A0A5K4F3M8_SCHMA Loading...

XPG_I_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3M8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 707 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
1M69.9Low88.3Confident105 Ų10555.7 Ų55.752%0.51727%0.267SS..  0166.80-62.2-138.6-57.600106.9D166 S167M1-D166 HydrophobicContact CB-CB 4.41Å; M1-D166 WeakPolarHBondContact CB-OD2 3.48Å; M1-S167 PolarHBondContact O-N 2.85Å; M1-S167 PolarHBondContact O-OG 3.35Å
2G83.9Confident88.5Confident8 Ų854.7 Ų54.78%0.08227%0.27CS..  trans75.5-149.5-17500000114.5R4 D166 D168G2-R4 PolarHBondContact O-N 3.3Å; G2-D166 WeakPolarHBondContact CA-OD1 3.42Å; G2-D166 PolarHBondContact N-OD1 2.92Å; G2-D166 PolarHBondContact N-OD2 3.43Å; G2-D166 VanDerWaalsContact N-OD2 3.17Å; G2-D168 WeakPolarHBondContact CA-OD1 3.48Å
3I88.3Confident88.7Confident1 Ų154.8 Ų54.81%0.00527%0.273CS..SBendtrans-61.9107.7-174.5-58.3144.4000112.7G5 L6 S167 D168 I171 A221 V224 N226I3-G5 PolarHBondContact O-N 3.33Å; I3-G5 VanDerWaalsContact O-N 3.14Å; I3-L6 HydrophobicContact CB-CB 3.98Å; I3-L6 HydrophobicContact CB-CD2 3.98Å; I3-L6 HydrophobicContact CD1-CD2 3.67Å; I3-L6 HydrophobicContact CG1-CD2 4.47Å; I3-L6 HydrophobicContact CG2-CB 3.86Å; I3-L6 HydrophobicContact CG2-CD2 4.18Å; I3-L6 WeakPolarHBondContact O-CB 3.09Å; I3-L6 PolarHBondContact O-N 3.11Å; I3-L6 VanDerWaalsContact O-N 3.13Å; I3-S167 PolarHBondContact N-OG 3.33Å; I3-S167 VanDerWaalsContact N-OG 3.14Å; I3-S167 PolarHBondContact O-OG 2.88Å; I3-D168 WeakPolarHBondContact CD1-OD1 3.43Å; I3-D168 VanDerWaalsContact CG1-OD1 3.24Å; I3-D168 WeakPolarHBondContact CG1-OD1 3.46Å; I3-D168 PolarHBondContact N-OD1 3Å; I3-I171 HydrophobicContact CD1-CD1 3.81Å; I3-I171 HydrophobicContact CD1-CG1 3.39Å; I3-A221 HydrophobicContact CD1-CB 3.49Å; I3-A221 VanDerWaalsContact CD1-CB 3.49Å; I3-A221 HydrophobicContact CG1-CB 4.08Å; I3-V224 HydrophobicContact CG2-CB 3.88Å; I3-V224 HydrophobicContact CG2-CG1 3.39Å; I3-N226 HydrophobicContact CG1-CB 3.92Å
4R83.8Confident88.9Confident156 Ų15657.5 Ų57.559%0.58930%0.299SS*.THydrogen-bonded Turntrans-60.3119.4-172.7-172175.4-178.41750.5112.4G2 L6 Y253G2-R4 PolarHBondContact O-N 3.3Å; R4-L6 VanDerWaalsContact C-N 3.34Å; R4-Y253 PolarHBondContact NH1-OH 2.97Å
5G87.9Confident89.3Confident25 Ų2560 Ų6026%0.25831%0.313SS..THydrogen-bonded Turntrans87.5-3.5175.500000114.8I3 T8 Y9I3-G5 PolarHBondContact O-N 3.33Å; I3-G5 VanDerWaalsContact O-N 3.14Å; G5-T8 PolarHBondContact O-N 3.01Å; G5-Y9 PolarHBondContact O-N 3.3Å
6L93.4Very high89.7Confident0 Ų056.6 Ų56.60%030%0.295CS..Hα-helixtrans-63.8-45.1-178.4179.757.9000112.5I3 R4 T8 Y9 I10 F170 I171 F209 F220I3-L6 HydrophobicContact CB-CB 3.98Å; I3-L6 HydrophobicContact CB-CD2 3.98Å; I3-L6 HydrophobicContact CD1-CD2 3.67Å; I3-L6 HydrophobicContact CG1-CD2 4.47Å; I3-L6 HydrophobicContact CG2-CB 3.86Å; I3-L6 HydrophobicContact CG2-CD2 4.18Å; I3-L6 WeakPolarHBondContact O-CB 3.09Å; I3-L6 PolarHBondContact O-N 3.11Å; I3-L6 VanDerWaalsContact O-N 3.13Å; R4-L6 VanDerWaalsContact C-N 3.34Å; L6-T8 VanDerWaalsContact C-N 3.35Å; L6-T8 PolarHBondContact O-N 3.32Å; L6-Y9 HydrophobicContact CD1-CD1 4.31Å; L6-Y9 WeakPolarHBondContact O-CB 3.47Å; L6-Y9 PolarHBondContact O-N 3.47Å; L6-Y9 VanDerWaalsContact O-N 3.11Å; L6-I10 HydrophobicContact CD1-CD1 3.99Å; L6-I10 HydrophobicContact CD1-CG1 4.04Å; L6-I10 HydrophobicContact CG-CD1 3.9Å; L6-I10 HydrophobicContact CG-CG1 4.38Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.16Å; L6-F170 HydrophobicContact CD2-CB 4.4Å; L6-I171 HydrophobicContact CD2-CD1 3.98Å; L6-F209 HydrophobicContact CD1-CE2 3.86Å; L6-F209 HydrophobicContact CD1-CZ 3.82Å; L6-F209 HydrophobicContact CD2-CZ 4.42Å; L6-F220 HydrophobicContact CD1-CE1 3.88Å; L6-F220 HydrophobicContact CD1-CZ 3.91Å; L6-F220 HydrophobicContact CD2-CE1 4.43Å
7W92.6Very high90Very high110 Ų11055.2 Ų55.242%0.41729%0.288SS..Hα-helixtrans-54-50.6175.8168.6-109000112Y9 I10 Q11 L17 F170W7-Y9 VanDerWaalsContact C-N 3.27Å; W7-Y9 PolarHBondContact O-N 3.46Å; W7-I10 PolarHBondContact O-N 2.99Å; W7-Q11 WeakPolarHBondContact O-CB 3.22Å; W7-Q11 PolarHBondContact O-N 3.5Å; W7-L17 HydrophobicContact CH2-CD1 4.27Å; W7-L17 HydrophobicContact CZ3-CD1 4.43Å; W7-F170 AromaticContact CE3-CE2 3.69Å; W7-F170 HydrophobicContact CE3-CE2 3.69Å; W7-F170 AromaticContact CE3-CZ 3.55Å; W7-F170 HydrophobicContact CE3-CZ 3.55Å; W7-F170 HydrophobicContact CZ3-CE2 4.28Å; W7-F170 AromaticContact CZ3-CZ 3.65Å; W7-F170 HydrophobicContact CZ3-CZ 3.65Å
8T92Very high90.1Very high78 Ų7853.7 Ų53.748%0.47928%0.283SS..Hα-helixtrans-63-36179.2-41.90000111.5G5 L6 S12 Q254G5-T8 PolarHBondContact O-N 3.01Å; L6-T8 VanDerWaalsContact C-N 3.35Å; L6-T8 PolarHBondContact O-N 3.32Å; T8-S12 WeakPolarHBondContact O-CB 3.43Å; T8-S12 PolarHBondContact O-N 2.91Å; T8-S12 VanDerWaalsContact O-N 3.14Å; T8-Q254 VanDerWaalsContact C-NE2 3.29Å; T8-Q254 PolarHBondContact O-NE2 3.45Å
9Y93.2Very high90.3Very high21 Ų2163 Ų638%0.08231%0.314CS..Hα-helixtrans-65-49.3174.9175.4-101.3000111.8G5 L6 W7 Q11 S12 F209 L247 I257 D258G5-Y9 PolarHBondContact O-N 3.3Å; L6-Y9 HydrophobicContact CD1-CD1 4.31Å; L6-Y9 WeakPolarHBondContact O-CB 3.47Å; L6-Y9 PolarHBondContact O-N 3.47Å; L6-Y9 VanDerWaalsContact O-N 3.11Å; W7-Y9 VanDerWaalsContact C-N 3.27Å; W7-Y9 PolarHBondContact O-N 3.46Å; Y9-Q11 PolarHBondContact O-N 3.49Å; Y9-S12 WeakPolarHBondContact O-CB 3.43Å; Y9-S12 PolarHBondContact O-N 3.02Å; Y9-S12 VanDerWaalsContact O-N 3.13Å; Y9-S12 PolarHBondContact O-OG 3.08Å; Y9-F209 HydrophobicContact CE1-CD2 4.15Å; Y9-L247 HydrophobicContact CE2-CD1 4.24Å; Y9-I257 HydrophobicContact CD1-CG2 3.45Å; Y9-I257 VanDerWaalsContact CD1-CG2 3.45Å; Y9-I257 HydrophobicContact CD2-CB 4.23Å; Y9-I257 HydrophobicContact CD2-CG2 3.77Å; Y9-I257 HydrophobicContact CE1-CG2 3.76Å; Y9-I257 HydrophobicContact CE2-CG2 4.07Å; Y9-I257 HydrophobicContact CG-CB 4.22Å; Y9-I257 HydrophobicContact CG-CG2 3.44Å; Y9-I257 VanDerWaalsContact CG-CG2 3.44Å; Y9-D258 HydrophobicContact CE2-CB 3.75Å; Y9-D258 PolarHBondContact OH-OD1 3.05Å
10I93.8Very high90.4Very high0 Ų061 Ų610%030%0.302CS..Hα-helixtrans-57.5-49.3177.2-70.4172.9000110.4L6 W7 S12 N13 N16 L17 F170 L203 F209L6-I10 HydrophobicContact CD1-CD1 3.99Å; L6-I10 HydrophobicContact CD1-CG1 4.04Å; L6-I10 HydrophobicContact CG-CD1 3.9Å; L6-I10 HydrophobicContact CG-CG1 4.38Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 3.16Å; W7-I10 PolarHBondContact O-N 2.99Å; I10-S12 PolarHBondContact O-N 3.49Å; I10-N13 PolarHBondContact O-N 3.14Å; I10-N13 VanDerWaalsContact O-O 3.07Å; I10-N16 HydrophobicContact CG2-CB 3.88Å; I10-N16 PolarHBondContact O-ND2 3.49Å; I10-L17 HydrophobicContact CG2-CD2 4.02Å; I10-L17 HydrophobicContact CG2-CG 4.23Å; I10-F170 HydrophobicContact CD1-CB 3.74Å; I10-F170 HydrophobicContact CD1-CD1 3.8Å; I10-F170 HydrophobicContact CD1-CD2 3.46Å; I10-F170 VanDerWaalsContact CD1-CD2 3.46Å; I10-F170 HydrophobicContact CD1-CE1 4.28Å; I10-F170 HydrophobicContact CD1-CE2 4Å; I10-F170 HydrophobicContact CD1-CG 3.37Å; I10-F170 HydrophobicContact CD1-CZ 4.39Å; I10-L203 HydrophobicContact CG2-CD1 4.34Å; I10-F209 HydrophobicContact CD1-CD1 3.86Å; I10-F209 HydrophobicContact CD1-CE1 3.65Å; I10-F209 HydrophobicContact CD1-CG 4.47Å; I10-F209 HydrophobicContact CD1-CZ 4.13Å; I10-F209 HydrophobicContact CG1-CD1 3.98Å; I10-F209 HydrophobicContact CG1-CD2 4.38Å; I10-F209 HydrophobicContact CG1-CE1 4.15Å; I10-F209 HydrophobicContact CG1-CG 4.11Å; I10-F209 HydrophobicContact CG1-CZ 4.45Å
11Q92.3Very high90.6Very high109 Ų10961 Ų6151%0.50930%0.302SS..Hα-helixtrans-65.7-21-179-166.8-176.6-3.400113.2W7 Y9 N13W7-Q11 WeakPolarHBondContact O-CB 3.22Å; W7-Q11 PolarHBondContact O-N 3.5Å; Y9-Q11 PolarHBondContact O-N 3.49Å; Q11-N13 PolarHBondContact O-N 3.29Å
12S91Very high91.7Very high43 Ų4356.5 Ų56.530%0.30128%0.28SS..THydrogen-bonded Turntrans-67-19.5-179.176.50000113.8T8 Y9 I10T8-S12 WeakPolarHBondContact O-CB 3.43Å; T8-S12 PolarHBondContact O-N 2.91Å; T8-S12 VanDerWaalsContact O-N 3.14Å; Y9-S12 WeakPolarHBondContact O-CB 3.43Å; Y9-S12 PolarHBondContact O-N 3.02Å; Y9-S12 VanDerWaalsContact O-N 3.13Å; Y9-S12 PolarHBondContact O-OG 3.08Å; I10-S12 PolarHBondContact O-N 3.49Å
13N91Very high92.2Very high57 Ų5756.3 Ų56.331%0.30528%0.277SS..SBendtrans-119.9114.1170.7-176-28.6000109.1I10 Q11 D15 N16I10-N13 PolarHBondContact O-N 3.14Å; I10-N13 VanDerWaalsContact O-O 3.07Å; Q11-N13 PolarHBondContact O-N 3.29Å; N13-D15 PolarHBondContact O-N 3.24Å; N13-D15 WeakPolarHBondContact OD1-CB 3.26Å; N13-D15 PolarHBondContact OD1-N 2.92Å; N13-N16 WeakPolarHBondContact O-CB 3.41Å; N13-N16 PolarHBondContact O-N 2.89Å; N13-N16 VanDerWaalsContact O-N 3.15Å
14S92.1Very high92.3Very high92 Ų9260 Ų6064%0.64330%0.296SS*.G310 helixtrans-58.9-27.8-177.748.80000113.4N16 L17S14-N16 PolarHBondContact O-N 2.8Å; S14-L17 PolarHBondContact O-N 2.68Å; S14-L17 VanDerWaalsContact O-N 3.07Å
15D95.1Very high92.7Very high95 Ų9552.9 Ų52.951%0.50827%0.27SS..G310 helixtrans-68.9-17.2-177.5-58.2-19.9000112.3N13 L17 N204 G207N13-D15 PolarHBondContact O-N 3.24Å; N13-D15 WeakPolarHBondContact OD1-CB 3.26Å; N13-D15 PolarHBondContact OD1-N 2.92Å; D15-L17 PolarHBondContact O-N 3.43Å; D15-N204 VanDerWaalsContact O-CB 3.31Å; D15-N204 WeakPolarHBondContact O-CB 3.14Å; D15-N204 PolarHBondContact O-ND2 3.44Å; D15-G207 VanDerWaalsContact O-CA 3.24Å; D15-G207 WeakPolarHBondContact O-CA 3.47Å
16N94.9Very high93Very high6 Ų652.7 Ų52.73%0.03226%0.264CS..G310 helixtrans-72.2-16.8173.6-68.4-36.7000113.4I10 N13 S14 L203 N204 P208 F209I10-N16 HydrophobicContact CG2-CB 3.88Å; I10-N16 PolarHBondContact O-ND2 3.49Å; N13-N16 WeakPolarHBondContact O-CB 3.41Å; N13-N16 PolarHBondContact O-N 2.89Å; N13-N16 VanDerWaalsContact O-N 3.15Å; S14-N16 PolarHBondContact O-N 2.8Å; N16-L203 WeakPolarHBondContact O-CD1 3.37Å; N16-N204 WeakPolarHBondContact O-CB 3.28Å; N16-N204 PolarHBondContact O-N 3.34Å; N16-P208 VanDerWaalsContact OD1-CD 3.25Å; N16-P208 WeakPolarHBondContact OD1-CD 3.26Å; N16-F209 VanDerWaalsContact OD1-CB 3.29Å; N16-F209 WeakPolarHBondContact OD1-CB 3.21Å; N16-F209 PolarHBondContact OD1-N 2.88Å
17L94.4Very high93.2Very high33 Ų3353 Ų5317%0.17327%0.266CS..EExtended strand (participates in β ladder)trans-125.8135.1-175.6-62.8175.4000110.3W7 I10 S14 D15 I202W7-L17 HydrophobicContact CH2-CD1 4.27Å; W7-L17 HydrophobicContact CZ3-CD1 4.43Å; I10-L17 HydrophobicContact CG2-CD2 4.02Å; I10-L17 HydrophobicContact CG2-CG 4.23Å; S14-L17 PolarHBondContact O-N 2.68Å; S14-L17 VanDerWaalsContact O-N 3.07Å; D15-L17 PolarHBondContact O-N 3.43Å; L17-I202 CarbonylContact C-O 3.58Å; L17-I202 WeakPolarHBondContact CA-O 3.41Å
18S93.1Very high93.4Very high28 Ų2847.8 Ų47.820%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-110146.7172.9-52.80000109.7T201 I202 N204S18-T201 CarbonylContact O-C 3.55Å; S18-T201 VanDerWaalsContact O-CA 3.25Å; S18-T201 WeakPolarHBondContact O-CA 3.5Å; S18-I202 PolarHBondContact N-O 3.2Å; S18-I202 PolarHBondContact O-N 3.37Å; S18-N204 VanDerWaalsContact OG-CB 3.3Å; S18-N204 WeakPolarHBondContact OG-CB 3.26Å; S18-N204 VanDerWaalsContact OG-CG 3.25Å
19R92.9Very high93.7Very high230 Ų23044.1 Ų44.187%0.86822%0.223SC*.EExtended strand (participates in β ladder)trans-61.1143.9166.3-68.9-176.9-178.2171.21109.4
20Y92.3Very high93.8Very high22 Ų2243.5 Ų43.59%0.08622%0.222CC..EExtended strand (participates in β ladder)trans-141.8136-178.9-170-103.4000110.1L22 Q25 P161 R181 C200 I202Y20-L22 HydrophobicContact CD1-CB 4.34Å; Y20-L22 HydrophobicContact CE1-CB 4.35Å; Y20-L22 HydrophobicContact CE1-CD1 4.01Å; Y20-Q25 PolarHBondContact OH-NE2 2.82Å; Y20-Q25 PolarHBondContact OH-OE1 3.47Å; Y20-P161 HydrophobicContact CE1-CG 3.78Å; Y20-R181 HydrophobicContact CE2-CB 4.49Å; Y20-C200 PolarHBondContact N-O 3.08Å; Y20-C200 PolarHBondContact O-N 3.28Å; Y20-I202 HydrophobicContact CD2-CD1 4.36Å; Y20-I202 HydrophobicContact CD2-CG2 4Å; Y20-I202 HydrophobicContact CE2-CD1 4.42Å; Y20-I202 HydrophobicContact CG-CB 4.25Å; Y20-I202 HydrophobicContact CG-CG2 4.1Å
21E94Very high94Very high61 Ų6143.5 Ų43.529%0.28522%0.222SC..EExtended strand (participates in β ladder)trans-101.596.9177.4-64.7-174.5175.800108.4H23 P184 C185 F197E21-H23 PolarHBondContact O-N 3.05Å; E21-P184 HydrophobicContact CB-CB 4.49Å; E21-P184 WeakPolarHBondContact OE2-CB 3.46Å; E21-C185 PolarHBondContact OE2-N 3.34Å; E21-F197 HydrophobicContact CB-CB 4.09Å; E21-F197 HydrophobicContact CB-CD2 3.78Å; E21-F197 HydrophobicContact CB-CE2 4.41Å; E21-F197 HydrophobicContact CB-CG 3.98Å; E21-F197 HydrophobicContact CG-CD2 3.66Å; E21-F197 HydrophobicContact CG-CE2 3.77Å; E21-F197 HydrophobicContact CG-CG 4.12Å; E21-F197 HydrophobicContact CG-CZ 4.31Å
22L93.8Very high93.9Very high11 Ų1142.1 Ų42.16%0.05822%0.215CC..EExtended strand (participates in β ladder)trans-75108.1-179.9-176.280.4000109.4Y20 Q25 L27 F66 V71 P161 F197 I198Y20-L22 HydrophobicContact CD1-CB 4.34Å; Y20-L22 HydrophobicContact CE1-CB 4.35Å; Y20-L22 HydrophobicContact CE1-CD1 4.01Å; L22-Q25 HydrophobicContact CD1-CG 4.28Å; L22-L27 HydrophobicContact CD1-CD1 4.04Å; L22-L27 HydrophobicContact CD2-CD2 4.01Å; L22-F66 HydrophobicContact CD2-CE1 4.39Å; L22-V71 HydrophobicContact CD2-CG1 4.08Å; L22-V71 HydrophobicContact CD2-CG2 3.97Å; L22-V71 HydrophobicContact CG-CG1 4.32Å; L22-V71 HydrophobicContact CG-CG2 3.72Å; L22-P161 HydrophobicContact CD1-CG 4.38Å; L22-F197 WeakPolarHBondContact O-CA 3.07Å; L22-I198 HydrophobicContact CB-CB 4.17Å; L22-I198 WeakPolarHBondContact CB-O 3.5Å; L22-I198 HydrophobicContact CD2-CB 4.31Å; L22-I198 HydrophobicContact CD2-CD1 4.31Å; L22-I198 PolarHBondContact N-O 3.48Å; L22-I198 PolarHBondContact O-N 3.12Å
23H93.5Very high94Very high5 Ų540.7 Ų40.72%0.02320%0.204CC..  trans-157.1145.9-174.4117.690.4000111E21 Q25 C69 P183 C185 C188 F197E21-H23 PolarHBondContact O-N 3.05Å; H23-Q25 WeakPolarHBondContact O-CG 3.46Å; H23-Q25 PolarHBondContact O-N 2.96Å; H23-C69 WeakPolarHBondContact CA-O 3.32Å; H23-P183 PolarHBondContact CD2-O 3.01Å; H23-P183 PolarHBondContact NE2-O 3.13Å; H23-C185 HydrophobicContact CB-CB 4.16Å; H23-C185 PolarHBondContact CD2-N 3.27Å; H23-C185 VanDerWaalsContact CD2-N 3.32Å; H23-C185 WeakPolarHBondContact NE2-CA 2.92Å; H23-C188 VanDerWaalsContact CE1-SG 3.6Å; H23-F197 HydrophobicContact CB-CB 3.79Å
24N91.5Very high94.2Very high77 Ų7738.9 Ų38.941%0.41219%0.194SC..SBendtrans47.349.5170.5-164.861.7000115.3C69 R70N24-C69 PolarHBondContact N-O 2.67Å; N24-R70 WeakPolarHBondContact CA-O 3.37Å; N24-R70 HydrophobicContact CB-CB 4.42Å; N24-R70 PolarHBondContact N-O 3.36Å
25Q92.1Very high94.3Very high7 Ų734.7 Ų34.73%0.03317%0.165CC..EExtended strand (participates in β ladder)trans-159.4160.1-176.365.6-1804100111.7Y20 L22 H23 R70 V71 E72 P161 F182Y20-Q25 PolarHBondContact OH-NE2 2.82Å; Y20-Q25 PolarHBondContact OH-OE1 3.47Å; L22-Q25 HydrophobicContact CD1-CG 4.28Å; H23-Q25 WeakPolarHBondContact O-CG 3.46Å; H23-Q25 PolarHBondContact O-N 2.96Å; Q25-R70 PolarHBondContact N-O 2.99Å; Q25-V71 CarbonylContact O-C 3.49Å; Q25-V71 VanDerWaalsContact O-CA 3.3Å; Q25-V71 WeakPolarHBondContact O-CA 3.44Å; Q25-E72 PolarHBondContact O-N 3.4Å; Q25-P161 VanDerWaalsContact NE2-CG 3.29Å; Q25-F182 HydrophobicContact CB-CB 4.4Å; Q25-F182 HydrophobicContact CB-CD1 3.69Å; Q25-F182 HydrophobicContact CB-CD2 3.83Å; Q25-F182 HydrophobicContact CB-CE1 3.82Å; Q25-F182 HydrophobicContact CB-CE2 3.95Å; Q25-F182 HydrophobicContact CB-CG 3.71Å; Q25-F182 HydrophobicContact CB-CZ 3.96Å; Q25-F182 HydrophobicContact CG-CD2 4.49Å
26P95.2Very high94Very high21 Ų2131 Ų3114%0.13615%0.148CC..EExtended strand (participates in β ladder)trans-66.1155.9166.724.5-28.8000111.8E72 I74 L158 C160 F182P26-E72 CarbonylContact C-O 3.23Å; P26-E72 VanDerWaalsContact CA-O 3.3Å; P26-E72 WeakPolarHBondContact CA-O 3.24Å; P26-I74 HydrophobicContact CB-CD1 4.08Å; P26-L158 HydrophobicContact CG-CB 4.48Å; P26-C160 HydrophobicContact CB-CB 4.36Å; P26-C160 HydrophobicContact CG-CB 3.85Å; P26-C160 VanDerWaalsContact O-CB 3.23Å; P26-C160 WeakPolarHBondContact O-CB 3.2Å; P26-F182 HydrophobicContact CG-CZ 4.45Å
27L96.3Very high93.9Very high7 Ų735 Ų354%0.03717%0.165CC..EExtended strand (participates in β ladder)trans-138.2120.2172176.374.3000108.8L22 I29 F66 V71 E72 P73 I74 P161 T163L22-L27 HydrophobicContact CD1-CD1 4.04Å; L22-L27 HydrophobicContact CD2-CD2 4.01Å; L27-I29 HydrophobicContact CD2-CD1 3.99Å; L27-I29 HydrophobicContact CD2-CG1 3.91Å; L27-I29 HydrophobicContact CG-CG1 4Å; L27-F66 HydrophobicContact CD2-CE1 3.95Å; L27-F66 HydrophobicContact CD2-CZ 4.13Å; L27-V71 HydrophobicContact CB-CG1 3.66Å; L27-V71 HydrophobicContact CD2-CG1 4.29Å; L27-E72 PolarHBondContact N-O 3.38Å; L27-P73 WeakPolarHBondContact O-CA 3.3Å; L27-I74 PolarHBondContact O-N 3.09Å; L27-P161 HydrophobicContact CD1-CB 4.06Å; L27-P161 WeakPolarHBondContact CD1-O 3.09Å; L27-T163 HydrophobicContact CD1-CG2 4.15Å; L27-T163 HydrophobicContact CD2-CG2 3.77Å; L27-T163 HydrophobicContact CG-CG2 4.07Å
