P193-N197 WeakPolarHBondContact O-CB 3.3Å; P193-N197 PolarHBondContact O-N 3.28Å; P193-N197 PolarHBondContact O-ND2 3.42Å; P193-N197 PolarHBondContact O-OD1 3.28Å; V195-N197 VanDerWaalsContact C-N 3.27Å; V195-N197 PolarHBondContact O-N 3.23Å
198V95.3Very high95.5Very high26 Ų2659.3 Ų59.316%0.15834%0.338CS..Hα-helixtrans-100.8-48.3-176.7173.90000111.8W17 Q20 I21 Q24 V195 L196W17-V198 HydrophobicContact CB-CG1 3.95Å; W17-V198 HydrophobicContact CG-CG1 3.91Å; Q20-V198 HydrophobicContact CB-CB 4.46Å; Q20-V198 HydrophobicContact CB-CG1 3.65Å; Q20-V198 HydrophobicContact CB-CG2 3.9Å; I21-V198 HydrophobicContact CG1-CB 3.87Å; I21-V198 HydrophobicContact CG1-CG1 3.97Å; I21-V198 HydrophobicContact CG1-CG2 3.98Å; Q24-V198 HydrophobicContact CG-CG2 3.79Å; V195-V198 PolarHBondContact O-N 3.18Å; V195-V198 VanDerWaalsContact O-N 3.11Å; L196-V198 PolarHBondContact O-N 2.74Å
199V94.7Very high95.2Very high24 Ų2458.7 Ų58.715%0.14534%0.338CS..Hα-helixtrans-90.2-27.1-172.6-177.20000111.4W17 I21 F160 V195W17-V199 HydrophobicContact CB-CG2 4.48Å; W17-V199 HydrophobicContact CD2-CG2 3.86Å; W17-V199 HydrophobicContact CE3-CB 4.49Å; W17-V199 HydrophobicContact CE3-CG1 4.14Å; W17-V199 HydrophobicContact CE3-CG2 3.71Å; W17-V199 HydrophobicContact CG-CG2 4.24Å; W17-V199 HydrophobicContact CH2-CG1 3.86Å; W17-V199 HydrophobicContact CZ2-CG1 4.41Å; W17-V199 HydrophobicContact CZ3-CG1 3.72Å; W17-V199 HydrophobicContact CZ3-CG2 4.17Å; I21-V199 HydrophobicContact CD1-CG2 4.13Å; F160-V199 HydrophobicContact CE1-CG2 4.28Å; V195-V199 HydrophobicContact CG1-CB 4.45Å; V195-V199 HydrophobicContact CG1-CG2 4.06Å; V195-V199 WeakPolarHBondContact O-CB 3.34Å; V195-V199 PolarHBondContact O-N 2.95Å
200G94.2Very high94.8Very high19 Ų1966.2 Ų66.220%0.19637%0.372CS..  trans77.5-179.4-170.900000113.4L196 S202L196-G200 WeakPolarHBondContact O-CA 3.23Å; L196-G200 PolarHBondContact O-N 3.44Å; G200-S202 PolarHBondContact O-N 3.46Å
201P93.2Very high94.3Very high124 Ų12469 Ų6981%0.80538%0.384SS*.SBendtrans-59.3121.4176.7-22.433.5000111.3
202S89.8Confident93.8Very high38 Ų3868.1 Ų68.127%0.26638%0.379SS..PPolyproline II helixtrans-96.6122.1-178.9-62.10000110.9H164 G200H164-S202 PolarHBondContact CE1-OG 3.43Å; H164-S202 VanDerWaalsContact CE1-OG 3.31Å; G200-S202 PolarHBondContact O-N 3.46Å
203T93.6Very high93.2Very high112 Ų11268.3 Ų68.369%0.68739%0.39SS*.PPolyproline II helixtrans-103.5136.5172.754.50000110.5
204F96.9Very high92.5Very high64 Ų6472.2 Ų72.228%0.28140%0.399SS..PPolyproline II helixtrans-69.5147.1175.2-74.5-64.9000111.3F167 V183 Y186 V206F167-F204 HydrophobicContact CB-CD1 4.09Å; F167-F204 HydrophobicContact CB-CE1 4.21Å; F167-F204 HydrophobicContact CD1-CD1 4.29Å; F167-F204 HydrophobicContact CD1-CE1 4.08Å; F167-F204 HydrophobicContact CG-CD1 4.49Å; F167-F204 HydrophobicContact CG-CE1 4.25Å; V183-F204 HydrophobicContact CG1-CZ 4.1Å; Y186-F204 AromaticContact CD1-CE1 3.48Å; Y186-F204 HydrophobicContact CD1-CE1 3.48Å; Y186-F204 VanDerWaalsContact CD1-CE1 3.48Å; Y186-F204 AromaticContact CD1-CZ 3.59Å; Y186-F204 HydrophobicContact CD1-CZ 3.59Å; Y186-F204 HydrophobicContact CE1-CD1 4.34Å; Y186-F204 AromaticContact CE1-CE1 3.54Å; Y186-F204 HydrophobicContact CE1-CE1 3.54Å; Y186-F204 AromaticContact CE1-CZ 3.9Å; Y186-F204 HydrophobicContact CE1-CZ 3.9Å; Y186-F204 HydrophobicContact CG-CE1 4.47Å; F204-V206 PolarHBondContact O-N 3.49Å
205C95.1Very high91.8Very high5 Ų574 Ų743%0.03441%0.406CS..PPolyproline II helixtrans-56.1121.2173.3175.20000110.3F167 H169 Y171 R176 K207F167-C205 VanDerWaalsContact O-CB 3.3Å; F167-C205 WeakPolarHBondContact O-CB 3.45Å; F167-C205 PolarHBondContact O-N 2.93Å; H169-C205 PolarHBondContact O-SG 3.39Å; H169-C205 VanDerWaalsContact O-SG 3.38Å; Y171-C205 WeakPolarHBondContact O-CB 3.24Å; R176-C205 PolarHBondContact NH1-O 3.34Å; R176-C205 PolarHBondContact NH2-O 2.92Å; C205-K207 PolarHBondContact SG-O 3.18Å
206V94.9Very high90.9Very high131 Ų13176.8 Ų76.879%0.79442%0.417SS*.SBendtrans-89.3-40.7174.1179.30000110.5F204F204-V206 PolarHBondContact O-N 3.49Å
207K93.3Very high90.1Very high170 Ų17076.1 Ų76.174%0.73942%0.417SS*.SBendtrans-135.2128.2178.4-173.5176.7-178.4178.90110.1E172 C205 A209E172-K207 WeakPolarHBondContact OE1-CA 3.49Å; C205-K207 PolarHBondContact SG-O 3.18Å; K207-A209 PolarHBondContact O-N 2.91Å
208A93.8Very high89.4Confident28 Ų2876.8 Ų76.823%0.23142%0.416CS..  trans-60.7125.3-177.400000110.8V170 E172V170-A208 WeakPolarHBondContact O-CB 3.38Å; E172-A208 HydrophobicContact CG-CB 3.93Å; E172-A208 PolarHBondContact OE1-N 3.01Å
209A91.4Very high88.3Confident33 Ų3379.6 Ų79.627%0.27343%0.43SS..  trans-62143.3170.800000109.8C112 H169 V170 K207C112-A209 HydrophobicContact CB-CB 3.69Å; C112-A209 PolarHBondContact SG-O 2.91Å; H169-A209 HydrophobicContact CB-CB 4.42Å; H169-A209 VanDerWaalsContact O-CB 3.31Å; H169-A209 WeakPolarHBondContact O-CB 3.28Å; H169-A209 PolarHBondContact O-N 3.41Å; V170-A209 HydrophobicContact CG1-CB 4.41Å; K207-A209 PolarHBondContact O-N 2.91Å
210Q89.2Confident87.2Confident157 Ų15782.3 Ų82.373%0.73444%0.441SS*.  trans-123153.9179.1-64.9-175.3-15.900109.5D212Q210-D212 PolarHBondContact O-N 3.12Å
211F86.9Confident85.8Confident64 Ų6488.3 Ų88.328%0.28146%0.462SS..  trans-60.9131174.6175.4-99.7000110.6P111 F118 A213 Y216P111-F211 HydrophobicContact CB-CD2 3.96Å; P111-F211 WeakPolarHBondContact O-CD2 3.33Å; F118-F211 HydrophobicContact CB-CB 3.85Å; F118-F211 HydrophobicContact CB-CD1 3.91Å; F118-F211 HydrophobicContact CB-CD2 3.69Å; F118-F211 HydrophobicContact CB-CE1 4.39Å; F118-F211 HydrophobicContact CB-CE2 4.23Å; F118-F211 HydrophobicContact CB-CG 3.54Å; F118-F211 HydrophobicContact CD2-CB 4.31Å; F118-F211 HydrophobicContact CG-CB 4.18Å; F118-F211 HydrophobicContact CG-CG 4.35Å; F211-A213 HydrophobicContact CE1-CB 3.88Å; F211-A213 HydrophobicContact CZ-CB 4.37Å; F211-Y216 HydrophobicContact CE2-CD2 4.16Å; F211-Y216 HydrophobicContact CE2-CG 4.03Å; F211-Y216 HydrophobicContact CZ-CG 4.15Å
212D86.2Confident83.6Confident79 Ų7990.3 Ų90.342%0.42246%0.458SS..  trans-119.7111.9173-175.7-21.8000109.2Q210 K214 K215 Y216Q210-D212 PolarHBondContact O-N 3.12Å; D212-K214 PolarHBondContact O-N 2.98Å; D212-K214 WeakPolarHBondContact OD1-CB 3.19Å; D212-K214 PolarHBondContact OD1-N 3.24Å; D212-K215 HydrophobicContact CB-CB 3.95Å; D212-K215 PolarHBondContact O-N 2.67Å; D212-K215 PolarHBondContact OD1-N 3.19Å; D212-Y216 PolarHBondContact O-N 3.17Å
213A84.4Confident81.2Confident57 Ų5792.1 Ų92.147%0.47147%0.471SS..Hα-helixtrans-60.5-31.1-179.500000113.1F211 S217F211-A213 HydrophobicContact CE1-CB 3.88Å; F211-A213 HydrophobicContact CZ-CB 4.37Å; A213-S217 WeakPolarHBondContact O-CB 3.48Å; A213-S217 PolarHBondContact O-N 3.02Å; A213-S217 PolarHBondContact O-OG 3.38Å
214K83.8Confident78.4Confident158 Ų15894.9 Ų94.969%0.68748%0.475SS*.Hα-helixtrans-69.7-47.4176.7-65.1-179-180176.50110.5D212 Y216 S217 E218D212-K214 PolarHBondContact O-N 2.98Å; D212-K214 WeakPolarHBondContact OD1-CB 3.19Å; D212-K214 PolarHBondContact OD1-N 3.24Å; K214-Y216 VanDerWaalsContact C-N 3.31Å; K214-Y216 PolarHBondContact O-N 3.42Å; K214-S217 WeakPolarHBondContact O-CB 3.48Å; K214-S217 PolarHBondContact O-N 2.98Å; K214-S217 VanDerWaalsContact O-N 3.16Å; K214-E218 WeakPolarHBondContact O-CG 3.35Å; K214-E218 PolarHBondContact O-N 3.13Å
215K81.5Confident75.5Confident89 Ų89100.1 Ų100.139%0.38750%0.501SS..Hα-helixtrans-59.8-42.8177.6-172.3-179.3179.3-173.20111.5L113 D212 E218 L219L113-K215 WeakPolarHBondContact O-CE 3.12Å; L113-K215 PolarHBondContact O-NZ 2.8Å; D212-K215 HydrophobicContact CB-CB 3.95Å; D212-K215 PolarHBondContact O-N 2.67Å; D212-K215 PolarHBondContact OD1-N 3.19Å; K215-E218 PolarHBondContact O-N 2.9Å; K215-L219 HydrophobicContact CG-CD1 4.28Å; K215-L219 WeakPolarHBondContact O-CG 3.31Å; K215-L219 PolarHBondContact O-N 3.36Å; K215-L219 VanDerWaalsContact O-N 3.14Å
216Y78Confident72.4Confident60 Ų60105.2 Ų105.224%0.23553%0.532CS..Hα-helixtrans-57.9-51.3173.2179.7-98.6000111.3G114 Q117 F211 D212 K214 E218 L219 H220G114-Y216 WeakPolarHBondContact O-CD2 3.37Å; Q117-Y216 HydrophobicContact CB-CE2 4.26Å; F211-Y216 HydrophobicContact CE2-CD2 4.16Å; F211-Y216 HydrophobicContact CE2-CG 4.03Å; F211-Y216 HydrophobicContact CZ-CG 4.15Å; D212-Y216 PolarHBondContact O-N 3.17Å; K214-Y216 VanDerWaalsContact C-N 3.31Å; K214-Y216 PolarHBondContact O-N 3.42Å; Y216-E218 VanDerWaalsContact C-N 3.33Å; Y216-E218 PolarHBondContact O-N 2.93Å; Y216-L219 PolarHBondContact O-N 3.23Å; Y216-H220 AromaticContact CD2-CD2 3.62Å; Y216-H220 AromaticContact CD2-NE2 3.81Å; Y216-H220 AromaticContact CE2-CD2 3.38Å; Y216-H220 WeakPolarHBondContact CE2-CD2 3.21Å; Y216-H220 AromaticContact CE2-NE2 3.3Å; Y216-H220 VanDerWaalsContact CE2-NE2 3.3Å; Y216-H220 WeakPolarHBondContact CE2-NE2 3.18Å; Y216-H220 AromaticContact CZ-CD2 3.69Å; Y216-H220 AromaticContact CZ-NE2 3.85Å; Y216-H220 PolarHBondContact O-CD2 3.22Å; Y216-H220 VanDerWaalsContact O-CD2 3.27Å; Y216-H220 PolarHBondContact O-N 2.82Å; Y216-H220 VanDerWaalsContact O-N 3.13Å
217S80.3Confident69.4Low45 Ų45105.3 Ų105.332%0.31553%0.528SS..Hα-helixtrans-60-40.1179.5-58.40000113A213 K214 K221A213-S217 WeakPolarHBondContact O-CB 3.48Å; A213-S217 PolarHBondContact O-N 3.02Å; A213-S217 PolarHBondContact O-OG 3.38Å; K214-S217 WeakPolarHBondContact O-CB 3.48Å; K214-S217 PolarHBondContact O-N 2.98Å; K214-S217 VanDerWaalsContact O-N 3.16Å; S217-K221 WeakPolarHBondContact O-CB 3.48Å; S217-K221 WeakPolarHBondContact O-CG 3.31Å; S217-K221 PolarHBondContact O-N 2.98Å
218E80.2Confident66.3Low129 Ų129106 Ų10660%0.60353%0.534SS*.Hα-helixtrans-67.4-38.7179.6-74.7174.6-17200113K214 K215 Y216K214-E218 WeakPolarHBondContact O-CG 3.35Å; K214-E218 PolarHBondContact O-N 3.13Å; K215-E218 PolarHBondContact O-N 2.9Å; Y216-E218 VanDerWaalsContact C-N 3.33Å; Y216-E218 PolarHBondContact O-N 2.93Å
219L72.3Confident63.4Low86 Ų86110.4 Ų110.445%0.4556%0.56SS.*Hα-helixtrans-67.8-40.4177.4-74.6168.7000111.7G114 K215 Y216G114-L219 WeakPolarHBondContact O-CD1 3.12Å; K215-L219 HydrophobicContact CG-CD1 4.28Å; K215-L219 WeakPolarHBondContact O-CG 3.31Å; K215-L219 PolarHBondContact O-N 3.36Å; K215-L219 VanDerWaalsContact O-N 3.14Å; Y216-L219 PolarHBondContact O-N 3.23Å
220H72.5Confident60.6Low81 Ų81118.9 Ų118.938%0.37559%0.591SS.*Hα-helixtrans-86.6-14.2-177.4-73-81.4000114.4I115 Y216 S223I115-H220 PolarHBondContact O-CE1 3.34Å; I115-H220 PolarHBondContact O-NE2 3.12Å; Y216-H220 AromaticContact CD2-CD2 3.62Å; Y216-H220 AromaticContact CD2-NE2 3.81Å; Y216-H220 AromaticContact CE2-CD2 3.38Å; Y216-H220 WeakPolarHBondContact CE2-CD2 3.21Å; Y216-H220 AromaticContact CE2-NE2 3.3Å; Y216-H220 VanDerWaalsContact CE2-NE2 3.3Å; Y216-H220 WeakPolarHBondContact CE2-NE2 3.18Å; Y216-H220 AromaticContact CZ-CD2 3.69Å; Y216-H220 AromaticContact CZ-NE2 3.85Å; Y216-H220 PolarHBondContact O-CD2 3.22Å; Y216-H220 VanDerWaalsContact O-CD2 3.27Å; Y216-H220 PolarHBondContact O-N 2.82Å; Y216-H220 VanDerWaalsContact O-N 3.13Å; H220-S223 PolarHBondContact O-OG 2.92Å
221K64Low58Low145 Ų145117.5 Ų117.563%0.6359%0.593SS**Hα-helixtrans-75-31.9168.7-78.6173.6-176-177.10112.7S217 S223 H224S217-K221 WeakPolarHBondContact O-CB 3.48Å; S217-K221 WeakPolarHBondContact O-CG 3.31Å; S217-K221 PolarHBondContact O-N 2.98Å; K221-S223 VanDerWaalsContact C-N 3.32Å; K221-S223 PolarHBondContact O-N 2.81Å; K221-H224 PolarHBondContact O-N 3.24Å
222K47.8Very low55.5Low165 Ų165119 Ų11972%0.71762%0.616SS**THydrogen-bonded Turntrans-71.1-21.8-177.3-81.2-179.2177.3175.20114.3H224 T226K222-H224 VanDerWaalsContact C-N 3.31Å; K222-H224 PolarHBondContact O-N 3.37Å; K222-T226 PolarHBondContact O-OG1 2.85Å
223S38.8Very low53.2Low77 Ų77121.5 Ų121.554%0.53863%0.634SS.*THydrogen-bonded Turntrans-73.2-19.3176.945.50000113.6H220 K221H220-S223 PolarHBondContact O-OG 2.92Å; K221-S223 VanDerWaalsContact C-N 3.32Å; K221-S223 PolarHBondContact O-N 2.81Å
224H35.7Very low50.9Low169 Ų169128.2 Ų128.278%0.78265%0.653SS**THydrogen-bonded Turntrans-95-15.4-178.4-79-75.1000115.2K221 K222K221-H224 PolarHBondContact O-N 3.24Å; K222-H224 VanDerWaalsContact C-N 3.31Å; K222-H224 PolarHBondContact O-N 3.37Å
225E34.7Very low48.6Very low175 Ų175130 Ų13082%0.81866%0.664SS**SBendtrans-95.10.7-175-77.2-172154.300115.6
226T31.2Very low46.4Very low111 Ų111135.1 Ų135.168%0.68169%0.686SS**SBendtrans-104.521.2-171.4150000117.2K222K222-T226 PolarHBondContact O-OG1 2.85Å
227N31.2Very low44.4Very low133 Ų133142 Ų14271%0.71172%0.72SS**SBendtrans-150.168.5169.7-86.2-46.4000113.5
228Q29.1Very low42.2Very low185 Ų185148.1 Ų148.186%0.86474%0.741SS**  trans-142.6122.2149-76.6-167.41.500110.5K230Q228-K230 PolarHBondContact O-N 3.4Å
229P32.2Very low40.1Very low120 Ų120147.4 Ų147.478%0.77975%0.75SS**  trans-68.3122.5170.7-4.519.5000109V231P229-V231 PolarHBondContact O-N 3.4Å
230K33.2Very low38.6Very low212 Ų212150.2 Ų150.292%0.92276%0.761SS**  trans-6198.9169.1-81.2177.8175.7171.90109.8Q228 A232Q228-K230 PolarHBondContact O-N 3.4Å; K230-A232 PolarHBondContact O-N 2.87Å
231V34.6Very low36.8Very low128 Ų128152.3 Ų152.378%0.77678%0.78SS**  trans-81.7109.6158-179.40000107.1P229 V233P229-V231 PolarHBondContact O-N 3.4Å; V231-V233 PolarHBondContact O-N 2.69Å
232A34.1Very low35.4Very low94 Ų94150.7 Ų150.778%0.77778%0.784SS**  trans-73.3116.2175.400000110.3K230K230-A232 PolarHBondContact O-N 2.87Å
233V37.8Very low35Very low132 Ų132148.8 Ų148.880%0.879%0.786SS**  trans-124.8109.4155.8-176.70000107.5V231V231-V233 PolarHBondContact O-N 2.69Å
234K35.1Very low34.8Very low198 Ų198153.1 Ų153.186%0.86180%0.795SS**  trans-69128.8169.2-74170175.3169.70108
235E36.9Very low34.8Very low195 Ų195154.1 Ų154.191%0.91180%0.797SS**  trans-149131.8139.4-117170.7-164.400111.1
236K35.1Very low34.9Very low198 Ų198153.6 Ų153.686%0.86180%0.795SS**  trans-80143.5-173.9-72.7163.6168.8172.60109.4
237Q36.3Very low35.1Very low203 Ų203157.8 Ų157.895%0.94980%0.804SS**  -156.3134.1128.9-109.2165.622.200111.6
238K34.4Very low35.5Very low175 Ų175156.5 Ų156.576%0.76180%0.802SS**  trans-97.4145.1-175.5-96.7-179.6158.6-148.20110.2E240K238-E240 IonicContact NZ-OE1 2.85Å; K238-E240 PolarHBondContact NZ-OE1 2.94Å
239S35.4Very low35.9Very low113 Ų113157.1 Ų157.179%0.7980%0.802SS**  trans-167.6104.6136.754.80000106.7
240E39.6Very low36Very low145 Ų145157.7 Ų157.768%0.67880%0.799SS**  46.3117.978.3-70.7179.2-158.400110.6K238K238-E240 IonicContact NZ-OE1 2.85Å; K238-E240 PolarHBondContact NZ-OE1 2.94Å
241T34.8Very low36.1Very low126 Ų126151.7 Ų151.777%0.77378%0.784SS**  cis-167.9152.736.8-45.80000110.7
242P35.2Very low36.3Very low111 Ų111153 Ų15372%0.72179%0.787SS**  trans-100.3175.4178.737.7-30.4000113.5
243V38.8Very low36.2Very low125 Ų125156.7 Ų156.776%0.75879%0.788SS**  trans166.6121.4135.5158.90000114.9
244K35Very low36.1Very low168 Ų168157.8 Ų157.873%0.7379%0.789SS**  trans44.1136.7138.6-60.6178.9175.9-178.70124.7
245K36.6Very low36Very low189 Ų189157 Ų15782%0.82279%0.789SS**  -172.5113.5103.8-95.3169.9-179.1179.50109
246E36.8Very low35.9Very low165 Ų165157.4 Ų157.477%0.77179%0.787SS**  58.4142.192-75.6-177.8178.800115
247K35.5Very low36.2Very low198 Ų198153 Ų15386%0.86178%0.779SS**  cis-177.5-179.7-31.2-132.2-162178.5179.90104.8
248P38.4Very low36.3Very low106 Ų106149.4 Ų149.469%0.68877%0.773SS**  -123.6-176-126.639.8-19.5000115.5
249K37.5Very low36.4Very low198 Ų198150.4 Ų150.486%0.86178%0.777SS**  trans165.3148.2153.5-99.8174.8-178.7-1730108.7
250D36Very low36.3Very low132 Ų132150.6 Ų150.671%0.70678%0.776SS**  cis-167.6159.6-4.1-152.8-13.7000108
251S35.2Very low36.3Very low87 Ų87148.9 Ų148.961%0.60878%0.78SS**  trans33.4116.3154.362.60000122.6
252N37.8Very low36.7Very low156 Ų156152.4 Ų152.483%0.83479%0.785SS**  -178.4154.793-108.1-5.3000113.5
253E32.4Very low37.8Very low170 Ų170149.2 Ų149.279%0.79477%0.765SS**  trans-59.6136.2-177.2-62.5165147.800113.2
254D35.5Very low39.3Very low155 Ų155151 Ų15183%0.82976%0.758SS**  166.3136.8129.3-85.7-36.4000111.6
255E32.4Very low41.3Very low183 Ų183143.2 Ų143.286%0.85572%0.724SS**  trans47.9100.5166.6-64.9-173.1151.700118.6P257E255-P257 VanDerWaalsContact O-CD 3.27Å; E255-P257 WeakPolarHBondContact O-CD 3.18Å
256K34.3Very low43.2Very low203 Ų203137.9 Ų137.988%0.88372%0.715SS**  trans-82.4115.4163.5-97.1175.9-178.8161.50110.7
257P42.4Very low45.2Very low106 Ų106134.7 Ų134.769%0.68871%0.711SS**PPolyproline II helixtrans-70.9158.4161.22.615.7000109.3E255 K259E255-P257 VanDerWaalsContact O-CD 3.27Å; E255-P257 WeakPolarHBondContact O-CD 3.18Å; P257-K259 PolarHBondContact O-N 2.7Å
258P38.2Very low47.3Very low127 Ų127126.3 Ų126.383%0.82568%0.676SS**PPolyproline II helixtrans-62.3133.5-177.127.6-32.5000110.2
259K35.8Very low49Very low195 Ų195124.2 Ų124.285%0.84866%0.662SS**PPolyproline II helixtrans-55.3130.7176.8-80.5179.2174.1179.10110P257 S261P257-K259 PolarHBondContact O-N 2.7Å; K259-S261 PolarHBondContact O-N 2.76Å
260P33.7Very low50.4Low117 Ų117120.8 Ų120.876%0.7665%0.653SS**  trans-74115.2176.929.3-30.8000109.4K262P260-K262 PolarHBondContact O-N 3.08Å