28V97Very high93.9Very high0 Ų033.4 Ų33.40%016%0.156CC..EExtended strand (participates in β ladder)trans-85.9129.8173.8-1720000109.3I76 V151 L154 A155 L158 P161 V162 T163V28-I76 HydrophobicContact CG1-CG1 3.69Å; V28-V151 HydrophobicContact CG1-CB 4.38Å; V28-V151 HydrophobicContact CG1-CG1 3.83Å; V28-V151 HydrophobicContact CG1-CG2 4.5Å; V28-L154 HydrophobicContact CG1-CD2 4.11Å; V28-L154 HydrophobicContact CG2-CB 4.49Å; V28-L154 HydrophobicContact CG2-CD2 3.93Å; V28-L154 HydrophobicContact CG2-CG 3.98Å; V28-A155 HydrophobicContact CB-CB 4.03Å; V28-A155 HydrophobicContact CG2-CB 3.82Å; V28-L158 HydrophobicContact CG2-CD1 4.37Å; V28-P161 PolarHBondContact N-O 3.22Å; V28-P161 VanDerWaalsContact N-O 3.16Å; V28-V162 WeakPolarHBondContact O-CA 3.25Å; V28-T163 PolarHBondContact O-N 2.95Å
29I97.5Very high93.8Very high1 Ų132.1 Ų32.11%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-120.6125.5-173.9-53.7-178.1000109.3L27 A31 F34 F66 P73 I74 F75 I76 T163L27-I29 HydrophobicContact CD2-CD1 3.99Å; L27-I29 HydrophobicContact CD2-CG1 3.91Å; L27-I29 HydrophobicContact CG-CG1 4Å; I29-A31 PolarHBondContact O-N 3.26Å; I29-A31 VanDerWaalsContact O-N 3.14Å; I29-F34 HydrophobicContact CG2-CB 3.78Å; I29-F34 HydrophobicContact CG2-CD2 4.12Å; I29-F34 HydrophobicContact CG2-CG 4.11Å; I29-F66 HydrophobicContact CD1-CE2 4.05Å; I29-F66 HydrophobicContact CD1-CZ 4.19Å; I29-P73 HydrophobicContact CD1-CB 3.62Å; I29-I74 PolarHBondContact N-O 3.21Å; I29-F75 HydrophobicContact CB-CD1 4.01Å; I29-F75 HydrophobicContact CB-CE1 4.13Å; I29-F75 HydrophobicContact CB-CG 4.34Å; I29-F75 HydrophobicContact CD1-CD1 4.45Å; I29-F75 HydrophobicContact CD1-CD2 4.29Å; I29-F75 HydrophobicContact CD1-CE1 3.91Å; I29-F75 HydrophobicContact CD1-CE2 3.74Å; I29-F75 HydrophobicContact CD1-CZ 3.53Å; I29-F75 HydrophobicContact CG2-CD1 3.8Å; I29-F75 HydrophobicContact CG2-CE1 3.65Å; I29-F75 HydrophobicContact CG2-CZ 4.37Å; I29-I76 PolarHBondContact O-N 3.41Å; I29-T163 HydrophobicContact CB-CG2 4.16Å; I29-T163 HydrophobicContact CD1-CG2 4.44Å; I29-T163 HydrophobicContact CG1-CG2 3.69Å; I29-T163 HydrophobicContact CG2-CG2 4.08Å
30D96.2Very high93.6Very high8 Ų827 Ų274%0.04313%0.128CC..EExtended strand (participates in β ladder)trans-68.4104.9163.5170.1-1.2000109E32 N33 F34 T163 S164 F169D30-E32 PolarHBondContact OD1-N 2.97Å; D30-N33 HydrophobicContact CB-CB 4.25Å; D30-N33 VanDerWaalsContact CG-CB 3.47Å; D30-N33 PolarHBondContact OD1-N 3.44Å; D30-N33 WeakPolarHBondContact OD2-CB 3.47Å; D30-F34 WeakPolarHBondContact O-CB 3.27Å; D30-F34 PolarHBondContact O-N 3.09Å; D30-T163 PolarHBondContact N-O 3.02Å; D30-S164 PolarHBondContact OD2-OG 3.43Å; D30-F169 HydrophobicContact CB-CE2 4.19Å; D30-F169 HydrophobicContact CB-CZ 4.35Å
31A97Very high93.6Very high0 Ų034.1 Ų34.10%016%0.155CC..Hα-helixtrans-72.4-35.9-166.200000113.3I29 F34 A35 F75 I76 F77 L129I29-A31 PolarHBondContact O-N 3.26Å; I29-A31 VanDerWaalsContact O-N 3.14Å; A31-F34 PolarHBondContact O-N 2.93Å; A31-A35 WeakPolarHBondContact O-CB 3.3Å; A31-A35 PolarHBondContact O-N 2.69Å; A31-F75 HydrophobicContact CB-CB 4.05Å; A31-F75 HydrophobicContact CB-CD1 3.86Å; A31-F75 HydrophobicContact CB-CG 4.48Å; A31-I76 WeakPolarHBondContact CB-O 3.26Å; A31-I76 PolarHBondContact N-O 2.92Å; A31-F77 HydrophobicContact CB-CD1 3.62Å; A31-F77 HydrophobicContact CB-CD2 3.7Å; A31-F77 HydrophobicContact CB-CE1 3.5Å; A31-F77 VanDerWaalsContact CB-CE1 3.5Å; A31-F77 HydrophobicContact CB-CE2 3.58Å; A31-F77 HydrophobicContact CB-CG 3.73Å; A31-F77 HydrophobicContact CB-CZ 3.49Å; A31-F77 VanDerWaalsContact CB-CZ 3.49Å; A31-L129 HydrophobicContact CB-CD2 4.38Å; A31-L129 WeakPolarHBondContact O-CD2 3.33Å
32E91.2Very high93.5Very high80 Ų8032.7 Ų32.737%0.37415%0.153SC..Hα-helixtrans-68.6-41.3179.8-65.3-160.4155.800110.7D30 A35 A36 F77 R126D30-E32 PolarHBondContact OD1-N 2.97Å; E32-A35 PolarHBondContact O-N 3.41Å; E32-A36 PolarHBondContact O-N 2.87Å; E32-F77 HydrophobicContact CG-CD1 4.36Å; E32-R126 IonicContact OE1-CZ 3.26Å; E32-R126 IonicContact OE1-NE 2.88Å; E32-R126 IonicContact OE1-NH1 3.53Å; E32-R126 PolarHBondContact OE1-NH1 3.21Å
33N92.3Very high93.4Very high13 Ų1335.3 Ų35.37%0.0718%0.177CC..Hα-helixtrans-65.5-43.4175-165.2-71.4000111.9D30 A35 A36 F37 G165 D166D30-N33 HydrophobicContact CB-CB 4.25Å; D30-N33 VanDerWaalsContact CG-CB 3.47Å; D30-N33 PolarHBondContact OD1-N 3.44Å; D30-N33 WeakPolarHBondContact OD2-CB 3.47Å; N33-A35 VanDerWaalsContact C-N 3.33Å; N33-A35 PolarHBondContact O-N 3.32Å; N33-A36 PolarHBondContact O-N 3.39Å; N33-F37 VanDerWaalsContact O-CB 3.31Å; N33-F37 WeakPolarHBondContact O-CB 3.4Å; N33-F37 PolarHBondContact O-N 2.95Å; N33-G165 VanDerWaalsContact CG-N 3.27Å; N33-G165 VanDerWaalsContact ND2-C 3.35Å; N33-G165 VanDerWaalsContact OD1-CA 3.28Å; N33-G165 WeakPolarHBondContact OD1-CA 3.29Å; N33-G165 PolarHBondContact OD1-N 3.37Å; N33-D166 PolarHBondContact ND2-N 3.45Å
34F95.5Very high93.2Very high20 Ų2036.4 Ų36.49%0.08818%0.181CC..Hα-helixtrans-57-44.9175.9176.5-91.1000112.2I29 D30 A31 F37 C38 V59 F62 F75 L129I29-F34 HydrophobicContact CG2-CB 3.78Å; I29-F34 HydrophobicContact CG2-CD2 4.12Å; I29-F34 HydrophobicContact CG2-CG 4.11Å; D30-F34 WeakPolarHBondContact O-CB 3.27Å; D30-F34 PolarHBondContact O-N 3.09Å; A31-F34 PolarHBondContact O-N 2.93Å; F34-F37 PolarHBondContact O-N 3.39Å; F34-C38 VanDerWaalsContact CE1-SG 3.52Å; F34-C38 WeakPolarHBondContact CZ-SG 3.15Å; F34-C38 WeakPolarHBondContact O-CB 3.36Å; F34-C38 PolarHBondContact O-N 3.38Å; F34-C38 PolarHBondContact O-SG 3.33Å; F34-V59 HydrophobicContact CE1-CG1 4.18Å; F34-V59 HydrophobicContact CE1-CG2 4.18Å; F34-F62 HydrophobicContact CZ-CB 4.29Å; F34-F62 HydrophobicContact CZ-CD2 4.49Å; F34-F62 HydrophobicContact CZ-CG 4.37Å; F34-F75 HydrophobicContact CB-CE1 4.31Å; F34-F75 AromaticContact CD1-CE1 3.57Å; F34-F75 HydrophobicContact CD1-CE1 3.57Å; F34-F75 HydrophobicContact CD1-CZ 4.29Å; F34-F75 HydrophobicContact CD2-CE1 4.27Å; F34-F75 AromaticContact CE1-CE1 3.86Å; F34-F75 HydrophobicContact CE1-CE1 3.86Å; F34-F75 HydrophobicContact CE1-CZ 4.12Å; F34-F75 AromaticContact CG-CE1 3.79Å; F34-F75 HydrophobicContact CG-CE1 3.79Å; F34-F75 HydrophobicContact CZ-CE1 4.33Å; F34-F75 HydrophobicContact CZ-CZ 4.26Å; F34-L129 HydrophobicContact CD1-CD1 4.31Å; F34-L129 HydrophobicContact CD1-CD2 4.09Å; F34-L129 HydrophobicContact CE1-CD1 4.18Å
35A93.9Very high93.1Very high4 Ų436.4 Ų36.43%0.03318%0.175CC..Hα-helixtrans-61.4-48.3179.600000111.4A31 E32 N33 C38 Y39 F55 C125 L129A31-A35 WeakPolarHBondContact O-CB 3.3Å; A31-A35 PolarHBondContact O-N 2.69Å; E32-A35 PolarHBondContact O-N 3.41Å; N33-A35 VanDerWaalsContact C-N 3.33Å; N33-A35 PolarHBondContact O-N 3.32Å; A35-C38 PolarHBondContact O-N 2.95Å; A35-Y39 PolarHBondContact O-N 3.48Å; A35-F55 HydrophobicContact CB-CZ 4.3Å; A35-C125 VanDerWaalsContact CB-SG 3.55Å; A35-L129 HydrophobicContact CB-CD2 3.81Å
36A89.9Confident93Very high18 Ų1836.3 Ų36.315%0.14918%0.175CC..Hα-helixtrans-64.7-39.5177.200000112.4E32 N33 Y39 R40E32-A36 PolarHBondContact O-N 2.87Å; N33-A36 PolarHBondContact O-N 3.39Å; A36-Y39 PolarHBondContact O-N 3.19Å; A36-R40 PolarHBondContact O-N 3.42Å; A36-R40 VanDerWaalsContact O-N 3.16Å
37F91.9Very high92.8Very high89 Ų8935.3 Ų35.339%0.3917%0.169SC..Hα-helixtrans-59.6-48.2174.7169.1-98.4000111.4N33 F34 Y39 R40 R41 F62N33-F37 VanDerWaalsContact O-CB 3.31Å; N33-F37 WeakPolarHBondContact O-CB 3.4Å; N33-F37 PolarHBondContact O-N 2.95Å; F34-F37 PolarHBondContact O-N 3.39Å; F37-Y39 VanDerWaalsContact C-N 3.34Å; F37-Y39 PolarHBondContact O-N 2.89Å; F37-R40 PolarHBondContact O-N 3.35Å; F37-R41 HydrophobicContact CE1-CB 4.27Å; F37-R41 HydrophobicContact CE1-CG 4.39Å; F37-R41 HydrophobicContact CE2-CB 4.27Å; F37-R41 HydrophobicContact CE2-CG 4.48Å; F37-R41 HydrophobicContact CZ-CB 4.07Å; F37-R41 HydrophobicContact CZ-CG 3.99Å; F37-R41 VanDerWaalsContact O-CB 3.24Å; F37-R41 WeakPolarHBondContact O-CB 3.45Å; F37-R41 PolarHBondContact O-N 3.14Å; F37-F62 HydrophobicContact CE1-CZ 4.4Å
38C93.9Very high92.6Very high0 Ų035.8 Ų35.80%017%0.17CC..Hα-helixtrans-58.5-46.5-179.5-76.40000111.9F34 A35 R40 R41 A42 F55 Y58F34-C38 VanDerWaalsContact CE1-SG 3.52Å; F34-C38 WeakPolarHBondContact CZ-SG 3.15Å; F34-C38 WeakPolarHBondContact O-CB 3.36Å; F34-C38 PolarHBondContact O-N 3.38Å; F34-C38 PolarHBondContact O-SG 3.33Å; A35-C38 PolarHBondContact O-N 2.95Å; C38-R40 PolarHBondContact O-N 3.3Å; C38-R41 PolarHBondContact O-N 3.11Å; C38-A42 VanDerWaalsContact O-CB 3.3Å; C38-A42 WeakPolarHBondContact O-CB 3.32Å; C38-A42 PolarHBondContact O-N 3.19Å; C38-F55 HydrophobicContact CB-CD2 4.25Å; C38-F55 HydrophobicContact CB-CE2 3.68Å; C38-Y58 HydrophobicContact CB-CD1 3.98Å; C38-Y58 HydrophobicContact CB-CE1 3.99Å
39Y91.4Very high92.4Very high1 Ų135.9 Ų35.90%0.00417%0.171CC..Hα-helixtrans-59.1-48.1177.6-100.4-91.8000112.8A35 A36 F37 A43 F44 Y52 F55 P122 C125A35-Y39 PolarHBondContact O-N 3.48Å; A36-Y39 PolarHBondContact O-N 3.19Å; F37-Y39 VanDerWaalsContact C-N 3.34Å; F37-Y39 PolarHBondContact O-N 2.89Å; Y39-A43 PolarHBondContact O-N 3.1Å; Y39-F44 HydrophobicContact CD1-CB 3.78Å; Y39-F44 AromaticContact CD1-CD2 3.74Å; Y39-F44 HydrophobicContact CD1-CD2 3.74Å; Y39-F44 HydrophobicContact CD1-CG 4.27Å; Y39-F44 HydrophobicContact CD2-CD2 4.47Å; Y39-F44 HydrophobicContact CE1-CB 3.96Å; Y39-F44 AromaticContact CE1-CD2 3.92Å; Y39-F44 HydrophobicContact CE1-CD2 3.92Å; Y39-F44 HydrophobicContact CE1-CG 4.39Å; Y39-F44 HydrophobicContact CG-CD2 4.03Å; Y39-F44 PolarHBondContact O-N 3.41Å; Y39-Y52 WeakPolarHBondContact OH-CD1 3.3Å; Y39-Y52 WeakPolarHBondContact OH-CE1 3.35Å; Y39-F55 HydrophobicContact CD2-CD1 4.47Å; Y39-F55 AromaticContact CD2-CD2 3.64Å; Y39-F55 HydrophobicContact CD2-CD2 3.64Å; Y39-F55 AromaticContact CD2-CE2 3.81Å; Y39-F55 HydrophobicContact CD2-CE2 3.81Å; Y39-F55 HydrophobicContact CD2-CG 4Å; Y39-F55 HydrophobicContact CD2-CZ 4.29Å; Y39-F55 HydrophobicContact CE2-CB 3.75Å; Y39-F55 AromaticContact CE2-CD1 3.57Å; Y39-F55 HydrophobicContact CE2-CD1 3.57Å; Y39-F55 AromaticContact CE2-CD2 3.45Å; Y39-F55 HydrophobicContact CE2-CD2 3.45Å; Y39-F55 VanDerWaalsContact CE2-CD2 3.45Å; Y39-F55 AromaticContact CE2-CE1 3.96Å; Y39-F55 HydrophobicContact CE2-CE1 3.96Å; Y39-F55 AromaticContact CE2-CE2 3.86Å; Y39-F55 HydrophobicContact CE2-CE2 3.86Å; Y39-F55 AromaticContact CE2-CG 3.29Å; Y39-F55 HydrophobicContact CE2-CG 3.29Å; Y39-F55 HydrophobicContact CE2-CZ 4.1Å; Y39-F55 AromaticContact CZ-CG 3.9Å; Y39-P122 HydrophobicContact CD1-CG 4.06Å; Y39-P122 HydrophobicContact CE1-CG 3.59Å; Y39-C125 WeakPolarHBondContact CD2-SG 3.16Å; Y39-C125 HydrophobicContact CE2-CB 4.17Å; Y39-C125 WeakPolarHBondContact CE2-SG 3.42Å
40R89.4Confident92.3Very high121 Ų12135.9 Ų35.946%0.45717%0.171SC..Hα-helixtrans-65.4-45.9178.8-74.2-170.3-63.1-113.5-3.4112A36 F37 C38 A42 A43 D119A36-R40 PolarHBondContact O-N 3.42Å; A36-R40 VanDerWaalsContact O-N 3.16Å; F37-R40 PolarHBondContact O-N 3.35Å; C38-R40 PolarHBondContact O-N 3.3Å; R40-A42 VanDerWaalsContact C-N 3.34Å; R40-A42 PolarHBondContact O-N 3.46Å; R40-A43 PolarHBondContact O-N 2.86Å; R40-A43 VanDerWaalsContact O-N 3.09Å; R40-D119 WeakPolarHBondContact CD-OD2 3.47Å; R40-D119 WeakPolarHBondContact CG-OD1 3.45Å
41R91.8Very high92.3Very high173 Ų17336.2 Ų36.265%0.65317%0.172SC*.Hα-helixtrans-65.9-38-175.1-175.163.2174.3120.6-3.4112F37 C38 A43 Y58F37-R41 HydrophobicContact CE1-CB 4.27Å; F37-R41 HydrophobicContact CE1-CG 4.39Å; F37-R41 HydrophobicContact CE2-CB 4.27Å; F37-R41 HydrophobicContact CE2-CG 4.48Å; F37-R41 HydrophobicContact CZ-CB 4.07Å; F37-R41 HydrophobicContact CZ-CG 3.99Å; F37-R41 VanDerWaalsContact O-CB 3.24Å; F37-R41 WeakPolarHBondContact O-CB 3.45Å; F37-R41 PolarHBondContact O-N 3.14Å; C38-R41 PolarHBondContact O-N 3.11Å; R41-A43 VanDerWaalsContact C-N 3.26Å; R41-Y58 WeakPolarHBondContact CG-OH 3.28Å
42A92Very high92.3Very high30 Ų3036.2 Ų36.225%0.24817%0.172CC..THydrogen-bonded Turntrans-79.9-6.6175.900000113.5C38 R40 F44 Y58C38-A42 VanDerWaalsContact O-CB 3.3Å; C38-A42 WeakPolarHBondContact O-CB 3.32Å; C38-A42 PolarHBondContact O-N 3.19Å; R40-A42 VanDerWaalsContact C-N 3.34Å; R40-A42 PolarHBondContact O-N 3.46Å; A42-F44 VanDerWaalsContact C-N 3.28Å; A42-F44 HydrophobicContact CB-CD1 3.94Å; A42-F44 HydrophobicContact CB-CD2 3.89Å; A42-F44 HydrophobicContact CB-CE1 3.54Å; A42-F44 HydrophobicContact CB-CE2 3.46Å; A42-F44 VanDerWaalsContact CB-CE2 3.46Å; A42-F44 HydrophobicContact CB-CG 4.1Å; A42-F44 HydrophobicContact CB-CZ 3.28Å; A42-F44 PolarHBondContact O-N 3.35Å; A42-Y58 HydrophobicContact CB-CD1 4.08Å; A42-Y58 HydrophobicContact CB-CD2 4.02Å; A42-Y58 HydrophobicContact CB-CE1 3.92Å; A42-Y58 HydrophobicContact CB-CE2 3.9Å; A42-Y58 HydrophobicContact CB-CG 4.12Å
43A90.8Very high92.5Very high67 Ų6732.6 Ų32.655%0.55416%0.156SC*.THydrogen-bonded Turntrans52.243.3-177.100000113.1Y39 R40 R41Y39-A43 PolarHBondContact O-N 3.1Å; R40-A43 PolarHBondContact O-N 2.86Å; R40-A43 VanDerWaalsContact O-N 3.09Å; R41-A43 VanDerWaalsContact C-N 3.26Å
44F90.9Very high92.7Very high27 Ų2732.5 Ų32.512%0.11816%0.157CC..  trans-65.9147.8176.7-62.9-41.9000111.7Y39 A42 C46 A54 F55 Y58Y39-F44 HydrophobicContact CD1-CB 3.78Å; Y39-F44 AromaticContact CD1-CD2 3.74Å; Y39-F44 HydrophobicContact CD1-CD2 3.74Å; Y39-F44 HydrophobicContact CD1-CG 4.27Å; Y39-F44 HydrophobicContact CD2-CD2 4.47Å; Y39-F44 HydrophobicContact CE1-CB 3.96Å; Y39-F44 AromaticContact CE1-CD2 3.92Å; Y39-F44 HydrophobicContact CE1-CD2 3.92Å; Y39-F44 HydrophobicContact CE1-CG 4.39Å; Y39-F44 HydrophobicContact CG-CD2 4.03Å; Y39-F44 PolarHBondContact O-N 3.41Å; A42-F44 VanDerWaalsContact C-N 3.28Å; A42-F44 HydrophobicContact CB-CD1 3.94Å; A42-F44 HydrophobicContact CB-CD2 3.89Å; A42-F44 HydrophobicContact CB-CE1 3.54Å; A42-F44 HydrophobicContact CB-CE2 3.46Å; A42-F44 VanDerWaalsContact CB-CE2 3.46Å; A42-F44 HydrophobicContact CB-CG 4.1Å; A42-F44 HydrophobicContact CB-CZ 3.28Å; A42-F44 PolarHBondContact O-N 3.35Å; F44-C46 PolarHBondContact O-N 2.91Å; F44-C46 PolarHBondContact O-SG 3.5Å; F44-A54 HydrophobicContact CD1-CB 4.15Å; F44-A54 HydrophobicContact CE1-CB 3.72Å; F44-A54 HydrophobicContact CZ-CB 4.15Å; F44-F55 HydrophobicContact CD2-CB 4.42Å; F44-F55 HydrophobicContact CE2-CB 4.03Å; F44-F55 HydrophobicContact CE2-CD2 4.19Å; F44-Y58 HydrophobicContact CE2-CD1 4.46Å; F44-Y58 HydrophobicContact CE2-CG 4.44Å; F44-Y58 HydrophobicContact CZ-CD1 4.47Å; F44-Y58 HydrophobicContact CZ-CG 4.02Å
45R88.9Confident92.7Very high78 Ų7831.6 Ų31.629%0.29415%0.153SC..  trans-75.183.9-176.9-57-69.4-61.5-129.86.4110.9E47 Y48 E51 E114 L116R45-E47 VanDerWaalsContact C-N 3.26Å; R45-E47 VanDerWaalsContact C-OE2 3.3Å; R45-E47 WeakPolarHBondContact CA-OE2 3.35Å; R45-E47 IonicContact CZ-OE1 3.94Å; R45-E47 IonicContact NE-OE1 2.61Å; R45-E47 PolarHBondContact NE-OE1 3.37Å; R45-E47 IonicContact NE-OE2 2.68Å; R45-E47 IonicContact NH2-OE1 3.05Å; R45-E47 PolarHBondContact NH2-OE1 3.33Å; R45-E47 PolarHBondContact O-N 2.88Å; R45-Y48 HydrophobicContact CB-CD2 3.85Å; R45-Y48 HydrophobicContact CB-CE2 4.27Å; R45-E51 HydrophobicContact CB-CG 4.42Å; R45-E114 PolarHBondContact NH1-O 2.89Å; R45-E114 PolarHBondContact NH2-O 3.47Å; R45-E114 VanDerWaalsContact NH2-O 3.15Å; R45-L116 PolarHBondContact NH2-O 3.23Å
46C90.5Very high92.8Very high4 Ų431.6 Ų31.63%0.02715%0.152CC..G310 helixtrans-66.5-26.3-176.8-690000113.4F44 Y48 G49 I118 I120 P122F44-C46 PolarHBondContact O-N 2.91Å; F44-C46 PolarHBondContact O-SG 3.5Å; C46-Y48 PolarHBondContact O-N 3.32Å; C46-Y48 VanDerWaalsContact O-N 3.15Å; C46-G49 PolarHBondContact O-N 3.34Å; C46-I118 VanDerWaalsContact CB-O 3.24Å; C46-I118 WeakPolarHBondContact CB-O 3.31Å; C46-I120 WeakPolarHBondContact CB-O 3.45Å; C46-P122 HydrophobicContact CB-CG 4.45Å
47E90.2Very high93Very high1 Ų132.1 Ų32.11%0.00516%0.159CC..G310 helixtrans-66.6-16.1-175.273-77-18000113.9R45 G49 L116 I118 M402 F587 V592R45-E47 VanDerWaalsContact C-N 3.26Å; R45-E47 VanDerWaalsContact C-OE2 3.3Å; R45-E47 WeakPolarHBondContact CA-OE2 3.35Å; R45-E47 IonicContact CZ-OE1 3.94Å; R45-E47 IonicContact NE-OE1 2.61Å; R45-E47 PolarHBondContact NE-OE1 3.37Å; R45-E47 IonicContact NE-OE2 2.68Å; R45-E47 IonicContact NH2-OE1 3.05Å; R45-E47 PolarHBondContact NH2-OE1 3.33Å; R45-E47 PolarHBondContact O-N 2.88Å; E47-G49 VanDerWaalsContact C-N 3.34Å; E47-L116 HydrophobicContact CB-CD2 4.14Å; E47-L116 VanDerWaalsContact CD-O 3.27Å; E47-L116 HydrophobicContact CG-CD2 4.17Å; E47-I118 HydrophobicContact CB-CB 4.48Å; E47-I118 HydrophobicContact CB-CD1 4.45Å; E47-M402 HydrophobicContact CB-CE 3.99Å; E47-M402 HydrophobicContact CB-SD 4.48Å; E47-F587 HydrophobicContact CG-CE2 4.43Å; E47-F587 WeakPolarHBondContact O-CZ 3.43Å; E47-V592 WeakPolarHBondContact O-CG1 3.34Å