261S40.9Very low52.2Low110 Ų110116.7 Ų116.777%0.76964%0.641SS**  trans-66103157.9580000106.8K259 S263K259-S261 PolarHBondContact O-N 2.76Å; S261-S263 VanDerWaalsContact C-N 3.27Å; S261-S263 PolarHBondContact O-N 3.48Å
262K43Very low54.3Low200 Ų200121.5 Ų121.587%0.8765%0.651SS**  trans-59.393.6167.5-91.3-179.5171.3179.60107.7P260 R264P260-K262 PolarHBondContact O-N 3.08Å; K262-R264 PolarHBondContact O-N 3.17Å
263S58.7Low56.5Low43 Ų43114.1 Ų114.130%0.30161%0.612SS.*  trans-62.3123.3172.81750000108S261 L265 A266 D371S261-S263 VanDerWaalsContact C-N 3.27Å; S261-S263 PolarHBondContact O-N 3.48Å; S263-L265 PolarHBondContact O-N 3.16Å; S263-L265 VanDerWaalsContact O-N 3.11Å; S263-L265 WeakPolarHBondContact OG-CB 3.43Å; S263-L265 WeakPolarHBondContact OG-CG 3.24Å; S263-A266 PolarHBondContact O-N 3.04Å; S263-A266 VanDerWaalsContact O-N 3.13Å; S263-D371 PolarHBondContact OG-OD2 3.07Å
264R70.3Confident59Low164 Ų164107.6 Ų107.662%0.61959%0.59SS**G310 helixtrans-61.6-17.9-179.6-64-178.1178.6-178.81.6112.1K262 A266 S267 L370K262-R264 PolarHBondContact O-N 3.17Å; R264-A266 PolarHBondContact O-N 2.82Å; R264-S267 PolarHBondContact O-N 3.1Å; R264-S267 PolarHBondContact O-OG 2.9Å; R264-L370 HydrophobicContact CB-CB 4.23Å; R264-L370 WeakPolarHBondContact CB-O 3.34Å
265L76.2Confident61.6Low3 Ų3100.5 Ų100.52%0.01655%0.552CS.*G310 helixtrans-57.1-36.4173.7-60.1173.8000112.3S263 S267 L268 K335 Y339 I367 L370 D371 L374S263-L265 PolarHBondContact O-N 3.16Å; S263-L265 VanDerWaalsContact O-N 3.11Å; S263-L265 WeakPolarHBondContact OG-CB 3.43Å; S263-L265 WeakPolarHBondContact OG-CG 3.24Å; L265-S267 PolarHBondContact O-N 2.89Å; L265-L268 HydrophobicContact CD2-CD1 4.18Å; L265-L268 WeakPolarHBondContact O-CB 3.23Å; L265-L268 WeakPolarHBondContact O-CD1 3.47Å; L265-L268 WeakPolarHBondContact O-CG 3.34Å; L265-L268 PolarHBondContact O-N 2.99Å; L265-K335 HydrophobicContact CD1-CB 4.37Å; L265-Y339 HydrophobicContact CB-CD2 4.07Å; L265-Y339 HydrophobicContact CB-CE2 3.81Å; L265-I367 HydrophobicContact CD2-CD1 4.04Å; L265-I367 HydrophobicContact CD2-CG1 3.63Å; L265-L370 HydrophobicContact CD2-CB 4.01Å; L265-L370 HydrophobicContact CD2-CD1 4.21Å; L265-D371 HydrophobicContact CD1-CB 4.12Å; L265-D371 HydrophobicContact CG-CB 4.26Å; L265-L374 HydrophobicContact CD1-CD1 3.98Å; L265-L374 HydrophobicContact CD2-CD1 4.02Å
266A76.6Confident64.2Low77 Ų7796 Ų9664%0.63653%0.534SS*.G310 helixtrans-70.6-12.4178.900000113.8S263 R264S263-A266 PolarHBondContact O-N 3.04Å; S263-A266 VanDerWaalsContact O-N 3.13Å; R264-A266 PolarHBondContact O-N 2.82Å
267S78Confident66.9Low98 Ų9887.8 Ų87.869%0.68550%0.504SS*.G310 helixtrans-92.3-1.1176.367.90000113.9R264 L265R264-S267 PolarHBondContact O-N 3.1Å; R264-S267 PolarHBondContact O-OG 2.9Å; L265-S267 PolarHBondContact O-N 2.89Å
268L79.1Confident69.2Low22 Ų2282.7 Ų82.712%0.11547%0.471CS..SBendtrans-64.9142.2178.7-71.3170.9000111.2L265 L270 Y339 A362 I367 L370L265-L268 HydrophobicContact CD2-CD1 4.18Å; L265-L268 WeakPolarHBondContact O-CB 3.23Å; L265-L268 WeakPolarHBondContact O-CD1 3.47Å; L265-L268 WeakPolarHBondContact O-CG 3.34Å; L265-L268 PolarHBondContact O-N 2.99Å; L268-L270 PolarHBondContact O-N 2.63Å; L268-Y339 HydrophobicContact CD1-CD1 4.46Å; L268-Y339 HydrophobicContact CD1-CG 4.27Å; L268-A362 HydrophobicContact CB-CB 3.98Å; L268-A362 HydrophobicContact CD1-CB 4.13Å; L268-A362 WeakPolarHBondContact CD1-O 3.36Å; L268-I367 HydrophobicContact CD1-CD1 4.06Å; L268-I367 HydrophobicContact CD1-CG1 4.45Å; L268-L370 HydrophobicContact CD1-CD1 4.07Å; L268-L370 HydrophobicContact CD2-CD1 3.64Å; L268-L370 HydrophobicContact CG-CD1 4.11Å
269P75.4Confident71.8Confident62 Ų6277.3 Ų77.340%0.40343%0.434SS..  trans-64124.4176.327.7-33.5000109.1G271 A302P269-G271 VanDerWaalsContact C-N 3.26Å; P269-G271 PolarHBondContact O-N 2.92Å; P269-A302 HydrophobicContact CB-CB 4.04Å; P269-A302 HydrophobicContact CG-CB 4.15Å
270L67.2Low74.4Confident127 Ų12775.5 Ų75.567%0.66542%0.422SS*.  trans-74.2-21.3177.7-77152.4000112.2L268 Y303L268-L270 PolarHBondContact O-N 2.63Å; L270-Y303 WeakPolarHBondContact O-CE2 3.33Å; L270-Y303 PolarHBondContact O-OH 2.82Å
271G73.8Confident77.1Confident45 Ų4570.8 Ų70.846%0.46439%0.391SS..  trans56.9-165.5178.600000113.9P269 D299P269-G271 VanDerWaalsContact C-N 3.26Å; P269-G271 PolarHBondContact O-N 2.92Å; G271-D299 WeakPolarHBondContact CA-OD2 3.48Å
272K77.7Confident79.5Confident188 Ų18865.9 Ų65.982%0.81736%0.356SS*.SBendtrans-82.7-23.6167.7-66.8179.8-176.9173.10112.8G274 D299K272-G274 PolarHBondContact O-N 2.95Å; K272-D299 PolarHBondContact N-OD2 2.78Å
273F84.6Confident81.7Confident1 Ų158.9 Ų58.90%0.00433%0.332CS..  trans-75.2107-177.8-176.4-110.7000111.1M275 F278 F294 N297 D299 Y303F273-M275 HydrophobicContact CD1-CE 4.43Å; F273-M275 HydrophobicContact CE1-CE 3.8Å; F273-M275 HydrophobicContact CE1-SD 4.18Å; F273-M275 PolarHBondContact O-N 3.1Å; F273-F278 HydrophobicContact CE1-CB 4.33Å; F273-F278 HydrophobicContact CE1-CD1 4.48Å; F273-F278 HydrophobicContact CE2-CB 3.79Å; F273-F278 HydrophobicContact CE2-CD2 4.39Å; F273-F278 HydrophobicContact CE2-CG 4.03Å; F273-F278 HydrophobicContact CZ-CB 3.48Å; F273-F278 VanDerWaalsContact CZ-CB 3.48Å; F273-F278 AromaticContact CZ-CD1 3.76Å; F273-F278 HydrophobicContact CZ-CD1 3.76Å; F273-F278 HydrophobicContact CZ-CD2 4.2Å; F273-F278 AromaticContact CZ-CG 3.51Å; F273-F278 HydrophobicContact CZ-CG 3.51Å; F273-F294 AromaticContact CE2-CD2 3.9Å; F273-F294 HydrophobicContact CE2-CD2 3.9Å; F273-F294 HydrophobicContact CE2-CE2 4.33Å; F273-F294 AromaticContact CZ-CD2 3.73Å; F273-F294 HydrophobicContact CZ-CD2 3.73Å; F273-F294 AromaticContact CZ-CE2 3.94Å; F273-F294 HydrophobicContact CZ-CE2 3.94Å; F273-N297 VanDerWaalsContact CB-O 3.32Å; F273-N297 WeakPolarHBondContact CB-O 3.41Å; F273-N297 HydrophobicContact CD2-CB 3.83Å; F273-N297 WeakPolarHBondContact CD2-O 3.15Å; F273-N297 HydrophobicContact CE2-CB 4.41Å; F273-D299 HydrophobicContact CB-CB 4.2Å; F273-Y303 HydrophobicContact CB-CD2 3.7Å; F273-Y303 HydrophobicContact CB-CE2 3.59Å; F273-Y303 HydrophobicContact CB-CG 4.46Å; F273-Y303 AromaticContact CD1-CD1 3.77Å; F273-Y303 HydrophobicContact CD1-CD1 3.77Å; F273-Y303 AromaticContact CD1-CD2 3.89Å; F273-Y303 HydrophobicContact CD1-CD2 3.89Å; F273-Y303 AromaticContact CD1-CE1 3.71Å; F273-Y303 HydrophobicContact CD1-CE1 3.71Å; F273-Y303 AromaticContact CD1-CE2 3.81Å; F273-Y303 HydrophobicContact CD1-CE2 3.81Å; F273-Y303 AromaticContact CD1-CG 3.88Å; F273-Y303 HydrophobicContact CD1-CG 3.88Å; F273-Y303 AromaticContact CD1-CZ 3.71Å; F273-Y303 HydrophobicContact CE1-CD1 4.29Å; F273-Y303 HydrophobicContact CE1-CE1 4.3Å; F273-Y303 HydrophobicContact CG-CD2 4.24Å; F273-Y303 HydrophobicContact CG-CE2 4.2Å; F273-Y303 WeakPolarHBondContact O-CE2 3.3Å; F273-Y303 PolarHBondContact O-OH 3.46Å
274G85.4Confident83.1Confident33 Ų3363.1 Ų63.134%0.3435%0.352SS..  trans-79.397.6174.800000111.7K272 D276 A277 F278K272-G274 PolarHBondContact O-N 2.95Å; G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3.34Å; G274-A277 WeakPolarHBondContact O-CA 3.37Å; G274-A277 WeakPolarHBondContact O-CB 3.47Å; G274-A277 PolarHBondContact O-N 2.9Å; G274-F278 PolarHBondContact O-N 3.18Å
275M89Confident84.1Confident6 Ų660 Ų603%0.0335%0.346CS..Hα-helixtrans-52.1-44.6-179.7-177.458.272.700113.1F273 A277 F278 K279 Y303 F341 V360F273-M275 HydrophobicContact CD1-CE 4.43Å; F273-M275 HydrophobicContact CE1-CE 3.8Å; F273-M275 HydrophobicContact CE1-SD 4.18Å; F273-M275 PolarHBondContact O-N 3.1Å; M275-A277 VanDerWaalsContact C-N 3.33Å; M275-A277 PolarHBondContact O-N 3.38Å; M275-F278 PolarHBondContact O-N 3.14Å; M275-F278 HydrophobicContact SD-CD1 4.46Å; M275-K279 HydrophobicContact CG-CD 4.28Å; M275-K279 VanDerWaalsContact O-CG 3.31Å; M275-K279 WeakPolarHBondContact O-CG 3.42Å; M275-K279 PolarHBondContact O-N 3.12Å; M275-K279 HydrophobicContact SD-CD 4.5Å; M275-Y303 HydrophobicContact CB-CE1 4.49Å; M275-Y303 HydrophobicContact CE-CD1 3.94Å; M275-Y303 HydrophobicContact CE-CE1 3.59Å; M275-F341 HydrophobicContact CE-CB 4.33Å; M275-F341 HydrophobicContact SD-CB 3.66Å; M275-V360 HydrophobicContact CE-CG1 4.4Å
276D87.9Confident84.7Confident89 Ų8964 Ų6448%0.47637%0.367SS..Hα-helixtrans-65.7-34.2176.7-74-20.8000112.9G274 R280G274-D276 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3.34Å; D276-R280 WeakPolarHBondContact O-CG 3.48Å; D276-R280 PolarHBondContact O-N 2.96Å
277A90.2Very high85.3Confident30 Ų3063 Ų6325%0.24835%0.348CS..Hα-helixtrans-69.1-45.9177.200000110.5G274 M275 K279 R280 V281 Y293G274-A277 WeakPolarHBondContact O-CA 3.37Å; G274-A277 WeakPolarHBondContact O-CB 3.47Å; G274-A277 PolarHBondContact O-N 2.9Å; M275-A277 VanDerWaalsContact C-N 3.33Å; M275-A277 PolarHBondContact O-N 3.38Å; A277-K279 PolarHBondContact O-N 3.4Å; A277-R280 WeakPolarHBondContact O-CB 3.39Å; A277-R280 PolarHBondContact O-N 3.16Å; A277-V281 WeakPolarHBondContact O-CG2 3.31Å; A277-V281 PolarHBondContact O-N 2.82Å; A277-Y293 WeakPolarHBondContact CB-OH 3.47Å
278F92Very high85.9Confident0 Ų063 Ų630%034%0.337CS..Hα-helixtrans-58.1-45.2174.1169.8-111000112F273 G274 M275 R280 V281 F282 Y293 F294 F341 F401F273-F278 HydrophobicContact CE1-CB 4.33Å; F273-F278 HydrophobicContact CE1-CD1 4.48Å; F273-F278 HydrophobicContact CE2-CB 3.79Å; F273-F278 HydrophobicContact CE2-CD2 4.39Å; F273-F278 HydrophobicContact CE2-CG 4.03Å; F273-F278 HydrophobicContact CZ-CB 3.48Å; F273-F278 VanDerWaalsContact CZ-CB 3.48Å; F273-F278 AromaticContact CZ-CD1 3.76Å; F273-F278 HydrophobicContact CZ-CD1 3.76Å; F273-F278 HydrophobicContact CZ-CD2 4.2Å; F273-F278 AromaticContact CZ-CG 3.51Å; F273-F278 HydrophobicContact CZ-CG 3.51Å; G274-F278 PolarHBondContact O-N 3.18Å; M275-F278 PolarHBondContact O-N 3.14Å; M275-F278 HydrophobicContact SD-CD1 4.46Å; F278-R280 VanDerWaalsContact C-N 3.28Å; F278-R280 PolarHBondContact O-N 3.36Å; F278-V281 PolarHBondContact O-N 2.89Å; F278-V281 VanDerWaalsContact O-N 3.16Å; F278-F282 HydrophobicContact CE2-CB 4.31Å; F278-F282 HydrophobicContact CE2-CD2 4.49Å; F278-F282 HydrophobicContact CZ-CB 4.21Å; F278-F282 HydrophobicContact CZ-CD2 4.08Å; F278-F282 HydrophobicContact CZ-CG 4.41Å; F278-F282 WeakPolarHBondContact O-CB 3.3Å; F278-F282 PolarHBondContact O-N 2.88Å; F278-Y293 HydrophobicContact CB-CD1 4.37Å; F278-Y293 HydrophobicContact CB-CE1 4.08Å; F278-Y293 HydrophobicContact CD2-CD1 4.06Å; F278-F294 HydrophobicContact CD2-CB 4.18Å; F278-F294 HydrophobicContact CD2-CD2 4.34Å; F278-F294 HydrophobicContact CE2-CB 3.74Å; F278-F294 HydrophobicContact CE2-CD2 4.09Å; F278-F294 HydrophobicContact CE2-CG 4.31Å; F278-F294 HydrophobicContact CZ-CB 4.45Å; F278-F294 HydrophobicContact CZ-CD2 4.19Å; F278-F341 HydrophobicContact CD1-CG 4.43Å; F278-F341 HydrophobicContact CE1-CB 4.34Å; F278-F341 AromaticContact CE1-CD1 3.65Å; F278-F341 HydrophobicContact CE1-CD1 3.65Å; F278-F341 HydrophobicContact CE1-CD2 4.17Å; F278-F341 AromaticContact CE1-CE1 3.87Å; F278-F341 HydrophobicContact CE1-CE1 3.87Å; F278-F341 HydrophobicContact CE1-CE2 4.38Å; F278-F341 AromaticContact CE1-CG 3.79Å; F278-F341 HydrophobicContact CE1-CG 3.79Å; F278-F341 HydrophobicContact CE1-CZ 4.23Å; F278-F341 HydrophobicContact CZ-CD1 4.36Å; F278-F341 HydrophobicContact CZ-CE1 4.19Å; F278-F401 HydrophobicContact CE1-CE2 4.33Å; F278-F401 HydrophobicContact CE1-CZ 4.33Å; F278-F401 AromaticContact CE2-CE2 3.93Å; F278-F401 HydrophobicContact CE2-CE2 3.93Å; F278-F401 HydrophobicContact CZ-CD2 4.11Å; F278-F401 AromaticContact CZ-CE2 3.36Å; F278-F401 HydrophobicContact CZ-CE2 3.36Å; F278-F401 AromaticContact CZ-CZ 3.76Å; F278-F401 HydrophobicContact CZ-CZ 3.76Å
279K91.7Very high86.5Confident13 Ų1367.1 Ų67.16%0.05736%0.356CS..Hα-helixtrans-60.9-35.1177.8-74.9171.1178.5-175.30113.7M275 A277 S283 S337 A340 F341 K417M275-K279 HydrophobicContact CG-CD 4.28Å; M275-K279 VanDerWaalsContact O-CG 3.31Å; M275-K279 WeakPolarHBondContact O-CG 3.42Å; M275-K279 PolarHBondContact O-N 3.12Å; M275-K279 HydrophobicContact SD-CD 4.5Å; A277-K279 PolarHBondContact O-N 3.4Å; K279-S283 VanDerWaalsContact O-CB 3.31Å; K279-S283 WeakPolarHBondContact O-CB 2.95Å; K279-S283 PolarHBondContact O-N 3.04Å; K279-S283 VanDerWaalsContact O-N 3.09Å; K279-S283 PolarHBondContact O-OG 3.36Å; K279-S337 PolarHBondContact NZ-O 3.28Å; K279-A340 WeakPolarHBondContact CE-O 3.37Å; K279-A340 PolarHBondContact NZ-O 3.06Å; K279-F341 HydrophobicContact CG-CD2 3.99Å; K279-K417 HydrophobicContact CD-CB 4.07Å; K279-K417 WeakPolarHBondContact CD-OXT 3.48Å; K279-K417 VanDerWaalsContact CE-OXT 3.32Å; K279-K417 WeakPolarHBondContact CE-OXT 3.48Å; K279-K417 HydrophobicContact CG-CB 4.26Å; K279-K417 PolarHBondContact NZ-OXT 3.34Å
280R90.4Very high87.3Confident158 Ų15864.1 Ų64.160%0.59634%0.337SS*.Hα-helixtrans-67.8-47.1173.8-71.6174.5-162.2142.86.9110.8D276 A277 F278 S283 N284D276-R280 WeakPolarHBondContact O-CG 3.48Å; D276-R280 PolarHBondContact O-N 2.96Å; A277-R280 WeakPolarHBondContact O-CB 3.39Å; A277-R280 PolarHBondContact O-N 3.16Å; F278-R280 VanDerWaalsContact C-N 3.28Å; F278-R280 PolarHBondContact O-N 3.36Å; R280-S283 PolarHBondContact O-N 3.43Å; R280-N284 VanDerWaalsContact O-CB 3.29Å; R280-N284 WeakPolarHBondContact O-CB 3.37Å; R280-N284 VanDerWaalsContact O-CG 3.31Å; R280-N284 PolarHBondContact O-N 3.45Å; R280-N284 PolarHBondContact O-ND2 3.39Å
281V91.8Very high88.5Confident18 Ų1858.6 Ų58.611%0.10931%0.308CS..Hα-helixtrans-57.3-52.8175.2169.10000110.1A277 F278 S283 N284 M285 A290 Y293A277-V281 WeakPolarHBondContact O-CG2 3.31Å; A277-V281 PolarHBondContact O-N 2.82Å; F278-V281 PolarHBondContact O-N 2.89Å; F278-V281 VanDerWaalsContact O-N 3.16Å; V281-S283 PolarHBondContact O-N 3.06Å; V281-S283 VanDerWaalsContact O-N 3.16Å; V281-N284 PolarHBondContact O-N 3.11Å; V281-N284 VanDerWaalsContact O-N 3.16Å; V281-M285 HydrophobicContact CB-SD 4.19Å; V281-M285 HydrophobicContact CG1-CB 4.21Å; V281-M285 HydrophobicContact CG1-CG 4.33Å; V281-M285 HydrophobicContact CG1-SD 3.69Å; V281-M285 HydrophobicContact CG2-SD 3.98Å; V281-M285 VanDerWaalsContact O-CB 3.31Å; V281-M285 WeakPolarHBondContact O-CB 3.36Å; V281-M285 PolarHBondContact O-N 3.09Å; V281-A290 HydrophobicContact CG1-CB 4.09Å; V281-Y293 HydrophobicContact CB-CD1 4.31Å; V281-Y293 HydrophobicContact CB-CG 4.32Å; V281-Y293 HydrophobicContact CG1-CD1 4.29Å; V281-Y293 HydrophobicContact CG1-CD2 4.44Å; V281-Y293 HydrophobicContact CG1-CG 3.94Å; V281-Y293 HydrophobicContact CG2-CD1 4.18Å; V281-Y293 HydrophobicContact CG2-CD2 3.98Å; V281-Y293 HydrophobicContact CG2-CE1 4.22Å; V281-Y293 HydrophobicContact CG2-CE2 4.02Å; V281-Y293 HydrophobicContact CG2-CG 4.06Å
282F91.1Very high89.4Confident6 Ų659.4 Ų59.43%0.02631%0.306CS..Hα-helixtrans-59.4-31.3179.9-173.2-90.6000114.1F278 K287 A290 F341 I343 F401 I415F278-F282 HydrophobicContact CE2-CB 4.31Å; F278-F282 HydrophobicContact CE2-CD2 4.49Å; F278-F282 HydrophobicContact CZ-CB 4.21Å; F278-F282 HydrophobicContact CZ-CD2 4.08Å; F278-F282 HydrophobicContact CZ-CG 4.41Å; F278-F282 WeakPolarHBondContact O-CB 3.3Å; F278-F282 PolarHBondContact O-N 2.88Å; F282-K287 VanDerWaalsContact CE1-NZ 3.3Å; F282-K287 HydrophobicContact CE2-CD 4.27Å; F282-K287 HydrophobicContact CZ-CD 4.44Å; F282-K287 PolarHBondContact O-NZ 2.99Å; F282-A290 HydrophobicContact CB-CB 4.3Å; F282-A290 HydrophobicContact CD2-CB 3.95Å; F282-F341 AromaticContact CD1-CE2 3.91Å; F282-F341 HydrophobicContact CD1-CE2 3.91Å; F282-F341 AromaticContact CD1-CZ 3.67Å; F282-F341 HydrophobicContact CD1-CZ 3.67Å; F282-F341 HydrophobicContact CD2-CZ 4.12Å; F282-F341 HydrophobicContact CE1-CE2 4.23Å; F282-F341 AromaticContact CE1-CZ 3.68Å; F282-F341 HydrophobicContact CE1-CZ 3.68Å; F282-F341 HydrophobicContact CE2-CZ 4.13Å; F282-F341 HydrophobicContact CG-CE2 4.28Å; F282-F341 AromaticContact CG-CZ 3.9Å; F282-F341 HydrophobicContact CG-CZ 3.9Å; F282-F341 AromaticContact CZ-CZ 3.92Å; F282-F341 HydrophobicContact CZ-CZ 3.92Å; F282-I343 HydrophobicContact CE2-CD1 4.28Å; F282-I343 HydrophobicContact CZ-CD1 3.79Å; F282-F401 HydrophobicContact CD2-CD2 4.45Å; F282-F401 HydrophobicContact CE2-CB 3.95Å; F282-F401 HydrophobicContact CE2-CD1 4.4Å; F282-F401 HydrophobicContact CE2-CD2 4.32Å; F282-F401 AromaticContact CE2-CG 3.97Å; F282-F401 HydrophobicContact CE2-CG 3.97Å; F282-I415 HydrophobicContact CE1-CD1 3.97Å; F282-I415 HydrophobicContact CE1-CG2 4.47Å
283S88.4Confident90.1Very high53 Ų5353.6 Ų53.637%0.37128%0.28SS..Hα-helixtrans-83.3-28.3179.7-60.60000113.5K279 R280 V281 K417K279-S283 VanDerWaalsContact O-CB 3.31Å; K279-S283 WeakPolarHBondContact O-CB 2.95Å; K279-S283 PolarHBondContact O-N 3.04Å; K279-S283 VanDerWaalsContact O-N 3.09Å; K279-S283 PolarHBondContact O-OG 3.36Å; R280-S283 PolarHBondContact O-N 3.43Å; V281-S283 PolarHBondContact O-N 3.06Å; V281-S283 VanDerWaalsContact O-N 3.16Å; S283-K417 PolarHBondContact OG-NZ 3.16Å; S283-K417 VanDerWaalsContact OG-NZ 3.12Å
284N89.1Confident90.6Very high133 Ų13353.6 Ų53.671%0.71128%0.28SS*.Hα-helixtrans-115-22.1-167.5-62.6-24.3000114.3R280 V281R280-N284 VanDerWaalsContact O-CB 3.29Å; R280-N284 WeakPolarHBondContact O-CB 3.37Å; R280-N284 VanDerWaalsContact O-CG 3.31Å; R280-N284 PolarHBondContact O-N 3.45Å; R280-N284 PolarHBondContact O-ND2 3.39Å; V281-N284 PolarHBondContact O-N 3.11Å; V281-N284 VanDerWaalsContact O-N 3.16Å
285M89.7Confident91Very high99 Ų9955.3 Ų55.349%0.48828%0.276SS..SBendtrans-104171.5-176.6-65.8-177.8134.300111.4V281 E289V281-M285 HydrophobicContact CB-SD 4.19Å; V281-M285 HydrophobicContact CG1-CB 4.21Å; V281-M285 HydrophobicContact CG1-CG 4.33Å; V281-M285 HydrophobicContact CG1-SD 3.69Å; V281-M285 HydrophobicContact CG2-SD 3.98Å; V281-M285 VanDerWaalsContact O-CB 3.31Å; V281-M285 WeakPolarHBondContact O-CB 3.36Å; V281-M285 PolarHBondContact O-N 3.09Å; M285-E289 HydrophobicContact CB-CB 4.24Å; M285-E289 WeakPolarHBondContact CB-OE2 3.15Å
286D89.9Confident91.2Very high86 Ų8660.7 Ų60.746%0.4631%0.305SS..  trans-61.9153.1172.3-171.5-90.5000110.8E288 E289 A290D286-E288 VanDerWaalsContact C-N 3.3Å; D286-E288 PolarHBondContact O-N 3.32Å; D286-E288 WeakPolarHBondContact OD1-CB 3.3Å; D286-E288 PolarHBondContact OD1-N 3.34Å; D286-E289 HydrophobicContact CB-CB 4.47Å; D286-E289 HydrophobicContact CB-CG 4.21Å; D286-E289 PolarHBondContact O-N 2.88Å; D286-A290 PolarHBondContact O-N 3.09Å
287K88.9Confident91.4Very high55 Ų5559.2 Ų59.224%0.23930%0.297CS..Hα-helixtrans-66.2-33.8-177.3-61-50.5-171.6-177.90112.4F282 A290 V291 F401 T402F282-K287 VanDerWaalsContact CE1-NZ 3.3Å; F282-K287 HydrophobicContact CE2-CD 4.27Å; F282-K287 HydrophobicContact CZ-CD 4.44Å; F282-K287 PolarHBondContact O-NZ 2.99Å; K287-A290 PolarHBondContact O-N 3.1Å; K287-V291 WeakPolarHBondContact O-CG2 3.49Å; K287-V291 PolarHBondContact O-N 3.43Å; K287-F401 WeakPolarHBondContact CD-O 3.47Å; K287-T402 HydrophobicContact CB-CG2 3.98Å
288E91Very high91.4Very high100 Ų10059 Ų5947%0.46729%0.29SS..Hα-helixtrans-67.9-39.8175.7-63.4-61.7165.300111.2D286 A290 V291 S292 H398D286-E288 VanDerWaalsContact C-N 3.3Å; D286-E288 PolarHBondContact O-N 3.32Å; D286-E288 WeakPolarHBondContact OD1-CB 3.3Å; D286-E288 PolarHBondContact OD1-N 3.34Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 PolarHBondContact O-N 2.99Å; E288-V291 PolarHBondContact O-N 3.38Å; E288-S292 PolarHBondContact O-N 2.8Å; E288-H398 IonicContact OE1-CE1 3.43Å; E288-H398 PolarHBondContact OE1-CE1 3.25Å; E288-H398 IonicContact OE1-NE2 2.98Å; E288-H398 PolarHBondContact OE1-NE2 3.3Å; E288-H398 IonicContact OE2-CD2 3.76Å; E288-H398 IonicContact OE2-CE1 3.89Å; E288-H398 IonicContact OE2-NE2 2.9Å; E288-H398 PolarHBondContact OE2-NE2 2.93Å
289E91.4Very high91.3Very high107 Ų10760.2 Ų60.250%0.530%0.297SS..Hα-helixtrans-63.1-39.8173.6-67.4-178.9-177.400111.4M285 D286 S292 Y293M285-E289 HydrophobicContact CB-CB 4.24Å; M285-E289 WeakPolarHBondContact CB-OE2 3.15Å; D286-E289 HydrophobicContact CB-CB 4.47Å; D286-E289 HydrophobicContact CB-CG 4.21Å; D286-E289 PolarHBondContact O-N 2.88Å; E289-S292 PolarHBondContact O-N 3.26Å; E289-Y293 WeakPolarHBondContact O-CB 3.18Å; E289-Y293 PolarHBondContact O-N 3.25Å
290A91.5Very high91.2Very high0 Ų062.2 Ų62.20%031%0.312CS..Hα-helixtrans-67-36.8176.800000113V281 F282 D286 K287 E288 F294V281-A290 HydrophobicContact CG1-CB 4.09Å; F282-A290 HydrophobicContact CB-CB 4.3Å; F282-A290 HydrophobicContact CD2-CB 3.95Å; D286-A290 PolarHBondContact O-N 3.09Å; K287-A290 PolarHBondContact O-N 3.1Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 PolarHBondContact O-N 2.99Å; A290-F294 WeakPolarHBondContact O-CB 3.49Å; A290-F294 PolarHBondContact O-N 3.33Å
291V92.6Very high91Very high10 Ų1062.7 Ų62.76%0.06132%0.321CS..Hα-helixtrans-67.2-44.6173.81740000110.8K287 E288 F294 W295 F401 T402K287-V291 WeakPolarHBondContact O-CG2 3.49Å; K287-V291 PolarHBondContact O-N 3.43Å; E288-V291 PolarHBondContact O-N 3.38Å; V291-F294 WeakPolarHBondContact O-CB 3.17Å; V291-F294 PolarHBondContact O-N 3.33Å; V291-W295 PolarHBondContact O-N 2.86Å; V291-W295 VanDerWaalsContact O-N 3.14Å; V291-F401 HydrophobicContact CG2-CB 3.58Å; V291-F401 HydrophobicContact CG2-CD2 3.95Å; V291-F401 HydrophobicContact CG2-CG 4.25Å; V291-T402 HydrophobicContact CG2-CG2 4.11Å
292S93.2Very high90.8Very high62 Ų6262 Ų6243%0.43432%0.317SS..Hα-helixtrans-58.7-51.1174.8-167.20000110.7E288 E289 F294 W295 D296E288-S292 PolarHBondContact O-N 2.8Å; E289-S292 PolarHBondContact O-N 3.26Å; S292-F294 VanDerWaalsContact C-N 3.26Å; S292-F294 PolarHBondContact O-N 3.11Å; S292-W295 PolarHBondContact O-N 3.31Å; S292-W295 VanDerWaalsContact O-N 3.15Å; S292-D296 WeakPolarHBondContact O-CB 3.48Å; S292-D296 PolarHBondContact O-N 3.07Å; S292-D296 VanDerWaalsContact O-OD2 3.1Å; S292-D296 PolarHBondContact OG-OD2 3.08Å; S292-D296 VanDerWaalsContact OG-OD2 3.1Å
293Y92.9Very high90.8Very high67 Ų6762 Ų6226%0.26332%0.317SS..Hα-helixtrans-57.6-40.1178.8-175.1-84000112.2A277 F278 V281 E289 N297A277-Y293 WeakPolarHBondContact CB-OH 3.47Å; F278-Y293 HydrophobicContact CB-CD1 4.37Å; F278-Y293 HydrophobicContact CB-CE1 4.08Å; F278-Y293 HydrophobicContact CD2-CD1 4.06Å; V281-Y293 HydrophobicContact CB-CD1 4.31Å; V281-Y293 HydrophobicContact CB-CG 4.32Å; V281-Y293 HydrophobicContact CG1-CD1 4.29Å; V281-Y293 HydrophobicContact CG1-CD2 4.44Å; V281-Y293 HydrophobicContact CG1-CG 3.94Å; V281-Y293 HydrophobicContact CG2-CD1 4.18Å; V281-Y293 HydrophobicContact CG2-CD2 3.98Å; V281-Y293 HydrophobicContact CG2-CE1 4.22Å; V281-Y293 HydrophobicContact CG2-CE2 4.02Å; V281-Y293 HydrophobicContact CG2-CG 4.06Å; E289-Y293 WeakPolarHBondContact O-CB 3.18Å; E289-Y293 PolarHBondContact O-N 3.25Å; Y293-N297 HydrophobicContact CE1-CB 4.48Å; Y293-N297 WeakPolarHBondContact O-CB 3.45Å; Y293-N297 PolarHBondContact O-N 3.19Å; Y293-N297 PolarHBondContact O-ND2 3.11Å
294F93.5Very high90.9Very high0 Ų059.7 Ų59.70%030%0.301CS..Hα-helixtrans-57.2-55.6175.8176.7-106.9000110.9F273 F278 A290 V291 S292 D296 N297 F298 I305 V360 V397 F401F273-F294 AromaticContact CE2-CD2 3.9Å; F273-F294 HydrophobicContact CE2-CD2 3.9Å; F273-F294 HydrophobicContact CE2-CE2 4.33Å; F273-F294 AromaticContact CZ-CD2 3.73Å; F273-F294 HydrophobicContact CZ-CD2 3.73Å; F273-F294 AromaticContact CZ-CE2 3.94Å; F273-F294 HydrophobicContact CZ-CE2 3.94Å; F278-F294 HydrophobicContact CD2-CB 4.18Å; F278-F294 HydrophobicContact CD2-CD2 4.34Å; F278-F294 HydrophobicContact CE2-CB 3.74Å; F278-F294 HydrophobicContact CE2-CD2 4.09Å; F278-F294 HydrophobicContact CE2-CG 4.31Å; F278-F294 HydrophobicContact CZ-CB 4.45Å; F278-F294 HydrophobicContact CZ-CD2 4.19Å; A290-F294 WeakPolarHBondContact O-CB 3.49Å; A290-F294 PolarHBondContact O-N 3.33Å; V291-F294 WeakPolarHBondContact O-CB 3.17Å; V291-F294 PolarHBondContact O-N 3.33Å; S292-F294 VanDerWaalsContact C-N 3.26Å; S292-F294 PolarHBondContact O-N 3.11Å; F294-D296 PolarHBondContact O-N 3.16Å; F294-N297 PolarHBondContact O-N 3.06Å; F294-F298 HydrophobicContact CE1-CD2 4.22Å; F294-F298 HydrophobicContact CE1-CG 4.45Å; F294-F298 AromaticContact CE2-CD2 3.64Å; F294-F298 HydrophobicContact CE2-CD2 3.64Å; F294-F298 HydrophobicContact CE2-CE2 4.25Å; F294-F298 HydrophobicContact CE2-CG 4.46Å; F294-F298 HydrophobicContact CZ-CB 4.47Å; F294-F298 AromaticContact CZ-CD2 3.41Å; F294-F298 HydrophobicContact CZ-CD2 3.41Å; F294-F298 VanDerWaalsContact CZ-CD2 3.41Å; F294-F298 AromaticContact CZ-CE2 3.83Å; F294-F298 HydrophobicContact CZ-CE2 3.83Å; F294-F298 HydrophobicContact CZ-CG 4.07Å; F294-F298 WeakPolarHBondContact O-CA 3.37Å; F294-F298 WeakPolarHBondContact O-CB 3.13Å; F294-F298 PolarHBondContact O-N 3.14Å; F294-I305 HydrophobicContact CE1-CD1 4.07Å; F294-I305 HydrophobicContact CZ-CD1 3.99Å; F294-I305 HydrophobicContact CZ-CG1 4.29Å; F294-V360 HydrophobicContact CE2-CB 4.41Å; F294-V360 HydrophobicContact CE2-CG1 3.98Å; F294-V360 HydrophobicContact CE2-CG2 3.88Å; F294-V360 HydrophobicContact CZ-CG1 4.29Å; F294-V360 HydrophobicContact CZ-CG2 3.81Å; F294-V397 HydrophobicContact CD1-CG1 4.02Å; F294-V397 HydrophobicContact CE1-CG1 4.01Å; F294-F401 HydrophobicContact CB-CE2 4.07Å; F294-F401 HydrophobicContact CD1-CE2 4.16Å; F294-F401 HydrophobicContact CD2-CE2 4.13Å; F294-F401 HydrophobicContact CD2-CZ 4.5Å; F294-F401 AromaticContact CG-CE2 3.84Å; F294-F401 HydrophobicContact CG-CE2 3.84Å
295W94.1Very high91.2Very high69 Ų6953.5 Ų53.526%0.26127%0.267SS..Hα-helixtrans-69.8-32.5-176.4-69.9114.6000113.7V291 S292 N297 F298 I305 H388 K394 V397V291-W295 PolarHBondContact O-N 2.86Å; V291-W295 VanDerWaalsContact O-N 3.14Å; S292-W295 PolarHBondContact O-N 3.31Å; S292-W295 VanDerWaalsContact O-N 3.15Å; W295-N297 VanDerWaalsContact C-N 3.26Å; W295-N297 PolarHBondContact O-N 2.85Å; W295-F298 HydrophobicContact CZ3-CD1 4.5Å; W295-I305 HydrophobicContact CH2-CD1 3.78Å; W295-I305 HydrophobicContact CZ3-CD1 4.23Å; W295-H388 HydrophobicContact CZ3-CB 4.3Å; W295-K394 HydrophobicContact CH2-CG 3.99Å; W295-K394 HydrophobicContact CZ2-CB 4.29Å; W295-K394 HydrophobicContact CZ2-CG 3.85Å; W295-V397 HydrophobicContact CH2-CG2 4.42Å; W295-V397 HydrophobicContact CZ2-CB 3.92Å; W295-V397 HydrophobicContact CZ2-CG1 4.03Å; W295-V397 HydrophobicContact CZ2-CG2 3.9Å
296D92.8Very high91.4Very high120 Ų12049.9 Ų49.964%0.64225%0.248SC*.Hα-helixtrans-68.4-26.9177.2-67.8-30.2000112.6S292 F294S292-D296 WeakPolarHBondContact O-CB 3.48Å; S292-D296 PolarHBondContact O-N 3.07Å; S292-D296 VanDerWaalsContact O-OD2 3.1Å; S292-D296 PolarHBondContact OG-OD2 3.08Å; S292-D296 VanDerWaalsContact OG-OD2 3.1Å; F294-D296 PolarHBondContact O-N 3.16Å
297N92.5Very high91.5Very high58 Ų5846.8 Ų46.831%0.3123%0.233SC..Hα-helixtrans-111.9-9.3-176.3-64.9-89.1000113.8F273 Y293 F294 W295 D299F273-N297 VanDerWaalsContact CB-O 3.32Å; F273-N297 WeakPolarHBondContact CB-O 3.41Å; F273-N297 HydrophobicContact CD2-CB 3.83Å; F273-N297 WeakPolarHBondContact CD2-O 3.15Å; F273-N297 HydrophobicContact CE2-CB 4.41Å; Y293-N297 HydrophobicContact CE1-CB 4.48Å; Y293-N297 WeakPolarHBondContact O-CB 3.45Å; Y293-N297 PolarHBondContact O-N 3.19Å; Y293-N297 PolarHBondContact O-ND2 3.11Å; F294-N297 PolarHBondContact O-N 3.06Å; W295-N297 VanDerWaalsContact C-N 3.26Å; W295-N297 PolarHBondContact O-N 2.85Å; N297-D299 PolarHBondContact O-N 2.98Å
298F91.4Very high91.6Very high24 Ų2444.3 Ų44.311%0.10522%0.223CC..  trans-61.6125.9-175.4-176.4-106.9000110.5F294 W295 P300 I305 V360 H388F294-F298 HydrophobicContact CE1-CD2 4.22Å; F294-F298 HydrophobicContact CE1-CG 4.45Å; F294-F298 AromaticContact CE2-CD2 3.64Å; F294-F298 HydrophobicContact CE2-CD2 3.64Å; F294-F298 HydrophobicContact CE2-CE2 4.25Å; F294-F298 HydrophobicContact CE2-CG 4.46Å; F294-F298 HydrophobicContact CZ-CB 4.47Å; F294-F298 AromaticContact CZ-CD2 3.41Å; F294-F298 HydrophobicContact CZ-CD2 3.41Å; F294-F298 VanDerWaalsContact CZ-CD2 3.41Å; F294-F298 AromaticContact CZ-CE2 3.83Å; F294-F298 HydrophobicContact CZ-CE2 3.83Å; F294-F298 HydrophobicContact CZ-CG 4.07Å; F294-F298 WeakPolarHBondContact O-CA 3.37Å; F294-F298 WeakPolarHBondContact O-CB 3.13Å; F294-F298 PolarHBondContact O-N 3.14Å; W295-F298 HydrophobicContact CZ3-CD1 4.5Å; F298-P300 HydrophobicContact CD1-CB 4.4Å; F298-P300 HydrophobicContact CE1-CB 3.9Å; F298-P300 WeakPolarHBondContact O-CD 3.38Å; F298-I305 HydrophobicContact CE1-CD1 4.31Å; F298-I305 HydrophobicContact CE1-CG1 4.43Å; F298-I305 HydrophobicContact CE2-CD1 4.26Å; F298-I305 HydrophobicContact CE2-CG1 3.86Å; F298-I305 HydrophobicContact CZ-CD1 3.98Å; F298-I305 HydrophobicContact CZ-CG1 3.65Å; F298-V360 HydrophobicContact CE2-CG1 4.04Å; F298-H388 HydrophobicContact CD1-CB 4.44Å; F298-H388 HydrophobicContact CE1-CB 3.78Å
299D90.3Very high91.5Very high27 Ų2741.4 Ų41.414%0.14421%0.214CC..  trans-109.997.2-178.6-176-11.6000108.7G271 K272 F273 N297 E301 A302 Y303G271-D299 WeakPolarHBondContact CA-OD2 3.48Å; K272-D299 PolarHBondContact N-OD2 2.78Å; F273-D299 HydrophobicContact CB-CB 4.2Å; N297-D299 PolarHBondContact O-N 2.98Å; D299-E301 PolarHBondContact O-N 2.76Å; D299-E301 PolarHBondContact OD1-N 3.31Å; D299-A302 HydrophobicContact CB-CB 4.2Å; D299-A302 PolarHBondContact O-N 3.22Å; D299-A302 VanDerWaalsContact O-N 3.1Å; D299-A302 PolarHBondContact OD1-N 3.29Å; D299-Y303 HydrophobicContact CB-CD2 4.41Å; D299-Y303 PolarHBondContact O-N 2.9Å
300P88.5Confident91.4Very high55 Ų5537.5 Ų37.536%0.35719%0.194SC..THydrogen-bonded Turntrans-67.5-15-174.627.4-35.2000113.6F298F298-P300 HydrophobicContact CD1-CB 4.4Å; F298-P300 HydrophobicContact CE1-CB 3.9Å; F298-P300 WeakPolarHBondContact O-CD 3.38Å
301E85.8Confident91.1Very high168 Ų16842.2 Ų42.279%0.78522%0.219SC*.THydrogen-bonded Turntrans-79.3-33.1174-61.8-170.2167.400111.5D299D299-E301 PolarHBondContact O-N 2.76Å; D299-E301 PolarHBondContact OD1-N 3.31Å
302A88.4Confident90.7Very high4 Ų447 Ų473%0.03324%0.239CC..THydrogen-bonded Turntrans-100.7-23-176.900000114P269 D299 A362 G363P269-A302 HydrophobicContact CB-CB 4.04Å; P269-A302 HydrophobicContact CG-CB 4.15Å; D299-A302 HydrophobicContact CB-CB 4.2Å; D299-A302 PolarHBondContact O-N 3.22Å; D299-A302 VanDerWaalsContact O-N 3.1Å; D299-A302 PolarHBondContact OD1-N 3.29Å; A302-A362 CarbonylContact O-C 3.54Å; A302-A362 WeakPolarHBondContact O-CA 3.49Å; A302-G363 PolarHBondContact O-N 3.38Å
303Y91.4Very high90.1Very high6 Ų645.6 Ų45.62%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-129.3153.9-175.9-71.2-97.3000111.7L270 F273 M275 D299 V360 W361 A362L270-Y303 WeakPolarHBondContact O-CE2 3.33Å; L270-Y303 PolarHBondContact O-OH 2.82Å; F273-Y303 HydrophobicContact CB-CD2 3.7Å; F273-Y303 HydrophobicContact CB-CE2 3.59Å; F273-Y303 HydrophobicContact CB-CG 4.46Å; F273-Y303 AromaticContact CD1-CD1 3.77Å; F273-Y303 HydrophobicContact CD1-CD1 3.77Å; F273-Y303 AromaticContact CD1-CD2 3.89Å; F273-Y303 HydrophobicContact CD1-CD2 3.89Å; F273-Y303 AromaticContact CD1-CE1 3.71Å; F273-Y303 HydrophobicContact CD1-CE1 3.71Å; F273-Y303 AromaticContact CD1-CE2 3.81Å; F273-Y303 HydrophobicContact CD1-CE2 3.81Å; F273-Y303 AromaticContact CD1-CG 3.88Å; F273-Y303 HydrophobicContact CD1-CG 3.88Å; F273-Y303 AromaticContact CD1-CZ 3.71Å; F273-Y303 HydrophobicContact CE1-CD1 4.29Å; F273-Y303 HydrophobicContact CE1-CE1 4.3Å; F273-Y303 HydrophobicContact CG-CD2 4.24Å; F273-Y303 HydrophobicContact CG-CE2 4.2Å; F273-Y303 WeakPolarHBondContact O-CE2 3.3Å; F273-Y303 PolarHBondContact O-OH 3.46Å; M275-Y303 HydrophobicContact CB-CE1 4.49Å; M275-Y303 HydrophobicContact CE-CD1 3.94Å; M275-Y303 HydrophobicContact CE-CE1 3.59Å; D299-Y303 HydrophobicContact CB-CD2 4.41Å; D299-Y303 PolarHBondContact O-N 2.9Å; Y303-V360 HydrophobicContact CD1-CG1 4.34Å; Y303-W361 VanDerWaalsContact CA-O 3.31Å; Y303-W361 WeakPolarHBondContact CA-O 3.34Å; Y303-W361 WeakPolarHBondContact CD1-O 3.34Å; Y303-A362 HydrophobicContact CD1-CB 4.14Å; Y303-A362 HydrophobicContact CE1-CB 3.65Å
304S91Very high89.5Confident4 Ų450.6 Ų50.63%0.02826%0.261CS..EExtended strand (participates in β ladder)trans-133.1152174.453.80000112W306 V360 W361 G363S304-W306 PolarHBondContact OG-NE1 2.67Å; S304-V360 WeakPolarHBondContact O-CA 3.22Å; S304-W361 PolarHBondContact N-O 2.93Å; S304-W361 PolarHBondContact O-N 3.15Å; S304-G363 WeakPolarHBondContact CB-O 3.4Å; S304-G363 PolarHBondContact N-O 3.35Å; S304-G363 PolarHBondContact OG-O 2.71Å
305I93.9Very high88.9Confident2 Ų254.1 Ų54.11%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-105.3133.9178.1-49.9176.6000107.8F294 W295 F298 I358 W359 V360 L386 H388 T393 V397F294-I305 HydrophobicContact CE1-CD1 4.07Å; F294-I305 HydrophobicContact CZ-CD1 3.99Å; F294-I305 HydrophobicContact CZ-CG1 4.29Å; W295-I305 HydrophobicContact CH2-CD1 3.78Å; W295-I305 HydrophobicContact CZ3-CD1 4.23Å; F298-I305 HydrophobicContact CE1-CD1 4.31Å; F298-I305 HydrophobicContact CE1-CG1 4.43Å; F298-I305 HydrophobicContact CE2-CD1 4.26Å; F298-I305 HydrophobicContact CE2-CG1 3.86Å; F298-I305 HydrophobicContact CZ-CD1 3.98Å; F298-I305 HydrophobicContact CZ-CG1 3.65Å; I305-I358 HydrophobicContact CG2-CD1 4.04Å; I305-I358 HydrophobicContact CG2-CG1 4.07Å; I305-W359 CarbonylContact C-O 3.55Å; I305-W359 WeakPolarHBondContact CA-O 3.49Å; I305-V360 HydrophobicContact CG1-CG2 4.31Å; I305-V360 HydrophobicContact CG2-CG2 4.44Å; I305-L386 HydrophobicContact CB-CB 4.38Å; I305-L386 HydrophobicContact CG2-CB 4.37Å; I305-L386 HydrophobicContact CG2-CD1 4.09Å; I305-L386 PolarHBondContact O-N 3.47Å; I305-H388 HydrophobicContact CD1-CB 4.25Å; I305-T393 HydrophobicContact CD1-CG2 4.15Å; I305-T393 HydrophobicContact CG2-CG2 4.38Å; I305-V397 HydrophobicContact CD1-CG2 4.28Å; I305-V397 HydrophobicContact CG2-CG2 4.2Å