48Y92.6Very high93.2Very high17 Ų1730.6 Ų30.67%0.06715%0.151CC..G310 helixtrans-91.411.9173.1-62.4-68.7000113.7R45 C46 G50 F587 L595 G648 R649 C652R45-Y48 HydrophobicContact CB-CD2 3.85Å; R45-Y48 HydrophobicContact CB-CE2 4.27Å; C46-Y48 PolarHBondContact O-N 3.32Å; C46-Y48 VanDerWaalsContact O-N 3.15Å; Y48-G50 VanDerWaalsContact C-N 3.3Å; Y48-G50 PolarHBondContact O-N 3.01Å; Y48-F587 HydrophobicContact CD1-CD2 4.37Å; Y48-F587 AromaticContact CD1-CE2 3.96Å; Y48-F587 HydrophobicContact CD1-CE2 3.96Å; Y48-F587 AromaticContact CE1-CD2 3.84Å; Y48-F587 HydrophobicContact CE1-CD2 3.84Å; Y48-F587 AromaticContact CE1-CE2 3.89Å; Y48-F587 HydrophobicContact CE1-CE2 3.89Å; Y48-L595 WeakPolarHBondContact O-CD2 3.36Å; Y48-G648 WeakPolarHBondContact O-CA 3.34Å; Y48-R649 HydrophobicContact CD2-CB 3.77Å; Y48-R649 HydrophobicContact CD2-CG 4.03Å; Y48-R649 HydrophobicContact CE2-CB 4.13Å; Y48-R649 HydrophobicContact CE2-CG 3.85Å; Y48-R649 HydrophobicContact CG-CB 4.01Å; Y48-R649 HydrophobicContact CG-CG 4.48Å; Y48-C652 HydrophobicContact CD1-CB 3.9Å; Y48-C652 HydrophobicContact CE1-CB 4.35Å
49G93.1Very high93.3Very high2 Ų230.6 Ų30.62%0.02115%0.151CC..THydrogen-bonded Turntrans79.39.7-178.300000114.4C46 E47 Y52 Q599C46-G49 PolarHBondContact O-N 3.34Å; E47-G49 VanDerWaalsContact C-N 3.34Å; G49-Y52 PolarHBondContact O-OH 3.44Å; G49-Y52 VanDerWaalsContact O-OH 3.11Å; G49-Q599 PolarHBondContact O-NE2 3.27Å; G49-Q599 PolarHBondContact O-OE1 3.15Å
50G94.4Very high93.4Very high0 Ų032.9 Ų32.90%016%0.162CC..  trans118.8149.3168.200000115.9Y48 G648Y48-G50 VanDerWaalsContact C-N 3.3Å; Y48-G50 PolarHBondContact O-N 3.01Å; G50-G648 WeakPolarHBondContact O-CA 3.5Å; G50-G648 PolarHBondContact O-N 3.43Å
51E95.7Very high93.6Very high15 Ų1529.4 Ų29.47%0.0716%0.156CC..  trans-114.872.7175.6-65.3-60.5146.100110R45 L53 A54 F55 S647 R649R45-E51 HydrophobicContact CB-CG 4.42Å; E51-L53 PolarHBondContact O-N 3.48Å; E51-A54 HydrophobicContact CB-CB 4.05Å; E51-A54 PolarHBondContact O-N 3.45Å; E51-F55 PolarHBondContact O-N 2.94Å; E51-S647 PolarHBondContact OE1-OG 3.44Å; E51-S647 VanDerWaalsContact OE2-CA 3.31Å; E51-S647 WeakPolarHBondContact OE2-CA 3.34Å; E51-S647 WeakPolarHBondContact OE2-CB 3.4Å; E51-S647 PolarHBondContact OE2-OG 3Å; E51-R649 WeakPolarHBondContact OE1-CB 3.5Å; E51-R649 PolarHBondContact OE1-N 3.38Å
52Y97.4Very high93.7Very high0 Ų023.2 Ų23.20%013%0.134CC..Hα-helixtrans-72-28.9-165.3-61.9-65.2000114.1Y39 G49 K56 P122 R123 L124 V128 Q599 F645 A646Y39-Y52 WeakPolarHBondContact OH-CD1 3.3Å; Y39-Y52 WeakPolarHBondContact OH-CE1 3.35Å; G49-Y52 PolarHBondContact O-OH 3.44Å; G49-Y52 VanDerWaalsContact O-OH 3.11Å; Y52-K56 WeakPolarHBondContact O-CB 3.35Å; Y52-K56 PolarHBondContact O-N 3.25Å; Y52-P122 HydrophobicContact CE1-CB 3.95Å; Y52-P122 WeakPolarHBondContact OH-CB 3.39Å; Y52-R123 PolarHBondContact OH-N 2.94Å; Y52-L124 HydrophobicContact CE1-CB 3.78Å; Y52-L124 HydrophobicContact CE2-CB 4.24Å; Y52-L124 HydrophobicContact CE2-CD1 4.15Å; Y52-L124 PolarHBondContact OH-N 3.48Å; Y52-V128 HydrophobicContact CD1-CB 4.19Å; Y52-V128 HydrophobicContact CD1-CG1 4.45Å; Y52-V128 HydrophobicContact CD1-CG2 3.69Å; Y52-V128 HydrophobicContact CE1-CG2 4.34Å; Y52-V128 HydrophobicContact CG-CG2 3.96Å; Y52-Q599 PolarHBondContact OH-OE1 3.1Å; Y52-F645 HydrophobicContact CD2-CB 3.53Å; Y52-F645 VanDerWaalsContact CD2-O 3.26Å; Y52-F645 WeakPolarHBondContact CD2-O 3.24Å; Y52-F645 HydrophobicContact CE2-CB 3.79Å; Y52-A646 PolarHBondContact N-O 3.27Å
53L96Very high93.8Very high4 Ų422.5 Ų22.52%0.02113%0.126CC..Hα-helixtrans-70.1-39.2172.6-176.565.7000111.6E51 K56 G57 M541 V561 I564 R565 L568 W642 A646E51-L53 PolarHBondContact O-N 3.48Å; L53-K56 HydrophobicContact CD1-CD 4.48Å; L53-K56 PolarHBondContact O-N 2.86Å; L53-G57 PolarHBondContact O-N 3.4Å; L53-G57 VanDerWaalsContact O-N 3.07Å; L53-M541 HydrophobicContact CD1-CE 3.69Å; L53-M541 HydrophobicContact CD2-CE 3.68Å; L53-M541 HydrophobicContact CD2-SD 4.33Å; L53-M541 HydrophobicContact CG-CE 4.29Å; L53-V561 HydrophobicContact CD1-CG1 3.87Å; L53-V561 HydrophobicContact CG-CG1 4.32Å; L53-I564 HydrophobicContact CD2-CB 4.34Å; L53-I564 HydrophobicContact CD2-CG2 3.91Å; L53-R565 HydrophobicContact CD2-CB 4.05Å; L53-R565 HydrophobicContact CG-CB 4.39Å; L53-L568 HydrophobicContact CD2-CD1 3.8Å; L53-W642 HydrophobicContact CD1-CE3 3.83Å; L53-W642 HydrophobicContact CD1-CZ3 3.84Å; L53-A646 HydrophobicContact CB-CB 4.07Å; L53-A646 WeakPolarHBondContact CB-O 3.4Å; L53-A646 PolarHBondContact N-O 3.17Å
54A95.6Very high93.9Very high12 Ų1226.2 Ų26.210%0.09913%0.13CC..Hα-helixtrans-65.1-42.3174.800000111F44 E51 K56 G57 Y58 R565F44-A54 HydrophobicContact CD1-CB 4.15Å; F44-A54 HydrophobicContact CE1-CB 3.72Å; F44-A54 HydrophobicContact CZ-CB 4.15Å; E51-A54 HydrophobicContact CB-CB 4.05Å; E51-A54 PolarHBondContact O-N 3.45Å; A54-K56 PolarHBondContact O-N 3.29Å; A54-G57 PolarHBondContact O-N 3.49Å; A54-Y58 WeakPolarHBondContact O-CB 3.3Å; A54-Y58 PolarHBondContact O-N 3.49Å; A54-R565 HydrophobicContact CB-CG 4.47Å
55F96.5Very high94.1Very high0 Ų029.4 Ų29.40%015%0.145CC..Hα-helixtrans-58.6-45.9173.4177.3-127.3000112.1A35 C38 Y39 F44 E51 G57 Y58 V59 V128 L129 I132A35-F55 HydrophobicContact CB-CZ 4.3Å; C38-F55 HydrophobicContact CB-CD2 4.25Å; C38-F55 HydrophobicContact CB-CE2 3.68Å; Y39-F55 HydrophobicContact CD2-CD1 4.47Å; Y39-F55 AromaticContact CD2-CD2 3.64Å; Y39-F55 HydrophobicContact CD2-CD2 3.64Å; Y39-F55 AromaticContact CD2-CE2 3.81Å; Y39-F55 HydrophobicContact CD2-CE2 3.81Å; Y39-F55 HydrophobicContact CD2-CG 4Å; Y39-F55 HydrophobicContact CD2-CZ 4.29Å; Y39-F55 HydrophobicContact CE2-CB 3.75Å; Y39-F55 AromaticContact CE2-CD1 3.57Å; Y39-F55 HydrophobicContact CE2-CD1 3.57Å; Y39-F55 AromaticContact CE2-CD2 3.45Å; Y39-F55 HydrophobicContact CE2-CD2 3.45Å; Y39-F55 VanDerWaalsContact CE2-CD2 3.45Å; Y39-F55 AromaticContact CE2-CE1 3.96Å; Y39-F55 HydrophobicContact CE2-CE1 3.96Å; Y39-F55 AromaticContact CE2-CE2 3.86Å; Y39-F55 HydrophobicContact CE2-CE2 3.86Å; Y39-F55 AromaticContact CE2-CG 3.29Å; Y39-F55 HydrophobicContact CE2-CG 3.29Å; Y39-F55 HydrophobicContact CE2-CZ 4.1Å; Y39-F55 AromaticContact CZ-CG 3.9Å; F44-F55 HydrophobicContact CD2-CB 4.42Å; F44-F55 HydrophobicContact CE2-CB 4.03Å; F44-F55 HydrophobicContact CE2-CD2 4.19Å; E51-F55 PolarHBondContact O-N 2.94Å; F55-G57 PolarHBondContact O-N 2.92Å; F55-Y58 PolarHBondContact O-N 3.22Å; F55-V59 HydrophobicContact CD2-CG2 3.82Å; F55-V59 HydrophobicContact CE1-CG2 4.41Å; F55-V59 HydrophobicContact CE2-CG2 3.39Å; F55-V59 HydrophobicContact CG-CG2 4.48Å; F55-V59 HydrophobicContact CZ-CG2 3.74Å; F55-V59 WeakPolarHBondContact O-CG2 3.46Å; F55-V59 PolarHBondContact O-N 3.39Å; F55-V128 HydrophobicContact CD1-CB 4.28Å; F55-V128 HydrophobicContact CD1-CG1 3.65Å; F55-V128 HydrophobicContact CE1-CB 4.35Å; F55-V128 HydrophobicContact CE1-CG1 4.03Å; F55-L129 HydrophobicContact CE1-CB 4.21Å; F55-L129 HydrophobicContact CZ-CB 4.24Å; F55-L129 HydrophobicContact CZ-CD1 4.5Å; F55-I132 HydrophobicContact CD1-CD1 4.23Å; F55-I132 HydrophobicContact CE1-CD1 4.22Å
56K95.7Very high94.4Very high5 Ų526.3 Ų26.32%0.02213%0.134CC..Hα-helixtrans-54.5-51.6173.7174.3177.4-168.784.40112.8Y52 L53 A54 Y58 V59 H60 I132 E135 W642Y52-K56 WeakPolarHBondContact O-CB 3.35Å; Y52-K56 PolarHBondContact O-N 3.25Å; L53-K56 HydrophobicContact CD1-CD 4.48Å; L53-K56 PolarHBondContact O-N 2.86Å; A54-K56 PolarHBondContact O-N 3.29Å; K56-Y58 VanDerWaalsContact C-N 3.26Å; K56-Y58 PolarHBondContact O-N 3.2Å; K56-V59 PolarHBondContact O-N 3.02Å; K56-H60 PolarHBondContact O-N 3.21Å; K56-I132 HydrophobicContact CB-CD1 3.94Å; K56-I132 HydrophobicContact CB-CG1 4.12Å; K56-I132 HydrophobicContact CG-CD1 4.35Å; K56-I132 HydrophobicContact CG-CG1 4.01Å; K56-E135 IonicContact NZ-OE1 3.57Å; K56-E135 IonicContact NZ-OE2 3.91Å; K56-E135 PolarHBondContact NZ-OE2 3.38Å; K56-W642 HydrophobicContact CD-CD2 3.58Å; K56-W642 HydrophobicContact CD-CE3 3.73Å; K56-W642 HydrophobicContact CD-CG 4.02Å; K56-W642 HydrophobicContact CD-CH2 4.3Å; K56-W642 HydrophobicContact CD-CZ2 4.15Å; K56-W642 HydrophobicContact CD-CZ3 4.09Å
57G94.2Very high94.5Very high28 Ų2830.4 Ų30.429%0.28916%0.162SC..Hα-helixtrans-59.7-38.6178.400000112.7L53 A54 F55 S61L53-G57 PolarHBondContact O-N 3.4Å; L53-G57 VanDerWaalsContact O-N 3.07Å; A54-G57 PolarHBondContact O-N 3.49Å; F55-G57 PolarHBondContact O-N 2.92Å; G57-S61 PolarHBondContact O-N 3.46Å
58Y95.4Very high94.6Very high58 Ų5834.1 Ų34.123%0.22718%0.181CC..Hα-helixtrans-70.4-43.7179.6-170-104.6000112.7C38 R41 A42 F44 A54 F55 K56 H60 S61 F62C38-Y58 HydrophobicContact CB-CD1 3.98Å; C38-Y58 HydrophobicContact CB-CE1 3.99Å; R41-Y58 WeakPolarHBondContact CG-OH 3.28Å; A42-Y58 HydrophobicContact CB-CD1 4.08Å; A42-Y58 HydrophobicContact CB-CD2 4.02Å; A42-Y58 HydrophobicContact CB-CE1 3.92Å; A42-Y58 HydrophobicContact CB-CE2 3.9Å; A42-Y58 HydrophobicContact CB-CG 4.12Å; F44-Y58 HydrophobicContact CE2-CD1 4.46Å; F44-Y58 HydrophobicContact CE2-CG 4.44Å; F44-Y58 HydrophobicContact CZ-CD1 4.47Å; F44-Y58 HydrophobicContact CZ-CG 4.02Å; A54-Y58 WeakPolarHBondContact O-CB 3.3Å; A54-Y58 PolarHBondContact O-N 3.49Å; F55-Y58 PolarHBondContact O-N 3.22Å; K56-Y58 VanDerWaalsContact C-N 3.26Å; K56-Y58 PolarHBondContact O-N 3.2Å; Y58-H60 PolarHBondContact O-N 3.04Å; Y58-S61 WeakPolarHBondContact O-CB 3.46Å; Y58-S61 PolarHBondContact O-N 2.57Å; Y58-S61 VanDerWaalsContact O-N 3.13Å; Y58-S61 PolarHBondContact O-OG 3.26Å; Y58-F62 HydrophobicContact CD1-CD2 4.41Å; Y58-F62 HydrophobicContact CD1-CE2 4.03Å; Y58-F62 HydrophobicContact CE1-CD2 4.23Å; Y58-F62 AromaticContact CE1-CE2 3.44Å; Y58-F62 HydrophobicContact CE1-CE2 3.44Å; Y58-F62 VanDerWaalsContact CE1-CE2 3.44Å; Y58-F62 HydrophobicContact CE1-CZ 4.36Å; Y58-F62 HydrophobicContact CE2-CE2 4.4Å; Y58-F62 AromaticContact CZ-CE2 3.63Å; Y58-F62 PolarHBondContact O-N 2.91Å
59V96.1Very high94.7Very high0 Ų033.7 Ų33.70%018%0.181CC..Hα-helixtrans-62.9-43.4175.1174.20000111.2F34 F55 K56 S61 F62 L63 L129 I132F34-V59 HydrophobicContact CE1-CG1 4.18Å; F34-V59 HydrophobicContact CE1-CG2 4.18Å; F55-V59 HydrophobicContact CD2-CG2 3.82Å; F55-V59 HydrophobicContact CE1-CG2 4.41Å; F55-V59 HydrophobicContact CE2-CG2 3.39Å; F55-V59 HydrophobicContact CG-CG2 4.48Å; F55-V59 HydrophobicContact CZ-CG2 3.74Å; F55-V59 WeakPolarHBondContact O-CG2 3.46Å; F55-V59 PolarHBondContact O-N 3.39Å; K56-V59 PolarHBondContact O-N 3.02Å; V59-S61 PolarHBondContact O-N 3.34Å; V59-F62 WeakPolarHBondContact O-CB 3.35Å; V59-F62 PolarHBondContact O-N 3.11Å; V59-L63 HydrophobicContact CG1-CD1 4.22Å; V59-L63 HydrophobicContact CG1-CG 4.27Å; V59-L63 PolarHBondContact O-N 3.22Å; V59-L129 HydrophobicContact CG1-CD1 3.93Å; V59-L129 HydrophobicContact CG2-CD1 4.3Å; V59-I132 HydrophobicContact CB-CD1 4.23Å; V59-I132 HydrophobicContact CB-CG2 4.26Å; V59-I132 HydrophobicContact CG1-CG2 3.73Å; V59-I132 HydrophobicContact CG2-CD1 4.33Å
60H95.1Very high94.7Very high48 Ų4838.3 Ų38.322%0.22220%0.198CC..Hα-helixtrans-56.4-32.7174.6-79.1-176.1000112.7K56 Y58 L63 K64 S136K56-H60 PolarHBondContact O-N 3.21Å; Y58-H60 PolarHBondContact O-N 3.04Å; H60-L63 PolarHBondContact O-N 3.37Å; H60-K64 WeakPolarHBondContact O-CB 3.48Å; H60-K64 PolarHBondContact O-N 3.44Å; H60-S136 PolarHBondContact NE2-OG 3.12Å
61S93.3Very high94.7Very high49 Ų4938.7 Ų38.734%0.34320%0.2SC..Hα-helixtrans-65-38.2176.280.40000112.6G57 Y58 V59 Q65G57-S61 PolarHBondContact O-N 3.46Å; Y58-S61 WeakPolarHBondContact O-CB 3.46Å; Y58-S61 PolarHBondContact O-N 2.57Å; Y58-S61 VanDerWaalsContact O-N 3.13Å; Y58-S61 PolarHBondContact O-OG 3.26Å; V59-S61 PolarHBondContact O-N 3.34Å; S61-Q65 WeakPolarHBondContact O-CG 3.39Å; S61-Q65 PolarHBondContact O-N 3.48Å; S61-Q65 VanDerWaalsContact O-N 3.13Å
62F92.7Very high94.7Very high43 Ų4342.1 Ų42.119%0.18922%0.216CC..Hα-helixtrans-68.2-46.7173-80.4-81.1000111.9F34 F37 Y58 V59 K64 Q65 F66F34-F62 HydrophobicContact CZ-CB 4.29Å; F34-F62 HydrophobicContact CZ-CD2 4.49Å; F34-F62 HydrophobicContact CZ-CG 4.37Å; F37-F62 HydrophobicContact CE1-CZ 4.4Å; Y58-F62 HydrophobicContact CD1-CD2 4.41Å; Y58-F62 HydrophobicContact CD1-CE2 4.03Å; Y58-F62 HydrophobicContact CE1-CD2 4.23Å; Y58-F62 AromaticContact CE1-CE2 3.44Å; Y58-F62 HydrophobicContact CE1-CE2 3.44Å; Y58-F62 VanDerWaalsContact CE1-CE2 3.44Å; Y58-F62 HydrophobicContact CE1-CZ 4.36Å; Y58-F62 HydrophobicContact CE2-CE2 4.4Å; Y58-F62 AromaticContact CZ-CE2 3.63Å; Y58-F62 PolarHBondContact O-N 2.91Å; V59-F62 WeakPolarHBondContact O-CB 3.35Å; V59-F62 PolarHBondContact O-N 3.11Å; F62-K64 PolarHBondContact O-N 3.49Å; F62-Q65 WeakPolarHBondContact O-CA 3.49Å; F62-Q65 WeakPolarHBondContact O-CB 3.48Å; F62-Q65 PolarHBondContact O-N 2.8Å; F62-F66 HydrophobicContact CB-CE2 4.3Å; F62-F66 WeakPolarHBondContact O-CD2 3.49Å; F62-F66 PolarHBondContact O-N 3.15Å
63L94.9Very high94.7Very high14 Ų1442.5 Ų42.57%0.07322%0.218CC..Hα-helixtrans-58.4-39.2178.1-62.8-179.2000111.5V59 H60 F66 S67 P73 F75 I132 L133 I138V59-L63 HydrophobicContact CG1-CD1 4.22Å; V59-L63 HydrophobicContact CG1-CG 4.27Å; V59-L63 PolarHBondContact O-N 3.22Å; H60-L63 PolarHBondContact O-N 3.37Å; L63-F66 HydrophobicContact CD2-CD2 4.26Å; L63-F66 PolarHBondContact O-N 3.34Å; L63-S67 PolarHBondContact O-N 2.92Å; L63-P73 HydrophobicContact CD2-CG 4.28Å; L63-F75 HydrophobicContact CD2-CE2 4.06Å; L63-F75 HydrophobicContact CD2-CZ 4.31Å; L63-I132 HydrophobicContact CD1-CG2 4.23Å; L63-L133 HydrophobicContact CD1-CD2 4.5Å; L63-L133 HydrophobicContact CD2-CD2 4.39Å; L63-I138 HydrophobicContact CD1-CG1 3.95Å; L63-I138 HydrophobicContact CD2-CD1 4.33Å; L63-I138 HydrophobicContact CD2-CG1 4.03Å
64K93.6Very high94.8Very high146 Ų14642.3 Ų42.364%0.63522%0.217SC*.Hα-helixtrans-62.5-42.7173-177.3175179.7177.60112.2H60 F62 S67 I68H60-K64 WeakPolarHBondContact O-CB 3.48Å; H60-K64 PolarHBondContact O-N 3.44Å; F62-K64 PolarHBondContact O-N 3.49Å; K64-S67 PolarHBondContact O-N 2.99Å; K64-I68 HydrophobicContact CG-CD1 3.93Å; K64-I68 VanDerWaalsContact O-CG1 3.28Å; K64-I68 WeakPolarHBondContact O-CG1 3.33Å; K64-I68 PolarHBondContact O-N 2.92Å
65Q94Very high94.9Very high93 Ų9341.7 Ų41.744%0.43521%0.212SC..Hα-helixtrans-63.6-42.8176.5-72.7174.77.400112S61 F62 I68 C69 I198S61-Q65 WeakPolarHBondContact O-CG 3.39Å; S61-Q65 PolarHBondContact O-N 3.48Å; S61-Q65 VanDerWaalsContact O-N 3.13Å; F62-Q65 WeakPolarHBondContact O-CA 3.49Å; F62-Q65 WeakPolarHBondContact O-CB 3.48Å; F62-Q65 PolarHBondContact O-N 2.8Å; Q65-I68 PolarHBondContact O-N 2.91Å; Q65-C69 PolarHBondContact O-N 3.4Å; Q65-C69 PolarHBondContact O-SG 3.3Å; Q65-I198 HydrophobicContact CB-CD1 4.39Å
66F95.6Very high94.9Very high14 Ų1441.7 Ų41.76%0.06121%0.212CC..Hα-helixtrans-58.2-48.8174-66.2-43.1000111.1L22 L27 I29 F62 L63 I68 C69 R70 V71 P73 I198L22-F66 HydrophobicContact CD2-CE1 4.39Å; L27-F66 HydrophobicContact CD2-CE1 3.95Å; L27-F66 HydrophobicContact CD2-CZ 4.13Å; I29-F66 HydrophobicContact CD1-CE2 4.05Å; I29-F66 HydrophobicContact CD1-CZ 4.19Å; F62-F66 HydrophobicContact CB-CE2 4.3Å; F62-F66 WeakPolarHBondContact O-CD2 3.49Å; F62-F66 PolarHBondContact O-N 3.15Å; L63-F66 HydrophobicContact CD2-CD2 4.26Å; L63-F66 PolarHBondContact O-N 3.34Å; F66-I68 PolarHBondContact O-N 3.25Å; F66-C69 CarbonylContact O-C 3.55Å; F66-C69 PolarHBondContact O-N 3Å; F66-C69 VanDerWaalsContact O-N 3.15Å; F66-R70 PolarHBondContact O-N 3.43Å; F66-V71 HydrophobicContact CB-CB 4.06Å; F66-V71 HydrophobicContact CB-CG1 4.47Å; F66-V71 HydrophobicContact CD1-CB 4.03Å; F66-V71 HydrophobicContact CD1-CG1 3.9Å; F66-V71 HydrophobicContact CG-CB 4.43Å; F66-V71 HydrophobicContact CG-CG1 4.4Å; F66-V71 PolarHBondContact O-N 2.8Å; F66-P73 HydrophobicContact CB-CG 4.3Å; F66-P73 HydrophobicContact CD2-CB 3.93Å; F66-P73 HydrophobicContact CD2-CG 3.89Å; F66-P73 HydrophobicContact CE2-CB 4.23Å; F66-P73 HydrophobicContact CG-CB 4.46Å; F66-P73 HydrophobicContact CG-CG 4.34Å; F66-I198 HydrophobicContact CD1-CD1 3.49Å; F66-I198 VanDerWaalsContact CD1-CD1 3.49Å; F66-I198 HydrophobicContact CE1-CD1 3.73Å
67S93.5Very high95Very high90 Ų9041.5 Ų41.563%0.62921%0.211SC*.Hα-helixtrans-58.3-46.2177.1177.10000112.9L63 K64 C69 R70L63-S67 PolarHBondContact O-N 2.92Å; K64-S67 PolarHBondContact O-N 2.99Å; S67-C69 VanDerWaalsContact C-N 3.25Å; S67-C69 PolarHBondContact O-N 3.46Å; S67-R70 PolarHBondContact O-N 3.1Å
68I92.3Very high94.9Very high78 Ų7840.6 Ų40.640%0.420%0.202SC..Hα-helixtrans-58.9-38.5177.3-70.9165.7000111.4K64 Q65 F66 R70 Y196K64-I68 HydrophobicContact CG-CD1 3.93Å; K64-I68 VanDerWaalsContact O-CG1 3.28Å; K64-I68 WeakPolarHBondContact O-CG1 3.33Å; K64-I68 PolarHBondContact O-N 2.92Å; Q65-I68 PolarHBondContact O-N 2.91Å; F66-I68 PolarHBondContact O-N 3.25Å; I68-R70 VanDerWaalsContact C-N 3.29Å; I68-Y196 HydrophobicContact CG2-CD2 3.53Å; I68-Y196 HydrophobicContact CG2-CE2 4.21Å; I68-Y196 HydrophobicContact CG2-CG 3.72Å
69C93.6Very high94.9Very high9 Ų938.2 Ų38.26%0.06120%0.195CC..THydrogen-bonded Turntrans-884178.8-55.20000113.2H23 N24 Q65 F66 S67 V71 F197 I198H23-C69 WeakPolarHBondContact CA-O 3.32Å; N24-C69 PolarHBondContact N-O 2.67Å; Q65-C69 PolarHBondContact O-N 3.4Å; Q65-C69 PolarHBondContact O-SG 3.3Å; F66-C69 CarbonylContact O-C 3.55Å; F66-C69 PolarHBondContact O-N 3Å; F66-C69 VanDerWaalsContact O-N 3.15Å; S67-C69 VanDerWaalsContact C-N 3.25Å; S67-C69 PolarHBondContact O-N 3.46Å; C69-V71 HydrophobicContact CB-CG2 4.01Å; C69-V71 PolarHBondContact O-N 2.94Å; C69-F197 VanDerWaalsContact SG-C 3.55Å; C69-I198 HydrophobicContact CB-CG1 4.16Å
70R92.8Very high94.9Very high99 Ų9938.3 Ų38.337%0.37420%0.196SC..THydrogen-bonded Turntrans54.834-176.3-50.6179-165.6-168.14.6113.1N24 Q25 F66 S67 I68N24-R70 WeakPolarHBondContact CA-O 3.37Å; N24-R70 HydrophobicContact CB-CB 4.42Å; N24-R70 PolarHBondContact N-O 3.36Å; Q25-R70 PolarHBondContact N-O 2.99Å; F66-R70 PolarHBondContact O-N 3.43Å; S67-R70 PolarHBondContact O-N 3.1Å; I68-R70 VanDerWaalsContact C-N 3.29Å
71V95.2Very high94.8Very high7 Ų737.7 Ų37.74%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-84.6130.1170.6178.20000107.3L22 Q25 L27 F66 C69 P73L22-V71 HydrophobicContact CD2-CG1 4.08Å; L22-V71 HydrophobicContact CD2-CG2 3.97Å; L22-V71 HydrophobicContact CG-CG1 4.32Å; L22-V71 HydrophobicContact CG-CG2 3.72Å; Q25-V71 CarbonylContact O-C 3.49Å; Q25-V71 VanDerWaalsContact O-CA 3.3Å; Q25-V71 WeakPolarHBondContact O-CA 3.44Å; L27-V71 HydrophobicContact CB-CG1 3.66Å; L27-V71 HydrophobicContact CD2-CG1 4.29Å; F66-V71 HydrophobicContact CB-CB 4.06Å; F66-V71 HydrophobicContact CB-CG1 4.47Å; F66-V71 HydrophobicContact CD1-CB 4.03Å; F66-V71 HydrophobicContact CD1-CG1 3.9Å; F66-V71 HydrophobicContact CG-CB 4.43Å; F66-V71 HydrophobicContact CG-CG1 4.4Å; F66-V71 PolarHBondContact O-N 2.8Å; C69-V71 HydrophobicContact CB-CG2 4.01Å; C69-V71 PolarHBondContact O-N 2.94Å; V71-P73 WeakPolarHBondContact O-CD 3.5Å
72E95.7Very high94.6Very high88 Ų8836.1 Ų36.141%0.41118%0.182SC..EExtended strand (participates in β ladder)trans-98.495.8175.3-175.5177.8-172.500109.5Q25 P26 L27 F315Q25-E72 PolarHBondContact O-N 3.4Å; P26-E72 CarbonylContact C-O 3.23Å; P26-E72 VanDerWaalsContact CA-O 3.3Å; P26-E72 WeakPolarHBondContact CA-O 3.24Å; L27-E72 PolarHBondContact N-O 3.38Å; E72-F315 VanDerWaalsContact OE1-CE1 3.31Å; E72-F315 WeakPolarHBondContact OE1-CE1 3.3Å; E72-F315 WeakPolarHBondContact OE1-CZ 3.36Å
73P97.3Very high94.6Very high7 Ų735.5 Ų35.55%0.04518%0.179CC..EExtended strand (participates in β ladder)trans-76.1133.7-177.732-35.8000111L27 I29 L63 F66 V71 F75 I138L27-P73 WeakPolarHBondContact O-CA 3.3Å; I29-P73 HydrophobicContact CD1-CB 3.62Å; L63-P73 HydrophobicContact CD2-CG 4.28Å; F66-P73 HydrophobicContact CB-CG 4.3Å; F66-P73 HydrophobicContact CD2-CB 3.93Å; F66-P73 HydrophobicContact CD2-CG 3.89Å; F66-P73 HydrophobicContact CE2-CB 4.23Å; F66-P73 HydrophobicContact CG-CB 4.46Å; F66-P73 HydrophobicContact CG-CG 4.34Å; V71-P73 WeakPolarHBondContact O-CD 3.5Å; P73-F75 HydrophobicContact CB-CD2 4.39Å; P73-F75 HydrophobicContact CB-CE2 3.84Å; P73-F75 HydrophobicContact CG-CE2 4.32Å; P73-I138 HydrophobicContact CG-CD1 4.3Å; P73-I138 HydrophobicContact CG-CG2 4Å; P73-I138 WeakPolarHBondContact O-CG2 3.31Å
74I97.4Very high94.3Very high0 Ų040.4 Ų40.40%020%0.202CC..EExtended strand (participates in β ladder)trans-121.2113.9177.1-54.5165000107.9P26 L27 I29 I76 P139 L154 L158 L313 F315P26-I74 HydrophobicContact CB-CD1 4.08Å; L27-I74 PolarHBondContact O-N 3.09Å; I29-I74 PolarHBondContact N-O 3.21Å; I74-I76 HydrophobicContact CG2-CD1 3.92Å; I74-P139 HydrophobicContact CG2-CB 4.47Å; I74-L154 HydrophobicContact CG2-CD2 4.07Å; I74-L158 HydrophobicContact CD1-CD1 3.52Å; I74-L313 HydrophobicContact CG2-CD1 3.64Å; I74-F315 HydrophobicContact CD1-CD2 4.3Å; I74-F315 HydrophobicContact CD1-CE1 4.12Å; I74-F315 HydrophobicContact CD1-CE2 3.43Å; I74-F315 VanDerWaalsContact CD1-CE2 3.43Å; I74-F315 HydrophobicContact CD1-CZ 3.34Å; I74-F315 HydrophobicContact CG1-CE2 3.9Å; I74-F315 HydrophobicContact CG1-CZ 3.71Å
75F97.7Very high94Very high0 Ų033.7 Ų33.70%017%0.174CC..EExtended strand (participates in β ladder)trans-95.6121.8-175.3-75.8-98.1000111.9I29 A31 F34 L63 P73 F77 L133 I138 P139 Y140 I141I29-F75 HydrophobicContact CB-CD1 4.01Å; I29-F75 HydrophobicContact CB-CE1 4.13Å; I29-F75 HydrophobicContact CB-CG 4.34Å; I29-F75 HydrophobicContact CD1-CD1 4.45Å; I29-F75 HydrophobicContact CD1-CD2 4.29Å; I29-F75 HydrophobicContact CD1-CE1 3.91Å; I29-F75 HydrophobicContact CD1-CE2 3.74Å; I29-F75 HydrophobicContact CD1-CZ 3.53Å; I29-F75 HydrophobicContact CG2-CD1 3.8Å; I29-F75 HydrophobicContact CG2-CE1 3.65Å; I29-F75 HydrophobicContact CG2-CZ 4.37Å; A31-F75 HydrophobicContact CB-CB 4.05Å; A31-F75 HydrophobicContact CB-CD1 3.86Å; A31-F75 HydrophobicContact CB-CG 4.48Å; F34-F75 HydrophobicContact CB-CE1 4.31Å; F34-F75 AromaticContact CD1-CE1 3.57Å; F34-F75 HydrophobicContact CD1-CE1 3.57Å; F34-F75 HydrophobicContact CD1-CZ 4.29Å; F34-F75 HydrophobicContact CD2-CE1 4.27Å; F34-F75 AromaticContact CE1-CE1 3.86Å; F34-F75 HydrophobicContact CE1-CE1 3.86Å; F34-F75 HydrophobicContact CE1-CZ 4.12Å; F34-F75 AromaticContact CG-CE1 3.79Å; F34-F75 HydrophobicContact CG-CE1 3.79Å; F34-F75 HydrophobicContact CZ-CE1 4.33Å; F34-F75 HydrophobicContact CZ-CZ 4.26Å; L63-F75 HydrophobicContact CD2-CE2 4.06Å; L63-F75 HydrophobicContact CD2-CZ 4.31Å; P73-F75 HydrophobicContact CB-CD2 4.39Å; P73-F75 HydrophobicContact CB-CE2 3.84Å; P73-F75 HydrophobicContact CG-CE2 4.32Å; F75-F77 HydrophobicContact CB-CE2 4.17Å; F75-L133 HydrophobicContact CB-CD1 3.71Å; F75-L133 HydrophobicContact CD1-CD1 4.04Å; F75-L133 HydrophobicContact CD1-CD2 4.46Å; F75-L133 HydrophobicContact CD2-CD1 3.97Å; F75-L133 HydrophobicContact CD2-CD2 3.51Å; F75-L133 HydrophobicContact CD2-CG 4.4Å; F75-L133 HydrophobicContact CE1-CD2 4.43Å; F75-L133 HydrophobicContact CE2-CD2 3.46Å; F75-L133 VanDerWaalsContact CE2-CD2 3.46Å; F75-L133 HydrophobicContact CG-CD1 3.64Å; F75-L133 HydrophobicContact CG-CD2 4.03Å; F75-L133 HydrophobicContact CZ-CD2 3.95Å; F75-I138 HydrophobicContact CD2-CG2 3.75Å; F75-I138 HydrophobicContact CE2-CG2 3.9Å; F75-P139 PolarHBondContact N-O 2.97Å; F75-Y140 CarbonylContact O-C 3.59Å; F75-Y140 WeakPolarHBondContact O-CA 3.21Å; F75-Y140 WeakPolarHBondContact O-CB 3.27Å; F75-I141 PolarHBondContact O-N 2.91Å
76I97Very high93.5Very high0 Ų031.1 Ų31.10%017%0.166CC..EExtended strand (participates in β ladder)trans-109129.3177.4-46.3-56.8000109.6V28 I29 A31 I74 I141 C143 A147 V151 L154 L309 L313V28-I76 HydrophobicContact CG1-CG1 3.69Å; I29-I76 PolarHBondContact O-N 3.41Å; A31-I76 WeakPolarHBondContact CB-O 3.26Å; A31-I76 PolarHBondContact N-O 2.92Å; I74-I76 HydrophobicContact CG2-CD1 3.92Å; I76-I141 WeakPolarHBondContact CA-O 3.49Å; I76-I141 HydrophobicContact CD1-CG2 3.64Å; I76-C143 VanDerWaalsContact CG2-SG 3.53Å; I76-A147 HydrophobicContact CG2-CB 4.07Å; I76-V151 HydrophobicContact CB-CG2 3.5Å; I76-V151 HydrophobicContact CG1-CG2 3.89Å; I76-V151 HydrophobicContact CG2-CG2 3.78Å; I76-L154 HydrophobicContact CD1-CD2 3.73Å; I76-L154 HydrophobicContact CG1-CD2 4.26Å; I76-L309 HydrophobicContact CD1-CD2 4.07Å; I76-L313 HydrophobicContact CD1-CD1 4.35Å
77F96.9Very high93Very high0 Ų032.1 Ų32.10%017%0.17CC..EExtended strand (participates in β ladder)trans-109.1147.7178.6-69.9-95000111.2A31 E32 F75 R126 L129 V130 L133 Y140 I141 A142 C143 L380A31-F77 HydrophobicContact CB-CD1 3.62Å; A31-F77 HydrophobicContact CB-CD2 3.7Å; A31-F77 HydrophobicContact CB-CE1 3.5Å; A31-F77 VanDerWaalsContact CB-CE1 3.5Å; A31-F77 HydrophobicContact CB-CE2 3.58Å; A31-F77 HydrophobicContact CB-CG 3.73Å; A31-F77 HydrophobicContact CB-CZ 3.49Å; A31-F77 VanDerWaalsContact CB-CZ 3.49Å; E32-F77 HydrophobicContact CG-CD1 4.36Å; F75-F77 HydrophobicContact CB-CE2 4.17Å; F77-R126 HydrophobicContact CD1-CG 4.14Å; F77-R126 HydrophobicContact CE1-CG 4.09Å; F77-L129 HydrophobicContact CE1-CD2 4.11Å; F77-L129 HydrophobicContact CZ-CD2 3.88Å; F77-L129 HydrophobicContact CZ-CG 4.05Å; F77-V130 HydrophobicContact CE1-CG2 4.03Å; F77-V130 HydrophobicContact CE2-CG2 4.1Å; F77-V130 HydrophobicContact CZ-CG2 3.69Å; F77-L133 HydrophobicContact CE2-CD1 3.88Å; F77-L133 HydrophobicContact CZ-CD1 3.95Å; F77-Y140 HydrophobicContact CD2-CD2 4.28Å; F77-Y140 HydrophobicContact CE2-CD2 4.04Å; F77-Y140 HydrophobicContact CE2-CG 4.33Å; F77-I141 PolarHBondContact N-O 3.17Å; F77-A142 HydrophobicContact CB-CB 4.07Å; F77-A142 CarbonylContact O-C 3.35Å; F77-A142 VanDerWaalsContact O-CA 3.3Å; F77-A142 WeakPolarHBondContact O-CA 3.47Å; F77-C143 PolarHBondContact O-N 3.45Å; F77-L380 HydrophobicContact CB-CD1 3.74Å; F77-L380 HydrophobicContact CD1-CD1 3.8Å; F77-L380 HydrophobicContact CD2-CD1 3.87Å; F77-L380 HydrophobicContact CE1-CD1 4.34Å; F77-L380 HydrophobicContact CE2-CD1 4.4Å; F77-L380 HydrophobicContact CG-CD1 3.53Å
78G93.6Very high92.9Very high10 Ų1028.4 Ų28.410%0.10314%0.144CC..  trans-71.2142.6166.800000111.8R126 R145G78-R126 VanDerWaalsContact O-CZ 3.24Å; G78-R126 PolarHBondContact O-NH1 3.07Å; G78-R126 PolarHBondContact O-NH2 3.39Å; G78-R145 CarbonylContact C-O 3.58Å
79G95.2Very high92.7Very high7 Ų730.6 Ų30.67%0.07216%0.156CC..  trans-85.7-129.716900000112.3C143 E144 R145 P384G79-C143 WeakPolarHBondContact CA-O 3.19Å; G79-C143 PolarHBondContact N-O 3.3Å; G79-E144 WeakPolarHBondContact CA-O 3.35Å; G79-R145 PolarHBondContact N-O 3.3Å; G79-P384 WeakPolarHBondContact O-CB 3.42Å
80C95.4Very high92.4Very high2 Ų231.5 Ų31.51%0.01416%0.161CC..SBendtrans-70.7163.7173.9-65.90000110.8E144 R145 I365 D388C80-E144 PolarHBondContact N-O 3.17Å; C80-R145 CarbonylContact O-C 3.15Å; C80-R145 WeakPolarHBondContact O-CA 3.11Å; C80-I365 HydrophobicContact CB-CD1 3.84Å; C80-D388 VanDerWaalsContact CA-OD1 3.26Å; C80-D388 WeakPolarHBondContact CA-OD1 3.43Å; C80-D388 VanDerWaalsContact CB-OD1 3.32Å; C80-D388 WeakPolarHBondContact CB-OD1 3.24Å
81H93.2Very high92.4Very high36 Ų3628.3 Ų28.317%0.16715%0.151CC..PPolyproline II helixtrans-68.8165171.5-67.8107.3000111.9R145 D388 V392H81-R145 PolarHBondContact O-NH1 3.46Å; H81-R145 VanDerWaalsContact O-NH1 3.15Å; H81-D388 IonicContact CE1-OD2 2.74Å; H81-D388 PolarHBondContact CE1-OD2 3.03Å; H81-D388 IonicContact CG-OD2 2.94Å; H81-D388 PolarHBondContact N-OD1 3.47Å; H81-D388 IonicContact ND1-OD1 2.98Å; H81-D388 IonicContact ND1-OD2 3.43Å; H81-D388 PolarHBondContact ND1-OD2 2.82Å; H81-V392 HydrophobicContact CB-CG1 4.28Å; H81-V392 HydrophobicContact CB-CG2 4Å; H81-V392 WeakPolarHBondContact O-CG2 3.42Å
82P89.4Confident92.3Very high16 Ų1629.1 Ų29.110%0.10416%0.155CC..PPolyproline II helixtrans-53.6141.4175.2-26.935.8000112E84 G85 E146 V392P82-E84 PolarHBondContact O-N 2.93Å; P82-G85 PolarHBondContact O-N 3.23Å; P82-E146 HydrophobicContact CG-CG 3.77Å; P82-V392 WeakPolarHBondContact O-CG1 3.09Å
83Q91.9Very high92Very high30 Ų3030.2 Ų30.214%0.1416%0.159CC..THydrogen-bonded Turntrans-58.2-36.5-171.7-170.4174.6-8500112.5G85 R145 D363 R393 C440Q83-G85 PolarHBondContact O-N 3.49Å; Q83-R145 VanDerWaalsContact CA-NH1 3.28Å; Q83-D363 PolarHBondContact OE1-O 3.24Å; Q83-R393 WeakPolarHBondContact O-CB 3.47Å; Q83-R393 VanDerWaalsContact O-CG 3.29Å; Q83-R393 WeakPolarHBondContact O-CG 3.42Å; Q83-R393 PolarHBondContact O-N 3.38Å; Q83-C440 HydrophobicContact CG-CB 4.43Å; Q83-C440 WeakPolarHBondContact CG-SG 3.43Å
84E88.6Confident91.6Very high117 Ų11732.3 Ų32.355%0.54717%0.166SC..THydrogen-bonded Turntrans-68.6-14.1-175.4-60.965.9-139.400111.9P82 S86 N394P82-E84 PolarHBondContact O-N 2.93Å; E84-S86 VanDerWaalsContact C-N 3.27Å; E84-N394 PolarHBondContact O-ND2 2.91Å; E84-N394 VanDerWaalsContact O-ND2 3.17Å
85G87.7Confident91.4Very high5 Ų532.9 Ų32.95%0.05217%0.169CC..  trans73.619.1-176.200000113.3P82 Q83 K87 L88P82-G85 PolarHBondContact O-N 3.23Å; Q83-G85 PolarHBondContact O-N 3.49Å; G85-K87 PolarHBondContact O-N 2.9Å; G85-L88 VanDerWaalsContact O-CB 3.24Å; G85-L88 WeakPolarHBondContact O-CB 3.49Å; G85-L88 PolarHBondContact O-N 2.94Å; G85-L88 VanDerWaalsContact O-N 3.09Å
86S83.1Confident91.2Very high38 Ų3837 Ų3727%0.26619%0.189SC..THydrogen-bonded Turntrans-57.2-30.3-178.554.60000113.8E84 L88 M228E84-S86 VanDerWaalsContact C-N 3.27Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 3.14Å; S86-M228 WeakPolarHBondContact OG-CE 3.06Å; S86-M228 PolarHBondContact OG-SD 2.96Å; S86-M228 VanDerWaalsContact OG-SD 3.36Å
87K86.2Confident90.9Very high35 Ų3541.7 Ų41.715%0.15221%0.211CC..THydrogen-bonded Turntrans-78.1-11.7-179.6-167.5141.2168.4-1780114.2G85 D89 T90 L91 E146G85-K87 PolarHBondContact O-N 2.9Å; K87-D89 PolarHBondContact O-N 3.46Å; K87-T90 WeakPolarHBondContact O-CB 3.44Å; K87-T90 PolarHBondContact O-N 3.23Å; K87-L91 HydrophobicContact CG-CD1 4.32Å; K87-L91 HydrophobicContact CG-CD2 4.39Å; K87-L91 HydrophobicContact CG-CG 4Å; K87-L91 WeakPolarHBondContact O-CG 3.45Å; K87-L91 PolarHBondContact O-N 2.83Å; K87-E146 WeakPolarHBondContact CD-OE1 3.23Å; K87-E146 WeakPolarHBondContact CE-OE1 3.38Å; K87-E146 IonicContact NZ-OE1 3.92Å; K87-E146 PolarHBondContact NZ-OE1 3.39Å
88L91.2Very high90.7Very high13 Ų1344.4 Ų44.47%0.06822%0.222CC..Hα-helixtrans-56.1-48.5-172.917860.2000112G85 S86 T90 L91 L92 N394 Y450G85-L88 VanDerWaalsContact O-CB 3.24Å; G85-L88 WeakPolarHBondContact O-CB 3.49Å; G85-L88 PolarHBondContact O-N 2.94Å; G85-L88 VanDerWaalsContact O-N 3.09Å; S86-L88 VanDerWaalsContact C-N 3.3Å; S86-L88 PolarHBondContact O-N 3.14Å; L88-T90 VanDerWaalsContact C-N 3.29Å; L88-T90 PolarHBondContact O-N 3.33Å; L88-L91 CarbonylContact O-C 3.59Å; L88-L91 WeakPolarHBondContact O-CA 3.18Å; L88-L91 WeakPolarHBondContact O-CB 3.26Å; L88-L91 PolarHBondContact O-N 2.97Å; L88-L92 HydrophobicContact CD1-CD1 4.24Å; L88-L92 HydrophobicContact CD1-CD2 4.19Å; L88-L92 HydrophobicContact CD1-CG 3.99Å; L88-L92 HydrophobicContact CG-CD1 3.99Å; L88-L92 HydrophobicContact CG-CG 4.2Å; L88-L92 VanDerWaalsContact O-CG 3.31Å; L88-L92 WeakPolarHBondContact O-CG 3.31Å; L88-L92 PolarHBondContact O-N 3.35Å; L88-N394 HydrophobicContact CD2-CB 3.65Å; L88-Y450 HydrophobicContact CD1-CD2 4.05Å; L88-Y450 HydrophobicContact CD1-CE2 3.98Å; L88-Y450 HydrophobicContact CD2-CE2 3.68Å; L88-Y450 HydrophobicContact CG-CE2 4.37Å
89D88Confident90.6Very high124 Ų12444.8 Ų44.866%0.66322%0.221SC*.Hα-helixtrans-60.1-40.7-179.1-74.5-15.9000112.2K87 L91 L92 K93K87-D89 PolarHBondContact O-N 3.46Å; D89-L91 PolarHBondContact O-N 3.37Å; D89-L92 PolarHBondContact O-N 3.49Å; D89-K93 WeakPolarHBondContact O-CB 3.46Å; D89-K93 PolarHBondContact O-N 3.21Å
90T87.2Confident90.4Very high28 Ų2849.1 Ų49.117%0.17224%0.242CC..Hα-helixtrans-62.6-41.6174.1-710000111.3K87 L88 R94 D227K87-T90 WeakPolarHBondContact O-CB 3.44Å; K87-T90 PolarHBondContact O-N 3.23Å; L88-T90 VanDerWaalsContact C-N 3.29Å; L88-T90 PolarHBondContact O-N 3.33Å; T90-R94 WeakPolarHBondContact O-CB 3.29Å; T90-R94 VanDerWaalsContact O-CG 3.26Å; T90-R94 WeakPolarHBondContact O-CG 3.5Å; T90-R94 PolarHBondContact O-N 3.18Å; T90-D227 PolarHBondContact OG1-O 3.42Å; T90-D227 VanDerWaalsContact OG1-O 3.09Å
91L91.6Very high90.2Very high31 Ų3152.8 Ų52.816%0.16226%0.258CS..Hα-helixtrans-67.2-42.7176.5-63.5174000112.2K87 L88 D89 R94 N95 I397K87-L91 HydrophobicContact CG-CD1 4.32Å; K87-L91 HydrophobicContact CG-CD2 4.39Å; K87-L91 HydrophobicContact CG-CG 4Å; K87-L91 WeakPolarHBondContact O-CG 3.45Å; K87-L91 PolarHBondContact O-N 2.83Å; L88-L91 CarbonylContact O-C 3.59Å; L88-L91 WeakPolarHBondContact O-CA 3.18Å; L88-L91 WeakPolarHBondContact O-CB 3.26Å; L88-L91 PolarHBondContact O-N 2.97Å; D89-L91 PolarHBondContact O-N 3.37Å; L91-R94 PolarHBondContact O-N 2.92Å; L91-N95 WeakPolarHBondContact O-CB 3.31Å; L91-N95 PolarHBondContact O-N 3.05Å; L91-N95 PolarHBondContact O-ND2 2.93Å; L91-I397 HydrophobicContact CB-CG2 3.53Å; L91-I397 HydrophobicContact CD1-CG2 4.5Å
92L93Very high90Very high24 Ų2451 Ų5113%0.12625%0.25CC..Hα-helixtrans-60.3-46.9176.6-65.5174.3000110.3L88 D89 N95 M96 I397 Y450 L458L88-L92 HydrophobicContact CD1-CD1 4.24Å; L88-L92 HydrophobicContact CD1-CD2 4.19Å; L88-L92 HydrophobicContact CD1-CG 3.99Å; L88-L92 HydrophobicContact CG-CD1 3.99Å; L88-L92 HydrophobicContact CG-CG 4.2Å; L88-L92 VanDerWaalsContact O-CG 3.31Å; L88-L92 WeakPolarHBondContact O-CG 3.31Å; L88-L92 PolarHBondContact O-N 3.35Å; D89-L92 PolarHBondContact O-N 3.49Å; L92-N95 PolarHBondContact O-N 3.49Å; L92-M96 WeakPolarHBondContact O-CG 3.5Å; L92-M96 PolarHBondContact O-N 3.29Å; L92-I397 HydrophobicContact CD2-CB 4.11Å; L92-I397 HydrophobicContact CD2-CD1 3.77Å; L92-I397 HydrophobicContact CD2-CG2 4.13Å; L92-Y450 HydrophobicContact CD1-CE1 4.38Å; L92-Y450 HydrophobicContact CD2-CD1 3.85Å; L92-Y450 HydrophobicContact CD2-CD2 4.23Å; L92-Y450 HydrophobicContact CD2-CE1 4.47Å; L92-Y450 HydrophobicContact CD2-CG 3.71Å; L92-L458 HydrophobicContact CB-CD1 3.94Å; L92-L458 HydrophobicContact CD2-CD1 3.55Å; L92-L458 HydrophobicContact CG-CD1 4.32Å