306W93.8Very high88.4Confident24 Ų2451.4 Ų51.49%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-132.7140.1-177.6-6777.1000110.6S304 I358 W359 W361 L366 W383 E384 K385S304-W306 PolarHBondContact OG-NE1 2.67Å; W306-I358 CarbonylContact O-C 3.6Å; W306-I358 WeakPolarHBondContact O-CA 3.43Å; W306-W359 HydrophobicContact CB-CB 4.38Å; W306-W359 PolarHBondContact N-O 2.89Å; W306-W359 PolarHBondContact O-N 3.4Å; W306-W361 HydrophobicContact CB-CH2 3.67Å; W306-W361 HydrophobicContact CB-CZ2 3.93Å; W306-W361 HydrophobicContact CB-CZ3 4.26Å; W306-W361 AromaticContact CD1-CE2 3.29Å; W306-W361 AromaticContact CD1-CH2 3.78Å; W306-W361 AromaticContact CD1-CZ2 3.14Å; W306-W361 AromaticContact CD1-NE1 3.62Å; W306-W361 AromaticContact CD2-CH2 3.95Å; W306-W361 HydrophobicContact CD2-CH2 3.95Å; W306-W361 AromaticContact CD2-CZ2 3.42Å; W306-W361 HydrophobicContact CD2-CZ2 3.42Å; W306-W361 VanDerWaalsContact CD2-CZ2 3.42Å; W306-W361 AromaticContact CE2-CE2 3.97Å; W306-W361 AromaticContact CE2-CZ2 3.47Å; W306-W361 VanDerWaalsContact CE2-CZ2 3.47Å; W306-W361 HydrophobicContact CE3-CZ2 4.23Å; W306-W361 AromaticContact CG-CE2 3.88Å; W306-W361 AromaticContact CG-CH2 3.52Å; W306-W361 HydrophobicContact CG-CH2 3.52Å; W306-W361 AromaticContact CG-CZ2 3.23Å; W306-W361 HydrophobicContact CG-CZ2 3.23Å; W306-W361 HydrophobicContact CG-CZ3 4.39Å; W306-W361 HydrophobicContact CZ2-CZ2 4.29Å; W306-W361 AromaticContact NE1-CE2 3.36Å; W306-W361 AromaticContact NE1-CZ2 3.3Å; W306-W361 VanDerWaalsContact NE1-CZ2 3.3Å; W306-W361 AromaticContact NE1-NE1 3.26Å; W306-L366 HydrophobicContact CD2-CD1 4.49Å; W306-L366 HydrophobicContact CE3-CD1 4.06Å; W306-L366 HydrophobicContact CH2-CB 4.07Å; W306-L366 HydrophobicContact CH2-CD1 4.21Å; W306-L366 HydrophobicContact CZ2-CB 4.47Å; W306-L366 HydrophobicContact CZ3-CD1 3.91Å; W306-W383 HydrophobicContact CB-CE3 4.49Å; W306-W383 HydrophobicContact CE3-CB 3.97Å; W306-W383 HydrophobicContact CZ3-CB 4.15Å; W306-E384 CarbonylContact C-O 3.5Å; W306-E384 VanDerWaalsContact CA-O 3.27Å; W306-E384 WeakPolarHBondContact CA-O 3.49Å; W306-E384 VanDerWaalsContact CE3-C 3.49Å; W306-K385 HydrophobicContact CD2-CB 3.95Å; W306-K385 HydrophobicContact CD2-CG 4.33Å; W306-K385 HydrophobicContact CE3-CB 3.89Å; W306-K385 HydrophobicContact CH2-CB 3.79Å; W306-K385 HydrophobicContact CH2-CD 4.47Å; W306-K385 HydrophobicContact CH2-CG 4.45Å; W306-K385 HydrophobicContact CZ2-CB 3.81Å; W306-K385 HydrophobicContact CZ2-CD 3.94Å; W306-K385 HydrophobicContact CZ2-CG 3.98Å; W306-K385 HydrophobicContact CZ3-CB 3.82Å
307S91.7Very high88Confident21 Ų2148.5 Ų48.515%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-101.2145.7164.152.20000110.4G357 E384S307-G357 CarbonylContact C-O 3.53Å; S307-G357 WeakPolarHBondContact CA-O 3.46Å; S307-E384 PolarHBondContact N-O 3.35Å; S307-E384 PolarHBondContact O-N 3.27Å
308C91.8Very high87.6Confident2 Ų248.6 Ų48.61%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-127149.1171.172.40000112.6K356 G357 S382 W383C308-K356 CarbonylContact O-C 3.55Å; C308-K356 VanDerWaalsContact O-CA 3.26Å; C308-K356 WeakPolarHBondContact O-CA 3.3Å; C308-G357 PolarHBondContact N-O 3.25Å; C308-G357 PolarHBondContact O-N 3.43Å; C308-S382 WeakPolarHBondContact CA-O 3.3Å; C308-W383 HydrophobicContact CB-CD2 3.99Å; C308-W383 HydrophobicContact CB-CE3 3.59Å; C308-W383 HydrophobicContact CB-CH2 3.89Å; C308-W383 HydrophobicContact CB-CZ2 4.24Å; C308-W383 HydrophobicContact CB-CZ3 3.55Å
309S89.2Confident87.1Confident40 Ų4048.5 Ų48.528%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-136.8136.4173.4-66.80000109.6I355 Y381 S382S309-I355 WeakPolarHBondContact CA-O 3.45Å; S309-Y381 CarbonylContact O-C 3.56Å; S309-Y381 VanDerWaalsContact O-CA 3.25Å; S309-Y381 WeakPolarHBondContact O-CA 3.45Å; S309-S382 PolarHBondContact N-O 2.99Å; S309-S382 VanDerWaalsContact N-O 3.15Å; S309-S382 PolarHBondContact O-N 2.91Å; S309-S382 PolarHBondContact O-OG 3.31Å
310Y89.8Confident86.7Confident24 Ų2452.5 Ų52.59%0.09428%0.279CS..EExtended strand (participates in β ladder)trans-76.1126.2-177.6-173.1-111.2000111.7F312 S313 L316 L325 I355 S380 Y381Y310-F312 VanDerWaalsContact C-N 3.35Å; Y310-F312 HydrophobicContact CD1-CB 4.35Å; Y310-F312 VanDerWaalsContact CE1-C 3.42Å; Y310-F312 HydrophobicContact CE1-CB 3.68Å; Y310-F312 WeakPolarHBondContact CE1-O 3.13Å; Y310-F312 HydrophobicContact CE2-CD2 4.49Å; Y310-F312 PolarHBondContact O-N 3.5Å; Y310-S313 PolarHBondContact O-OG 3.22Å; Y310-L316 HydrophobicContact CD1-CD1 3.71Å; Y310-L316 HydrophobicContact CD1-CD2 4.27Å; Y310-L316 HydrophobicContact CD1-CG 4.07Å; Y310-L316 HydrophobicContact CE1-CD1 3.91Å; Y310-L316 HydrophobicContact CE1-CD2 3.62Å; Y310-L316 HydrophobicContact CE1-CG 3.74Å; Y310-L325 HydrophobicContact CE2-CD2 4.25Å; Y310-I355 HydrophobicContact CD1-CD1 4.36Å; Y310-I355 HydrophobicContact CD2-CD1 4.29Å; Y310-I355 HydrophobicContact CG-CD1 4.08Å; Y310-I355 PolarHBondContact N-O 3.39Å; Y310-S380 VanDerWaalsContact CD2-O 3.26Å; Y310-S380 WeakPolarHBondContact CD2-O 3.41Å; Y310-Y381 AromaticContact CD2-CD1 3.95Å; Y310-Y381 HydrophobicContact CD2-CD1 3.95Å; Y310-Y381 AromaticContact CD2-CE1 3.56Å; Y310-Y381 HydrophobicContact CD2-CE1 3.56Å; Y310-Y381 HydrophobicContact CD2-CE2 4.18Å; Y310-Y381 HydrophobicContact CD2-CG 4.41Å; Y310-Y381 AromaticContact CD2-CZ 3.7Å; Y310-Y381 HydrophobicContact CG-CD1 4.47Å; Y310-Y381 HydrophobicContact CG-CE1 4.15Å
311L83.8Confident86.5Confident99 Ų9954.2 Ų54.252%0.51828%0.284SS..THydrogen-bonded Turntrans-74.6-24.5-172.7-67.1175.8000113.1E379 S380L311-E379 WeakPolarHBondContact CD1-O 3.41Å; L311-S380 PolarHBondContact N-O 3.43Å
312F84.9Confident86.5Confident110 Ų11046.3 Ų46.348%0.48225%0.247SC..THydrogen-bonded Turntrans-110.945.7-170.5-52.6-70.3000112.3Y310 D314 S315Y310-F312 VanDerWaalsContact C-N 3.35Å; Y310-F312 HydrophobicContact CD1-CB 4.35Å; Y310-F312 VanDerWaalsContact CE1-C 3.42Å; Y310-F312 HydrophobicContact CE1-CB 3.68Å; Y310-F312 WeakPolarHBondContact CE1-O 3.13Å; Y310-F312 HydrophobicContact CE2-CD2 4.49Å; Y310-F312 PolarHBondContact O-N 3.5Å; F312-D314 PolarHBondContact O-N 2.98Å; F312-D314 VanDerWaalsContact O-N 3.14Å; F312-S315 WeakPolarHBondContact O-CB 3.28Å; F312-S315 PolarHBondContact O-N 3.21Å; F312-S315 PolarHBondContact O-OG 2.68Å
313S80.5Confident86.4Confident34 Ų3446.1 Ų46.124%0.23825%0.246CC..G310 helixtrans-58.5-30.6-174.8-58.70000112.5Y310 S315 L316 T354Y310-S313 PolarHBondContact O-OG 3.22Å; S313-S315 PolarHBondContact O-N 2.99Å; S313-L316 WeakPolarHBondContact O-CB 3.29Å; S313-L316 PolarHBondContact O-N 3Å; S313-L316 VanDerWaalsContact O-N 3.08Å; S313-T354 WeakPolarHBondContact OG-CB 3.28Å; S313-T354 PolarHBondContact OG-OG1 3.23Å
314D79.8Confident86.3Confident172 Ų17250.2 Ų50.292%0.9227%0.268SS*.G310 helixtrans-65.9-17.3176.3-57.8-24.5000114.3F312F312-D314 PolarHBondContact O-N 2.98Å; F312-D314 VanDerWaalsContact O-N 3.14Å
315S80.8Confident86.2Confident73 Ų7352.7 Ų52.751%0.5128%0.28SS..G310 helixtrans-86.9-10175.771.30000113.3F312 S313F312-S315 WeakPolarHBondContact O-CB 3.28Å; F312-S315 PolarHBondContact O-N 3.21Å; F312-S315 PolarHBondContact O-OG 2.68Å; S313-S315 PolarHBondContact O-N 2.99Å
316L83.4Confident86Confident12 Ų1252.6 Ų52.66%0.06328%0.28CS..  trans-84127.1-177.1-59.2179000110.3Y310 S313 T322 L325 N353 I355Y310-L316 HydrophobicContact CD1-CD1 3.71Å; Y310-L316 HydrophobicContact CD1-CD2 4.27Å; Y310-L316 HydrophobicContact CD1-CG 4.07Å; Y310-L316 HydrophobicContact CE1-CD1 3.91Å; Y310-L316 HydrophobicContact CE1-CD2 3.62Å; Y310-L316 HydrophobicContact CE1-CG 3.74Å; S313-L316 WeakPolarHBondContact O-CB 3.29Å; S313-L316 PolarHBondContact O-N 3Å; S313-L316 VanDerWaalsContact O-N 3.08Å; L316-T322 HydrophobicContact CD1-CG2 3.87Å; L316-T322 HydrophobicContact CD2-CG2 4.15Å; L316-L325 HydrophobicContact CD2-CD1 4.11Å; L316-N353 WeakPolarHBondContact CB-OD1 3.41Å; L316-N353 WeakPolarHBondContact CD1-O 3.42Å; L316-I355 HydrophobicContact CD1-CD1 4.18Å; L316-I355 HydrophobicContact CD1-CG1 4.03Å
317T85.5Confident85.8Confident59 Ų5955.1 Ų55.136%0.36229%0.293SS..  trans-104-100.3179.6570000110.2M321 N351 N353T317-M321 PolarHBondContact OG1-SD 3.11Å; T317-N351 WeakPolarHBondContact O-CA 3.23Å; T317-N351 PolarHBondContact O-N 3.1Å; T317-N353 PolarHBondContact O-ND2 3.47Å
318L83.8Confident85.6Confident60 Ų6054.8 Ų54.831%0.31429%0.292SS..SBendtrans-82139.1-174.3-53.8175.3000110.4F320 M321 T322 D350L318-F320 HydrophobicContact CB-CD1 3.72Å; L318-F320 HydrophobicContact CB-CE1 3.57Å; L318-F320 HydrophobicContact CB-CZ 4.44Å; L318-F320 HydrophobicContact CD1-CD1 4.41Å; L318-F320 HydrophobicContact CD1-CE1 3.46Å; L318-F320 VanDerWaalsContact CD1-CE1 3.46Å; L318-F320 HydrophobicContact CD1-CZ 4.07Å; L318-F320 HydrophobicContact CG-CE1 4.14Å; L318-F320 PolarHBondContact O-N 3.12Å; L318-F320 VanDerWaalsContact O-N 3.11Å; L318-M321 HydrophobicContact CB-CG 4.2Å; L318-M321 HydrophobicContact CB-SD 4.3Å; L318-M321 HydrophobicContact CD1-SD 4.33Å; L318-M321 HydrophobicContact CG-SD 4.4Å; L318-M321 WeakPolarHBondContact O-CA 3.46Å; L318-M321 WeakPolarHBondContact O-CB 3.34Å; L318-M321 PolarHBondContact O-N 3.35Å; L318-T322 PolarHBondContact O-N 3.37Å; L318-T322 VanDerWaalsContact O-N 3.11Å; L318-T322 PolarHBondContact O-OG1 2.91Å; L318-D350 HydrophobicContact CD2-CB 3.97Å
319M82.1Confident85.6Confident22 Ų2254.8 Ų54.811%0.10829%0.292CS..Hα-helixtrans-57.5-32.8-175.3-68.8-174.3-52.500113.1M321 T322 G323 D350 R410M319-M321 VanDerWaalsContact C-N 3.34Å; M319-T322 WeakPolarHBondContact O-CB 3.36Å; M319-T322 PolarHBondContact O-N 3.34Å; M319-G323 PolarHBondContact O-N 2.93Å; M319-D350 WeakPolarHBondContact CG-OD1 3.03Å; M319-D350 PolarHBondContact N-OD1 3.16Å; M319-R410 HydrophobicContact CE-CB 3.92Å; M319-R410 HydrophobicContact SD-CB 4.18Å
320F80.7Confident85.7Confident111 Ų11154.2 Ų54.249%0.48729%0.285SS..Hα-helixtrans-69.5-32.1176.281.3-93.8000112.2L318 G323 N324L318-F320 HydrophobicContact CB-CD1 3.72Å; L318-F320 HydrophobicContact CB-CE1 3.57Å; L318-F320 HydrophobicContact CB-CZ 4.44Å; L318-F320 HydrophobicContact CD1-CD1 4.41Å; L318-F320 HydrophobicContact CD1-CE1 3.46Å; L318-F320 VanDerWaalsContact CD1-CE1 3.46Å; L318-F320 HydrophobicContact CD1-CZ 4.07Å; L318-F320 HydrophobicContact CG-CE1 4.14Å; L318-F320 PolarHBondContact O-N 3.12Å; L318-F320 VanDerWaalsContact O-N 3.11Å; F320-G323 PolarHBondContact O-N 2.94Å; F320-N324 VanDerWaalsContact O-CG 3.23Å; F320-N324 PolarHBondContact O-N 3.42Å; F320-N324 PolarHBondContact O-ND2 3.26Å; F320-N324 PolarHBondContact O-OD1 3.49Å
321M84.1Confident85.7Confident92 Ų9258.2 Ų58.245%0.45330%0.304SS..Hα-helixtrans-68.9-40.1174.3-64.4-178.46500110.1T317 L318 M319 G323 N324 L325T317-M321 PolarHBondContact OG1-SD 3.11Å; L318-M321 HydrophobicContact CB-CG 4.2Å; L318-M321 HydrophobicContact CB-SD 4.3Å; L318-M321 HydrophobicContact CD1-SD 4.33Å; L318-M321 HydrophobicContact CG-SD 4.4Å; L318-M321 WeakPolarHBondContact O-CA 3.46Å; L318-M321 WeakPolarHBondContact O-CB 3.34Å; L318-M321 PolarHBondContact O-N 3.35Å; M319-M321 VanDerWaalsContact C-N 3.34Å; M321-G323 VanDerWaalsContact C-N 3.31Å; M321-G323 PolarHBondContact O-N 3.31Å; M321-N324 WeakPolarHBondContact O-CB 3.3Å; M321-N324 PolarHBondContact O-N 3.45Å; M321-L325 PolarHBondContact O-N 3.1Å
322T85.9Confident85.8Confident1 Ų157.1 Ų57.11%0.00629%0.293CS..Hα-helixtrans-60.8-40.1170.6-52.40000111.4L316 L318 M319 L325 I326 I346 N353 I355L316-T322 HydrophobicContact CD1-CG2 3.87Å; L316-T322 HydrophobicContact CD2-CG2 4.15Å; L318-T322 PolarHBondContact O-N 3.37Å; L318-T322 VanDerWaalsContact O-N 3.11Å; L318-T322 PolarHBondContact O-OG1 2.91Å; M319-T322 WeakPolarHBondContact O-CB 3.36Å; M319-T322 PolarHBondContact O-N 3.34Å; T322-L325 WeakPolarHBondContact O-CB 3.48Å; T322-L325 PolarHBondContact O-N 3.42Å; T322-I326 WeakPolarHBondContact O-CG1 3.5Å; T322-I326 PolarHBondContact O-N 3.17Å; T322-I326 VanDerWaalsContact O-N 3.14Å; T322-I346 HydrophobicContact CG2-CD1 3.78Å; T322-I346 HydrophobicContact CG2-CG1 3.94Å; T322-I346 HydrophobicContact CG2-CG2 3.99Å; T322-N353 WeakPolarHBondContact CB-OD1 3.29Å; T322-N353 WeakPolarHBondContact CG2-OD1 3.4Å; T322-N353 PolarHBondContact OG1-OD1 3.45Å; T322-I355 HydrophobicContact CG2-CD1 3.62Å; T322-I355 HydrophobicContact CG2-CG1 3.47Å; T322-I355 VanDerWaalsContact CG2-CG1 3.47Å
323G87.2Confident86Confident1 Ų152 Ų521%0.0127%0.271CS..Hα-helixtrans-60.8-43.6172.400000113.2M319 F320 M321 L325 I326 E327M319-G323 PolarHBondContact O-N 2.93Å; F320-G323 PolarHBondContact O-N 2.94Å; M321-G323 VanDerWaalsContact C-N 3.31Å; M321-G323 PolarHBondContact O-N 3.31Å; G323-L325 VanDerWaalsContact C-N 3.3Å; G323-L325 PolarHBondContact O-N 3.22Å; G323-I326 PolarHBondContact O-N 3.23Å; G323-E327 PolarHBondContact O-N 3.38Å; G323-E327 VanDerWaalsContact O-N 3.08Å
324N88.3Confident86.4Confident91 Ų9157 Ų5749%0.48729%0.291SS..Hα-helixtrans-64.7-34.8175.5-67.3-18.8000112.1F320 M321 E327 G328F320-N324 VanDerWaalsContact O-CG 3.23Å; F320-N324 PolarHBondContact O-N 3.42Å; F320-N324 PolarHBondContact O-ND2 3.26Å; F320-N324 PolarHBondContact O-OD1 3.49Å; M321-N324 WeakPolarHBondContact O-CB 3.3Å; M321-N324 PolarHBondContact O-N 3.45Å; N324-E327 PolarHBondContact O-N 3.5Å; N324-G328 PolarHBondContact O-N 2.99Å
325L88.7Confident86.7Confident56 Ų5653.8 Ų53.829%0.29327%0.268SS..Hα-helixtrans-62.3-45.2175.4-175.8153.5000110.9Y310 L316 M321 T322 G323 G328 F329 I355 Y381Y310-L325 HydrophobicContact CE2-CD2 4.25Å; L316-L325 HydrophobicContact CD2-CD1 4.11Å; M321-L325 PolarHBondContact O-N 3.1Å; T322-L325 WeakPolarHBondContact O-CB 3.48Å; T322-L325 PolarHBondContact O-N 3.42Å; G323-L325 VanDerWaalsContact C-N 3.3Å; G323-L325 PolarHBondContact O-N 3.22Å; L325-G328 PolarHBondContact O-N 3.38Å; L325-F329 PolarHBondContact O-N 3.16Å; L325-I355 HydrophobicContact CD2-CD1 3.85Å; L325-Y381 WeakPolarHBondContact CD2-OH 3.47Å
326I90.4Very high87.1Confident0 Ų050.3 Ų50.30%024%0.244CC..Hα-helixtrans-63.1-43.6176.1-63.6168.2000111.2T322 G323 G328 F329 F330 M344 I346 I355 K414T322-I326 WeakPolarHBondContact O-CG1 3.5Å; T322-I326 PolarHBondContact O-N 3.17Å; T322-I326 VanDerWaalsContact O-N 3.14Å; G323-I326 PolarHBondContact O-N 3.23Å; I326-G328 VanDerWaalsContact C-N 3.32Å; I326-G328 PolarHBondContact O-N 2.95Å; I326-F329 WeakPolarHBondContact O-CB 3.49Å; I326-F329 PolarHBondContact O-N 2.85Å; I326-F330 HydrophobicContact CG2-CD1 4.24Å; I326-F330 HydrophobicContact CG2-CE1 3.79Å; I326-F330 HydrophobicContact CG2-CE2 4.12Å; I326-F330 HydrophobicContact CG2-CZ 3.73Å; I326-F330 PolarHBondContact O-N 3.21Å; I326-M344 HydrophobicContact CD1-CB 4.16Å; I326-M344 HydrophobicContact CG2-CB 3.74Å; I326-M344 HydrophobicContact CG2-CG 3.99Å; I326-I346 HydrophobicContact CD1-CD1 4Å; I326-I346 HydrophobicContact CD1-CG1 3.59Å; I326-I355 HydrophobicContact CD1-CD1 4.3Å; I326-I355 HydrophobicContact CD1-CG1 4.25Å; I326-I355 HydrophobicContact CD1-CG2 3.78Å; I326-I355 HydrophobicContact CG1-CD1 3.99Å; I326-I355 HydrophobicContact CG1-CG1 4.48Å; I326-I355 HydrophobicContact CG1-CG2 4.09Å; I326-K414 HydrophobicContact CB-CG 4.47Å; I326-K414 HydrophobicContact CG2-CB 3.77Å; I326-K414 HydrophobicContact CG2-CG 4.03Å
327E89.5Confident87.4Confident78 Ų7851.1 Ų51.136%0.36425%0.251SS..Hα-helixtrans-62.1-39.9176.7-73.8-179.5-175.400112.3G323 N324 F329 F330 Q331 K414G323-E327 PolarHBondContact O-N 3.38Å; G323-E327 VanDerWaalsContact O-N 3.08Å; N324-E327 PolarHBondContact O-N 3.5Å; E327-F329 VanDerWaalsContact C-N 3.32Å; E327-F329 PolarHBondContact O-N 2.84Å; E327-F330 PolarHBondContact O-N 2.97Å; E327-Q331 WeakPolarHBondContact O-CG 3.44Å; E327-Q331 PolarHBondContact O-N 3.38Å; E327-K414 HydrophobicContact CG-CD 4.45Å; E327-K414 IonicContact OE1-NZ 3.94Å; E327-K414 PolarHBondContact OE1-NZ 3.16Å
328G88Confident87.4Confident13 Ų1355.4 Ų55.413%0.13427%0.265CS..Hα-helixtrans-60.2-42.1173.400000112.3N324 L325 I326 Q331 R332N324-G328 PolarHBondContact O-N 2.99Å; L325-G328 PolarHBondContact O-N 3.38Å; I326-G328 VanDerWaalsContact C-N 3.32Å; I326-G328 PolarHBondContact O-N 2.95Å; G328-Q331 PolarHBondContact O-N 3.22Å; G328-R332 PolarHBondContact O-N 3.43Å; G328-R332 PolarHBondContact O-NH1 3.46Å
329F90.7Very high87.7Confident3 Ų354.8 Ų54.81%0.01326%0.258CS..Hα-helixtrans-62.2-45.6174173.1-123.8000111.8L325 I326 E327 Q331 R332 A333 M344 W359 F368 D377 Y381 W383L325-F329 PolarHBondContact O-N 3.16Å; I326-F329 WeakPolarHBondContact O-CB 3.49Å; I326-F329 PolarHBondContact O-N 2.85Å; E327-F329 VanDerWaalsContact C-N 3.32Å; E327-F329 PolarHBondContact O-N 2.84Å; F329-Q331 VanDerWaalsContact C-N 3.35Å; F329-Q331 PolarHBondContact O-N 3.36Å; F329-R332 PolarHBondContact O-N 3.03Å; F329-R332 VanDerWaalsContact O-N 3.13Å; F329-A333 WeakPolarHBondContact O-CB 3.49Å; F329-A333 PolarHBondContact O-N 3.2Å; F329-M344 HydrophobicContact CD1-CE 4.5Å; F329-W359 HydrophobicContact CD1-CZ2 4.32Å; F329-W359 AromaticContact CE1-CH2 3.92Å; F329-W359 HydrophobicContact CE1-CH2 3.92Å; F329-W359 AromaticContact CE1-CZ2 3.54Å; F329-W359 HydrophobicContact CE1-CZ2 3.54Å; F329-W359 HydrophobicContact CZ-CZ2 4.4Å; F329-F368 HydrophobicContact CE2-CE1 4Å; F329-F368 HydrophobicContact CE2-CZ 4.44Å; F329-F368 AromaticContact CZ-CE1 3.77Å; F329-F368 HydrophobicContact CZ-CE1 3.77Å; F329-F368 AromaticContact CZ-CZ 3.78Å; F329-F368 HydrophobicContact CZ-CZ 3.78Å; F329-D377 HydrophobicContact CD2-CB 3.89Å; F329-D377 WeakPolarHBondContact CD2-OD2 3.3Å; F329-D377 HydrophobicContact CE2-CB 4.46Å; F329-Y381 HydrophobicContact CD1-CE2 4.49Å; F329-Y381 HydrophobicContact CG-CE2 4.48Å; F329-W383 HydrophobicContact CZ-CH2 4.17Å; F329-W383 HydrophobicContact CZ-CZ2 4.12Å