93K90.6Very high90Very high111 Ų11151 Ų5148%0.48325%0.25SS..Hα-helixtrans-61.1-47.8176.9-175.6179.7176.8-1790112.5D89 N95 M96 E97D89-K93 WeakPolarHBondContact O-CB 3.46Å; D89-K93 PolarHBondContact O-N 3.21Å; K93-N95 VanDerWaalsContact C-N 3.27Å; K93-N95 PolarHBondContact O-N 2.95Å; K93-M96 PolarHBondContact O-N 2.85Å; K93-M96 VanDerWaalsContact O-N 3.17Å; K93-E97 VanDerWaalsContact CE-OE1 3.31Å; K93-E97 WeakPolarHBondContact CE-OE1 3.16Å; K93-E97 WeakPolarHBondContact O-CG 3.3Å; K93-E97 PolarHBondContact O-N 2.95Å
94R89.6Confident89.8Confident52 Ų5252.8 Ų52.820%0.19627%0.265CS..Hα-helixtrans-59-39.5177-75.1174.7-174.3175.36.8111.6T90 L91 E97 Y98 D227T90-R94 WeakPolarHBondContact O-CB 3.29Å; T90-R94 VanDerWaalsContact O-CG 3.26Å; T90-R94 WeakPolarHBondContact O-CG 3.5Å; T90-R94 PolarHBondContact O-N 3.18Å; L91-R94 PolarHBondContact O-N 2.92Å; R94-E97 PolarHBondContact O-N 3.42Å; R94-Y98 HydrophobicContact CB-CE2 4.47Å; R94-Y98 WeakPolarHBondContact O-CD2 3.45Å; R94-Y98 PolarHBondContact O-N 2.88Å; R94-D227 IonicContact NH2-OD1 3.95Å; R94-D227 IonicContact NH2-OD2 3.56Å; R94-D227 PolarHBondContact NH2-OD2 3.33Å
95N92.7Very high89.6Confident12 Ų1248.2 Ų48.26%0.06425%0.248CC..Hα-helixtrans-65.1-41.9176.1-86.2-84.7000112.6L91 L92 K93 Y98 F99 I397 N398 L400L91-N95 WeakPolarHBondContact O-CB 3.31Å; L91-N95 PolarHBondContact O-N 3.05Å; L91-N95 PolarHBondContact O-ND2 2.93Å; L92-N95 PolarHBondContact O-N 3.49Å; K93-N95 VanDerWaalsContact C-N 3.27Å; K93-N95 PolarHBondContact O-N 2.95Å; N95-Y98 PolarHBondContact O-N 2.9Å; N95-F99 WeakPolarHBondContact O-CB 3.32Å; N95-F99 PolarHBondContact O-N 3Å; N95-I397 HydrophobicContact CB-CD1 3.65Å; N95-I397 HydrophobicContact CB-CG1 4.48Å; N95-N398 PolarHBondContact OD1-O 2.81Å; N95-N398 VanDerWaalsContact OD1-O 3.13Å; N95-L400 WeakPolarHBondContact OD1-CB 3.33Å; N95-L400 PolarHBondContact OD1-N 3.13Å
96M92.5Very high89.4Confident85 Ų8549.5 Ų49.542%0.41925%0.253SS..Hα-helixtrans-62.9-42.8174.1-68.7-174-65.800111.6L92 K93 Y98 F99 D100 L458L92-M96 WeakPolarHBondContact O-CG 3.5Å; L92-M96 PolarHBondContact O-N 3.29Å; K93-M96 PolarHBondContact O-N 2.85Å; K93-M96 VanDerWaalsContact O-N 3.17Å; M96-Y98 VanDerWaalsContact C-N 3.33Å; M96-Y98 PolarHBondContact O-N 3.29Å; M96-F99 WeakPolarHBondContact O-CB 3.46Å; M96-F99 PolarHBondContact O-N 3.38Å; M96-D100 PolarHBondContact O-N 3.1Å; M96-L458 HydrophobicContact CG-CD1 4.06Å
97E92Very high89.2Confident100 Ų10055.5 Ų55.547%0.46728%0.275SS..Hα-helixtrans-60.7-40.8175.6-70.6173.3-176.300112.2K93 R94 K101K93-E97 VanDerWaalsContact CE-OE1 3.31Å; K93-E97 WeakPolarHBondContact CE-OE1 3.16Å; K93-E97 WeakPolarHBondContact O-CG 3.3Å; K93-E97 PolarHBondContact O-N 2.95Å; R94-E97 PolarHBondContact O-N 3.42Å; E97-K101 WeakPolarHBondContact O-CB 3.46Å; E97-K101 PolarHBondContact O-N 3.24Å
98Y92.1Very high88.1Confident57 Ų5762.2 Ų62.222%0.22430%0.304CS..Hα-helixtrans-67.4-39.8174.7-62.4-26.9000112.3R94 N95 M96 K101 L102 I120 R399R94-Y98 HydrophobicContact CB-CE2 4.47Å; R94-Y98 WeakPolarHBondContact O-CD2 3.45Å; R94-Y98 PolarHBondContact O-N 2.88Å; N95-Y98 PolarHBondContact O-N 2.9Å; M96-Y98 VanDerWaalsContact C-N 3.33Å; M96-Y98 PolarHBondContact O-N 3.29Å; Y98-K101 PolarHBondContact O-N 3.41Å; Y98-L102 VanDerWaalsContact O-CB 3.32Å; Y98-L102 WeakPolarHBondContact O-CB 3.49Å; Y98-L102 PolarHBondContact O-N 3.23Å; Y98-I120 HydrophobicContact CD1-CG1 4.16Å; Y98-I120 HydrophobicContact CG-CG1 4.42Å; Y98-R399 HydrophobicContact CE2-CG 4.26Å
99F92.3Very high86.3Confident17 Ų1764.5 Ų64.58%0.07532%0.315CS..Hα-helixtrans-59.6-48.7174.1179.2-92.5000111.3N95 M96 K101 L102 S103 L400 I405 R452 G456N95-F99 WeakPolarHBondContact O-CB 3.32Å; N95-F99 PolarHBondContact O-N 3Å; M96-F99 WeakPolarHBondContact O-CB 3.46Å; M96-F99 PolarHBondContact O-N 3.38Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 3.3Å; F99-L102 PolarHBondContact O-N 2.68Å; F99-S103 VanDerWaalsContact O-CB 3.23Å; F99-S103 WeakPolarHBondContact O-CB 3.42Å; F99-S103 PolarHBondContact O-N 2.93Å; F99-L400 HydrophobicContact CB-CD1 4.04Å; F99-L400 HydrophobicContact CD2-CD1 4.29Å; F99-I405 HydrophobicContact CD2-CB 4.32Å; F99-I405 HydrophobicContact CD2-CD1 4.44Å; F99-I405 HydrophobicContact CD2-CG2 3.97Å; F99-I405 HydrophobicContact CE2-CB 3.83Å; F99-I405 HydrophobicContact CE2-CD1 4.01Å; F99-I405 HydrophobicContact CE2-CG1 4.5Å; F99-I405 HydrophobicContact CE2-CG2 4Å; F99-I405 HydrophobicContact CZ-CD1 4.3Å; F99-R452 HydrophobicContact CD2-CG 4.3Å; F99-R452 HydrophobicContact CE2-CG 4.45Å; F99-G456 VanDerWaalsContact CE1-CA 3.41Å; F99-G456 VanDerWaalsContact CZ-N 3.33Å
100D90.9Very high84Confident98 Ų9863.5 Ų63.552%0.52432%0.318SS..Hα-helixtrans-62.3-41-179.9-73.2-21.4000111.6M96 S104M96-D100 PolarHBondContact O-N 3.1Å; D100-S104 VanDerWaalsContact O-CB 3.26Å; D100-S104 WeakPolarHBondContact O-CB 3.26Å; D100-S104 PolarHBondContact O-N 3.43Å; D100-S104 PolarHBondContact O-OG 3.03Å
101K90Very high81.9Confident79 Ų7966.7 Ų66.734%0.34334%0.337SS..Hα-helixtrans-61.2-46.8175.6-173.2175.6-173.3167.70111.7E97 Y98 F99 A105 I118 D119 I120E97-K101 WeakPolarHBondContact O-CB 3.46Å; E97-K101 PolarHBondContact O-N 3.24Å; Y98-K101 PolarHBondContact O-N 3.41Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 3.3Å; K101-A105 WeakPolarHBondContact O-CB 3.11Å; K101-A105 PolarHBondContact O-N 3.21Å; K101-I118 HydrophobicContact CD-CG2 4.31Å; K101-I118 HydrophobicContact CG-CG2 4.3Å; K101-D119 VanDerWaalsContact NZ-C 3.33Å; K101-D119 VanDerWaalsContact NZ-CB 3.33Å; K101-D119 PolarHBondContact NZ-O 3.27Å; K101-I120 HydrophobicContact CD-CG1 4.29Å
102L90Very high80.1Confident0 Ų071.2 Ų71.20%035%0.353CS..Hα-helixtrans-68.9-44.1179.6-175.255.7000111.7Y98 F99 S104 A105 L106 I118 I120 L400 M402 E403 I405Y98-L102 VanDerWaalsContact O-CB 3.32Å; Y98-L102 WeakPolarHBondContact O-CB 3.49Å; Y98-L102 PolarHBondContact O-N 3.23Å; F99-L102 PolarHBondContact O-N 2.68Å; L102-S104 VanDerWaalsContact C-N 3.35Å; L102-S104 PolarHBondContact O-N 3.08Å; L102-A105 PolarHBondContact O-N 3.43Å; L102-L106 HydrophobicContact CD1-CD1 3.88Å; L102-L106 HydrophobicContact CD1-CG 4.06Å; L102-L106 HydrophobicContact CG-CD1 3.93Å; L102-L106 HydrophobicContact CG-CG 4.46Å; L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 VanDerWaalsContact O-CG 3.31Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.24Å; L102-I118 HydrophobicContact CD1-CD1 4.05Å; L102-I120 HydrophobicContact CB-CD1 4.44Å; L102-L400 HydrophobicContact CD2-CD2 4.02Å; L102-M402 HydrophobicContact CD1-CE 3.63Å; L102-M402 HydrophobicContact CD1-SD 4.05Å; L102-E403 HydrophobicContact CD2-CG 4.47Å; L102-E403 WeakPolarHBondContact CD2-O 3.35Å; L102-I405 HydrophobicContact CD2-CG2 3.58Å; L102-I405 HydrophobicContact CG-CD1 4.32Å; L102-I405 HydrophobicContact CG-CG2 4.22Å
103S89.5Confident78Confident16 Ų1672.3 Ų72.311%0.11236%0.362CS..Hα-helixtrans-59.3-44.8175.9-169.80000111.9F99 L106 K107 I405F99-S103 VanDerWaalsContact O-CB 3.23Å; F99-S103 WeakPolarHBondContact O-CB 3.42Å; F99-S103 PolarHBondContact O-N 2.93Å; S103-L106 PolarHBondContact O-N 3.04Å; S103-K107 WeakPolarHBondContact O-CB 3.35Å; S103-K107 VanDerWaalsContact O-CG 3.25Å; S103-K107 WeakPolarHBondContact O-CG 3.38Å; S103-K107 PolarHBondContact O-N 2.61Å; S103-K107 WeakPolarHBondContact OG-CE 3.46Å; S103-K107 PolarHBondContact OG-NZ 3.3Å; S103-I405 VanDerWaalsContact CA-CD1 3.46Å
104S87.7Confident76.3Confident66 Ų6672.9 Ų72.946%0.46237%0.367SS..Hα-helixtrans-62.3-46175-58.90000111D100 L102 L106 K107 F108D100-S104 VanDerWaalsContact O-CB 3.26Å; D100-S104 WeakPolarHBondContact O-CB 3.26Å; D100-S104 PolarHBondContact O-N 3.43Å; D100-S104 PolarHBondContact O-OG 3.03Å; L102-S104 VanDerWaalsContact C-N 3.35Å; L102-S104 PolarHBondContact O-N 3.08Å; S104-L106 PolarHBondContact O-N 2.86Å; S104-K107 PolarHBondContact O-N 3.09Å; S104-F108 WeakPolarHBondContact O-CD2 3.25Å; S104-F108 PolarHBondContact O-N 3.33Å
105A84Confident74.9Confident22 Ų2279 Ų7918%0.18240%0.395CS..Hα-helixtrans-63-41-179.800000112.8K101 L102 L116 I118K101-A105 WeakPolarHBondContact O-CB 3.11Å; K101-A105 PolarHBondContact O-N 3.21Å; L102-A105 PolarHBondContact O-N 3.43Å; A105-L116 HydrophobicContact CB-CD1 4.24Å; A105-I118 HydrophobicContact CB-CD1 3.53Å; A105-I118 HydrophobicContact CB-CG1 3.81Å
106L82.4Confident73.9Confident31 Ų3179.6 Ų79.616%0.16240%0.398CS..Hα-helixtrans-76.9-30.3-178.3-65.2173.9000113.3L102 S103 S104 E109 I405 I589L102-L106 HydrophobicContact CD1-CD1 3.88Å; L102-L106 HydrophobicContact CD1-CG 4.06Å; L102-L106 HydrophobicContact CG-CD1 3.93Å; L102-L106 HydrophobicContact CG-CG 4.46Å; L102-L106 WeakPolarHBondContact O-CB 3.3Å; L102-L106 VanDerWaalsContact O-CG 3.31Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 3.24Å; S103-L106 PolarHBondContact O-N 3.04Å; S104-L106 PolarHBondContact O-N 2.86Å; L106-E109 PolarHBondContact O-N 3.41Å; L106-I405 HydrophobicContact CD1-CD1 4.08Å; L106-I405 HydrophobicContact CD1-CG1 3.8Å; L106-I589 HydrophobicContact CD1-CG1 4.32Å; L106-I589 HydrophobicContact CD2-CB 4.26Å; L106-I589 HydrophobicContact CD2-CG1 4.36Å
107K79.1Confident73Confident164 Ų16480.4 Ų80.471%0.71340%0.404SS*.Hα-helixtrans-69.2-32.3178-79.4173.5-176.8171.80113.6S103 S104 E109S103-K107 WeakPolarHBondContact O-CB 3.35Å; S103-K107 VanDerWaalsContact O-CG 3.25Å; S103-K107 WeakPolarHBondContact O-CG 3.38Å; S103-K107 PolarHBondContact O-N 2.61Å; S103-K107 WeakPolarHBondContact OG-CE 3.46Å; S103-K107 PolarHBondContact OG-NZ 3.3Å; S104-K107 PolarHBondContact O-N 3.09Å; K107-E109 PolarHBondContact O-N 3.18Å
108F63.6Low72.5Confident176 Ų17675.9 Ų75.977%0.77238%0.383SS*.THydrogen-bonded Turntrans-76.6-5.9-179.1-88.9-88000113.2S104 S110S104-F108 WeakPolarHBondContact O-CD2 3.25Å; S104-F108 PolarHBondContact O-N 3.33Å; F108-S110 PolarHBondContact O-N 3.27Å; F108-S110 VanDerWaalsContact O-N 3.15Å
109E52.8Low72Confident61 Ų6176 Ų7629%0.28539%0.388SS..  trans-91.372.1-176.7-75.4-165.414000113.8L106 K107 L116L106-E109 PolarHBondContact O-N 3.41Å; K107-E109 PolarHBondContact O-N 3.18Å; E109-L116 HydrophobicContact CG-CD1 4.38Å
110S40.6Very low71.8Confident104 Ų10475.4 Ų75.473%0.72739%0.385SS*.SBendtrans-86.38.9138.555.40000111.9F108F108-S110 PolarHBondContact O-N 3.27Å; F108-S110 VanDerWaalsContact O-N 3.15Å
111T43.3Very low71.8Confident94 Ų9471.6 Ų71.658%0.57737%0.365SS*.SBendtrans-152.883.4177.8-420000113.6S113T111-S113 WeakPolarHBondContact O-CB 3.26Å; T111-S113 PolarHBondContact O-N 2.96Å
112Y53.6Low72.1Confident126 Ų12668 Ų6849%0.49435%0.35SS..  33.761.4114.5-56.5-44.3000118.1A584 P585 S586Y112-A584 HydrophobicContact CE2-CB 4.21Å; Y112-P585 WeakPolarHBondContact CA-O 3.46Å; Y112-P585 WeakPolarHBondContact CB-O 3.46Å; Y112-P585 VanDerWaalsContact CD1-C 3.42Å; Y112-P585 WeakPolarHBondContact CD1-O 3.36Å; Y112-P585 VanDerWaalsContact CG-O 3.31Å; Y112-S586 VanDerWaalsContact CE1-CB 3.44Å
113S49.8Very low72.3Confident47 Ų4769.8 Ų69.833%0.32936%0.357SS..  trans-134128.3-174.3-179.80000113.1T111 K115 L116T111-S113 WeakPolarHBondContact O-CB 3.26Å; T111-S113 PolarHBondContact O-N 2.96Å; S113-K115 PolarHBondContact O-N 2.75Å; S113-K115 VanDerWaalsContact OG-CB 3.27Å; S113-K115 WeakPolarHBondContact OG-CB 3.33Å; S113-K115 WeakPolarHBondContact OG-CG 3.22Å; S113-K115 PolarHBondContact OG-N 2.96Å; S113-L116 PolarHBondContact O-N 2.76Å; S113-L116 VanDerWaalsContact O-N 3.11Å
114E54.4Low72.6Confident124 Ų12469 Ų6958%0.57935%0.352SS*.THydrogen-bonded Turntrans-52.7-8.1169.2-59.6-179.6156.100114.2R45 K576R45-E114 PolarHBondContact NH1-O 2.89Å; R45-E114 PolarHBondContact NH2-O 3.47Å; R45-E114 VanDerWaalsContact NH2-O 3.15Å; E114-K576 IonicContact OE1-NZ 2.78Å; E114-K576 PolarHBondContact OE1-NZ 3.15Å
115K59.9Low73Confident181 Ų18166.1 Ų66.179%0.78733%0.331SS*.THydrogen-bonded Turntrans-82.8-8.3178.3-58.7178.8-176.9179.30114.5S113 N117S113-K115 PolarHBondContact O-N 2.75Å; S113-K115 VanDerWaalsContact OG-CB 3.27Å; S113-K115 WeakPolarHBondContact OG-CB 3.33Å; S113-K115 WeakPolarHBondContact OG-CG 3.22Å; S113-K115 PolarHBondContact OG-N 2.96Å; K115-N117 PolarHBondContact O-N 2.82Å
116L71.3Confident73.5Confident24 Ų2467 Ų6713%0.12633%0.33CS..  trans-59.5112.7173.9-155.685.2000108.3R45 E47 A105 E109 S113 I118 F587R45-L116 PolarHBondContact NH2-O 3.23Å; E47-L116 HydrophobicContact CB-CD2 4.14Å; E47-L116 VanDerWaalsContact CD-O 3.27Å; E47-L116 HydrophobicContact CG-CD2 4.17Å; A105-L116 HydrophobicContact CB-CD1 4.24Å; E109-L116 HydrophobicContact CG-CD1 4.38Å; S113-L116 PolarHBondContact O-N 2.76Å; S113-L116 VanDerWaalsContact O-N 3.11Å; L116-I118 HydrophobicContact CD1-CD1 4.4Å; L116-I118 HydrophobicContact CD2-CD1 3.76Å; L116-I118 HydrophobicContact CD2-CG1 4.46Å; L116-I118 HydrophobicContact CG-CD1 3.98Å; L116-I118 HydrophobicContact CG-CG1 4.2Å; L116-F587 HydrophobicContact CD2-CD1 4.2Å; L116-F587 HydrophobicContact CD2-CE1 4.15Å; L116-F587 HydrophobicContact CD2-CZ 4.46Å
117N74Confident74.2Confident102 Ų10267.1 Ų67.155%0.54533%0.33SS..  trans-13989.6179.1-176.86000108K115K115-N117 PolarHBondContact O-N 2.82Å
118I80.7Confident75.1Confident5 Ų559.3 Ų59.33%0.02630%0.296CS..  trans-97.3105.3-176.9-61.1164.6000107.5C46 E47 K101 L102 A105 L116 I120 M402C46-I118 VanDerWaalsContact CB-O 3.24Å; C46-I118 WeakPolarHBondContact CB-O 3.31Å; E47-I118 HydrophobicContact CB-CB 4.48Å; E47-I118 HydrophobicContact CB-CD1 4.45Å; K101-I118 HydrophobicContact CD-CG2 4.31Å; K101-I118 HydrophobicContact CG-CG2 4.3Å; L102-I118 HydrophobicContact CD1-CD1 4.05Å; A105-I118 HydrophobicContact CB-CD1 3.53Å; A105-I118 HydrophobicContact CB-CG1 3.81Å; L116-I118 HydrophobicContact CD1-CD1 4.4Å; L116-I118 HydrophobicContact CD2-CD1 3.76Å; L116-I118 HydrophobicContact CD2-CG1 4.46Å; L116-I118 HydrophobicContact CG-CD1 3.98Å; L116-I118 HydrophobicContact CG-CG1 4.2Å; I118-I120 HydrophobicContact CG2-CB 4.27Å; I118-I120 HydrophobicContact CG2-CD1 3.58Å; I118-I120 HydrophobicContact CG2-CG1 3.71Å; I118-I120 PolarHBondContact O-N 3.37Å; I118-M402 HydrophobicContact CB-SD 3.96Å; I118-M402 HydrophobicContact CD1-CE 3.58Å; I118-M402 HydrophobicContact CD1-SD 4.02Å; I118-M402 HydrophobicContact CG2-SD 3.73Å
119D82Confident76.8Confident60 Ų6050.9 Ų50.932%0.32126%0.26SS..  trans-74.373.2176.217633.9000111.1R40 K101R40-D119 WeakPolarHBondContact CD-OD2 3.47Å; R40-D119 WeakPolarHBondContact CG-OD1 3.45Å; K101-D119 VanDerWaalsContact NZ-C 3.33Å; K101-D119 VanDerWaalsContact NZ-CB 3.33Å; K101-D119 PolarHBondContact NZ-O 3.27Å
120I89.5Confident78.9Confident3 Ų348.6 Ų48.62%0.01525%0.25CC..  trans-117.4116.1166.4-67.7171.8000106.3C46 Y98 K101 L102 I118 L400 M402C46-I120 WeakPolarHBondContact CB-O 3.45Å; Y98-I120 HydrophobicContact CD1-CG1 4.16Å; Y98-I120 HydrophobicContact CG-CG1 4.42Å; K101-I120 HydrophobicContact CD-CG1 4.29Å; L102-I120 HydrophobicContact CB-CD1 4.44Å; I118-I120 HydrophobicContact CG2-CB 4.27Å; I118-I120 HydrophobicContact CG2-CD1 3.58Å; I118-I120 HydrophobicContact CG2-CG1 3.71Å; I118-I120 PolarHBondContact O-N 3.37Å; I120-L400 HydrophobicContact CD1-CD2 4.31Å; I120-M402 HydrophobicContact CD1-SD 4.28Å
121T90.7Very high81.6Confident18 Ų1844.7 Ų44.711%0.1122%0.22CC..  trans-61.6130.8-174.2-540000111.3C125 R399T121-C125 HydrophobicContact CG2-CB 3.86Å; T121-R399 PolarHBondContact O-NH1 3.24Å
122P94.8Very high84.2Confident4 Ų440.2 Ų40.23%0.02619%0.193CC..  trans-57.8156.9-179-28.937.7000114.5Y39 C46 Y52 L124 R399Y39-P122 HydrophobicContact CD1-CG 4.06Å; Y39-P122 HydrophobicContact CE1-CG 3.59Å; C46-P122 HydrophobicContact CB-CG 4.45Å; Y52-P122 HydrophobicContact CE1-CB 3.95Å; Y52-P122 WeakPolarHBondContact OH-CB 3.39Å; P122-L124 PolarHBondContact O-N 3.39Å; P122-R399 PolarHBondContact O-NH2 3.45Å
123R94.5Very high86.3Confident38 Ų3834.2 Ų34.214%0.14317%0.169CC..THydrogen-bonded Turntrans-62-46.5-171.8-176.8151.2-80.6-127.55.6112.6Y52 C125 R399 V401 D412 S600Y52-R123 PolarHBondContact OH-N 2.94Å; R123-C125 VanDerWaalsContact C-N 3.32Å; R123-C125 PolarHBondContact O-N 2.68Å; R123-R399 PolarHBondContact NH2-O 2.82Å; R123-R399 PolarHBondContact O-NH2 3.48Å; R123-V401 HydrophobicContact CB-CG1 4.18Å; R123-D412 IonicContact CZ-OD1 3.01Å; R123-D412 IonicContact CZ-OD2 3.79Å; R123-D412 IonicContact NH1-OD1 2.7Å; R123-D412 PolarHBondContact NH1-OD1 2.96Å; R123-D412 IonicContact NH1-OD2 3.66Å; R123-D412 IonicContact NH2-OD1 3.67Å; R123-D412 PolarHBondContact NH2-OD1 2.98Å; R123-D412 IonicContact NH2-OD2 3.4Å; R123-D412 PolarHBondContact NH2-OD2 2.88Å; R123-S600 PolarHBondContact NH1-OG 3.22Å; R123-S600 VanDerWaalsContact NH1-OG 3.09Å
124L96.7Very high88.5Confident0 Ų036.8 Ų36.80%017%0.174CC..THydrogen-bonded Turntrans-90.19.7-171.1-54.3173.3000113.8Y52 P122 R126 N127 V128 Q599 L641 F645Y52-L124 HydrophobicContact CE1-CB 3.78Å; Y52-L124 HydrophobicContact CE2-CB 4.24Å; Y52-L124 HydrophobicContact CE2-CD1 4.15Å; Y52-L124 PolarHBondContact OH-N 3.48Å; P122-L124 PolarHBondContact O-N 3.39Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 3.38Å; L124-N127 PolarHBondContact O-N 3.48Å; L124-N127 VanDerWaalsContact O-N 3.09Å; L124-V128 HydrophobicContact CB-CG2 4.19Å; L124-V128 WeakPolarHBondContact O-CB 3.12Å; L124-V128 WeakPolarHBondContact O-CG2 3.42Å; L124-V128 PolarHBondContact O-N 2.9Å; L124-Q599 HydrophobicContact CD1-CB 3.75Å; L124-Q599 HydrophobicContact CD1-CG 3.58Å; L124-Q599 HydrophobicContact CD2-CB 4.23Å; L124-Q599 HydrophobicContact CG-CB 3.9Å; L124-Q599 HydrophobicContact CG-CG 4.13Å; L124-L641 HydrophobicContact CD1-CB 4.21Å; L124-L641 HydrophobicContact CD1-CD2 4.05Å; L124-L641 HydrophobicContact CD2-CD1 4.21Å; L124-F645 HydrophobicContact CD1-CD2 3.32Å; L124-F645 HydrophobicContact CD1-CE2 3.67Å; L124-F645 HydrophobicContact CD1-CG 4.11Å
125C94.9Very high90.4Very high5 Ų535.3 Ų35.33%0.03417%0.167CC..Hα-helixtrans-52.3-45.9-177.4-171.40000112.2A35 Y39 T121 R123 L129A35-C125 VanDerWaalsContact CB-SG 3.55Å; Y39-C125 WeakPolarHBondContact CD2-SG 3.16Å; Y39-C125 HydrophobicContact CE2-CB 4.17Å; Y39-C125 WeakPolarHBondContact CE2-SG 3.42Å; T121-C125 HydrophobicContact CG2-CB 3.86Å; R123-C125 VanDerWaalsContact C-N 3.32Å; R123-C125 PolarHBondContact O-N 2.68Å; C125-L129 WeakPolarHBondContact O-CB 3.37Å; C125-L129 PolarHBondContact O-N 3.25Å
126R96.1Very high92.1Very high40 Ų4028.8 Ų28.815%0.15114%0.144CC..Hα-helixtrans-61.4-52.8174.3176.9177.1173.2159.2-3.5112E32 F77 G78 L124 V128 L129 V130E32-R126 IonicContact OE1-CZ 3.26Å; E32-R126 IonicContact OE1-NE 2.88Å; E32-R126 IonicContact OE1-NH1 3.53Å; E32-R126 PolarHBondContact OE1-NH1 3.21Å; F77-R126 HydrophobicContact CD1-CG 4.14Å; F77-R126 HydrophobicContact CE1-CG 4.09Å; G78-R126 VanDerWaalsContact O-CZ 3.24Å; G78-R126 PolarHBondContact O-NH1 3.07Å; G78-R126 PolarHBondContact O-NH2 3.39Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 3.38Å; R126-V128 VanDerWaalsContact C-N 3.32Å; R126-V128 PolarHBondContact O-N 3.24Å; R126-L129 PolarHBondContact O-N 2.99Å; R126-V130 WeakPolarHBondContact O-CG2 3.46Å; R126-V130 PolarHBondContact O-N 3.27Å
127N97.3Very high93.2Very high33 Ų3332.7 Ų32.718%0.17617%0.174CC..Hα-helixtrans-61.1-42-177.1-57.485.5000112.1L124 V130 E131 L641L124-N127 PolarHBondContact O-N 3.48Å; L124-N127 VanDerWaalsContact O-N 3.09Å; N127-V130 WeakPolarHBondContact O-CB 3.29Å; N127-V130 PolarHBondContact O-N 3.06Å; N127-E131 WeakPolarHBondContact O-CG 3.37Å; N127-E131 PolarHBondContact O-N 3.27Å; N127-L641 HydrophobicContact CB-CD1 3.44Å; N127-L641 VanDerWaalsContact CB-CD1 3.44Å
128V97.7Very high94.2Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-68.3-39.2178.9169.90000110.9Y52 F55 L124 R126 V130 E131 I132 L641 W642Y52-V128 HydrophobicContact CD1-CB 4.19Å; Y52-V128 HydrophobicContact CD1-CG1 4.45Å; Y52-V128 HydrophobicContact CD1-CG2 3.69Å; Y52-V128 HydrophobicContact CE1-CG2 4.34Å; Y52-V128 HydrophobicContact CG-CG2 3.96Å; F55-V128 HydrophobicContact CD1-CB 4.28Å; F55-V128 HydrophobicContact CD1-CG1 3.65Å; F55-V128 HydrophobicContact CE1-CB 4.35Å; F55-V128 HydrophobicContact CE1-CG1 4.03Å; L124-V128 HydrophobicContact CB-CG2 4.19Å; L124-V128 WeakPolarHBondContact O-CB 3.12Å; L124-V128 WeakPolarHBondContact O-CG2 3.42Å; L124-V128 PolarHBondContact O-N 2.9Å; R126-V128 VanDerWaalsContact C-N 3.32Å; R126-V128 PolarHBondContact O-N 3.24Å; V128-V130 VanDerWaalsContact C-N 3.32Å; V128-V130 PolarHBondContact O-N 3.41Å; V128-E131 PolarHBondContact O-N 3Å; V128-I132 HydrophobicContact CG1-CD1 3.73Å; V128-I132 HydrophobicContact CG1-CG1 4.33Å; V128-I132 WeakPolarHBondContact O-CD1 3.47Å; V128-I132 WeakPolarHBondContact O-CG1 3.48Å; V128-I132 PolarHBondContact O-N 2.74Å; V128-L641 HydrophobicContact CG2-CB 4.05Å; V128-W642 HydrophobicContact CG1-CB 3.81Å; V128-W642 HydrophobicContact CG2-CB 4.15Å
129L98.2Very high94.9Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-58.7-45.5172.9-17959.5000111A31 F34 A35 F55 V59 F77 C125 R126 E131 I132 L133A31-L129 HydrophobicContact CB-CD2 4.38Å; A31-L129 WeakPolarHBondContact O-CD2 3.33Å; F34-L129 HydrophobicContact CD1-CD1 4.31Å; F34-L129 HydrophobicContact CD1-CD2 4.09Å; F34-L129 HydrophobicContact CE1-CD1 4.18Å; A35-L129 HydrophobicContact CB-CD2 3.81Å; F55-L129 HydrophobicContact CE1-CB 4.21Å; F55-L129 HydrophobicContact CZ-CB 4.24Å; F55-L129 HydrophobicContact CZ-CD1 4.5Å; V59-L129 HydrophobicContact CG1-CD1 3.93Å; V59-L129 HydrophobicContact CG2-CD1 4.3Å; F77-L129 HydrophobicContact CE1-CD2 4.11Å; F77-L129 HydrophobicContact CZ-CD2 3.88Å; F77-L129 HydrophobicContact CZ-CG 4.05Å; C125-L129 WeakPolarHBondContact O-CB 3.37Å; C125-L129 PolarHBondContact O-N 3.25Å; R126-L129 PolarHBondContact O-N 2.99Å; L129-E131 VanDerWaalsContact C-N 3.35Å; L129-E131 PolarHBondContact O-N 3.4Å; L129-I132 WeakPolarHBondContact O-CB 3.3Å; L129-I132 PolarHBondContact O-N 3.45Å; L129-L133 HydrophobicContact CD1-CD1 4.19Å; L129-L133 HydrophobicContact CD1-CD2 4.39Å; L129-L133 HydrophobicContact CD1-CG 4.08Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 HydrophobicContact CG-CG 4.28Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.03Å
130V98.1Very high95.6Very high12 Ų1228.8 Ų28.87%0.07315%0.154CC..Hα-helixtrans-58.4-45.4175.7171.80000111.7F77 R126 N127 V128 I132 L133 K134 Y140 L380F77-V130 HydrophobicContact CE1-CG2 4.03Å; F77-V130 HydrophobicContact CE2-CG2 4.1Å; F77-V130 HydrophobicContact CZ-CG2 3.69Å; R126-V130 WeakPolarHBondContact O-CG2 3.46Å; R126-V130 PolarHBondContact O-N 3.27Å; N127-V130 WeakPolarHBondContact O-CB 3.29Å; N127-V130 PolarHBondContact O-N 3.06Å; V128-V130 VanDerWaalsContact C-N 3.32Å; V128-V130 PolarHBondContact O-N 3.41Å; V130-I132 VanDerWaalsContact C-N 3.31Å; V130-I132 PolarHBondContact O-N 3.28Å; V130-L133 PolarHBondContact O-N 2.68Å; V130-K134 VanDerWaalsContact O-CB 3.26Å; V130-K134 WeakPolarHBondContact O-CB 3.36Å; V130-K134 PolarHBondContact O-N 2.99Å; V130-Y140 HydrophobicContact CG1-CE2 3.76Å; V130-Y140 HydrophobicContact CG2-CE2 4.48Å; V130-L380 HydrophobicContact CG1-CB 4.26Å; V130-L380 HydrophobicContact CG2-CB 4.06Å; V130-L380 HydrophobicContact CG2-CD1 3.54Å; V130-L380 HydrophobicContact CG2-CG 4.42Å
131E97.3Very high95.9Very high23 Ų2328.7 Ų28.711%0.10715%0.153CC..Hα-helixtrans-59.5-42176.5-72.2176.7169.600111.6N127 V128 L129 E135 K606 L641 W642N127-E131 WeakPolarHBondContact O-CG 3.37Å; N127-E131 PolarHBondContact O-N 3.27Å; V128-E131 PolarHBondContact O-N 3Å; L129-E131 VanDerWaalsContact C-N 3.35Å; L129-E131 PolarHBondContact O-N 3.4Å; E131-E135 WeakPolarHBondContact O-CB 3.49Å; E131-E135 WeakPolarHBondContact O-CG 3.41Å; E131-E135 PolarHBondContact O-N 2.7Å; E131-K606 IonicContact OE1-NZ 3.48Å; E131-K606 PolarHBondContact OE1-NZ 3.01Å; E131-L641 VanDerWaalsContact CD-N 3.3Å; E131-L641 WeakPolarHBondContact OE1-CG 3.47Å; E131-L641 PolarHBondContact OE1-N 3.31Å; E131-L641 PolarHBondContact OE2-N 2.95Å; E131-W642 VanDerWaalsContact OE2-CD1 3.27Å; E131-W642 PolarHBondContact OE2-N 3.04Å
132I97.1Very high96.1Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-63-48.7177.1-65.9158.7000111.6F55 K56 V59 L63 V128 L129 V130 E135 S136F55-I132 HydrophobicContact CD1-CD1 4.23Å; F55-I132 HydrophobicContact CE1-CD1 4.22Å; K56-I132 HydrophobicContact CB-CD1 3.94Å; K56-I132 HydrophobicContact CB-CG1 4.12Å; K56-I132 HydrophobicContact CG-CD1 4.35Å; K56-I132 HydrophobicContact CG-CG1 4.01Å; V59-I132 HydrophobicContact CB-CD1 4.23Å; V59-I132 HydrophobicContact CB-CG2 4.26Å; V59-I132 HydrophobicContact CG1-CG2 3.73Å; V59-I132 HydrophobicContact CG2-CD1 4.33Å; L63-I132 HydrophobicContact CD1-CG2 4.23Å; V128-I132 HydrophobicContact CG1-CD1 3.73Å; V128-I132 HydrophobicContact CG1-CG1 4.33Å; V128-I132 WeakPolarHBondContact O-CD1 3.47Å; V128-I132 WeakPolarHBondContact O-CG1 3.48Å; V128-I132 PolarHBondContact O-N 2.74Å; L129-I132 WeakPolarHBondContact O-CB 3.3Å; L129-I132 PolarHBondContact O-N 3.45Å; V130-I132 VanDerWaalsContact C-N 3.31Å; V130-I132 PolarHBondContact O-N 3.28Å; I132-E135 PolarHBondContact O-N 2.93Å; I132-S136 VanDerWaalsContact O-CB 3.28Å; I132-S136 WeakPolarHBondContact O-CB 3.11Å; I132-S136 PolarHBondContact O-N 3.49Å; I132-S136 PolarHBondContact O-OG 2.89Å
133L97.4Very high96.1Very high0 Ų028.3 Ų28.30%015%0.151CC..Hα-helixtrans-63.6-44.4-178.8-64.9173.2000110.9L63 F75 F77 L129 V130 S136 S137 I138 Y140L63-L133 HydrophobicContact CD1-CD2 4.5Å; L63-L133 HydrophobicContact CD2-CD2 4.39Å; F75-L133 HydrophobicContact CB-CD1 3.71Å; F75-L133 HydrophobicContact CD1-CD1 4.04Å; F75-L133 HydrophobicContact CD1-CD2 4.46Å; F75-L133 HydrophobicContact CD2-CD1 3.97Å; F75-L133 HydrophobicContact CD2-CD2 3.51Å; F75-L133 HydrophobicContact CD2-CG 4.4Å; F75-L133 HydrophobicContact CE1-CD2 4.43Å; F75-L133 HydrophobicContact CE2-CD2 3.46Å; F75-L133 VanDerWaalsContact CE2-CD2 3.46Å; F75-L133 HydrophobicContact CG-CD1 3.64Å; F75-L133 HydrophobicContact CG-CD2 4.03Å; F75-L133 HydrophobicContact CZ-CD2 3.95Å; F77-L133 HydrophobicContact CE2-CD1 3.88Å; F77-L133 HydrophobicContact CZ-CD1 3.95Å; L129-L133 HydrophobicContact CD1-CD1 4.19Å; L129-L133 HydrophobicContact CD1-CD2 4.39Å; L129-L133 HydrophobicContact CD1-CG 4.08Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 HydrophobicContact CG-CG 4.28Å; L129-L133 VanDerWaalsContact O-CG 3.26Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.03Å; V130-L133 PolarHBondContact O-N 2.68Å; L133-S136 CarbonylContact O-C 3.55Å; L133-S136 PolarHBondContact O-N 3.21Å; L133-S137 PolarHBondContact O-N 3.33Å; L133-I138 HydrophobicContact CB-CB 4.35Å; L133-I138 HydrophobicContact CD2-CB 3.86Å; L133-I138 HydrophobicContact CD2-CG1 4.37Å; L133-I138 HydrophobicContact CD2-CG2 3.75Å; L133-I138 PolarHBondContact O-N 2.92Å; L133-Y140 HydrophobicContact CB-CD1 3.83Å; L133-Y140 HydrophobicContact CB-CE1 4.38Å; L133-Y140 HydrophobicContact CB-CG 4.42Å; L133-Y140 HydrophobicContact CD1-CG 4.31Å
134K95.8Very high96Very high100 Ų10028.6 Ų28.644%0.43515%0.154SC..Hα-helixtrans-61.4-47.6176.8-174.7173.7-174.2165.50112.2V130 S136 S137 Y140V130-K134 VanDerWaalsContact O-CB 3.26Å; V130-K134 WeakPolarHBondContact O-CB 3.36Å; V130-K134 PolarHBondContact O-N 2.99Å; K134-S136 PolarHBondContact O-N 3.38Å; K134-S137 PolarHBondContact O-N 3.15Å; K134-Y140 HydrophobicContact CB-CE1 4.03Å
135E94.5Very high95.8Very high94 Ų9430.8 Ų30.844%0.43916%0.163SC..Hα-helixtrans-64.3-31.2177.3-73.3173.8-14800112.4K56 E131 I132 S137 W642K56-E135 IonicContact NZ-OE1 3.57Å; K56-E135 IonicContact NZ-OE2 3.91Å; K56-E135 PolarHBondContact NZ-OE2 3.38Å; E131-E135 WeakPolarHBondContact O-CB 3.49Å; E131-E135 WeakPolarHBondContact O-CG 3.41Å; E131-E135 PolarHBondContact O-N 2.7Å; I132-E135 PolarHBondContact O-N 2.93Å; E135-S137 VanDerWaalsContact C-N 3.34Å; E135-W642 PolarHBondContact OE1-NE1 3.32Å
136S94.6Very high95.5Very high43 Ų4333.1 Ų33.130%0.30117%0.173SC..THydrogen-bonded Turntrans-88.62.5178.9-54.80000113.7H60 I132 L133 K134 I138H60-S136 PolarHBondContact NE2-OG 3.12Å; I132-S136 VanDerWaalsContact O-CB 3.28Å; I132-S136 WeakPolarHBondContact O-CB 3.11Å; I132-S136 PolarHBondContact O-N 3.49Å; I132-S136 PolarHBondContact O-OG 2.89Å; L133-S136 CarbonylContact O-C 3.55Å; L133-S136 PolarHBondContact O-N 3.21Å; K134-S136 PolarHBondContact O-N 3.38Å; S136-I138 PolarHBondContact O-N 3.45Å
137S94.9Very high95.3Very high107 Ų10731.4 Ų31.475%0.74817%0.167SC*.THydrogen-bonded Turntrans51.934.3-174.1-52.60000114L133 K134 E135L133-S137 PolarHBondContact O-N 3.33Å; K134-S137 PolarHBondContact O-N 3.15Å; E135-S137 VanDerWaalsContact C-N 3.34Å
138I95.9Very high94.9Very high33 Ų3331.3 Ų31.317%0.16917%0.167CC..  trans-85.1132.4176.2-61.1-61.6000109.3L63 P73 F75 L133 S136 Y140L63-I138 HydrophobicContact CD1-CG1 3.95Å; L63-I138 HydrophobicContact CD2-CD1 4.33Å; L63-I138 HydrophobicContact CD2-CG1 4.03Å; P73-I138 HydrophobicContact CG-CD1 4.3Å; P73-I138 HydrophobicContact CG-CG2 4Å; P73-I138 WeakPolarHBondContact O-CG2 3.31Å; F75-I138 HydrophobicContact CD2-CG2 3.75Å; F75-I138 HydrophobicContact CE2-CG2 3.9Å; L133-I138 HydrophobicContact CB-CB 4.35Å; L133-I138 HydrophobicContact CD2-CB 3.86Å; L133-I138 HydrophobicContact CD2-CG1 4.37Å; L133-I138 HydrophobicContact CD2-CG2 3.75Å; L133-I138 PolarHBondContact O-N 2.92Å; S136-I138 PolarHBondContact O-N 3.45Å; I138-Y140 WeakPolarHBondContact O-CD1 3.45Å; I138-Y140 PolarHBondContact O-N 3.37Å
139P96Very high94.5Very high37 Ų3733 Ų3324%0.2418%0.176CC..  trans-58.2128.7177.2-2534.4000112.3I74 F75 L313I74-P139 HydrophobicContact CG2-CB 4.47Å; F75-P139 PolarHBondContact N-O 2.97Å; P139-L313 HydrophobicContact CB-CD2 4.33Å
140Y96.6Very high94.1Very high14 Ų1434.1 Ų34.16%0.05518%0.182CC..EExtended strand (participates in β ladder)trans-149.8152.6171.475.2-86.7000111.5F75 F77 V130 L133 K134 I138 F379F75-Y140 CarbonylContact O-C 3.59Å; F75-Y140 WeakPolarHBondContact O-CA 3.21Å; F75-Y140 WeakPolarHBondContact O-CB 3.27Å; F77-Y140 HydrophobicContact CD2-CD2 4.28Å; F77-Y140 HydrophobicContact CE2-CD2 4.04Å; F77-Y140 HydrophobicContact CE2-CG 4.33Å; V130-Y140 HydrophobicContact CG1-CE2 3.76Å; V130-Y140 HydrophobicContact CG2-CE2 4.48Å; L133-Y140 HydrophobicContact CB-CD1 3.83Å; L133-Y140 HydrophobicContact CB-CE1 4.38Å; L133-Y140 HydrophobicContact CB-CG 4.42Å; L133-Y140 HydrophobicContact CD1-CG 4.31Å; K134-Y140 HydrophobicContact CB-CE1 4.03Å; I138-Y140 WeakPolarHBondContact O-CD1 3.45Å; I138-Y140 PolarHBondContact O-N 3.37Å; Y140-F379 HydrophobicContact CE2-CB 4.45Å; Y140-F379 HydrophobicContact CE2-CD1 4.16Å; Y140-F379 WeakPolarHBondContact CE2-O 3.38Å; Y140-F379 WeakPolarHBondContact O-CE1 3.45Å; Y140-F379 PolarHBondContact OH-O 3.49Å; Y140-F379 VanDerWaalsContact OH-O 3.1Å
141I95.4Very high93.9Very high2 Ų233.5 Ų33.51%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-154.7149.1176.3-165.8159.7000110.8F75 I76 F77 L309 E312 L313 K378F75-I141 PolarHBondContact O-N 2.91Å; I76-I141 WeakPolarHBondContact CA-O 3.49Å; I76-I141 HydrophobicContact CD1-CG2 3.64Å; F77-I141 PolarHBondContact N-O 3.17Å; I141-L309 HydrophobicContact CD1-CD1 3.83Å; I141-L309 HydrophobicContact CG1-CD1 4.35Å; I141-L309 HydrophobicContact CG2-CD1 3.7Å; I141-L309 HydrophobicContact CG2-CD2 4.29Å; I141-L309 HydrophobicContact CG2-CG 4.17Å; I141-E312 HydrophobicContact CD1-CB 4.19Å; I141-E312 WeakPolarHBondContact CD1-OE2 3.38Å; I141-L313 HydrophobicContact CB-CD2 3.94Å; I141-L313 HydrophobicContact CG2-CD1 4.05Å; I141-L313 HydrophobicContact CG2-CD2 3.88Å; I141-L313 HydrophobicContact CG2-CG 4.12Å; I141-K378 HydrophobicContact CD1-CB 4.45Å; I141-K378 HydrophobicContact CD1-CD 4.31Å; I141-K378 HydrophobicContact CG1-CB 4.09Å
142A95.4Very high93.7Very high2 Ų232.7 Ų32.72%0.01718%0.175CC..EExtended strand (participates in β ladder)trans-99134171.400000111F77 K378 L380F77-A142 HydrophobicContact CB-CB 4.07Å; F77-A142 CarbonylContact O-C 3.35Å; F77-A142 VanDerWaalsContact O-CA 3.3Å; F77-A142 WeakPolarHBondContact O-CA 3.47Å; A142-K378 WeakPolarHBondContact CB-O 3.34Å; A142-K378 PolarHBondContact N-O 3.39Å; A142-L380 HydrophobicContact CB-CD1 4.22Å; A142-L380 HydrophobicContact CB-CD2 3.53Å; A142-L380 HydrophobicContact CB-CG 3.78Å
143C93.6Very high93.4Very high11 Ų1133.1 Ų33.17%0.07418%0.177CC..  trans-65.9158.6166.4-60.40000110.1I76 F77 G79 R145 T150 F377I76-C143 VanDerWaalsContact CG2-SG 3.53Å; F77-C143 PolarHBondContact O-N 3.45Å; G79-C143 WeakPolarHBondContact CA-O 3.19Å; G79-C143 PolarHBondContact N-O 3.3Å; C143-R145 VanDerWaalsContact C-N 3.3Å; C143-R145 WeakPolarHBondContact CB-O 2.88Å; C143-T150 VanDerWaalsContact SG-CB 3.5Å; C143-T150 WeakPolarHBondContact SG-CG2 3.44Å; C143-F377 WeakPolarHBondContact O-CE1 3.28Å