330F92.7Very high88.2Confident27 Ų2753.7 Ų53.712%0.11825%0.253CS..Hα-helixtrans-60.1-41.9178.1-74.12.8000112.9I326 E327 R332 A333 E334 M344 W359 K414 I415 F416I326-F330 HydrophobicContact CG2-CD1 4.24Å; I326-F330 HydrophobicContact CG2-CE1 3.79Å; I326-F330 HydrophobicContact CG2-CE2 4.12Å; I326-F330 HydrophobicContact CG2-CZ 3.73Å; I326-F330 PolarHBondContact O-N 3.21Å; E327-F330 PolarHBondContact O-N 2.97Å; F330-R332 VanDerWaalsContact C-N 3.28Å; F330-R332 PolarHBondContact O-N 3.01Å; F330-A333 CarbonylContact O-C 3.58Å; F330-A333 PolarHBondContact O-N 3.43Å; F330-E334 PolarHBondContact O-N 2.79Å; F330-E334 VanDerWaalsContact O-N 3.13Å; F330-M344 HydrophobicContact CE1-CB 4.41Å; F330-M344 HydrophobicContact CE1-CG 3.54Å; F330-M344 HydrophobicContact CZ-CB 4.09Å; F330-M344 HydrophobicContact CZ-CG 3.64Å; F330-W359 HydrophobicContact CD1-CH2 4.11Å; F330-W359 HydrophobicContact CD1-CZ2 4.37Å; F330-W359 AromaticContact CE1-CH2 3.78Å; F330-W359 HydrophobicContact CE1-CH2 3.78Å; F330-W359 AromaticContact CE1-CZ2 3.7Å; F330-W359 HydrophobicContact CE1-CZ2 3.7Å; F330-K414 HydrophobicContact CE2-CB 3.72Å; F330-K414 HydrophobicContact CZ-CB 4.04Å; F330-I415 WeakPolarHBondContact CE2-O 3.35Å; F330-F416 HydrophobicContact CB-CD2 3.84Å; F330-F416 HydrophobicContact CB-CE2 4.38Å; F330-F416 HydrophobicContact CD1-CB 4.02Å; F330-F416 AromaticContact CD1-CD2 3.8Å; F330-F416 HydrophobicContact CD1-CD2 3.8Å; F330-F416 HydrophobicContact CD1-CG 4.3Å; F330-F416 HydrophobicContact CD2-CB 4.14Å; F330-F416 HydrophobicContact CD2-CD2 4.22Å; F330-F416 HydrophobicContact CE1-CB 3.76Å; F330-F416 HydrophobicContact CE1-CD2 4.4Å; F330-F416 HydrophobicContact CE1-CG 4.46Å; F330-F416 HydrophobicContact CE2-CB 3.89Å; F330-F416 HydrophobicContact CG-CB 4.21Å; F330-F416 AromaticContact CG-CD2 3.7Å; F330-F416 HydrophobicContact CG-CD2 3.7Å; F330-F416 HydrophobicContact CG-CG 4.44Å; F330-F416 HydrophobicContact CZ-CB 3.69Å; F330-F416 WeakPolarHBondContact O-CE2 3.45Å
331Q88.5Confident88.8Confident109 Ų10948.5 Ų48.551%0.50923%0.23SC..Hα-helixtrans-60.7-38.9176.3-72.5175.11.500112E327 G328 F329 A333 E334E327-Q331 WeakPolarHBondContact O-CG 3.44Å; E327-Q331 PolarHBondContact O-N 3.38Å; G328-Q331 PolarHBondContact O-N 3.22Å; F329-Q331 VanDerWaalsContact C-N 3.35Å; F329-Q331 PolarHBondContact O-N 3.36Å; Q331-A333 VanDerWaalsContact C-N 3.35Å; Q331-E334 WeakPolarHBondContact O-CB 3.17Å; Q331-E334 PolarHBondContact O-N 3.42Å
332R86.4Confident89.3Confident76 Ų7644.1 Ų44.129%0.28721%0.209SC..Hα-helixtrans-74.4-28.2177.4-68.4-174.2-71.1-83.98.7112.6G328 F329 F330 E334 D377G328-R332 PolarHBondContact O-N 3.43Å; G328-R332 PolarHBondContact O-NH1 3.46Å; F329-R332 PolarHBondContact O-N 3.03Å; F329-R332 VanDerWaalsContact O-N 3.13Å; F330-R332 VanDerWaalsContact C-N 3.28Å; F330-R332 PolarHBondContact O-N 3.01Å; R332-E334 VanDerWaalsContact C-N 3.3Å; R332-E334 PolarHBondContact O-N 2.77Å; R332-D377 IonicContact CZ-OD1 3.18Å; R332-D377 VanDerWaalsContact CZ-OD1 3.28Å; R332-D377 IonicContact CZ-OD2 3.14Å; R332-D377 IonicContact NE-OD1 2.76Å; R332-D377 PolarHBondContact NE-OD1 3.3Å; R332-D377 VanDerWaalsContact NE-OD1 3.14Å; R332-D377 IonicContact NE-OD2 2.94Å; R332-D377 PolarHBondContact NE-OD2 2.97Å; R332-D377 IonicContact NH2-OD1 2.7Å; R332-D377 PolarHBondContact NH2-OD1 3.27Å; R332-D377 IonicContact NH2-OD2 2.65Å; R332-D377 PolarHBondContact NH2-OD2 3.49Å
333A88.9Confident89.7Confident2 Ų244.1 Ų44.12%0.01721%0.209CC..THydrogen-bonded Turntrans-810.2173.600000114F329 F330 Q331 K335 M336 F416F329-A333 WeakPolarHBondContact O-CB 3.49Å; F329-A333 PolarHBondContact O-N 3.2Å; F330-A333 CarbonylContact O-C 3.58Å; F330-A333 PolarHBondContact O-N 3.43Å; Q331-A333 VanDerWaalsContact C-N 3.35Å; A333-K335 PolarHBondContact O-N 3.36Å; A333-M336 HydrophobicContact CB-CG 4.02Å; A333-M336 HydrophobicContact CB-SD 4.07Å; A333-M336 WeakPolarHBondContact O-CG 3.49Å; A333-M336 PolarHBondContact O-N 2.92Å; A333-F416 HydrophobicContact CB-CE2 3.78Å; A333-F416 HydrophobicContact CB-CZ 3.98Å; A333-F416 VanDerWaalsContact O-CZ 3.24Å; A333-F416 WeakPolarHBondContact O-CZ 3.12Å
334E88.7Confident89.9Confident138 Ų13844.1 Ų44.165%0.64521%0.208SC*.G310 helixtrans-52-32.6-173-174.8178.3-165.500113.7F330 Q331 R332 M336 S337F330-E334 PolarHBondContact O-N 2.79Å; F330-E334 VanDerWaalsContact O-N 3.13Å; Q331-E334 WeakPolarHBondContact O-CB 3.17Å; Q331-E334 PolarHBondContact O-N 3.42Å; R332-E334 VanDerWaalsContact C-N 3.3Å; R332-E334 PolarHBondContact O-N 2.77Å; E334-M336 VanDerWaalsContact C-N 3.29Å; E334-M336 PolarHBondContact O-N 2.64Å; E334-S337 WeakPolarHBondContact O-CB 3.41Å; E334-S337 PolarHBondContact O-N 3.23Å; E334-S337 PolarHBondContact O-OG 3.39Å
335K86.4Confident90Very high105 Ų10540.5 Ų40.546%0.45719%0.188SC..G310 helixtrans-61-31.6177.1-71.5-173.1173.6-166.20114.4L265 A333 S337 D373 L374L265-K335 HydrophobicContact CD1-CB 4.37Å; A333-K335 PolarHBondContact O-N 3.36Å; K335-S337 VanDerWaalsContact C-N 3.34Å; K335-D373 HydrophobicContact CD-CB 4.18Å; K335-D373 IonicContact NZ-OD2 3.28Å; K335-D373 PolarHBondContact NZ-OD2 3.1Å; K335-L374 HydrophobicContact CB-CD2 4.14Å
336M89.6Confident90Very high0 Ų037.8 Ų37.80%017%0.174CC..G310 helixtrans-87.3-1.4176.956.8179.1-76.200113.1A333 E334 K338 Y339 A340 W359 W361 I367 F368 L374 F416A333-M336 HydrophobicContact CB-CG 4.02Å; A333-M336 HydrophobicContact CB-SD 4.07Å; A333-M336 WeakPolarHBondContact O-CG 3.49Å; A333-M336 PolarHBondContact O-N 2.92Å; E334-M336 VanDerWaalsContact C-N 3.29Å; E334-M336 PolarHBondContact O-N 2.64Å; M336-K338 VanDerWaalsContact C-N 3.27Å; M336-K338 PolarHBondContact O-N 3.29Å; M336-Y339 CarbonylContact O-C 3.16Å; M336-Y339 PolarHBondContact O-N 3.36Å; M336-A340 HydrophobicContact CB-CB 4.37Å; M336-A340 HydrophobicContact CE-CB 3.25Å; M336-A340 HydrophobicContact CG-CB 4.46Å; M336-A340 WeakPolarHBondContact O-CB 3.33Å; M336-A340 PolarHBondContact O-N 3.01Å; M336-W359 HydrophobicContact CE-CE3 4.04Å; M336-W359 HydrophobicContact CE-CZ3 3.93Å; M336-W361 HydrophobicContact CE-CE3 3.94Å; M336-W361 HydrophobicContact CE-CZ3 4.48Å; M336-I367 HydrophobicContact CB-CD1 3.92Å; M336-I367 HydrophobicContact CB-CG1 4.45Å; M336-I367 HydrophobicContact CE-CD1 4.27Å; M336-I367 HydrophobicContact CE-CG2 3.42Å; M336-I367 VanDerWaalsContact CE-CG2 3.42Å; M336-I367 HydrophobicContact SD-CG2 3.82Å; M336-F368 HydrophobicContact CE-CE1 4.29Å; M336-F368 HydrophobicContact CE-CZ 4.11Å; M336-F368 HydrophobicContact SD-CD1 4.1Å; M336-F368 HydrophobicContact SD-CE1 3.46Å; M336-F368 WeakPolarHBondContact SD-CE1 3.39Å; M336-F368 HydrophobicContact SD-CZ 3.9Å; M336-L374 HydrophobicContact CB-CD1 3.97Å; M336-L374 HydrophobicContact CB-CD2 4.27Å; M336-L374 HydrophobicContact CG-CD1 4.22Å; M336-L374 HydrophobicContact CG-CD2 3.88Å; M336-L374 HydrophobicContact SD-CD1 4.18Å; M336-L374 HydrophobicContact SD-CD2 4.2Å; M336-F416 HydrophobicContact CG-CE1 4.25Å; M336-F416 HydrophobicContact CG-CZ 4.09Å
337S88.1Confident89.8Confident30 Ų3040.1 Ų40.121%0.2118%0.184CC..G310 helixtrans-49.7-46.8178.9580000111.7K279 E334 K335 Y339 A340K279-S337 PolarHBondContact NZ-O 3.28Å; E334-S337 WeakPolarHBondContact O-CB 3.41Å; E334-S337 PolarHBondContact O-N 3.23Å; E334-S337 PolarHBondContact O-OG 3.39Å; K335-S337 VanDerWaalsContact C-N 3.34Å; S337-Y339 PolarHBondContact O-N 2.96Å; S337-A340 PolarHBondContact O-N 2.89Å; S337-A340 VanDerWaalsContact O-O 3.08Å
338K86.7Confident89.6Confident148 Ų14838.2 Ų38.264%0.64319%0.185SC*.G310 helixtrans-58.6-23.8178.6-67-172177.8-176.30115.1M336M336-K338 VanDerWaalsContact C-N 3.27Å; M336-K338 PolarHBondContact O-N 3.29Å
339Y90Very high89.4Confident47 Ų4743.1 Ų43.118%0.18421%0.205CC..G310 helixtrans-114.4-5.9-171-53.8-72.6000113.2L265 L268 M336 S337 W361 A362L265-Y339 HydrophobicContact CB-CD2 4.07Å; L265-Y339 HydrophobicContact CB-CE2 3.81Å; L268-Y339 HydrophobicContact CD1-CD1 4.46Å; L268-Y339 HydrophobicContact CD1-CG 4.27Å; M336-Y339 CarbonylContact O-C 3.16Å; M336-Y339 PolarHBondContact O-N 3.36Å; S337-Y339 PolarHBondContact O-N 2.96Å; Y339-W361 CarbonylContact O-C 3.58Å; Y339-W361 WeakPolarHBondContact O-CA 3.45Å; Y339-W361 WeakPolarHBondContact O-CB 3.45Å; Y339-A362 PolarHBondContact O-N 3.22Å
340A92.6Very high89Confident0 Ų046.4 Ų46.40%022%0.222CC..EExtended strand (participates in β ladder)trans-141.1151.6-169.500000113K279 M336 S337 V360 W361 F416K279-A340 WeakPolarHBondContact CE-O 3.37Å; K279-A340 PolarHBondContact NZ-O 3.06Å; M336-A340 HydrophobicContact CB-CB 4.37Å; M336-A340 HydrophobicContact CE-CB 3.25Å; M336-A340 HydrophobicContact CG-CB 4.46Å; M336-A340 WeakPolarHBondContact O-CB 3.33Å; M336-A340 PolarHBondContact O-N 3.01Å; S337-A340 PolarHBondContact O-N 2.89Å; S337-A340 VanDerWaalsContact O-O 3.08Å; A340-V360 CarbonylContact C-O 3.53Å; A340-V360 VanDerWaalsContact CA-O 3.27Å; A340-V360 WeakPolarHBondContact CA-O 3.48Å; A340-W361 HydrophobicContact CB-CB 3.63Å; A340-F416 HydrophobicContact CB-CE1 4.2Å
341F94.1Very high88.5Confident2 Ų250.4 Ų50.41%0.00925%0.245CC..EExtended strand (participates in β ladder)trans-133.7138170.6175.9-95.8000108.2M275 F278 K279 F282 I343 W359 V360 F401 I415 F416 K417M275-F341 HydrophobicContact CE-CB 4.33Å; M275-F341 HydrophobicContact SD-CB 3.66Å; F278-F341 HydrophobicContact CD1-CG 4.43Å; F278-F341 HydrophobicContact CE1-CB 4.34Å; F278-F341 AromaticContact CE1-CD1 3.65Å; F278-F341 HydrophobicContact CE1-CD1 3.65Å; F278-F341 HydrophobicContact CE1-CD2 4.17Å; F278-F341 AromaticContact CE1-CE1 3.87Å; F278-F341 HydrophobicContact CE1-CE1 3.87Å; F278-F341 HydrophobicContact CE1-CE2 4.38Å; F278-F341 AromaticContact CE1-CG 3.79Å; F278-F341 HydrophobicContact CE1-CG 3.79Å; F278-F341 HydrophobicContact CE1-CZ 4.23Å; F278-F341 HydrophobicContact CZ-CD1 4.36Å; F278-F341 HydrophobicContact CZ-CE1 4.19Å; K279-F341 HydrophobicContact CG-CD2 3.99Å; F282-F341 AromaticContact CD1-CE2 3.91Å; F282-F341 HydrophobicContact CD1-CE2 3.91Å; F282-F341 AromaticContact CD1-CZ 3.67Å; F282-F341 HydrophobicContact CD1-CZ 3.67Å; F282-F341 HydrophobicContact CD2-CZ 4.12Å; F282-F341 HydrophobicContact CE1-CE2 4.23Å; F282-F341 AromaticContact CE1-CZ 3.68Å; F282-F341 HydrophobicContact CE1-CZ 3.68Å; F282-F341 HydrophobicContact CE2-CZ 4.13Å; F282-F341 HydrophobicContact CG-CE2 4.28Å; F282-F341 AromaticContact CG-CZ 3.9Å; F282-F341 HydrophobicContact CG-CZ 3.9Å; F282-F341 AromaticContact CZ-CZ 3.92Å; F282-F341 HydrophobicContact CZ-CZ 3.92Å; F341-I343 HydrophobicContact CE1-CD1 3.81Å; F341-I343 HydrophobicContact CE1-CG1 3.69Å; F341-I343 HydrophobicContact CZ-CD1 3.97Å; F341-I343 HydrophobicContact CZ-CG1 3.89Å; F341-W359 CarbonylContact O-C 3.51Å; F341-W359 WeakPolarHBondContact O-CA 3.31Å; F341-V360 PolarHBondContact N-O 3.3Å; F341-V360 PolarHBondContact O-N 3.04Å; F341-F401 HydrophobicContact CD1-CE1 4.34Å; F341-F401 HydrophobicContact CD1-CZ 4.28Å; F341-F401 HydrophobicContact CE1-CD1 4.46Å; F341-F401 AromaticContact CE1-CE1 3.78Å; F341-F401 HydrophobicContact CE1-CE1 3.78Å; F341-F401 AromaticContact CE1-CZ 3.97Å; F341-F401 HydrophobicContact CE1-CZ 3.97Å; F341-I415 HydrophobicContact CE2-CG2 3.68Å; F341-I415 HydrophobicContact CZ-CG2 4Å; F341-F416 WeakPolarHBondContact CA-O 3.31Å; F341-F416 WeakPolarHBondContact CD2-O 3.33Å; F341-K417 HydrophobicContact CD2-CB 4.23Å; F341-K417 HydrophobicContact CE2-CB 4.44Å
342G94.5Very high88.2Confident0 Ų050.9 Ų50.90%025%0.251CS..EExtended strand (participates in β ladder)trans-144.5148.6-177.200000112.2I358 I415 F416G342-I358 CarbonylContact C-O 3.49Å; G342-I358 WeakPolarHBondContact CA-O 3.4Å; G342-I415 CarbonylContact O-C 3.48Å; G342-I415 WeakPolarHBondContact O-CA 3.17Å; G342-F416 PolarHBondContact N-O 3.35Å; G342-F416 PolarHBondContact O-N 3.41Å
343I93.6Very high88.1Confident1 Ų147.4 Ų47.41%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-129119.1172.2-56.1-176.3000107.6F282 F341 R345 G357 I358 Y400 F401 C413 I415F282-I343 HydrophobicContact CE2-CD1 4.28Å; F282-I343 HydrophobicContact CZ-CD1 3.79Å; F341-I343 HydrophobicContact CE1-CD1 3.81Å; F341-I343 HydrophobicContact CE1-CG1 3.69Å; F341-I343 HydrophobicContact CZ-CD1 3.97Å; F341-I343 HydrophobicContact CZ-CG1 3.89Å; I343-R345 HydrophobicContact CG2-CG 4.5Å; I343-G357 CarbonylContact O-C 3.16Å; I343-G357 WeakPolarHBondContact O-CA 3.21Å; I343-I358 HydrophobicContact CB-CG2 4.18Å; I343-I358 PolarHBondContact N-O 3.13Å; I343-I358 PolarHBondContact O-N 2.68Å; I343-Y400 HydrophobicContact CB-CD1 4.09Å; I343-Y400 WeakPolarHBondContact CD1-O 3.27Å; I343-Y400 HydrophobicContact CG2-CD1 3.9Å; I343-F401 HydrophobicContact CD1-CD1 3.64Å; I343-F401 HydrophobicContact CD1-CE1 4.04Å; I343-C413 WeakPolarHBondContact CG2-SG 3.47Å; I343-I415 HydrophobicContact CG1-CG1 4.38Å
344M92.3Very high88Confident0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-109.3132.1178.1-63-71.3-81.100109.2I326 F329 F330 I355 W359 Y381 C413 K414I326-M344 HydrophobicContact CD1-CB 4.16Å; I326-M344 HydrophobicContact CG2-CB 3.74Å; I326-M344 HydrophobicContact CG2-CG 3.99Å; F329-M344 HydrophobicContact CD1-CE 4.5Å; F330-M344 HydrophobicContact CE1-CB 4.41Å; F330-M344 HydrophobicContact CE1-CG 3.54Å; F330-M344 HydrophobicContact CZ-CB 4.09Å; F330-M344 HydrophobicContact CZ-CG 3.64Å; M344-I355 HydrophobicContact CE-CG2 3.49Å; M344-I355 VanDerWaalsContact CE-CG2 3.49Å; M344-W359 HydrophobicContact CG-CZ2 3.99Å; M344-W359 HydrophobicContact SD-CZ2 4Å; M344-W359 PolarHBondContact SD-NE1 3.4Å; M344-Y381 HydrophobicContact CE-CD1 4.14Å; M344-Y381 HydrophobicContact CE-CE1 3.39Å; M344-C413 WeakPolarHBondContact O-CA 3.37Å; M344-K414 PolarHBondContact N-O 2.94Å; M344-K414 PolarHBondContact O-N 2.89Å
345R89.9Confident88.1Confident15 Ų1542.5 Ų42.56%0.05722%0.217CC..EExtended strand (participates in β ladder)trans-123.1138.1178.6-70.4176.472.9-160.10.7110.3I343 F347 I355 K356 E399 Y400 Y403 Q412 C413I343-R345 HydrophobicContact CG2-CG 4.5Å; R345-F347 HydrophobicContact CB-CD2 4.3Å; R345-F347 HydrophobicContact CB-CE2 3.53Å; R345-F347 HydrophobicContact CB-CZ 3.8Å; R345-I355 WeakPolarHBondContact O-CA 3.41Å; R345-K356 PolarHBondContact N-O 3.46Å; R345-K356 PolarHBondContact O-N 3.19Å; R345-E399 IonicContact CZ-OE1 2.64Å; R345-E399 IonicContact NH1-OE1 2.63Å; R345-E399 PolarHBondContact NH1-OE1 2.88Å; R345-Y400 HydrophobicContact CB-CE1 4.22Å; R345-Y400 HydrophobicContact CG-CD1 4.26Å; R345-Y400 HydrophobicContact CG-CE1 3.92Å; R345-Y403 VanDerWaalsContact CZ-CD2 3.44Å; R345-Q412 WeakPolarHBondContact CA-O 3.34Å; R345-C413 HydrophobicContact CG-CB 4.16Å
346I88.9Confident88.4Confident0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-93.3126.1170.7-53.4176000107.1T322 I326 N353 T354 N411 Q412T322-I346 HydrophobicContact CG2-CD1 3.78Å; T322-I346 HydrophobicContact CG2-CG1 3.94Å; T322-I346 HydrophobicContact CG2-CG2 3.99Å; I326-I346 HydrophobicContact CD1-CD1 4Å; I326-I346 HydrophobicContact CD1-CG1 3.59Å; I346-N353 HydrophobicContact CG2-CB 3.94Å; I346-T354 WeakPolarHBondContact CA-O 3.35Å; I346-N411 VanDerWaalsContact O-CA 3.3Å; I346-N411 WeakPolarHBondContact O-CA 3.16Å; I346-N411 WeakPolarHBondContact O-CB 3.46Å; I346-N411 PolarHBondContact O-OD1 2.99Å; I346-Q412 HydrophobicContact CD1-CB 4.1Å; I346-Q412 PolarHBondContact N-O 2.64Å
347F85.9Confident88.6Confident49 Ų4942.2 Ų42.222%0.21522%0.217CC..EExtended strand (participates in β ladder)trans-111.8134.5176.6-62.9-94.1000109.1R345 N353 T354 K356R345-F347 HydrophobicContact CB-CD2 4.3Å; R345-F347 HydrophobicContact CB-CE2 3.53Å; R345-F347 HydrophobicContact CB-CZ 3.8Å; F347-N353 CarbonylContact O-C 3.57Å; F347-N353 WeakPolarHBondContact O-CA 3.34Å; F347-N353 VanDerWaalsContact O-CB 3.3Å; F347-N353 WeakPolarHBondContact O-CB 3.41Å; F347-T354 HydrophobicContact CB-CG2 3.92Å; F347-T354 PolarHBondContact N-O 2.91Å; F347-T354 PolarHBondContact O-N 3.38Å; F347-K356 HydrophobicContact CD2-CB 4.22Å; F347-K356 HydrophobicContact CD2-CD 4.49Å; F347-K356 HydrophobicContact CD2-CG 4.2Å; F347-K356 HydrophobicContact CE2-CB 3.72Å; F347-K356 HydrophobicContact CE2-CD 4.31Å; F347-K356 HydrophobicContact CE2-CG 4.13Å
348G84.8Confident88.9Confident38 Ų3840.9 Ų40.939%0.39221%0.207SC..EExtended strand (participates in β ladder)trans113.5-149.4172.500000112.6N352 N411G348-N352 WeakPolarHBondContact CA-O 3.44Å; G348-N411 PolarHBondContact N-OD1 3.12Å