144E93.1Very high93.2Very high44 Ų4433.1 Ų33.121%0.20618%0.177CC..SBendtrans-60.5-44.5171.7-172.9-172.9146.600111.1G79 C80 S364 I365 F366G79-E144 WeakPolarHBondContact CA-O 3.35Å; C80-E144 PolarHBondContact N-O 3.17Å; E144-S364 VanDerWaalsContact CD-OG 3.31Å; E144-S364 WeakPolarHBondContact OE1-CA 3.19Å; E144-S364 PolarHBondContact OE1-OG 3.47Å; E144-S364 PolarHBondContact OE2-OG 3.46Å; E144-I365 HydrophobicContact CG-CB 4.03Å; E144-I365 HydrophobicContact CG-CD1 4.15Å; E144-I365 HydrophobicContact CG-CG1 4.26Å; E144-I365 WeakPolarHBondContact OE1-CB 3.35Å; E144-I365 WeakPolarHBondContact OE1-CG1 3.22Å; E144-I365 PolarHBondContact OE1-N 3.12Å; E144-F366 HydrophobicContact CB-CD2 4.36Å; E144-F366 HydrophobicContact CB-CE2 3.64Å; E144-F366 HydrophobicContact CB-CZ 3.83Å; E144-F366 HydrophobicContact CG-CD2 4.22Å; E144-F366 HydrophobicContact CG-CE1 4.24Å; E144-F366 HydrophobicContact CG-CE2 3.83Å; E144-F366 HydrophobicContact CG-CZ 3.84Å
145R92.6Very high93Very high47 Ų4728.5 Ų28.518%0.17716%0.158CC..SBendtrans-123.2-139.2179-58.5-171.9-175.6-913.2110.8G78 G79 C80 H81 Q83 C143 Y391G78-R145 CarbonylContact C-O 3.58Å; G79-R145 PolarHBondContact N-O 3.3Å; C80-R145 CarbonylContact O-C 3.15Å; C80-R145 WeakPolarHBondContact O-CA 3.11Å; H81-R145 PolarHBondContact O-NH1 3.46Å; H81-R145 VanDerWaalsContact O-NH1 3.15Å; Q83-R145 VanDerWaalsContact CA-NH1 3.28Å; C143-R145 VanDerWaalsContact C-N 3.3Å; C143-R145 WeakPolarHBondContact CB-O 2.88Å; R145-Y391 PolarHBondContact NH1-O 3.07Å
146E88.7Confident92.8Very high54 Ų5426.2 Ų26.225%0.25215%0.148SC..  trans-62.8151.8-179.3-58.7-156.814300113.1P82 K87P82-E146 HydrophobicContact CG-CG 3.77Å; K87-E146 WeakPolarHBondContact CD-OE1 3.23Å; K87-E146 WeakPolarHBondContact CE-OE1 3.38Å; K87-E146 IonicContact NZ-OE1 3.92Å; K87-E146 PolarHBondContact NZ-OE1 3.39Å
147A90.4Very high92.6Very high4 Ų426.5 Ų26.53%0.03314%0.143CC..SBendtrans-93.2-22.3-172.800000113.7I76 I149 T150 V151I76-A147 HydrophobicContact CG2-CB 4.07Å; A147-I149 PolarHBondContact O-N 3.23Å; A147-T150 CarbonylContact O-C 3.59Å; A147-T150 PolarHBondContact O-N 2.86Å; A147-V151 HydrophobicContact CB-CG2 4.18Å; A147-V151 WeakPolarHBondContact O-CB 3.46Å; A147-V151 VanDerWaalsContact O-CG2 3.3Å; A147-V151 WeakPolarHBondContact O-CG2 3.44Å; A147-V151 PolarHBondContact O-N 2.97Å
148D90.4Very high92.4Very high31 Ų3122.8 Ų22.817%0.16612%0.115CC..Hα-helixtrans-59.1-51.3-161-58.9-7.2000112.9T150 V151 A152 F169 Y172D148-T150 PolarHBondContact O-N 2.96Å; D148-V151 PolarHBondContact O-N 3.4Å; D148-A152 PolarHBondContact O-N 3.12Å; D148-A152 VanDerWaalsContact O-N 3.14Å; D148-F169 HydrophobicContact CB-CZ 4.24Å; D148-F169 VanDerWaalsContact O-CE1 3.27Å; D148-F169 WeakPolarHBondContact O-CE1 3.42Å; D148-Y172 HydrophobicContact CB-CE2 4.02Å
149I89.2Confident92.1Very high36 Ų3628.1 Ų28.119%0.18513%0.133CC..Hα-helixtrans-63.3-42.7176.9-168.1170.9000111.7A147 V151 A152 E153 Y172 L301 L302A147-I149 PolarHBondContact O-N 3.23Å; I149-V151 PolarHBondContact O-N 3.46Å; I149-A152 WeakPolarHBondContact O-CB 3.43Å; I149-A152 PolarHBondContact O-N 2.81Å; I149-E153 HydrophobicContact CG1-CG 4.23Å; I149-E153 WeakPolarHBondContact O-CB 3.4Å; I149-E153 VanDerWaalsContact O-CG 3.3Å; I149-E153 WeakPolarHBondContact O-CG 3.43Å; I149-E153 PolarHBondContact O-N 2.93Å; I149-Y172 HydrophobicContact CB-CE1 3.95Å; I149-Y172 HydrophobicContact CG1-CE1 3.93Å; I149-L301 WeakPolarHBondContact CD1-O 3.49Å; I149-L302 HydrophobicContact CG1-CD2 4.42Å
150T89.4Confident91.9Very high22 Ų2226.8 Ų26.814%0.13512%0.124CC..Hα-helixtrans-67.2-37.5-178.1-56.40000112.1C143 A147 D148 A152 E153 L154 L309C143-T150 VanDerWaalsContact SG-CB 3.5Å; C143-T150 WeakPolarHBondContact SG-CG2 3.44Å; A147-T150 CarbonylContact O-C 3.59Å; A147-T150 PolarHBondContact O-N 2.86Å; D148-T150 PolarHBondContact O-N 2.96Å; T150-A152 VanDerWaalsContact C-N 3.32Å; T150-E153 PolarHBondContact O-N 2.68Å; T150-L154 WeakPolarHBondContact O-CB 3.41Å; T150-L154 PolarHBondContact O-N 3.18Å; T150-L309 HydrophobicContact CG2-CD2 3.46Å; T150-L309 VanDerWaalsContact CG2-CD2 3.46Å
151V93.7Very high91.8Very high0 Ų027.1 Ų27.10%013%0.128CC..Hα-helixtrans-57.8-48.4171.4164.90000109.7V28 I76 A147 D148 I149 A155 V162 F169V28-V151 HydrophobicContact CG1-CB 4.38Å; V28-V151 HydrophobicContact CG1-CG1 3.83Å; V28-V151 HydrophobicContact CG1-CG2 4.5Å; I76-V151 HydrophobicContact CB-CG2 3.5Å; I76-V151 HydrophobicContact CG1-CG2 3.89Å; I76-V151 HydrophobicContact CG2-CG2 3.78Å; A147-V151 HydrophobicContact CB-CG2 4.18Å; A147-V151 WeakPolarHBondContact O-CB 3.46Å; A147-V151 VanDerWaalsContact O-CG2 3.3Å; A147-V151 WeakPolarHBondContact O-CG2 3.44Å; A147-V151 PolarHBondContact O-N 2.97Å; D148-V151 PolarHBondContact O-N 3.4Å; I149-V151 PolarHBondContact O-N 3.46Å; V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 3.01Å; V151-A155 VanDerWaalsContact O-N 3.07Å; V151-V162 HydrophobicContact CG1-CB 4.37Å; V151-V162 HydrophobicContact CG1-CG1 3.49Å; V151-V162 VanDerWaalsContact CG1-CG1 3.49Å; V151-V162 HydrophobicContact CG1-CG2 3.89Å; V151-F169 HydrophobicContact CB-CE1 3.65Å; V151-F169 HydrophobicContact CB-CZ 3.8Å; V151-F169 HydrophobicContact CG1-CD1 4.24Å; V151-F169 HydrophobicContact CG1-CE1 3.27Å; V151-F169 HydrophobicContact CG1-CZ 3.52Å; V151-F169 HydrophobicContact CG2-CZ 4.36Å
152A92.8Very high91.7Very high5 Ų529.3 Ų29.34%0.04114%0.141CC..Hα-helixtrans-65.9-45.1-179.900000112.2D148 I149 T150 A155 I156 F169 Y172 L302D148-A152 PolarHBondContact O-N 3.12Å; D148-A152 VanDerWaalsContact O-N 3.14Å; I149-A152 WeakPolarHBondContact O-CB 3.43Å; I149-A152 PolarHBondContact O-N 2.81Å; T150-A152 VanDerWaalsContact C-N 3.32Å; A152-A155 PolarHBondContact O-N 3.15Å; A152-I156 WeakPolarHBondContact O-CB 3.1Å; A152-I156 VanDerWaalsContact O-CG1 3.27Å; A152-I156 WeakPolarHBondContact O-CG1 3.34Å; A152-I156 PolarHBondContact O-N 3.32Å; A152-F169 HydrophobicContact CB-CD1 4.43Å; A152-F169 HydrophobicContact CB-CE1 4.39Å; A152-Y172 VanDerWaalsContact CB-CB 3.48Å; A152-Y172 HydrophobicContact CB-CD1 4.12Å; A152-Y172 HydrophobicContact CB-CD2 4.02Å; A152-Y172 HydrophobicContact CB-CG 3.63Å; A152-L302 HydrophobicContact CB-CD2 3.94Å
153E91.4Very high91.7Very high9 Ų932.3 Ų32.34%0.04216%0.16CC..Hα-helixtrans-62.3-43.2178.8-72173.3158.100112.1I149 T150 I156 Y157 L302 S303 S305I149-E153 HydrophobicContact CG1-CG 4.23Å; I149-E153 WeakPolarHBondContact O-CB 3.4Å; I149-E153 VanDerWaalsContact O-CG 3.3Å; I149-E153 WeakPolarHBondContact O-CG 3.43Å; I149-E153 PolarHBondContact O-N 2.93Å; T150-E153 PolarHBondContact O-N 2.68Å; E153-I156 PolarHBondContact O-N 3.09Å; E153-Y157 WeakPolarHBondContact O-CB 3.2Å; E153-Y157 PolarHBondContact O-N 2.66Å; E153-L302 HydrophobicContact CG-CB 4.38Å; E153-L302 HydrophobicContact CG-CD2 3.65Å; E153-S303 WeakPolarHBondContact OE1-CA 3.42Å; E153-S303 WeakPolarHBondContact OE1-CB 3.49Å; E153-S303 PolarHBondContact OE1-N 3.05Å; E153-S303 PolarHBondContact OE1-OG 3.13Å; E153-S305 WeakPolarHBondContact OE2-CB 3.49Å; E153-S305 PolarHBondContact OE2-OG 3.32Å
154L92.6Very high91.8Very high0 Ų033.5 Ų33.50%017%0.168CC..Hα-helixtrans-62.2-47.4175.6178.764.6000111.2V28 I74 I76 T150 I156 Y157 L158 L309 A310 L313V28-L154 HydrophobicContact CG1-CD2 4.11Å; V28-L154 HydrophobicContact CG2-CB 4.49Å; V28-L154 HydrophobicContact CG2-CD2 3.93Å; V28-L154 HydrophobicContact CG2-CG 3.98Å; I74-L154 HydrophobicContact CG2-CD2 4.07Å; I76-L154 HydrophobicContact CD1-CD2 3.73Å; I76-L154 HydrophobicContact CG1-CD2 4.26Å; T150-L154 WeakPolarHBondContact O-CB 3.41Å; T150-L154 PolarHBondContact O-N 3.18Å; L154-I156 VanDerWaalsContact C-N 3.29Å; L154-I156 PolarHBondContact O-N 3Å; L154-Y157 PolarHBondContact O-N 3.32Å; L154-L158 HydrophobicContact CD1-CD1 3.77Å; L154-L158 HydrophobicContact CD1-CG 3.96Å; L154-L158 HydrophobicContact CD2-CD1 4.41Å; L154-L158 HydrophobicContact CG-CD1 3.87Å; L154-L158 HydrophobicContact CG-CG 4.34Å; L154-L158 WeakPolarHBondContact O-CB 3.48Å; L154-L158 WeakPolarHBondContact O-CG 3.34Å; L154-L158 PolarHBondContact O-N 2.83Å; L154-L309 HydrophobicContact CB-CD2 4.18Å; L154-L309 HydrophobicContact CD1-CB 4.37Å; L154-L309 HydrophobicContact CD2-CD2 3.9Å; L154-L309 HydrophobicContact CG-CD2 4.41Å; L154-A310 HydrophobicContact CD1-CB 3.86Å; L154-L313 HydrophobicContact CD2-CD1 3.91Å
155A92.8Very high91.7Very high3 Ų333.8 Ų33.83%0.02518%0.183CC..Hα-helixtrans-62.7-38.4-179.500000112V28 V151 A152 L158 R159 C160 V162V28-A155 HydrophobicContact CB-CB 4.03Å; V28-A155 HydrophobicContact CG2-CB 3.82Å; V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 3.01Å; V151-A155 VanDerWaalsContact O-N 3.07Å; A152-A155 PolarHBondContact O-N 3.15Å; A155-L158 CarbonylContact O-C 3.51Å; A155-L158 PolarHBondContact O-N 3.01Å; A155-R159 CarbonylContact O-C 3.58Å; A155-R159 WeakPolarHBondContact O-CA 3.3Å; A155-R159 PolarHBondContact O-N 3.22Å; A155-C160 WeakPolarHBondContact CB-O 3.26Å; A155-C160 PolarHBondContact O-N 2.96Å; A155-V162 HydrophobicContact CB-CG2 3.24Å
156I90.2Very high91.6Very high46 Ų4631.8 Ų31.824%0.23618%0.175CC..Hα-helixtrans-65.1-43.4174.2-73169.7000111.2A152 E153 L154 R159 P174 L302A152-I156 WeakPolarHBondContact O-CB 3.1Å; A152-I156 VanDerWaalsContact O-CG1 3.27Å; A152-I156 WeakPolarHBondContact O-CG1 3.34Å; A152-I156 PolarHBondContact O-N 3.32Å; E153-I156 PolarHBondContact O-N 3.09Å; L154-I156 VanDerWaalsContact C-N 3.29Å; L154-I156 PolarHBondContact O-N 3Å; I156-R159 PolarHBondContact O-N 3.26Å; I156-P174 HydrophobicContact CD1-CB 4.25Å; I156-P174 HydrophobicContact CG2-CB 4.26Å; I156-L302 HydrophobicContact CD1-CD1 3.25Å; I156-L302 HydrophobicContact CD1-CD2 4.12Å; I156-L302 HydrophobicContact CD1-CG 4.29Å
157Y89.5Confident91.8Very high49 Ų4929.6 Ų29.619%0.19217%0.166CC..Hα-helixtrans-63-42.1177.2-177.5-95.5000112.3E153 L154 R159 E307 A310 T317 R320E153-Y157 WeakPolarHBondContact O-CB 3.2Å; E153-Y157 PolarHBondContact O-N 2.66Å; L154-Y157 PolarHBondContact O-N 3.32Å; Y157-R159 VanDerWaalsContact C-N 3.26Å; Y157-R159 PolarHBondContact O-N 3.46Å; Y157-E307 HydrophobicContact CD2-CB 3.83Å; Y157-E307 HydrophobicContact CE1-CB 4.49Å; Y157-E307 HydrophobicContact CE2-CB 3.4Å; Y157-E307 HydrophobicContact CE2-CG 3.67Å; Y157-E307 WeakPolarHBondContact OH-CG 3.31Å; Y157-E307 PolarHBondContact OH-OE1 3.02Å; Y157-A310 HydrophobicContact CD1-CB 3.63Å; Y157-A310 HydrophobicContact CE1-CB 3.57Å; Y157-T317 WeakPolarHBondContact OH-CG2 3.34Å; Y157-R320 PolarHBondContact OH-NH2 3.31Å
158L90.2Very high91.9Very high29 Ų2929.9 Ų29.915%0.15217%0.167CC..THydrogen-bonded Turntrans-80.4-4.6176.7-63.4-179.7000113.4P26 V28 I74 L154 A155 C160 A310 F315P26-L158 HydrophobicContact CG-CB 4.48Å; V28-L158 HydrophobicContact CG2-CD1 4.37Å; I74-L158 HydrophobicContact CD1-CD1 3.52Å; L154-L158 HydrophobicContact CD1-CD1 3.77Å; L154-L158 HydrophobicContact CD1-CG 3.96Å; L154-L158 HydrophobicContact CD2-CD1 4.41Å; L154-L158 HydrophobicContact CG-CD1 3.87Å; L154-L158 HydrophobicContact CG-CG 4.34Å; L154-L158 WeakPolarHBondContact O-CB 3.48Å; L154-L158 WeakPolarHBondContact O-CG 3.34Å; L154-L158 PolarHBondContact O-N 2.83Å; A155-L158 CarbonylContact O-C 3.51Å; A155-L158 PolarHBondContact O-N 3.01Å; L158-C160 PolarHBondContact O-N 3.44Å; L158-A310 HydrophobicContact CD2-CB 4.26Å; L158-F315 HydrophobicContact CD2-CB 4.23Å; L158-F315 HydrophobicContact CD2-CG 4.35Å
159R89.8Confident92Very high145 Ų14529.9 Ų29.955%0.54717%0.166SC..THydrogen-bonded Turntrans5434.4-176-56.1-179.6-178.8175.8-0.3113.6A155 I156 Y157 F182A155-R159 CarbonylContact O-C 3.58Å; A155-R159 WeakPolarHBondContact O-CA 3.3Å; A155-R159 PolarHBondContact O-N 3.22Å; I156-R159 PolarHBondContact O-N 3.26Å; Y157-R159 VanDerWaalsContact C-N 3.26Å; Y157-R159 PolarHBondContact O-N 3.46Å; R159-F182 VanDerWaalsContact O-CE2 3.24Å; R159-F182 WeakPolarHBondContact O-CE2 3.46Å
160C92.1Very high92.1Very high10 Ų1029.9 Ų29.97%0.06817%0.165CC..  trans-119.8164.7-17671.90000112.6P26 A155 L158 F182P26-C160 HydrophobicContact CB-CB 4.36Å; P26-C160 HydrophobicContact CG-CB 3.85Å; P26-C160 VanDerWaalsContact O-CB 3.23Å; P26-C160 WeakPolarHBondContact O-CB 3.2Å; A155-C160 WeakPolarHBondContact CB-O 3.26Å; A155-C160 PolarHBondContact O-N 2.96Å; L158-C160 PolarHBondContact O-N 3.44Å; C160-F182 HydrophobicContact CB-CE2 4.1Å
161P94Very high92.3Very high21 Ų2128.9 Ų28.914%0.13616%0.158CC..  trans-69.1152.5178.2-18.832.8000113Y20 L22 Q25 L27 V28 I202Y20-P161 HydrophobicContact CE1-CG 3.78Å; L22-P161 HydrophobicContact CD1-CG 4.38Å; Q25-P161 VanDerWaalsContact NE2-CG 3.29Å; L27-P161 HydrophobicContact CD1-CB 4.06Å; L27-P161 WeakPolarHBondContact CD1-O 3.09Å; V28-P161 PolarHBondContact N-O 3.22Å; V28-P161 VanDerWaalsContact N-O 3.16Å; P161-I202 HydrophobicContact CB-CD1 4.44Å; P161-I202 HydrophobicContact CG-CD1 4.32Å
162V94.8Very high92.2Very high47 Ų4730 Ų3029%0.28516%0.163SC..EExtended strand (participates in β ladder)trans-95.8144.2160.9177.50000109.1V28 V151 A155 F169V28-V162 WeakPolarHBondContact O-CA 3.25Å; V151-V162 HydrophobicContact CG1-CB 4.37Å; V151-V162 HydrophobicContact CG1-CG1 3.49Å; V151-V162 VanDerWaalsContact CG1-CG1 3.49Å; V151-V162 HydrophobicContact CG1-CG2 3.89Å; A155-V162 HydrophobicContact CB-CG2 3.24Å; V162-F169 HydrophobicContact CB-CD1 4.4Å; V162-F169 HydrophobicContact CG1-CD1 3.68Å; V162-F169 HydrophobicContact CG1-CD2 4.45Å; V162-F169 HydrophobicContact CG1-CE1 3.87Å; V162-F169 HydrophobicContact CG1-CG 3.99Å; V162-F169 HydrophobicContact CG1-CZ 4.31Å; V162-F169 HydrophobicContact CG2-CD1 4.47Å
163T94.5Very high91.8Very high65 Ų6530.4 Ų30.440%0.39916%0.163SC..EExtended strand (participates in β ladder)trans-119.7125.7161.8-178.20000111.1L27 V28 I29 D30L27-T163 HydrophobicContact CD1-CG2 4.15Å; L27-T163 HydrophobicContact CD2-CG2 3.77Å; L27-T163 HydrophobicContact CG-CG2 4.07Å; V28-T163 PolarHBondContact O-N 2.95Å; I29-T163 HydrophobicContact CB-CG2 4.16Å; I29-T163 HydrophobicContact CD1-CG2 4.44Å; I29-T163 HydrophobicContact CG1-CG2 3.69Å; I29-T163 HydrophobicContact CG2-CG2 4.08Å; D30-T163 PolarHBondContact N-O 3.02Å
164S94.9Very high91.2Very high37 Ų3731.1 Ų31.126%0.25917%0.169SC..  trans-156.2155.3171-176.90000110D30 D166D30-S164 PolarHBondContact OD2-OG 3.43Å; S164-D166 VanDerWaalsContact C-N 3.27Å; S164-D166 WeakPolarHBondContact OG-CB 3.25Å; S164-D166 PolarHBondContact OG-N 3.37Å
165G91.3Very high90.1Very high49 Ų4935.1 Ų35.151%0.50519%0.19SC..SBendtrans-87.78.6164.100000113.5N33N33-G165 VanDerWaalsContact CG-N 3.27Å; N33-G165 VanDerWaalsContact ND2-C 3.35Å; N33-G165 VanDerWaalsContact OD1-CA 3.28Å; N33-G165 WeakPolarHBondContact OD1-CA 3.29Å; N33-G165 PolarHBondContact OD1-N 3.37Å
166D91.2Very high88.8Confident5 Ų541.5 Ų41.53%0.02722%0.224CC..  trans-86.3126.1167.9-156.8-49.8000110.3M1 G2 N33 S164 D168 F169M1-D166 HydrophobicContact CB-CB 4.41Å; M1-D166 WeakPolarHBondContact CB-OD2 3.48Å; G2-D166 WeakPolarHBondContact CA-OD1 3.42Å; G2-D166 PolarHBondContact N-OD1 2.92Å; G2-D166 PolarHBondContact N-OD2 3.43Å; G2-D166 VanDerWaalsContact N-OD2 3.17Å; N33-D166 PolarHBondContact ND2-N 3.45Å; S164-D166 VanDerWaalsContact C-N 3.27Å; S164-D166 WeakPolarHBondContact OG-CB 3.25Å; S164-D166 PolarHBondContact OG-N 3.37Å; D166-D168 PolarHBondContact O-N 3.29Å; D166-D168 WeakPolarHBondContact OD1-CB 3.43Å; D166-D168 PolarHBondContact OD1-N 3.44Å; D166-F169 HydrophobicContact CB-CD2 3.95Å; D166-F169 HydrophobicContact CB-CE2 4.04Å
167S92.8Very high87.3Confident9 Ų942.9 Ų42.96%0.06323%0.229CC..G310 helixtrans-76.9-9.4-17950.80000114M1 I3 F169 F170M1-S167 PolarHBondContact O-N 2.85Å; M1-S167 PolarHBondContact O-OG 3.35Å; I3-S167 PolarHBondContact N-OG 3.33Å; I3-S167 VanDerWaalsContact N-OG 3.14Å; I3-S167 PolarHBondContact O-OG 2.88Å; S167-F169 PolarHBondContact O-N 3.02Å; S167-F170 WeakPolarHBondContact O-CD2 3.46Å; S167-F170 PolarHBondContact O-N 3.46Å; S167-F170 VanDerWaalsContact O-N 3.09Å
168D91.4Very high85.7Confident10 Ų1047.6 Ų47.65%0.05326%0.258CS..G310 helixtrans-64.1-26.2177.6-76.822.1000111.6G2 I3 D166 F170 I171 Y172 Y300G2-D168 WeakPolarHBondContact CA-OD1 3.48Å; I3-D168 WeakPolarHBondContact CD1-OD1 3.43Å; I3-D168 VanDerWaalsContact CG1-OD1 3.24Å; I3-D168 WeakPolarHBondContact CG1-OD1 3.46Å; I3-D168 PolarHBondContact N-OD1 3Å; D166-D168 PolarHBondContact O-N 3.29Å; D166-D168 WeakPolarHBondContact OD1-CB 3.43Å; D166-D168 PolarHBondContact OD1-N 3.44Å; D168-F170 PolarHBondContact O-N 3.17Å; D168-F170 VanDerWaalsContact O-N 3.09Å; D168-I171 VanDerWaalsContact O-CB 3.27Å; D168-I171 WeakPolarHBondContact O-CB 3.36Å; D168-I171 PolarHBondContact O-N 3.43Å; D168-Y172 HydrophobicContact CB-CE2 4.3Å; D168-Y172 WeakPolarHBondContact O-CD2 3.38Å; D168-Y172 PolarHBondContact O-N 3.07Å; D168-Y300 HydrophobicContact CB-CE1 4.02Å; D168-Y300 VanDerWaalsContact CG-OH 3.31Å; D168-Y300 PolarHBondContact OD2-OH 3.13Å