349E83.6Confident89.3Confident116 Ų11633.8 Ų33.854%0.54218%0.177SC..EExtended strand (participates in β ladder)trans-136.7177.6-176.560.2-173.8163.400111.5N351 N352 N353E349-N351 PolarHBondContact O-N 3.19Å; E349-N352 HydrophobicContact CG-CB 4.43Å; E349-N352 PolarHBondContact N-O 3.03Å; E349-N352 CarbonylContact O-C 3.56Å; E349-N352 PolarHBondContact O-N 3.09Å; E349-N353 WeakPolarHBondContact O-CB 3.38Å; E349-N353 PolarHBondContact O-N 3.27Å; E349-N353 PolarHBondContact O-ND2 3.44Å
350D83.8Confident89.4Confident71 Ų7131.6 Ų31.638%0.3817%0.168SC..THydrogen-bonded Turntrans-56.9129.4177.8-68.5-28.4000110.4L318 M319 N352L318-D350 HydrophobicContact CD2-CB 3.97Å; M319-D350 WeakPolarHBondContact CG-OD1 3.03Å; M319-D350 PolarHBondContact N-OD1 3.16Å; D350-N352 PolarHBondContact O-N 3.26Å
351N80.5Confident89.4Confident112 Ų11231.6 Ų31.660%0.59917%0.168SC*.THydrogen-bonded Turntrans68.65-176.1-43.3-74.7000115.7T317 E349T317-N351 WeakPolarHBondContact O-CA 3.23Å; T317-N351 PolarHBondContact O-N 3.1Å; E349-N351 PolarHBondContact O-N 3.19Å
352N83.5Confident89.3Confident118 Ų11831.6 Ų31.663%0.63117%0.168SC*.EExtended strand (participates in β ladder)trans-14969.9171.1-174.115.4000109.2G348 E349 D350G348-N352 WeakPolarHBondContact CA-O 3.44Å; E349-N352 HydrophobicContact CG-CB 4.43Å; E349-N352 PolarHBondContact N-O 3.03Å; E349-N352 CarbonylContact O-C 3.56Å; E349-N352 PolarHBondContact O-N 3.09Å; D350-N352 PolarHBondContact O-N 3.26Å
353N83.1Confident89Confident4 Ų432 Ų322%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-130.4155.8177.757.590.9000112.1L316 T317 T322 I346 F347 E349L316-N353 WeakPolarHBondContact CB-OD1 3.41Å; L316-N353 WeakPolarHBondContact CD1-O 3.42Å; T317-N353 PolarHBondContact O-ND2 3.47Å; T322-N353 WeakPolarHBondContact CB-OD1 3.29Å; T322-N353 WeakPolarHBondContact CG2-OD1 3.4Å; T322-N353 PolarHBondContact OG1-OD1 3.45Å; I346-N353 HydrophobicContact CG2-CB 3.94Å; F347-N353 CarbonylContact O-C 3.57Å; F347-N353 WeakPolarHBondContact O-CA 3.34Å; F347-N353 VanDerWaalsContact O-CB 3.3Å; F347-N353 WeakPolarHBondContact O-CB 3.41Å; E349-N353 WeakPolarHBondContact O-CB 3.38Å; E349-N353 PolarHBondContact O-N 3.27Å; E349-N353 PolarHBondContact O-ND2 3.44Å
354T87.7Confident88.5Confident36 Ų3635.5 Ų35.522%0.22119%0.194CC..EExtended strand (participates in β ladder)trans-135.1160.6176-170.80000109.8S313 I346 F347S313-T354 WeakPolarHBondContact OG-CB 3.28Å; S313-T354 PolarHBondContact OG-OG1 3.23Å; I346-T354 WeakPolarHBondContact CA-O 3.35Å; F347-T354 HydrophobicContact CB-CG2 3.92Å; F347-T354 PolarHBondContact N-O 2.91Å; F347-T354 PolarHBondContact O-N 3.38Å
355I90.6Very high88.2Confident0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-114.7129.6178-50.9163.4000108.2S309 Y310 L316 T322 L325 I326 M344 R345 Y381S309-I355 WeakPolarHBondContact CA-O 3.45Å; Y310-I355 HydrophobicContact CD1-CD1 4.36Å; Y310-I355 HydrophobicContact CD2-CD1 4.29Å; Y310-I355 HydrophobicContact CG-CD1 4.08Å; Y310-I355 PolarHBondContact N-O 3.39Å; L316-I355 HydrophobicContact CD1-CD1 4.18Å; L316-I355 HydrophobicContact CD1-CG1 4.03Å; T322-I355 HydrophobicContact CG2-CD1 3.62Å; T322-I355 HydrophobicContact CG2-CG1 3.47Å; T322-I355 VanDerWaalsContact CG2-CG1 3.47Å; L325-I355 HydrophobicContact CD2-CD1 3.85Å; I326-I355 HydrophobicContact CD1-CD1 4.3Å; I326-I355 HydrophobicContact CD1-CG1 4.25Å; I326-I355 HydrophobicContact CD1-CG2 3.78Å; I326-I355 HydrophobicContact CG1-CD1 3.99Å; I326-I355 HydrophobicContact CG1-CG1 4.48Å; I326-I355 HydrophobicContact CG1-CG2 4.09Å; M344-I355 HydrophobicContact CE-CG2 3.49Å; M344-I355 VanDerWaalsContact CE-CG2 3.49Å; R345-I355 WeakPolarHBondContact O-CA 3.41Å; I355-Y381 HydrophobicContact CB-CE1 4.37Å; I355-Y381 HydrophobicContact CD1-CE1 4.48Å; I355-Y381 HydrophobicContact CG2-CE1 4.11Å
356K92.1Very high88Confident97 Ų9737.6 Ų37.642%0.42222%0.216SC..EExtended strand (participates in β ladder)trans-131.9147.3167.1-53.7-177.9173.1-1750110.5C308 R345 F347 Y400C308-K356 CarbonylContact O-C 3.55Å; C308-K356 VanDerWaalsContact O-CA 3.26Å; C308-K356 WeakPolarHBondContact O-CA 3.3Å; R345-K356 PolarHBondContact N-O 3.46Å; R345-K356 PolarHBondContact O-N 3.19Å; F347-K356 HydrophobicContact CD2-CB 4.22Å; F347-K356 HydrophobicContact CD2-CD 4.49Å; F347-K356 HydrophobicContact CD2-CG 4.2Å; F347-K356 HydrophobicContact CE2-CB 3.72Å; F347-K356 HydrophobicContact CE2-CD 4.31Å; F347-K356 HydrophobicContact CE2-CG 4.13Å; K356-Y400 WeakPolarHBondContact CB-OH 3.49Å; K356-Y400 PolarHBondContact O-OH 2.9Å
357G93.4Very high87.9Confident2 Ų237.7 Ų37.72%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-142.2161.3179.900000113.8S307 C308 I343S307-G357 CarbonylContact C-O 3.53Å; S307-G357 WeakPolarHBondContact CA-O 3.46Å; C308-G357 PolarHBondContact N-O 3.25Å; C308-G357 PolarHBondContact O-N 3.43Å; I343-G357 CarbonylContact O-C 3.16Å; I343-G357 WeakPolarHBondContact O-CA 3.21Å
358I94.5Very high88Confident2 Ų235.3 Ų35.31%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-117.7139.7166.8-160.8170.2000109.2I305 W306 G342 I343 L396 V397 Y400 F401I305-I358 HydrophobicContact CG2-CD1 4.04Å; I305-I358 HydrophobicContact CG2-CG1 4.07Å; W306-I358 CarbonylContact O-C 3.6Å; W306-I358 WeakPolarHBondContact O-CA 3.43Å; G342-I358 CarbonylContact C-O 3.49Å; G342-I358 WeakPolarHBondContact CA-O 3.4Å; I343-I358 HydrophobicContact CB-CG2 4.18Å; I343-I358 PolarHBondContact N-O 3.13Å; I343-I358 PolarHBondContact O-N 2.68Å; I358-L396 HydrophobicContact CD1-CD2 4.29Å; I358-L396 HydrophobicContact CD1-CG 4.24Å; I358-V397 HydrophobicContact CD1-CB 4.14Å; I358-V397 HydrophobicContact CD1-CG2 3.4Å; I358-V397 VanDerWaalsContact CD1-CG2 3.4Å; I358-Y400 HydrophobicContact CB-CD1 4.17Å; I358-Y400 HydrophobicContact CB-CG 4.14Å; I358-Y400 HydrophobicContact CG2-CD1 3.67Å; I358-Y400 HydrophobicContact CG2-CD2 4.47Å; I358-Y400 HydrophobicContact CG2-CE1 4.5Å; I358-Y400 HydrophobicContact CG2-CG 3.63Å; I358-F401 HydrophobicContact CG2-CE1 4.29Å
359W95.2Very high87.9Confident0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-134.4144-176.7-69.878.8000110.4I305 W306 F329 F330 M336 F341 M344 W361 W383 F416I305-W359 CarbonylContact C-O 3.55Å; I305-W359 WeakPolarHBondContact CA-O 3.49Å; W306-W359 HydrophobicContact CB-CB 4.38Å; W306-W359 PolarHBondContact N-O 2.89Å; W306-W359 PolarHBondContact O-N 3.4Å; F329-W359 HydrophobicContact CD1-CZ2 4.32Å; F329-W359 AromaticContact CE1-CH2 3.92Å; F329-W359 HydrophobicContact CE1-CH2 3.92Å; F329-W359 AromaticContact CE1-CZ2 3.54Å; F329-W359 HydrophobicContact CE1-CZ2 3.54Å; F329-W359 HydrophobicContact CZ-CZ2 4.4Å; F330-W359 HydrophobicContact CD1-CH2 4.11Å; F330-W359 HydrophobicContact CD1-CZ2 4.37Å; F330-W359 AromaticContact CE1-CH2 3.78Å; F330-W359 HydrophobicContact CE1-CH2 3.78Å; F330-W359 AromaticContact CE1-CZ2 3.7Å; F330-W359 HydrophobicContact CE1-CZ2 3.7Å; M336-W359 HydrophobicContact CE-CE3 4.04Å; M336-W359 HydrophobicContact CE-CZ3 3.93Å; F341-W359 CarbonylContact O-C 3.51Å; F341-W359 WeakPolarHBondContact O-CA 3.31Å; M344-W359 HydrophobicContact CG-CZ2 3.99Å; M344-W359 HydrophobicContact SD-CZ2 4Å; M344-W359 PolarHBondContact SD-NE1 3.4Å; W359-W361 HydrophobicContact CB-CE3 3.66Å; W359-W361 HydrophobicContact CB-CH2 4.3Å; W359-W361 HydrophobicContact CB-CZ3 3.36Å; W359-W361 HydrophobicContact CD2-CZ3 4.19Å; W359-W361 HydrophobicContact CE3-CE3 4.26Å; W359-W361 HydrophobicContact CE3-CZ3 4.26Å; W359-W361 HydrophobicContact CG-CE3 4.37Å; W359-W361 AromaticContact CG-CZ3 3.84Å; W359-W361 HydrophobicContact CG-CZ3 3.84Å; W359-W383 HydrophobicContact CB-CZ3 4.49Å; W359-W383 AromaticContact CD1-CZ3 3.65Å; W359-W383 HydrophobicContact CD2-CZ3 4.44Å; W359-W383 HydrophobicContact CG-CH2 4.48Å; W359-W383 AromaticContact CG-CZ3 3.96Å; W359-W383 HydrophobicContact CG-CZ3 3.96Å; W359-W383 AromaticContact NE1-CH2 3.98Å; W359-W383 AromaticContact NE1-CZ3 3.99Å; W359-F416 HydrophobicContact CE3-CD1 4.39Å; W359-F416 HydrophobicContact CH2-CB 3.65Å; W359-F416 AromaticContact CH2-CD1 3.91Å; W359-F416 HydrophobicContact CH2-CD1 3.91Å; W359-F416 HydrophobicContact CH2-CD2 4.16Å; W359-F416 AromaticContact CH2-CG 3.63Å; W359-F416 HydrophobicContact CH2-CG 3.63Å; W359-F416 HydrophobicContact CZ2-CB 4.47Å; W359-F416 HydrophobicContact CZ3-CB 3.9Å; W359-F416 AromaticContact CZ3-CD1 3.39Å; W359-F416 HydrophobicContact CZ3-CD1 3.39Å; W359-F416 HydrophobicContact CZ3-CD2 4.42Å; W359-F416 AromaticContact CZ3-CE1 3.98Å; W359-F416 HydrophobicContact CZ3-CE1 3.98Å; W359-F416 AromaticContact CZ3-CG 3.64Å; W359-F416 HydrophobicContact CZ3-CG 3.64Å
360V93.5Very high87.9Confident1 Ų136.1 Ų36.11%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-128.5128.5170.1-175.80000107.8M275 F294 F298 Y303 S304 I305 A340 F341M275-V360 HydrophobicContact CE-CG1 4.4Å; F294-V360 HydrophobicContact CE2-CB 4.41Å; F294-V360 HydrophobicContact CE2-CG1 3.98Å; F294-V360 HydrophobicContact CE2-CG2 3.88Å; F294-V360 HydrophobicContact CZ-CG1 4.29Å; F294-V360 HydrophobicContact CZ-CG2 3.81Å; F298-V360 HydrophobicContact CE2-CG1 4.04Å; Y303-V360 HydrophobicContact CD1-CG1 4.34Å; S304-V360 WeakPolarHBondContact O-CA 3.22Å; I305-V360 HydrophobicContact CG1-CG2 4.31Å; I305-V360 HydrophobicContact CG2-CG2 4.44Å; A340-V360 CarbonylContact C-O 3.53Å; A340-V360 VanDerWaalsContact CA-O 3.27Å; A340-V360 WeakPolarHBondContact CA-O 3.48Å; F341-V360 PolarHBondContact N-O 3.3Å; F341-V360 PolarHBondContact O-N 3.04Å
361W92.8Very high87.7Confident0 Ų033.7 Ų33.70%019%0.188CC..EExtended strand (participates in β ladder)trans-146.5161.817656.364.1000113.2Y303 S304 W306 M336 Y339 A340 W359 G365 L366 I367 F368 W383Y303-W361 VanDerWaalsContact CA-O 3.31Å; Y303-W361 WeakPolarHBondContact CA-O 3.34Å; Y303-W361 WeakPolarHBondContact CD1-O 3.34Å; S304-W361 PolarHBondContact N-O 2.93Å; S304-W361 PolarHBondContact O-N 3.15Å; W306-W361 HydrophobicContact CB-CH2 3.67Å; W306-W361 HydrophobicContact CB-CZ2 3.93Å; W306-W361 HydrophobicContact CB-CZ3 4.26Å; W306-W361 AromaticContact CD1-CE2 3.29Å; W306-W361 AromaticContact CD1-CH2 3.78Å; W306-W361 AromaticContact CD1-CZ2 3.14Å; W306-W361 AromaticContact CD1-NE1 3.62Å; W306-W361 AromaticContact CD2-CH2 3.95Å; W306-W361 HydrophobicContact CD2-CH2 3.95Å; W306-W361 AromaticContact CD2-CZ2 3.42Å; W306-W361 HydrophobicContact CD2-CZ2 3.42Å; W306-W361 VanDerWaalsContact CD2-CZ2 3.42Å; W306-W361 AromaticContact CE2-CE2 3.97Å; W306-W361 AromaticContact CE2-CZ2 3.47Å; W306-W361 VanDerWaalsContact CE2-CZ2 3.47Å; W306-W361 HydrophobicContact CE3-CZ2 4.23Å; W306-W361 AromaticContact CG-CE2 3.88Å; W306-W361 AromaticContact CG-CH2 3.52Å; W306-W361 HydrophobicContact CG-CH2 3.52Å; W306-W361 AromaticContact CG-CZ2 3.23Å; W306-W361 HydrophobicContact CG-CZ2 3.23Å; W306-W361 HydrophobicContact CG-CZ3 4.39Å; W306-W361 HydrophobicContact CZ2-CZ2 4.29Å; W306-W361 AromaticContact NE1-CE2 3.36Å; W306-W361 AromaticContact NE1-CZ2 3.3Å; W306-W361 VanDerWaalsContact NE1-CZ2 3.3Å; W306-W361 AromaticContact NE1-NE1 3.26Å; M336-W361 HydrophobicContact CE-CE3 3.94Å; M336-W361 HydrophobicContact CE-CZ3 4.48Å; Y339-W361 CarbonylContact O-C 3.58Å; Y339-W361 WeakPolarHBondContact O-CA 3.45Å; Y339-W361 WeakPolarHBondContact O-CB 3.45Å; A340-W361 HydrophobicContact CB-CB 3.63Å; W359-W361 HydrophobicContact CB-CE3 3.66Å; W359-W361 HydrophobicContact CB-CH2 4.3Å; W359-W361 HydrophobicContact CB-CZ3 3.36Å; W359-W361 HydrophobicContact CD2-CZ3 4.19Å; W359-W361 HydrophobicContact CE3-CE3 4.26Å; W359-W361 HydrophobicContact CE3-CZ3 4.26Å; W359-W361 HydrophobicContact CG-CE3 4.37Å; W359-W361 AromaticContact CG-CZ3 3.84Å; W359-W361 HydrophobicContact CG-CZ3 3.84Å; W361-G365 PolarHBondContact NE1-O 3.34Å; W361-L366 HydrophobicContact CH2-CD1 3.89Å; W361-L366 HydrophobicContact CZ2-CD1 3.73Å; W361-I367 HydrophobicContact CB-CD1 3.87Å; W361-I367 HydrophobicContact CD2-CB 3.99Å; W361-I367 HydrophobicContact CD2-CG2 3.49Å; W361-I367 VanDerWaalsContact CD2-CG2 3.49Å; W361-I367 HydrophobicContact CE3-CG2 3.68Å; W361-I367 HydrophobicContact CG-CB 3.93Å; W361-I367 HydrophobicContact CG-CD1 4.12Å; W361-I367 HydrophobicContact CG-CG2 3.89Å; W361-I367 HydrophobicContact CH2-CG2 4.27Å; W361-I367 HydrophobicContact CZ2-CG2 4.08Å; W361-I367 HydrophobicContact CZ3-CG2 4.07Å; W361-F368 HydrophobicContact CH2-CD2 4.48Å; W361-F368 AromaticContact CH2-CE2 3.8Å; W361-F368 HydrophobicContact CH2-CE2 3.8Å; W361-F368 AromaticContact CZ3-CE2 3.87Å; W361-F368 HydrophobicContact CZ3-CE2 3.87Å; W361-F368 HydrophobicContact CZ3-CZ 4.3Å; W361-W383 AromaticContact CH2-CE3 3.67Å; W361-W383 HydrophobicContact CH2-CE3 3.67Å; W361-W383 AromaticContact CH2-CZ3 3.69Å; W361-W383 HydrophobicContact CH2-CZ3 3.69Å; W361-W383 HydrophobicContact CZ3-CE3 4.23Å; W361-W383 AromaticContact CZ3-CZ3 3.76Å; W361-W383 HydrophobicContact CZ3-CZ3 3.76Å
362A91.1Very high87.6Confident2 Ų235.6 Ų35.62%0.01719%0.193CC..EExtended strand (participates in β ladder)trans-67.8141174.700000110.6L268 A302 Y303 Y339L268-A362 HydrophobicContact CB-CB 3.98Å; L268-A362 HydrophobicContact CD1-CB 4.13Å; L268-A362 WeakPolarHBondContact CD1-O 3.36Å; A302-A362 CarbonylContact O-C 3.54Å; A302-A362 WeakPolarHBondContact O-CA 3.49Å; Y303-A362 HydrophobicContact CD1-CB 4.14Å; Y303-A362 HydrophobicContact CE1-CB 3.65Å; Y339-A362 PolarHBondContact O-N 3.22Å
363G87.2Confident87.3Confident8 Ų833.7 Ų33.78%0.08218%0.183CC..SBendtrans90.9162.2-170.800000113.2A302 S304A302-G363 PolarHBondContact O-N 3.38Å; S304-G363 WeakPolarHBondContact CB-O 3.4Å; S304-G363 PolarHBondContact N-O 3.35Å; S304-G363 PolarHBondContact OG-O 2.71Å
364T84.6Confident87.3Confident74 Ų7433.8 Ų33.845%0.45418%0.184SC..SBendtrans-101.7-11.7-178.8530000113.5K385T364-K385 WeakPolarHBondContact O-CE 3.27Å; T364-K385 PolarHBondContact O-NZ 2.8Å
365G84.7Confident87Confident41 Ų4135.4 Ų35.442%0.42319%0.188SC..SBendtrans-95.1-179.9175.300000112.7W361 I367W361-G365 PolarHBondContact NE1-O 3.34Å; G365-I367 PolarHBondContact O-N 2.86Å
366L85.8Confident86.4Confident19 Ų1937.6 Ų37.610%0.09920%0.202CC..  trans-74.7112.3177.3-170.562000109.4W306 W361 F368 E369 Y378 W383W306-L366 HydrophobicContact CD2-CD1 4.49Å; W306-L366 HydrophobicContact CE3-CD1 4.06Å; W306-L366 HydrophobicContact CH2-CB 4.07Å; W306-L366 HydrophobicContact CH2-CD1 4.21Å; W306-L366 HydrophobicContact CZ2-CB 4.47Å; W306-L366 HydrophobicContact CZ3-CD1 3.91Å; W361-L366 HydrophobicContact CH2-CD1 3.89Å; W361-L366 HydrophobicContact CZ2-CD1 3.73Å; L366-F368 HydrophobicContact CD1-CD2 3.8Å; L366-F368 HydrophobicContact CD1-CE2 4.29Å; L366-F368 HydrophobicContact CG-CD2 4.01Å; L366-F368 PolarHBondContact O-N 2.85Å; L366-F368 VanDerWaalsContact O-N 3.16Å; L366-E369 HydrophobicContact CB-CG 4.16Å; L366-E369 HydrophobicContact CD2-CG 4.22Å; L366-E369 HydrophobicContact CG-CG 4.41Å; L366-E369 WeakPolarHBondContact O-CB 3.47Å; L366-E369 PolarHBondContact O-N 3.4Å; L366-E369 VanDerWaalsContact O-N 3.08Å; L366-Y378 HydrophobicContact CD2-CD2 3.99Å; L366-Y378 HydrophobicContact CD2-CE2 3.85Å; L366-W383 HydrophobicContact CD1-CB 3.86Å; L366-W383 HydrophobicContact CD1-CD2 4.02Å; L366-W383 HydrophobicContact CD1-CE3 4.36Å; L366-W383 HydrophobicContact CD1-CG 3.78Å; L366-W383 HydrophobicContact CD2-CG 4.49Å
367I87.8Confident85.7Confident1 Ų134.3 Ų34.31%0.00519%0.189CC..G310 helixtrans-61-28.6-171.8-169.6162.2000113.6L265 L268 M336 W361 G365 E369 L370L265-I367 HydrophobicContact CD2-CD1 4.04Å; L265-I367 HydrophobicContact CD2-CG1 3.63Å; L268-I367 HydrophobicContact CD1-CD1 4.06Å; L268-I367 HydrophobicContact CD1-CG1 4.45Å; M336-I367 HydrophobicContact CB-CD1 3.92Å; M336-I367 HydrophobicContact CB-CG1 4.45Å; M336-I367 HydrophobicContact CE-CD1 4.27Å; M336-I367 HydrophobicContact CE-CG2 3.42Å; M336-I367 VanDerWaalsContact CE-CG2 3.42Å; M336-I367 HydrophobicContact SD-CG2 3.82Å; W361-I367 HydrophobicContact CB-CD1 3.87Å; W361-I367 HydrophobicContact CD2-CB 3.99Å; W361-I367 HydrophobicContact CD2-CG2 3.49Å; W361-I367 VanDerWaalsContact CD2-CG2 3.49Å; W361-I367 HydrophobicContact CE3-CG2 3.68Å; W361-I367 HydrophobicContact CG-CB 3.93Å; W361-I367 HydrophobicContact CG-CD1 4.12Å; W361-I367 HydrophobicContact CG-CG2 3.89Å; W361-I367 HydrophobicContact CH2-CG2 4.27Å; W361-I367 HydrophobicContact CZ2-CG2 4.08Å; W361-I367 HydrophobicContact CZ3-CG2 4.07Å; G365-I367 PolarHBondContact O-N 2.86Å; I367-E369 PolarHBondContact O-N 3.24Å; I367-L370 HydrophobicContact CG1-CD1 4.28Å; I367-L370 VanDerWaalsContact O-CB 3.31Å; I367-L370 WeakPolarHBondContact O-CB 3.32Å; I367-L370 PolarHBondContact O-N 3.37Å; I367-L370 VanDerWaalsContact O-N 3.11Å
368F86.7Confident85.3Confident0 Ų035.8 Ų35.80%019%0.194CC..G310 helixtrans-64.1-25.4178-54-78000112.7F329 M336 W361 L366 L370 L374 Q375 Y378 W383F329-F368 HydrophobicContact CE2-CE1 4Å; F329-F368 HydrophobicContact CE2-CZ 4.44Å; F329-F368 AromaticContact CZ-CE1 3.77Å; F329-F368 HydrophobicContact CZ-CE1 3.77Å; F329-F368 AromaticContact CZ-CZ 3.78Å; F329-F368 HydrophobicContact CZ-CZ 3.78Å; M336-F368 HydrophobicContact CE-CE1 4.29Å; M336-F368 HydrophobicContact CE-CZ 4.11Å; M336-F368 HydrophobicContact SD-CD1 4.1Å; M336-F368 HydrophobicContact SD-CE1 3.46Å; M336-F368 WeakPolarHBondContact SD-CE1 3.39Å; M336-F368 HydrophobicContact SD-CZ 3.9Å; W361-F368 HydrophobicContact CH2-CD2 4.48Å; W361-F368 AromaticContact CH2-CE2 3.8Å; W361-F368 HydrophobicContact CH2-CE2 3.8Å; W361-F368 AromaticContact CZ3-CE2 3.87Å; W361-F368 HydrophobicContact CZ3-CE2 3.87Å; W361-F368 HydrophobicContact CZ3-CZ 4.3Å; L366-F368 HydrophobicContact CD1-CD2 3.8Å; L366-F368 HydrophobicContact CD1-CE2 4.29Å; L366-F368 HydrophobicContact CG-CD2 4.01Å; L366-F368 PolarHBondContact O-N 2.85Å; L366-F368 VanDerWaalsContact O-N 3.16Å; F368-L370 PolarHBondContact O-N 3.02Å; F368-L374 HydrophobicContact CB-CB 4.48Å; F368-L374 HydrophobicContact CD1-CB 4.02Å; F368-L374 WeakPolarHBondContact CD1-O 3.49Å; F368-Q375 WeakPolarHBondContact O-CG 3.46Å; F368-Q375 PolarHBondContact O-NE2 3.26Å; F368-Y378 HydrophobicContact CB-CD1 4.09Å; F368-Y378 HydrophobicContact CB-CD2 3.61Å; F368-Y378 HydrophobicContact CB-CE2 4.2Å; F368-Y378 HydrophobicContact CB-CG 3.54Å; F368-Y378 HydrophobicContact CD1-CG 4.32Å; F368-Y378 HydrophobicContact CD2-CD2 4.07Å; F368-Y378 HydrophobicContact CD2-CG 4.2Å; F368-Y378 VanDerWaalsContact CG-CB 3.48Å; F368-Y378 AromaticContact CG-CD2 3.98Å; F368-Y378 HydrophobicContact CG-CD2 3.98Å; F368-Y378 AromaticContact CG-CG 3.77Å; F368-Y378 HydrophobicContact CG-CG 3.77Å; F368-W383 HydrophobicContact CD2-CH2 4.48Å; F368-W383 HydrophobicContact CD2-CZ2 4.13Å; F368-W383 HydrophobicContact CE2-CD2 4.12Å; F368-W383 AromaticContact CE2-CE2 3.72Å; F368-W383 HydrophobicContact CE2-CE3 4.11Å; F368-W383 AromaticContact CE2-CH2 3.34Å; F368-W383 HydrophobicContact CE2-CH2 3.34Å; F368-W383 AromaticContact CE2-CZ2 3.34Å; F368-W383 HydrophobicContact CE2-CZ2 3.34Å; F368-W383 AromaticContact CE2-CZ3 3.73Å; F368-W383 HydrophobicContact CE2-CZ3 3.73Å; F368-W383 AromaticContact CZ-CH2 3.48Å; F368-W383 HydrophobicContact CZ-CH2 3.48Å; F368-W383 VanDerWaalsContact CZ-CH2 3.48Å; F368-W383 AromaticContact CZ-CZ2 3.64Å; F368-W383 HydrophobicContact CZ-CZ2 3.64Å; F368-W383 HydrophobicContact CZ-CZ3 4.2Å
369E84.2Confident84.9Confident117 Ų11742 Ų4255%0.54722%0.223SC..G310 helixtrans-75-10.8177.4-62.3-179.8168.900112.9L366 I367L366-E369 HydrophobicContact CB-CG 4.16Å; L366-E369 HydrophobicContact CD2-CG 4.22Å; L366-E369 HydrophobicContact CG-CG 4.41Å; L366-E369 WeakPolarHBondContact O-CB 3.47Å; L366-E369 PolarHBondContact O-N 3.4Å; L366-E369 VanDerWaalsContact O-N 3.08Å; I367-E369 PolarHBondContact O-N 3.24Å
370L83.1Confident84.4Confident53 Ų5343.6 Ų43.628%0.27723%0.234SC..G310 helixtrans-86.3-22.2-175.2-59.4179.7000113.7R264 L265 L268 I367 F368R264-L370 HydrophobicContact CB-CB 4.23Å; R264-L370 WeakPolarHBondContact CB-O 3.34Å; L265-L370 HydrophobicContact CD2-CB 4.01Å; L265-L370 HydrophobicContact CD2-CD1 4.21Å; L268-L370 HydrophobicContact CD1-CD1 4.07Å; L268-L370 HydrophobicContact CD2-CD1 3.64Å; L268-L370 HydrophobicContact CG-CD1 4.11Å; I367-L370 HydrophobicContact CG1-CD1 4.28Å; I367-L370 VanDerWaalsContact O-CB 3.31Å; I367-L370 WeakPolarHBondContact O-CB 3.32Å; I367-L370 PolarHBondContact O-N 3.37Å; I367-L370 VanDerWaalsContact O-N 3.11Å; F368-L370 PolarHBondContact O-N 3.02Å
371D80.3Confident84.2Confident20 Ų2043.9 Ų43.911%0.10724%0.235CC..  trans-142.5120-176.7-161.2-43.6000109S263 L265 D373 L374S263-D371 PolarHBondContact OG-OD2 3.07Å; L265-D371 HydrophobicContact CD1-CB 4.12Å; L265-D371 HydrophobicContact CG-CB 4.26Å; D371-D373 PolarHBondContact O-N 3.33Å; D371-D373 VanDerWaalsContact O-N 3.13Å; D371-D373 WeakPolarHBondContact OD1-CB 3.29Å; D371-D373 PolarHBondContact OD1-N 3.32Å; D371-D373 VanDerWaalsContact OD1-N 3.13Å; D371-L374 HydrophobicContact CB-CD1 4Å; D371-L374 HydrophobicContact CB-CG 4.02Å; D371-L374 WeakPolarHBondContact O-CB 3.42Å; D371-L374 PolarHBondContact O-N 3.14Å
372E78.7Confident83.9Confident152 Ų15246.4 Ų46.471%0.7125%0.253SS*.G310 helixtrans-57.2-28.9-178.9-66.8178.7179.300111.6L374 Q375E372-L374 PolarHBondContact O-N 2.94Å; E372-Q375 WeakPolarHBondContact O-CB 3.39Å; E372-Q375 PolarHBondContact O-N 2.85Å; E372-Q375 VanDerWaalsContact O-N 3.15Å
373D77.1Confident83.8Confident79 Ų7948.3 Ų48.342%0.42226%0.26SS..G310 helixtrans-69.7-23.1178.6-68-37.4000112.8K335 D371 Q375 T376K335-D373 HydrophobicContact CD-CB 4.18Å; K335-D373 IonicContact NZ-OD2 3.28Å; K335-D373 PolarHBondContact NZ-OD2 3.1Å; D371-D373 PolarHBondContact O-N 3.33Å; D371-D373 VanDerWaalsContact O-N 3.13Å; D371-D373 WeakPolarHBondContact OD1-CB 3.29Å; D371-D373 PolarHBondContact OD1-N 3.32Å; D371-D373 VanDerWaalsContact OD1-N 3.13Å; D373-Q375 VanDerWaalsContact C-N 3.32Å; D373-T376 PolarHBondContact O-OG1 2.92Å
374L82.5Confident84Confident6 Ų654 Ų543%0.03128%0.284CS..G310 helixtrans-81.5-12.2175.6-64.4179.5000112.7L265 K335 M336 F368 D371 E372 T376L265-L374 HydrophobicContact CD1-CD1 3.98Å; L265-L374 HydrophobicContact CD2-CD1 4.02Å; K335-L374 HydrophobicContact CB-CD2 4.14Å; M336-L374 HydrophobicContact CB-CD1 3.97Å; M336-L374 HydrophobicContact CB-CD2 4.27Å; M336-L374 HydrophobicContact CG-CD1 4.22Å; M336-L374 HydrophobicContact CG-CD2 3.88Å; M336-L374 HydrophobicContact SD-CD1 4.18Å; M336-L374 HydrophobicContact SD-CD2 4.2Å; F368-L374 HydrophobicContact CB-CB 4.48Å; F368-L374 HydrophobicContact CD1-CB 4.02Å; F368-L374 WeakPolarHBondContact CD1-O 3.49Å; D371-L374 HydrophobicContact CB-CD1 4Å; D371-L374 HydrophobicContact CB-CG 4.02Å; D371-L374 WeakPolarHBondContact O-CB 3.42Å; D371-L374 PolarHBondContact O-N 3.14Å; E372-L374 PolarHBondContact O-N 2.94Å; L374-T376 PolarHBondContact O-N 3.3Å
375Q82.1Confident84.3Confident69 Ų6955.3 Ų55.332%0.32228%0.284SS..G310 helixtrans-80.75.8-172.2-66.3-178.9-100114.4F368 E372 D373 Y378F368-Q375 WeakPolarHBondContact O-CG 3.46Å; F368-Q375 PolarHBondContact O-NE2 3.26Å; E372-Q375 WeakPolarHBondContact O-CB 3.39Å; E372-Q375 PolarHBondContact O-N 2.85Å; E372-Q375 VanDerWaalsContact O-N 3.15Å; D373-Q375 VanDerWaalsContact C-N 3.32Å; Q375-Y378 VanDerWaalsContact CA-CD1 3.41Å; Q375-Y378 HydrophobicContact CB-CD1 4.02Å; Q375-Y378 HydrophobicContact CB-CE1 3.64Å; Q375-Y378 HydrophobicContact CG-CD1 4.31Å; Q375-Y378 HydrophobicContact CG-CE1 3.79Å; Q375-Y378 WeakPolarHBondContact O-CD1 2.99Å
376T76.2Confident84.6Confident46 Ų4654.7 Ų54.728%0.28227%0.27SS..G310 helixtrans-67.4-43.9-169.5-55.30000113.9Q117 D373 L374Q117-T376 PolarHBondContact NE2-OG1 2.95Å; Q117-T376 PolarHBondContact OE1-OG1 3.5Å; D373-T376 PolarHBondContact O-OG1 2.92Å; L374-T376 PolarHBondContact O-N 3.3Å
377D79Confident84.8Confident29 Ų2958 Ų5816%0.15529%0.288CS..THydrogen-bonded Turntrans-125.9-5-179.1-37.2-69000114.7F329 R332 E379 S380F329-D377 HydrophobicContact CD2-CB 3.89Å; F329-D377 WeakPolarHBondContact CD2-OD2 3.3Å; F329-D377 HydrophobicContact CE2-CB 4.46Å; R332-D377 IonicContact CZ-OD1 3.18Å; R332-D377 VanDerWaalsContact CZ-OD1 3.28Å; R332-D377 IonicContact CZ-OD2 3.14Å; R332-D377 IonicContact NE-OD1 2.76Å; R332-D377 PolarHBondContact NE-OD1 3.3Å; R332-D377 VanDerWaalsContact NE-OD1 3.14Å; R332-D377 IonicContact NE-OD2 2.94Å; R332-D377 PolarHBondContact NE-OD2 2.97Å; R332-D377 IonicContact NH2-OD1 2.7Å; R332-D377 PolarHBondContact NH2-OD1 3.27Å; R332-D377 IonicContact NH2-OD2 2.65Å; R332-D377 PolarHBondContact NH2-OD2 3.49Å; D377-E379 PolarHBondContact O-N 2.81Å; D377-E379 VanDerWaalsContact O-N 3.09Å; D377-S380 VanDerWaalsContact O-CB 3.32Å; D377-S380 WeakPolarHBondContact O-CB 3.3Å; D377-S380 PolarHBondContact O-N 3.47Å; D377-S380 PolarHBondContact O-OG 3.32Å
378Y84.8Confident84.9Confident32 Ų3260.7 Ų60.713%0.12530%0.301CS..G310 helixtrans-59.1-29.4-172.585-68.3000111.8L366 F368 Q375 S380 Y381 W383L366-Y378 HydrophobicContact CD2-CD2 3.99Å; L366-Y378 HydrophobicContact CD2-CE2 3.85Å; F368-Y378 HydrophobicContact CB-CD1 4.09Å; F368-Y378 HydrophobicContact CB-CD2 3.61Å; F368-Y378 HydrophobicContact CB-CE2 4.2Å; F368-Y378 HydrophobicContact CB-CG 3.54Å; F368-Y378 HydrophobicContact CD1-CG 4.32Å; F368-Y378 HydrophobicContact CD2-CD2 4.07Å; F368-Y378 HydrophobicContact CD2-CG 4.2Å; F368-Y378 VanDerWaalsContact CG-CB 3.48Å; F368-Y378 AromaticContact CG-CD2 3.98Å; F368-Y378 HydrophobicContact CG-CD2 3.98Å; F368-Y378 AromaticContact CG-CG 3.77Å; F368-Y378 HydrophobicContact CG-CG 3.77Å; Q375-Y378 VanDerWaalsContact CA-CD1 3.41Å; Q375-Y378 HydrophobicContact CB-CD1 4.02Å; Q375-Y378 HydrophobicContact CB-CE1 3.64Å; Q375-Y378 HydrophobicContact CG-CD1 4.31Å; Q375-Y378 HydrophobicContact CG-CE1 3.79Å; Q375-Y378 WeakPolarHBondContact O-CD1 2.99Å; Y378-S380 PolarHBondContact O-N 3.06Å; Y378-Y381 PolarHBondContact O-N 3.08Å; Y378-Y381 VanDerWaalsContact O-N 3.08Å; Y378-Y381 VanDerWaalsContact O-O 3.13Å; Y378-W383 AromaticContact CD2-NE1 3.95Å; Y378-W383 PolarHBondContact O-NE1 3.2Å
379E84.5Confident85Confident134 Ų13465.8 Ų65.863%0.62633%0.328SS*.G310 helixtrans-65.7-17.2176-56.1-172.1160.200113.9L311 D377 Y381L311-E379 WeakPolarHBondContact CD1-O 3.41Å; D377-E379 PolarHBondContact O-N 2.81Å; D377-E379 VanDerWaalsContact O-N 3.09Å; E379-Y381 PolarHBondContact O-N 3.47Å
380S85.3Confident85.3Confident32 Ų3261.5 Ų61.522%0.22431%0.313CS..G310 helixtrans-74.4-5.8173.5-56.70000113Y310 L311 D377 Y378Y310-S380 VanDerWaalsContact CD2-O 3.26Å; Y310-S380 WeakPolarHBondContact CD2-O 3.41Å; L311-S380 PolarHBondContact N-O 3.43Å; D377-S380 VanDerWaalsContact O-CB 3.32Å; D377-S380 WeakPolarHBondContact O-CB 3.3Å; D377-S380 PolarHBondContact O-N 3.47Å; D377-S380 PolarHBondContact O-OG 3.32Å; Y378-S380 PolarHBondContact O-N 3.06Å
381Y88.7Confident85.7Confident7 Ų765.6 Ų65.63%0.02733%0.33CS..EExtended strand (participates in β ladder)trans-121.7139.5179.3-57.8-93.3000110.2S309 Y310 L325 F329 M344 I355 Y378 E379 W383S309-Y381 CarbonylContact O-C 3.56Å; S309-Y381 VanDerWaalsContact O-CA 3.25Å; S309-Y381 WeakPolarHBondContact O-CA 3.45Å; Y310-Y381 AromaticContact CD2-CD1 3.95Å; Y310-Y381 HydrophobicContact CD2-CD1 3.95Å; Y310-Y381 AromaticContact CD2-CE1 3.56Å; Y310-Y381 HydrophobicContact CD2-CE1 3.56Å; Y310-Y381 HydrophobicContact CD2-CE2 4.18Å; Y310-Y381 HydrophobicContact CD2-CG 4.41Å; Y310-Y381 AromaticContact CD2-CZ 3.7Å; Y310-Y381 HydrophobicContact CG-CD1 4.47Å; Y310-Y381 HydrophobicContact CG-CE1 4.15Å; L325-Y381 WeakPolarHBondContact CD2-OH 3.47Å; F329-Y381 HydrophobicContact CD1-CE2 4.49Å; F329-Y381 HydrophobicContact CG-CE2 4.48Å; M344-Y381 HydrophobicContact CE-CD1 4.14Å; M344-Y381 HydrophobicContact CE-CE1 3.39Å; I355-Y381 HydrophobicContact CB-CE1 4.37Å; I355-Y381 HydrophobicContact CD1-CE1 4.48Å; I355-Y381 HydrophobicContact CG2-CE1 4.11Å; Y378-Y381 PolarHBondContact O-N 3.08Å; Y378-Y381 VanDerWaalsContact O-N 3.08Å; Y378-Y381 VanDerWaalsContact O-O 3.13Å; E379-Y381 PolarHBondContact O-N 3.47Å; Y381-W383 HydrophobicContact CD2-CZ2 4.48Å; Y381-W383 HydrophobicContact CG-CZ2 4.42Å; Y381-W383 PolarHBondContact O-NE1 3.38Å
382S86.9Confident86.2Confident54 Ų5468.9 Ų68.938%0.37836%0.355SS..EExtended strand (participates in β ladder)trans-74.8136.3161.459.70000108.8C308 S309C308-S382 WeakPolarHBondContact CA-O 3.3Å; S309-S382 PolarHBondContact N-O 2.99Å; S309-S382 VanDerWaalsContact N-O 3.15Å; S309-S382 PolarHBondContact O-N 2.91Å; S309-S382 PolarHBondContact O-OG 3.31Å
383W90.5Very high86.7Confident42 Ų4261.8 Ų61.816%0.15932%0.322CS..EExtended strand (participates in β ladder)trans-116129.5177.7-61.490.1000110.2W306 C308 F329 W359 W361 L366 F368 Y378 Y381W306-W383 HydrophobicContact CB-CE3 4.49Å; W306-W383 HydrophobicContact CE3-CB 3.97Å; W306-W383 HydrophobicContact CZ3-CB 4.15Å; C308-W383 HydrophobicContact CB-CD2 3.99Å; C308-W383 HydrophobicContact CB-CE3 3.59Å; C308-W383 HydrophobicContact CB-CH2 3.89Å; C308-W383 HydrophobicContact CB-CZ2 4.24Å; C308-W383 HydrophobicContact CB-CZ3 3.55Å; F329-W383 HydrophobicContact CZ-CH2 4.17Å; F329-W383 HydrophobicContact CZ-CZ2 4.12Å; W359-W383 HydrophobicContact CB-CZ3 4.49Å; W359-W383 AromaticContact CD1-CZ3 3.65Å; W359-W383 HydrophobicContact CD2-CZ3 4.44Å; W359-W383 HydrophobicContact CG-CH2 4.48Å; W359-W383 AromaticContact CG-CZ3 3.96Å; W359-W383 HydrophobicContact CG-CZ3 3.96Å; W359-W383 AromaticContact NE1-CH2 3.98Å; W359-W383 AromaticContact NE1-CZ3 3.99Å; W361-W383 AromaticContact CH2-CE3 3.67Å; W361-W383 HydrophobicContact CH2-CE3 3.67Å; W361-W383 AromaticContact CH2-CZ3 3.69Å; W361-W383 HydrophobicContact CH2-CZ3 3.69Å; W361-W383 HydrophobicContact CZ3-CE3 4.23Å; W361-W383 AromaticContact CZ3-CZ3 3.76Å; W361-W383 HydrophobicContact CZ3-CZ3 3.76Å; L366-W383 HydrophobicContact CD1-CB 3.86Å; L366-W383 HydrophobicContact CD1-CD2 4.02Å; L366-W383 HydrophobicContact CD1-CE3 4.36Å; L366-W383 HydrophobicContact CD1-CG 3.78Å; L366-W383 HydrophobicContact CD2-CG 4.49Å; F368-W383 HydrophobicContact CD2-CH2 4.48Å; F368-W383 HydrophobicContact CD2-CZ2 4.13Å; F368-W383 HydrophobicContact CE2-CD2 4.12Å; F368-W383 AromaticContact CE2-CE2 3.72Å; F368-W383 HydrophobicContact CE2-CE3 4.11Å; F368-W383 AromaticContact CE2-CH2 3.34Å; F368-W383 HydrophobicContact CE2-CH2 3.34Å; F368-W383 AromaticContact CE2-CZ2 3.34Å; F368-W383 HydrophobicContact CE2-CZ2 3.34Å; F368-W383 AromaticContact CE2-CZ3 3.73Å; F368-W383 HydrophobicContact CE2-CZ3 3.73Å; F368-W383 AromaticContact CZ-CH2 3.48Å; F368-W383 HydrophobicContact CZ-CH2 3.48Å; F368-W383 VanDerWaalsContact CZ-CH2 3.48Å; F368-W383 AromaticContact CZ-CZ2 3.64Å; F368-W383 HydrophobicContact CZ-CZ2 3.64Å; F368-W383 HydrophobicContact CZ-CZ3 4.2Å; Y378-W383 AromaticContact CD2-NE1 3.95Å; Y378-W383 PolarHBondContact O-NE1 3.2Å; Y381-W383 HydrophobicContact CD2-CZ2 4.48Å; Y381-W383 HydrophobicContact CG-CZ2 4.42Å; Y381-W383 PolarHBondContact O-NE1 3.38Å
384E89.8Confident87.4Confident127 Ų12761.9 Ų61.959%0.59332%0.319SS*.EExtended strand (participates in β ladder)trans-126.4125.6176-178.8179.4-17800109.1W306 S307 L386W306-E384 CarbonylContact C-O 3.5Å; W306-E384 VanDerWaalsContact CA-O 3.27Å; W306-E384 WeakPolarHBondContact CA-O 3.49Å; W306-E384 VanDerWaalsContact CE3-C 3.49Å; S307-E384 PolarHBondContact N-O 3.35Å; S307-E384 PolarHBondContact O-N 3.27Å; E384-L386 HydrophobicContact CG-CD2 4.39Å
385K91.4Very high87.8Confident102 Ų10264.2 Ų64.244%0.44334%0.339SS..EExtended strand (participates in β ladder)trans-78.5123.3174.3-173.9178.5177.1177.60108.9W306 T364W306-K385 HydrophobicContact CD2-CB 3.95Å; W306-K385 HydrophobicContact CD2-CG 4.33Å; W306-K385 HydrophobicContact CE3-CB 3.89Å; W306-K385 HydrophobicContact CH2-CB 3.79Å; W306-K385 HydrophobicContact CH2-CD 4.47Å; W306-K385 HydrophobicContact CH2-CG 4.45Å; W306-K385 HydrophobicContact CZ2-CB 3.81Å; W306-K385 HydrophobicContact CZ2-CD 3.94Å; W306-K385 HydrophobicContact CZ2-CG 3.98Å; W306-K385 HydrophobicContact CZ3-CB 3.82Å; T364-K385 WeakPolarHBondContact O-CE 3.27Å; T364-K385 PolarHBondContact O-NZ 2.8Å
386L90.8Very high88.2Confident27 Ų2763.2 Ų63.214%0.14134%0.336CS..EExtended strand (participates in β ladder)trans-89.7144.4-177.7-58.9-178.1000111.4I305 E384 H388 T393 L396I305-L386 HydrophobicContact CB-CB 4.38Å; I305-L386 HydrophobicContact CG2-CB 4.37Å; I305-L386 HydrophobicContact CG2-CD1 4.09Å; I305-L386 PolarHBondContact O-N 3.47Å; E384-L386 HydrophobicContact CG-CD2 4.39Å; L386-H388 PolarHBondContact O-N 3.22Å; L386-T393 HydrophobicContact CB-CG2 3.73Å; L386-T393 HydrophobicContact CD1-CG2 4.05Å; L386-L396 HydrophobicContact CD1-CD2 3.74Å
387D89.9Confident89Confident89 Ų8961 Ų6148%0.47632%0.322SS..  trans-78114.8169.4179.911000109.8N389 A390 T393D387-N389 PolarHBondContact O-N 3.22Å; D387-N389 PolarHBondContact OD1-N 3.31Å; D387-A390 HydrophobicContact CB-CB 4.14Å; D387-A390 WeakPolarHBondContact O-CB 3.4Å; D387-A390 PolarHBondContact O-N 3.15Å; D387-A390 VanDerWaalsContact O-N 3.09Å; D387-T393 WeakPolarHBondContact O-CB 3.49Å; D387-T393 WeakPolarHBondContact O-CG2 3.43Å; D387-T393 PolarHBondContact O-OG1 3.48Å
388H89.3Confident89.7Confident57 Ų5763 Ų6326%0.26433%0.33SS..THydrogen-bonded Turntrans-59.5-23.4178.366.6-75000113.9W295 F298 I305 L386W295-H388 HydrophobicContact CZ3-CB 4.3Å; F298-H388 HydrophobicContact CD1-CB 4.44Å; F298-H388 HydrophobicContact CE1-CB 3.78Å; I305-H388 HydrophobicContact CD1-CB 4.25Å; L386-H388 PolarHBondContact O-N 3.22Å
389N89.8Confident89.9Confident108 Ų10865.9 Ų65.958%0.57835%0.345SS*.THydrogen-bonded Turntrans-84.5-17.4178.1-68-50.2000113.3D387D387-N389 PolarHBondContact O-N 3.22Å; D387-N389 PolarHBondContact OD1-N 3.31Å
390A91.4Very high90.2Very high27 Ų2760 Ų6022%0.22332%0.317CS..SBendtrans-71133.4-178.400000111.2D387 S392 T393 K394D387-A390 HydrophobicContact CB-CB 4.14Å; D387-A390 WeakPolarHBondContact O-CB 3.4Å; D387-A390 PolarHBondContact O-N 3.15Å; D387-A390 VanDerWaalsContact O-N 3.09Å; A390-S392 PolarHBondContact O-N 3.41Å; A390-T393 WeakPolarHBondContact O-CB 3.48Å; A390-T393 PolarHBondContact O-N 3.25Å; A390-K394 PolarHBondContact O-N 3.37Å; A390-K394 VanDerWaalsContact O-N 3.16Å
391E90.9Very high90.5Very high138 Ų13858.6 Ų58.665%0.64531%0.307SS*.Hα-helixtrans-60.6-33.4178.7-165.158.3-148.300111.8T393 K394 A395E391-T393 VanDerWaalsContact C-N 3.31Å; E391-T393 PolarHBondContact O-N 3.19Å; E391-K394 PolarHBondContact O-N 2.87Å; E391-A395 WeakPolarHBondContact O-CB 3.48Å; E391-A395 PolarHBondContact O-N 2.82Å
392S90.1Very high90.5Very high89 Ų8959.7 Ų59.762%0.62231%0.314SS*.Hα-helixtrans-60.9-38173.353.90000112.7A390 L396A390-S392 PolarHBondContact O-N 3.41Å; S392-L396 WeakPolarHBondContact O-CB 3.33Å; S392-L396 PolarHBondContact O-N 3.14Å
393T89.6Confident90.3Very high4 Ų458.5 Ų58.53%0.02530%0.301CS..Hα-helixtrans-69.6-43.1177.3-55.80000110.6I305 L386 D387 A390 E391 A395 L396 V397I305-T393 HydrophobicContact CD1-CG2 4.15Å; I305-T393 HydrophobicContact CG2-CG2 4.38Å; L386-T393 HydrophobicContact CB-CG2 3.73Å; L386-T393 HydrophobicContact CD1-CG2 4.05Å; D387-T393 WeakPolarHBondContact O-CB 3.49Å; D387-T393 WeakPolarHBondContact O-CG2 3.43Å; D387-T393 PolarHBondContact O-OG1 3.48Å; A390-T393 WeakPolarHBondContact O-CB 3.48Å; A390-T393 PolarHBondContact O-N 3.25Å; E391-T393 VanDerWaalsContact C-N 3.31Å; E391-T393 PolarHBondContact O-N 3.19Å; T393-A395 PolarHBondContact O-N 3.23Å; T393-L396 PolarHBondContact O-N 3.11Å; T393-V397 HydrophobicContact CG2-CG2 4.36Å; T393-V397 VanDerWaalsContact O-CG2 3.28Å; T393-V397 WeakPolarHBondContact O-CG2 3.39Å; T393-V397 PolarHBondContact O-N 3.32Å
394K91.9Very high89.5Confident81 Ų8161.9 Ų61.935%0.35232%0.317SS..Hα-helixtrans-60.7-45.6176.4-66.9-179.9-177172.90111.7W295 A390 E391 V397 H398W295-K394 HydrophobicContact CH2-CG 3.99Å; W295-K394 HydrophobicContact CZ2-CB 4.29Å; W295-K394 HydrophobicContact CZ2-CG 3.85Å; A390-K394 PolarHBondContact O-N 3.37Å; A390-K394 VanDerWaalsContact O-N 3.16Å; E391-K394 PolarHBondContact O-N 2.87Å; K394-V397 PolarHBondContact O-N 2.86Å; K394-H398 VanDerWaalsContact O-CB 3.32Å; K394-H398 WeakPolarHBondContact O-CB 3.38Å; K394-H398 PolarHBondContact O-N 3.44Å
395A91.7Very high88.2Confident55 Ų5560.5 Ų60.546%0.45532%0.319SS..Hα-helixtrans-61-43.6175.200000112E391 T393 H398 E399E391-A395 WeakPolarHBondContact O-CB 3.48Å; E391-A395 PolarHBondContact O-N 2.82Å; T393-A395 PolarHBondContact O-N 3.23Å; A395-H398 PolarHBondContact O-N 3.41Å; A395-E399 WeakPolarHBondContact O-CB 3.45Å; A395-E399 PolarHBondContact O-N 3.45Å
396L90.6Very high86.6Confident48 Ų4864.2 Ų64.225%0.25134%0.338SS..Hα-helixtrans-65.8-44.2178.9-17170.1000112.4I358 L386 S392 T393 H398 E399 Y400I358-L396 HydrophobicContact CD1-CD2 4.29Å; I358-L396 HydrophobicContact CD1-CG 4.24Å; L386-L396 HydrophobicContact CD1-CD2 3.74Å; S392-L396 WeakPolarHBondContact O-CB 3.33Å; S392-L396 PolarHBondContact O-N 3.14Å; T393-L396 PolarHBondContact O-N 3.11Å; L396-H398 VanDerWaalsContact C-N 3.35Å; L396-E399 PolarHBondContact O-N 3.06Å; L396-Y400 HydrophobicContact CD1-CD2 3.89Å; L396-Y400 HydrophobicContact CD1-CE2 3.61Å; L396-Y400 HydrophobicContact CG-CD2 4.14Å; L396-Y400 HydrophobicContact CG-CE2 4.22Å; L396-Y400 WeakPolarHBondContact O-CD2 3.3Å; L396-Y400 PolarHBondContact O-N 3.48Å
397V91.9Very high85Confident0 Ų067.9 Ų67.90%036%0.358CS..Hα-helixtrans-60.5-47.1175.1171.70000110.2F294 W295 I305 I358 T393 K394 E399 Y400 F401F294-V397 HydrophobicContact CD1-CG1 4.02Å; F294-V397 HydrophobicContact CE1-CG1 4.01Å; W295-V397 HydrophobicContact CH2-CG2 4.42Å; W295-V397 HydrophobicContact CZ2-CB 3.92Å; W295-V397 HydrophobicContact CZ2-CG1 4.03Å; W295-V397 HydrophobicContact CZ2-CG2 3.9Å; I305-V397 HydrophobicContact CD1-CG2 4.28Å; I305-V397 HydrophobicContact CG2-CG2 4.2Å; I358-V397 HydrophobicContact CD1-CB 4.14Å; I358-V397 HydrophobicContact CD1-CG2 3.4Å; I358-V397 VanDerWaalsContact CD1-CG2 3.4Å; T393-V397 HydrophobicContact CG2-CG2 4.36Å; T393-V397 VanDerWaalsContact O-CG2 3.28Å; T393-V397 WeakPolarHBondContact O-CG2 3.39Å; T393-V397 PolarHBondContact O-N 3.32Å; K394-V397 PolarHBondContact O-N 2.86Å; V397-E399 PolarHBondContact O-N 3.17Å; V397-Y400 PolarHBondContact O-N 2.86Å; V397-F401 HydrophobicContact CG1-CD1 4.26Å; V397-F401 HydrophobicContact CG1-CD2 3.95Å; V397-F401 HydrophobicContact CG1-CE1 4.17Å; V397-F401 HydrophobicContact CG1-CE2 3.81Å; V397-F401 HydrophobicContact CG1-CG 4.18Å; V397-F401 HydrophobicContact CG1-CZ 3.94Å; V397-F401 VanDerWaalsContact O-CB 3.29Å; V397-F401 WeakPolarHBondContact O-CB 3.26Å; V397-F401 WeakPolarHBondContact O-CD1 3.44Å; V397-F401 WeakPolarHBondContact O-CG 3.29Å; V397-F401 PolarHBondContact O-N 3.29Å
398H92.9Very high82.9Confident71 Ų7167.2 Ų67.233%0.32937%0.372SS..Hα-helixtrans-58.3-49.1177.8-172.9-77.1000111.1E288 K394 A395 L396 Y400 F401 T402E288-H398 IonicContact OE1-CE1 3.43Å; E288-H398 PolarHBondContact OE1-CE1 3.25Å; E288-H398 IonicContact OE1-NE2 2.98Å; E288-H398 PolarHBondContact OE1-NE2 3.3Å; E288-H398 IonicContact OE2-CD2 3.76Å; E288-H398 IonicContact OE2-CE1 3.89Å; E288-H398 IonicContact OE2-NE2 2.9Å; E288-H398 PolarHBondContact OE2-NE2 2.93Å; K394-H398 VanDerWaalsContact O-CB 3.32Å; K394-H398 WeakPolarHBondContact O-CB 3.38Å; K394-H398 PolarHBondContact O-N 3.44Å; A395-H398 PolarHBondContact O-N 3.41Å; L396-H398 VanDerWaalsContact C-N 3.35Å; H398-Y400 PolarHBondContact O-N 3.03Å; H398-F401 PolarHBondContact O-N 3.07Å; H398-T402 WeakPolarHBondContact O-CB 3.34Å; H398-T402 WeakPolarHBondContact O-CG2 3.29Å; H398-T402 PolarHBondContact O-N 2.95Å; H398-T402 PolarHBondContact O-OG1 3.46Å
399E90.6Very high81.1Confident91 Ų9171.9 Ų71.943%0.42539%0.392SS..Hα-helixtrans-57.2-48.2178.3-170.2-158.614800112R345 A395 L396 V397 Y403R345-E399 IonicContact CZ-OE1 2.64Å; R345-E399 IonicContact NH1-OE1 2.63Å; R345-E399 PolarHBondContact NH1-OE1 2.88Å; A395-E399 WeakPolarHBondContact O-CB 3.45Å; A395-E399 PolarHBondContact O-N 3.45Å; L396-E399 PolarHBondContact O-N 3.06Å; V397-E399 PolarHBondContact O-N 3.17Å; E399-Y403 WeakPolarHBondContact O-CB 3.43Å; E399-Y403 PolarHBondContact O-N 3.47Å; E399-Y403 VanDerWaalsContact O-N 3.15Å
400Y91.1Very high79.3Confident12 Ų1275.8 Ų75.85%0.04740%0.399CS..Hα-helixtrans-70.7-34.4-177.7-89.9-103.2000112.9I343 R345 K356 I358 L396 V397 H398I343-Y400 HydrophobicContact CB-CD1 4.09Å; I343-Y400 WeakPolarHBondContact CD1-O 3.27Å; I343-Y400 HydrophobicContact CG2-CD1 3.9Å; R345-Y400 HydrophobicContact CB-CE1 4.22Å; R345-Y400 HydrophobicContact CG-CD1 4.26Å; R345-Y400 HydrophobicContact CG-CE1 3.92Å; K356-Y400 WeakPolarHBondContact CB-OH 3.49Å; K356-Y400 PolarHBondContact O-OH 2.9Å; I358-Y400 HydrophobicContact CB-CD1 4.17Å; I358-Y400 HydrophobicContact CB-CG 4.14Å; I358-Y400 HydrophobicContact CG2-CD1 3.67Å; I358-Y400 HydrophobicContact CG2-CD2 4.47Å; I358-Y400 HydrophobicContact CG2-CE1 4.5Å; I358-Y400 HydrophobicContact CG2-CG 3.63Å; L396-Y400 HydrophobicContact CD1-CD2 3.89Å; L396-Y400 HydrophobicContact CD1-CE2 3.61Å; L396-Y400 HydrophobicContact CG-CD2 4.14Å; L396-Y400 HydrophobicContact CG-CE2 4.22Å; L396-Y400 WeakPolarHBondContact O-CD2 3.3Å; L396-Y400 PolarHBondContact O-N 3.48Å; V397-Y400 PolarHBondContact O-N 2.86Å; H398-Y400 PolarHBondContact O-N 3.03Å
401F91.3Very high78.1Confident2 Ų275.5 Ų75.51%0.00939%0.393CS..Hα-helixtrans-79.3-31.4-176.9-77.721.3000112.1F278 F282 K287 V291 F294 F341 I343 I358 V397 H398F278-F401 HydrophobicContact CE1-CE2 4.33Å; F278-F401 HydrophobicContact CE1-CZ 4.33Å; F278-F401 AromaticContact CE2-CE2 3.93Å; F278-F401 HydrophobicContact CE2-CE2 3.93Å; F278-F401 HydrophobicContact CZ-CD2 4.11Å; F278-F401 AromaticContact CZ-CE2 3.36Å; F278-F401 HydrophobicContact CZ-CE2 3.36Å; F278-F401 AromaticContact CZ-CZ 3.76Å; F278-F401 HydrophobicContact CZ-CZ 3.76Å; F282-F401 HydrophobicContact CD2-CD2 4.45Å; F282-F401 HydrophobicContact CE2-CB 3.95Å; F282-F401 HydrophobicContact CE2-CD1 4.4Å; F282-F401 HydrophobicContact CE2-CD2 4.32Å; F282-F401 AromaticContact CE2-CG 3.97Å; F282-F401 HydrophobicContact CE2-CG 3.97Å; K287-F401 WeakPolarHBondContact CD-O 3.47Å; V291-F401 HydrophobicContact CG2-CB 3.58Å; V291-F401 HydrophobicContact CG2-CD2 3.95Å; V291-F401 HydrophobicContact CG2-CG 4.25Å; F294-F401 HydrophobicContact CB-CE2 4.07Å; F294-F401 HydrophobicContact CD1-CE2 4.16Å; F294-F401 HydrophobicContact CD2-CE2 4.13Å; F294-F401 HydrophobicContact CD2-CZ 4.5Å; F294-F401 AromaticContact CG-CE2 3.84Å; F294-F401 HydrophobicContact CG-CE2 3.84Å; F341-F401 HydrophobicContact CD1-CE1 4.34Å; F341-F401 HydrophobicContact CD1-CZ 4.28Å; F341-F401 HydrophobicContact CE1-CD1 4.46Å; F341-F401 AromaticContact CE1-CE1 3.78Å; F341-F401 HydrophobicContact CE1-CE1 3.78Å; F341-F401 AromaticContact CE1-CZ 3.97Å; F341-F401 HydrophobicContact CE1-CZ 3.97Å; I343-F401 HydrophobicContact CD1-CD1 3.64Å; I343-F401 HydrophobicContact CD1-CE1 4.04Å; I358-F401 HydrophobicContact CG2-CE1 4.29Å; V397-F401 HydrophobicContact CG1-CD1 4.26Å; V397-F401 HydrophobicContact CG1-CD2 3.95Å; V397-F401 HydrophobicContact CG1-CE1 4.17Å; V397-F401 HydrophobicContact CG1-CE2 3.81Å; V397-F401 HydrophobicContact CG1-CG 4.18Å; V397-F401 HydrophobicContact CG1-CZ 3.94Å; V397-F401 VanDerWaalsContact O-CB 3.29Å; V397-F401 WeakPolarHBondContact O-CB 3.26Å; V397-F401 WeakPolarHBondContact O-CD1 3.44Å; V397-F401 WeakPolarHBondContact O-CG 3.29Å; V397-F401 PolarHBondContact O-N 3.29Å; H398-F401 PolarHBondContact O-N 3.07Å
402T88.9Confident77.3Confident30 Ų3072.3 Ų72.318%0.18438%0.378CS..Hα-helixtrans-93.6-8.3-178.662.10000114.2K287 V291 H398 K404K287-T402 HydrophobicContact CB-CG2 3.98Å; V291-T402 HydrophobicContact CG2-CG2 4.11Å; H398-T402 WeakPolarHBondContact O-CB 3.34Å; H398-T402 WeakPolarHBondContact O-CG2 3.29Å; H398-T402 PolarHBondContact O-N 2.95Å; H398-T402 PolarHBondContact O-OG1 3.46Å; T402-K404 PolarHBondContact O-N 2.9Å
403Y82.6Confident77Confident28 Ų2869.9 Ų69.911%0.1136%0.361CS..  trans-52127.8-179.2178-109.6000113.3R345 E399 D407 N411 C413R345-Y403 VanDerWaalsContact CZ-CD2 3.44Å; E399-Y403 WeakPolarHBondContact O-CB 3.43Å; E399-Y403 PolarHBondContact O-N 3.47Å; E399-Y403 VanDerWaalsContact O-N 3.15Å; Y403-D407 HydrophobicContact CE2-CB 4.44Å; Y403-N411 PolarHBondContact OH-O 2.86Å; Y403-C413 HydrophobicContact CD1-CB 3.7Å; Y403-C413 HydrophobicContact CE1-CB 3.62Å
404K72.1Confident77Confident113 Ų11372.1 Ų72.149%0.49137%0.37SS..  trans-110.6131.8172.2-68.7178.4-176.7175.20109.6T402 E406 D407T402-K404 PolarHBondContact O-N 2.9Å; K404-E406 PolarHBondContact O-N 2.72Å; K404-D407 PolarHBondContact N-OD2 3.26Å; K404-D407 WeakPolarHBondContact O-CB 3.35Å; K404-D407 PolarHBondContact O-N 3.39Å; K404-D407 VanDerWaalsContact O-N 3.11Å
405P62.9Low76.9Confident98 Ų9871.8 Ų71.864%0.63637%0.371SS*.THydrogen-bonded Turntrans-57.6-19.4176.8-24.133.2000114.2D407P405-D407 PolarHBondContact O-N 3.05Å
406E58.3Low76.9Confident180 Ų18069.6 Ų69.684%0.84135%0.352SS*.THydrogen-bonded Turntrans-75.3-6.2-179.8-60.4-177.4-176.500113.4K404 G408K404-E406 PolarHBondContact O-N 2.72Å; E406-G408 PolarHBondContact O-N 3.4Å
407D57.8Low76.6Confident104 Ų10473.9 Ų73.956%0.55637%0.368SS*.SBendtrans-72.827.2-177.8-65.2-31.1000114.6Y403 K404 P405 K409Y403-D407 HydrophobicContact CE2-CB 4.44Å; K404-D407 PolarHBondContact N-OD2 3.26Å; K404-D407 WeakPolarHBondContact O-CB 3.35Å; K404-D407 PolarHBondContact O-N 3.39Å; K404-D407 VanDerWaalsContact O-N 3.11Å; P405-D407 PolarHBondContact O-N 3.05Å; D407-K409 VanDerWaalsContact C-N 3.32Å; D407-K409 PolarHBondContact O-N 3Å; D407-K409 VanDerWaalsContact O-N 3.12Å
408G45.9Very low75.9Confident75 Ų7577.6 Ų77.677%0.77339%0.387SS*.SBendtrans76.71.8155.600000117.6E406E406-G408 PolarHBondContact O-N 3.4Å
409K50.2Low75Confident155 Ų15577.9 Ų77.967%0.67439%0.39SS*.SBendtrans-115137.8170.5-65.9-179.9-177.9176.50107.9D407 N411D407-K409 VanDerWaalsContact C-N 3.32Å; D407-K409 PolarHBondContact O-N 3Å; D407-K409 VanDerWaalsContact O-N 3.12Å; K409-N411 PolarHBondContact O-N 3.14Å
410R52.1Low74.1Confident191 Ų19177.2 Ų77.272%0.72139%0.388SS*.  trans-62.724.6-174.5-63.6178.9173.6174.4-2.2115M319M319-R410 HydrophobicContact CE-CB 3.92Å; M319-R410 HydrophobicContact SD-CB 4.18Å
411N67.1Low73.1Confident21 Ų2181.1 Ų81.111%0.11241%0.408CS..  trans-82.9117.7-173.7-67.9-6.4000109.9I346 G348 Y403 K409I346-N411 VanDerWaalsContact O-CA 3.3Å; I346-N411 WeakPolarHBondContact O-CA 3.16Å; I346-N411 WeakPolarHBondContact O-CB 3.46Å; I346-N411 PolarHBondContact O-OD1 2.99Å; G348-N411 PolarHBondContact N-OD1 3.12Å; Y403-N411 PolarHBondContact OH-O 2.86Å; K409-N411 PolarHBondContact O-N 3.14Å
412Q74.5Confident72Confident70 Ų7086 Ų8633%0.32743%0.433SS..  trans-81.9144.8174.6-58.8-175.15.200110.6R345 I346R345-Q412 WeakPolarHBondContact CA-O 3.34Å; I346-Q412 HydrophobicContact CD1-CB 4.1Å; I346-Q412 PolarHBondContact N-O 2.64Å
413C84Confident70.8Confident38 Ų3889.7 Ų89.726%0.25745%0.45SS..EExtended strand (participates in β ladder)trans-119.2135.3173.6-179.70000109.3I343 M344 R345 Y403I343-C413 WeakPolarHBondContact CG2-SG 3.47Å; M344-C413 WeakPolarHBondContact O-CA 3.37Å; R345-C413 HydrophobicContact CG-CB 4.16Å; Y403-C413 HydrophobicContact CD1-CB 3.7Å; Y403-C413 HydrophobicContact CE1-CB 3.62Å
414K88.2Confident70Confident51 Ų5194.1 Ų94.122%0.22247%0.474CS..EExtended strand (participates in β ladder)trans-126.7130.8178.4-62.5-70-175.4173.90108.5I326 E327 F330 M344I326-K414 HydrophobicContact CB-CG 4.47Å; I326-K414 HydrophobicContact CG2-CB 3.77Å; I326-K414 HydrophobicContact CG2-CG 4.03Å; E327-K414 HydrophobicContact CG-CD 4.45Å; E327-K414 IonicContact OE1-NZ 3.94Å; E327-K414 PolarHBondContact OE1-NZ 3.16Å; F330-K414 HydrophobicContact CE2-CB 3.72Å; F330-K414 HydrophobicContact CZ-CB 4.04Å; M344-K414 PolarHBondContact N-O 2.94Å; M344-K414 PolarHBondContact O-N 2.89Å
415I90.3Very high69.8Low74 Ų7492.7 Ų92.738%0.37947%0.473SS..EExtended strand (participates in β ladder)trans-109.6128-176.5-61.7157.1000109F282 F330 F341 G342 I343 K417F282-I415 HydrophobicContact CE1-CD1 3.97Å; F282-I415 HydrophobicContact CE1-CG2 4.47Å; F330-I415 WeakPolarHBondContact CE2-O 3.35Å; F341-I415 HydrophobicContact CE2-CG2 3.68Å; F341-I415 HydrophobicContact CZ-CG2 4Å; G342-I415 CarbonylContact O-C 3.48Å; G342-I415 WeakPolarHBondContact O-CA 3.17Å; I343-I415 HydrophobicContact CG1-CG1 4.38Å; I415-K417 HydrophobicContact CG2-CB 4.49Å
416F91.1Very high70.4Confident9 Ų992.3 Ų92.34%0.03946%0.459CS..EExtended strand (participates in β ladder)trans-96.8118.9171.2-177.9-94.5000109.2F330 A333 M336 A340 F341 G342 W359F330-F416 HydrophobicContact CB-CD2 3.84Å; F330-F416 HydrophobicContact CB-CE2 4.38Å; F330-F416 HydrophobicContact CD1-CB 4.02Å; F330-F416 AromaticContact CD1-CD2 3.8Å; F330-F416 HydrophobicContact CD1-CD2 3.8Å; F330-F416 HydrophobicContact CD1-CG 4.3Å; F330-F416 HydrophobicContact CD2-CB 4.14Å; F330-F416 HydrophobicContact CD2-CD2 4.22Å; F330-F416 HydrophobicContact CE1-CB 3.76Å; F330-F416 HydrophobicContact CE1-CD2 4.4Å; F330-F416 HydrophobicContact CE1-CG 4.46Å; F330-F416 HydrophobicContact CE2-CB 3.89Å; F330-F416 HydrophobicContact CG-CB 4.21Å; F330-F416 AromaticContact CG-CD2 3.7Å; F330-F416 HydrophobicContact CG-CD2 3.7Å; F330-F416 HydrophobicContact CG-CG 4.44Å; F330-F416 HydrophobicContact CZ-CB 3.69Å; F330-F416 WeakPolarHBondContact O-CE2 3.45Å; A333-F416 HydrophobicContact CB-CE2 3.78Å; A333-F416 HydrophobicContact CB-CZ 3.98Å; A333-F416 VanDerWaalsContact O-CZ 3.24Å; A333-F416 WeakPolarHBondContact O-CZ 3.12Å; M336-F416 HydrophobicContact CG-CE1 4.25Å; M336-F416 HydrophobicContact CG-CZ 4.09Å; A340-F416 HydrophobicContact CB-CE1 4.2Å; F341-F416 WeakPolarHBondContact CA-O 3.31Å; F341-F416 WeakPolarHBondContact CD2-O 3.33Å; G342-F416 PolarHBondContact N-O 3.35Å; G342-F416 PolarHBondContact O-N 3.41Å; W359-F416 HydrophobicContact CE3-CD1 4.39Å; W359-F416 HydrophobicContact CH2-CB 3.65Å; W359-F416 AromaticContact CH2-CD1 3.91Å; W359-F416 HydrophobicContact CH2-CD1 3.91Å; W359-F416 HydrophobicContact CH2-CD2 4.16Å; W359-F416 AromaticContact CH2-CG 3.63Å; W359-F416 HydrophobicContact CH2-CG 3.63Å; W359-F416 HydrophobicContact CZ2-CB 4.47Å; W359-F416 HydrophobicContact CZ3-CB 3.9Å; W359-F416 AromaticContact CZ3-CD1 3.39Å; W359-F416 HydrophobicContact CZ3-CD1 3.39Å; W359-F416 HydrophobicContact CZ3-CD2 4.42Å; W359-F416 AromaticContact CZ3-CE1 3.98Å; W359-F416 HydrophobicContact CZ3-CE1 3.98Å; W359-F416 AromaticContact CZ3-CG 3.64Å; W359-F416 HydrophobicContact CZ3-CG 3.64Å
417K85.6Confident71.5Confident139 Ų13984.3 Ų84.360%0.60442%0.424SS*.  trans-147.10-179.365179.3-176.5-179.40111.6K279 S283 F341 I415K279-K417 HydrophobicContact CD-CB 4.07Å; K279-K417 WeakPolarHBondContact CD-OXT 3.48Å; K279-K417 VanDerWaalsContact CE-OXT 3.32Å; K279-K417 WeakPolarHBondContact CE-OXT 3.48Å; K279-K417 HydrophobicContact CG-CB 4.26Å; K279-K417 PolarHBondContact NZ-OXT 3.34Å; S283-K417 PolarHBondContact OG-NZ 3.16Å; S283-K417 VanDerWaalsContact OG-NZ 3.12Å; F341-K417 HydrophobicContact CD2-CB 4.23Å; F341-K417 HydrophobicContact CE2-CB 4.44Å; I415-K417 HydrophobicContact CG2-CB 4.49Å

Retrieved 417 of 417 residues in 97.1 ms (Link to these results)

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