169F93Very high84.4Confident30 Ų3049.2 Ų49.213%0.13227%0.265CS..G310 helixtrans-62.2-14.1172.4-70.4-70.8000115.3D30 D148 V151 A152 V162 D166 S167 I171 Y172D30-F169 HydrophobicContact CB-CE2 4.19Å; D30-F169 HydrophobicContact CB-CZ 4.35Å; D148-F169 HydrophobicContact CB-CZ 4.24Å; D148-F169 VanDerWaalsContact O-CE1 3.27Å; D148-F169 WeakPolarHBondContact O-CE1 3.42Å; V151-F169 HydrophobicContact CB-CE1 3.65Å; V151-F169 HydrophobicContact CB-CZ 3.8Å; V151-F169 HydrophobicContact CG1-CD1 4.24Å; V151-F169 HydrophobicContact CG1-CE1 3.27Å; V151-F169 HydrophobicContact CG1-CZ 3.52Å; V151-F169 HydrophobicContact CG2-CZ 4.36Å; A152-F169 HydrophobicContact CB-CD1 4.43Å; A152-F169 HydrophobicContact CB-CE1 4.39Å; V162-F169 HydrophobicContact CB-CD1 4.4Å; V162-F169 HydrophobicContact CG1-CD1 3.68Å; V162-F169 HydrophobicContact CG1-CD2 4.45Å; V162-F169 HydrophobicContact CG1-CE1 3.87Å; V162-F169 HydrophobicContact CG1-CG 3.99Å; V162-F169 HydrophobicContact CG1-CZ 4.31Å; V162-F169 HydrophobicContact CG2-CD1 4.47Å; D166-F169 HydrophobicContact CB-CD2 3.95Å; D166-F169 HydrophobicContact CB-CE2 4.04Å; S167-F169 PolarHBondContact O-N 3.02Å; F169-I171 VanDerWaalsContact C-N 3.3Å; F169-Y172 HydrophobicContact CD1-CD2 4.05Å; F169-Y172 HydrophobicContact CE1-CD2 4.44Å
170F92.5Very high83.2Confident37 Ų3749.6 Ų49.616%0.16227%0.273CS..G310 helixtrans-80-13.8170.8-64.7-64.7000113.8L6 W7 I10 S167 D168 R173 L203 F209L6-F170 HydrophobicContact CD2-CB 4.4Å; W7-F170 AromaticContact CE3-CE2 3.69Å; W7-F170 HydrophobicContact CE3-CE2 3.69Å; W7-F170 AromaticContact CE3-CZ 3.55Å; W7-F170 HydrophobicContact CE3-CZ 3.55Å; W7-F170 HydrophobicContact CZ3-CE2 4.28Å; W7-F170 AromaticContact CZ3-CZ 3.65Å; W7-F170 HydrophobicContact CZ3-CZ 3.65Å; I10-F170 HydrophobicContact CD1-CB 3.74Å; I10-F170 HydrophobicContact CD1-CD1 3.8Å; I10-F170 HydrophobicContact CD1-CD2 3.46Å; I10-F170 VanDerWaalsContact CD1-CD2 3.46Å; I10-F170 HydrophobicContact CD1-CE1 4.28Å; I10-F170 HydrophobicContact CD1-CE2 4Å; I10-F170 HydrophobicContact CD1-CG 3.37Å; I10-F170 HydrophobicContact CD1-CZ 4.39Å; S167-F170 WeakPolarHBondContact O-CD2 3.46Å; S167-F170 PolarHBondContact O-N 3.46Å; S167-F170 VanDerWaalsContact O-N 3.09Å; D168-F170 PolarHBondContact O-N 3.17Å; D168-F170 VanDerWaalsContact O-N 3.09Å; F170-R173 PolarHBondContact O-NE 3.13Å; F170-R173 VanDerWaalsContact O-NE 3.11Å; F170-R173 PolarHBondContact O-NH2 3.24Å; F170-L203 HydrophobicContact CD1-CB 4.36Å; F170-L203 HydrophobicContact CD1-CD1 4.05Å; F170-L203 HydrophobicContact CD1-CD2 4.26Å; F170-L203 HydrophobicContact CD1-CG 4.46Å; F170-L203 HydrophobicContact CE1-CB 4.47Å; F170-L203 HydrophobicContact CE1-CD1 4.45Å; F170-F209 HydrophobicContact CB-CE1 3.99Å
171I93.1Very high82.4Confident0 Ų053.9 Ų53.90%029%0.287CS..THydrogen-bonded Turntrans-91.5-43-179.7-51.5-53.7000110.4I3 L6 D168 F169 R173 F209 Y214 L217 F220 A221 Y300I3-I171 HydrophobicContact CD1-CD1 3.81Å; I3-I171 HydrophobicContact CD1-CG1 3.39Å; L6-I171 HydrophobicContact CD2-CD1 3.98Å; D168-I171 VanDerWaalsContact O-CB 3.27Å; D168-I171 WeakPolarHBondContact O-CB 3.36Å; D168-I171 PolarHBondContact O-N 3.43Å; F169-I171 VanDerWaalsContact C-N 3.3Å; I171-R173 PolarHBondContact O-N 3.02Å; I171-F209 HydrophobicContact CD1-CZ 4.31Å; I171-Y214 PolarHBondContact O-OH 3.5Å; I171-L217 HydrophobicContact CD1-CD1 3.85Å; I171-L217 HydrophobicContact CD1-CG 4.23Å; I171-L217 HydrophobicContact CG2-CG 4.12Å; I171-L217 WeakPolarHBondContact O-CD2 3.33Å; I171-F220 HydrophobicContact CD1-CD1 4.12Å; I171-F220 HydrophobicContact CD1-CE1 4.25Å; I171-A221 HydrophobicContact CD1-CB 4.22Å; I171-A221 HydrophobicContact CG1-CB 4.01Å; I171-A221 HydrophobicContact CG2-CB 4.23Å; I171-Y300 HydrophobicContact CB-CD1 3.82Å; I171-Y300 HydrophobicContact CB-CE1 3.98Å; I171-Y300 HydrophobicContact CB-CG 4.45Å; I171-Y300 HydrophobicContact CG1-CE1 4.33Å; I171-Y300 HydrophobicContact CG2-CD1 3.49Å; I171-Y300 VanDerWaalsContact CG2-CD1 3.49Å; I171-Y300 HydrophobicContact CG2-CD2 4.17Å; I171-Y300 HydrophobicContact CG2-CE1 3.97Å; I171-Y300 HydrophobicContact CG2-CG 3.62Å
172Y90.5Very high81.8Confident25 Ų2556 Ų5610%0.09829%0.294CS..  trans-62.1102.1174.9-63.8-67.8000110.8D148 I149 A152 D168 F169 D299 Y300 L302D148-Y172 HydrophobicContact CB-CE2 4.02Å; I149-Y172 HydrophobicContact CB-CE1 3.95Å; I149-Y172 HydrophobicContact CG1-CE1 3.93Å; A152-Y172 VanDerWaalsContact CB-CB 3.48Å; A152-Y172 HydrophobicContact CB-CD1 4.12Å; A152-Y172 HydrophobicContact CB-CD2 4.02Å; A152-Y172 HydrophobicContact CB-CG 3.63Å; D168-Y172 HydrophobicContact CB-CE2 4.3Å; D168-Y172 WeakPolarHBondContact O-CD2 3.38Å; D168-Y172 PolarHBondContact O-N 3.07Å; F169-Y172 HydrophobicContact CD1-CD2 4.05Å; F169-Y172 HydrophobicContact CE1-CD2 4.44Å; Y172-D299 WeakPolarHBondContact CE1-O 3.44Å; Y172-D299 PolarHBondContact OH-O 3.37Å; Y172-Y300 HydrophobicContact CD1-CD1 4.17Å; Y172-Y300 AromaticContact CE1-CD1 3.75Å; Y172-Y300 HydrophobicContact CE1-CD1 3.75Å; Y172-Y300 HydrophobicContact CE1-CG 4.48Å; Y172-Y300 HydrophobicContact CE2-CD1 4.1Å; Y172-Y300 HydrophobicContact CE2-CE1 4.2Å; Y172-Y300 AromaticContact CZ-CD1 3.68Å; Y172-L302 HydrophobicContact CD1-CD2 3.9Å
173R86.3Confident80.9Confident12 Ų1257.4 Ų57.45%0.04530%0.304CS..  trans-131.8140.3179.4-61.3-177.8-168.9162.16.5111.2F170 I171 F209 L212 Y214 L217 L302F170-R173 PolarHBondContact O-NE 3.13Å; F170-R173 VanDerWaalsContact O-NE 3.11Å; F170-R173 PolarHBondContact O-NH2 3.24Å; I171-R173 PolarHBondContact O-N 3.02Å; R173-F209 PolarHBondContact NH2-O 3.5Å; R173-L212 PolarHBondContact NH1-O 2.92Å; R173-Y214 HydrophobicContact CB-CE2 4.13Å; R173-Y214 WeakPolarHBondContact O-CE2 3.49Å; R173-L217 HydrophobicContact CG-CD2 4.09Å; R173-L302 WeakPolarHBondContact O-CD1 3.45Å
174P78.1Confident80.3Confident24 Ų2456.6 Ų56.616%0.15630%0.3CS..  trans-61.2144.6172.627.5-34.4000110.6I156 D176 Q179I156-P174 HydrophobicContact CD1-CB 4.25Å; I156-P174 HydrophobicContact CG2-CB 4.26Å; P174-D176 VanDerWaalsContact C-N 3.31Å; P174-Q179 HydrophobicContact CG-CG 4.25Å
175N68.9Low79.6Confident84 Ų8455.4 Ų55.445%0.44929%0.292SS..SBendtrans-66.8-35.8176.3-70.4-25.2000111.5
176D65Low79Confident138 Ų13857.8 Ų57.874%0.73830%0.301SS*.SBendtrans-86.6116.9172-80.4-31.1000110.5P174 N178P174-D176 VanDerWaalsContact C-N 3.31Å; D176-N178 PolarHBondContact O-N 2.59Å
177H59.8Low78.5Confident74 Ų7462.8 Ų62.834%0.34333%0.326SS..  trans-74.8-2.4-174.1-58.5-51.8000114.3Q179 Y210 K213H177-Q179 PolarHBondContact O-N 2.82Å; H177-Y210 AromaticContact ND1-CE1 3.8Å; H177-Y210 PolarHBondContact ND1-OH 3.44Å; H177-K213 PolarHBondContact CD2-NZ 2.93Å; H177-K213 WeakPolarHBondContact NE2-CE 3.31Å; H177-K213 PolarHBondContact NE2-NZ 3.45Å
178N55.7Low77.6Confident148 Ų14864.3 Ų64.379%0.79134%0.336SS*.  trans-96.958.9-175.5-72.9-6.7000112.2D176 E180D176-N178 PolarHBondContact O-N 2.59Å; N178-E180 PolarHBondContact O-N 3.5Å
179Q62Low76.4Confident64 Ų6472.4 Ų72.430%0.29937%0.374SS..  trans-84.2105.7164.5-81.5-173.5-16.200109.8P174 H177 R181P174-Q179 HydrophobicContact CG-CG 4.25Å; H177-Q179 PolarHBondContact O-N 2.82Å; Q179-R181 PolarHBondContact O-N 3.35Å
180E65.6Low75.1Confident153 Ų15373.9 Ų73.972%0.71538%0.383SS*.PPolyproline II helixtrans-56.1127.3165.6-74.4-178.8165.300109.4N178N178-E180 PolarHBondContact O-N 3.5Å
181R75.7Confident73.4Confident100 Ų10080 Ų8038%0.37742%0.417SS..PPolyproline II helixtrans-84145.3174.2-65.6-179.4179.1-170.6-4.8108.5Y20 Q179 I202 L203Y20-R181 HydrophobicContact CE2-CB 4.49Å; Q179-R181 PolarHBondContact O-N 3.35Å; R181-I202 VanDerWaalsContact NH1-CG2 3.33Å; R181-L203 PolarHBondContact NH2-O 3.36Å
182F80.9Confident72.2Confident65 Ų6584.2 Ų84.229%0.28546%0.461SS..PPolyproline II helixtrans-55145.4168.1-71.3-94.7000111Q25 P26 R159 C160Q25-F182 HydrophobicContact CB-CB 4.4Å; Q25-F182 HydrophobicContact CB-CD1 3.69Å; Q25-F182 HydrophobicContact CB-CD2 3.83Å; Q25-F182 HydrophobicContact CB-CE1 3.82Å; Q25-F182 HydrophobicContact CB-CE2 3.95Å; Q25-F182 HydrophobicContact CB-CG 3.71Å; Q25-F182 HydrophobicContact CB-CZ 3.96Å; Q25-F182 HydrophobicContact CG-CD2 4.49Å; P26-F182 HydrophobicContact CG-CZ 4.45Å; R159-F182 VanDerWaalsContact O-CE2 3.24Å; R159-F182 WeakPolarHBondContact O-CE2 3.46Å; C160-F182 HydrophobicContact CB-CE2 4.1Å
183P77Confident71.4Confident76 Ų7685.3 Ų85.349%0.49448%0.475SS..PPolyproline II helixtrans-63.6147.5-17926.6-34000111.3H23H23-P183 PolarHBondContact CD2-O 3.01Å; H23-P183 PolarHBondContact NE2-O 3.13Å
184P81.1Confident71Confident48 Ų4888.9 Ų88.931%0.31250%0.5SS..PPolyproline II helixtrans-68.3159.6174.129.1-35000111.7E21 S186 I187E21-P184 HydrophobicContact CB-CB 4.49Å; E21-P184 WeakPolarHBondContact OE2-CB 3.46Å; P184-S186 PolarHBondContact O-N 3.39Å; P184-S186 VanDerWaalsContact O-N 3.14Å; P184-I187 HydrophobicContact CG-CD1 3.77Å; P184-I187 HydrophobicContact CG-CG1 4.01Å; P184-I187 PolarHBondContact O-N 2.91Å
185C80.8Confident71.4Confident12 Ų1289.7 Ų89.78%0.08151%0.506CS..G310 helixtrans-61.4-28.9-176.9170.90000112E21 H23 I187 C188 C195 F197E21-C185 PolarHBondContact OE2-N 3.34Å; H23-C185 HydrophobicContact CB-CB 4.16Å; H23-C185 PolarHBondContact CD2-N 3.27Å; H23-C185 VanDerWaalsContact CD2-N 3.32Å; H23-C185 WeakPolarHBondContact NE2-CA 2.92Å; C185-I187 PolarHBondContact O-N 3.02Å; C185-I187 VanDerWaalsContact O-N 3.14Å; C185-C188 WeakPolarHBondContact O-CB 3.33Å; C185-C188 PolarHBondContact O-N 2.62Å; C185-C195 WeakPolarHBondContact CB-SG 3.2Å; C185-C195 VanDerWaalsContact SG-C 3.51Å; C185-C195 WeakPolarHBondContact SG-CB 3.34Å; C185-C195 CovalentContact SG-SG 2.06Å; C185-C195 PolarHBondContact SG-SG 3.26Å; C185-F197 HydrophobicContact CB-CB 3.98Å; C185-F197 HydrophobicContact CB-CD1 3.85Å; C185-F197 HydrophobicContact CB-CG 4.26Å
186S78Confident72.5Confident99 Ų9991.6 Ų91.669%0.69251%0.507SS*.G310 helixtrans-57.2-23.317552.60000115.2P184P184-S186 PolarHBondContact O-N 3.39Å; P184-S186 VanDerWaalsContact O-N 3.14Å
187I80.5Confident73.9Confident111 Ų11189.2 Ų89.257%0.56949%0.491SS*.G310 helixtrans-99.7-5-179.7-52.2175.9000110.9P184 C185 Q189P184-I187 HydrophobicContact CG-CD1 3.77Å; P184-I187 HydrophobicContact CG-CG1 4.01Å; P184-I187 PolarHBondContact O-N 2.91Å; C185-I187 PolarHBondContact O-N 3.02Å; C185-I187 VanDerWaalsContact O-N 3.14Å; I187-Q189 PolarHBondContact O-N 3.18Å; I187-Q189 VanDerWaalsContact O-N 3.13Å
188C74.8Confident75.5Confident40 Ų4087.7 Ų87.727%0.2749%0.485SS..  trans-76.1106.8-175.1-1570000111.8H23 C185 L190H23-C188 VanDerWaalsContact CE1-SG 3.6Å; C185-C188 WeakPolarHBondContact O-CB 3.33Å; C185-C188 PolarHBondContact O-N 2.62Å; C188-L190 HydrophobicContact CB-CD1 4.47Å; C188-L190 PolarHBondContact O-N 3.34Å; C188-L190 WeakPolarHBondContact SG-CD1 3.28Å
189Q65.9Low77.3Confident181 Ų18185 Ų8585%0.84648%0.478SS*.  trans-84.557.3179.1-63.6-177.4200112I187 D191I187-Q189 PolarHBondContact O-N 3.18Å; I187-Q189 VanDerWaalsContact O-N 3.13Å; Q189-D191 PolarHBondContact O-N 3Å
190L64.4Low78.9Confident60 Ų6084.2 Ų84.231%0.31448%0.478SS..  trans-82.399.7173.7-77.6153.9000109.6C188 G192 A193C188-L190 HydrophobicContact CB-CD1 4.47Å; C188-L190 PolarHBondContact O-N 3.34Å; C188-L190 WeakPolarHBondContact SG-CD1 3.28Å; L190-G192 PolarHBondContact O-N 3.32Å; L190-A193 PolarHBondContact O-N 2.95Å
191D57.2Low80.2Confident165 Ų16580.8 Ų80.888%0.88247%0.468SS*.THydrogen-bonded Turntrans-46.8105.3-179.6-76.3-32000112.5Q189 A193Q189-D191 PolarHBondContact O-N 3Å; D191-A193 PolarHBondContact O-N 3.46Å
192G68Low81Confident90 Ų9077.8 Ų77.893%0.92846%0.459SS*.THydrogen-bonded Turntrans84.4-2.816600000118L190L190-G192 PolarHBondContact O-N 3.32Å
193A73.1Confident81.5Confident47 Ų4776 Ų7639%0.38845%0.452SS..SBendtrans-108.6140.2178.300000112.3L190 D191 C195L190-A193 PolarHBondContact O-N 2.95Å; D191-A193 PolarHBondContact O-N 3.46Å; A193-C195 PolarHBondContact O-N 3.49Å
194P79.5Confident82.2Confident87 Ų8774 Ų7457%0.56544%0.438SS*.  trans-61.8125.5174.123.1-30.4000110.9Y196P194-Y196 HydrophobicContact CB-CE2 3.73Å; P194-Y196 HydrophobicContact CG-CE2 3.82Å
195C86.5Confident82.5Confident41 Ų4174.5 Ų74.528%0.27744%0.438SS..  trans-86.6128.7171.8179.60000109.3C185 A193C185-C195 WeakPolarHBondContact CB-SG 3.2Å; C185-C195 VanDerWaalsContact SG-C 3.51Å; C185-C195 WeakPolarHBondContact SG-CB 3.34Å; C185-C195 CovalentContact SG-SG 2.06Å; C185-C195 PolarHBondContact SG-SG 3.26Å; A193-C195 PolarHBondContact O-N 3.49Å
196Y91.3Very high82.8Confident125 Ų12579.1 Ų79.149%0.4947%0.47SS..  trans-118.1153.4175.4-62.4-81.9000109.7I68 P194I68-Y196 HydrophobicContact CG2-CD2 3.53Å; I68-Y196 HydrophobicContact CG2-CE2 4.21Å; I68-Y196 HydrophobicContact CG2-CG 3.72Å; P194-Y196 HydrophobicContact CB-CE2 3.73Å; P194-Y196 HydrophobicContact CG-CE2 3.82Å
197F93.6Very high83.4Confident88 Ų8874.5 Ų74.539%0.38644%0.438SS..  trans-141.4157.6175.764-89.3000110.5E21 L22 H23 C69 C185E21-F197 HydrophobicContact CB-CB 4.09Å; E21-F197 HydrophobicContact CB-CD2 3.78Å; E21-F197 HydrophobicContact CB-CE2 4.41Å; E21-F197 HydrophobicContact CB-CG 3.98Å; E21-F197 HydrophobicContact CG-CD2 3.66Å; E21-F197 HydrophobicContact CG-CE2 3.77Å; E21-F197 HydrophobicContact CG-CG 4.12Å; E21-F197 HydrophobicContact CG-CZ 4.31Å; L22-F197 WeakPolarHBondContact O-CA 3.07Å; H23-F197 HydrophobicContact CB-CB 3.79Å; C69-F197 VanDerWaalsContact SG-C 3.55Å; C185-F197 HydrophobicContact CB-CB 3.98Å; C185-F197 HydrophobicContact CB-CD1 3.85Å; C185-F197 HydrophobicContact CB-CG 4.26Å
198I94.5Very high84Confident42 Ų4271.2 Ų71.222%0.21542%0.424CS..EExtended strand (participates in β ladder)trans-95.7116.5169.3-57.1176.5000107.7L22 Q65 F66 C69 C200L22-I198 HydrophobicContact CB-CB 4.17Å; L22-I198 WeakPolarHBondContact CB-O 3.5Å; L22-I198 HydrophobicContact CD2-CB 4.31Å; L22-I198 HydrophobicContact CD2-CD1 4.31Å; L22-I198 PolarHBondContact N-O 3.48Å; L22-I198 PolarHBondContact O-N 3.12Å; Q65-I198 HydrophobicContact CB-CD1 4.39Å; F66-I198 HydrophobicContact CD1-CD1 3.49Å; F66-I198 VanDerWaalsContact CD1-CD1 3.49Å; F66-I198 HydrophobicContact CE1-CD1 3.73Å; C69-I198 HydrophobicContact CB-CG1 4.16Å; I198-C200 PolarHBondContact O-N 2.9Å
199S94.1Very high84.9Confident92 Ų9269.4 Ų69.464%0.64341%0.412SS*.EExtended strand (participates in β ladder)trans-71.9121.4174.9-179.60000110.1
200C93.9Very high86.1Confident47 Ų4761.8 Ų61.832%0.31838%0.375SS..EExtended strand (participates in β ladder)trans-142.9-173.3175.465.10000111.8Y20 I198Y20-C200 PolarHBondContact N-O 3.08Å; Y20-C200 PolarHBondContact O-N 3.28Å; I198-C200 PolarHBondContact O-N 2.9Å
201T93.4Very high87.4Confident80 Ų8065.6 Ų65.649%0.49139%0.389SS..EExtended strand (participates in β ladder)trans-122.5141.4174.953.60000110S18S18-T201 CarbonylContact O-C 3.55Å; S18-T201 VanDerWaalsContact O-CA 3.25Å; S18-T201 WeakPolarHBondContact O-CA 3.5Å
202I92.6Very high89Confident38 Ų3857.9 Ų57.920%0.19535%0.348CS..EExtended strand (participates in β ladder)trans-122.9154.1176.9-164.7167.3000110.1L17 S18 Y20 P161 R181 N204L17-I202 CarbonylContact C-O 3.58Å; L17-I202 WeakPolarHBondContact CA-O 3.41Å; S18-I202 PolarHBondContact N-O 3.2Å; S18-I202 PolarHBondContact O-N 3.37Å; Y20-I202 HydrophobicContact CD2-CD1 4.36Å; Y20-I202 HydrophobicContact CD2-CG2 4Å; Y20-I202 HydrophobicContact CE2-CD1 4.42Å; Y20-I202 HydrophobicContact CG-CB 4.25Å; Y20-I202 HydrophobicContact CG-CG2 4.1Å; P161-I202 HydrophobicContact CB-CD1 4.44Å; P161-I202 HydrophobicContact CG-CD1 4.32Å; R181-I202 VanDerWaalsContact NH1-CG2 3.33Å; I202-N204 PolarHBondContact O-N 2.99Å
203L92.2Very high89.9Confident26 Ų2657.4 Ų57.414%0.13632%0.32CS..EExtended strand (participates in β ladder)trans-57.7131.4172.9-172.470.5000110.2I10 N16 F170 R181 F209 Y210I10-L203 HydrophobicContact CG2-CD1 4.34Å; N16-L203 WeakPolarHBondContact O-CD1 3.37Å; F170-L203 HydrophobicContact CD1-CB 4.36Å; F170-L203 HydrophobicContact CD1-CD1 4.05Å; F170-L203 HydrophobicContact CD1-CD2 4.26Å; F170-L203 HydrophobicContact CD1-CG 4.46Å; F170-L203 HydrophobicContact CE1-CB 4.47Å; F170-L203 HydrophobicContact CE1-CD1 4.45Å; R181-L203 PolarHBondContact NH2-O 3.36Å; L203-F209 HydrophobicContact CD1-CD1 4.08Å; L203-Y210 HydrophobicContact CD2-CD2 4.15Å; L203-Y210 HydrophobicContact CD2-CE2 4.47Å
204N90.2Very high90.4Very high36 Ų3656 Ų5619%0.19331%0.305CS..  trans-86.3121.8179-1742000110.4D15 N16 S18 I202 S206 G207D15-N204 VanDerWaalsContact O-CB 3.31Å; D15-N204 WeakPolarHBondContact O-CB 3.14Å; D15-N204 PolarHBondContact O-ND2 3.44Å; N16-N204 WeakPolarHBondContact O-CB 3.28Å; N16-N204 PolarHBondContact O-N 3.34Å; S18-N204 VanDerWaalsContact OG-CB 3.3Å; S18-N204 WeakPolarHBondContact OG-CB 3.26Å; S18-N204 VanDerWaalsContact OG-CG 3.25Å; I202-N204 PolarHBondContact O-N 2.99Å; N204-S206 PolarHBondContact O-N 3.47Å; N204-S206 VanDerWaalsContact O-N 3.16Å; N204-S206 PolarHBondContact OD1-N 2.98Å; N204-G207 PolarHBondContact O-N 3.48Å
205N87.6Confident90.6Very high58 Ų5852.1 Ų52.131%0.3128%0.28SS..THydrogen-bonded Turntrans-67.5-13.9178.3-61.911.5000112.8Y210N205-Y210 HydrophobicContact CB-CD1 4.43Å; N205-Y210 HydrophobicContact CB-CD2 4.35Å; N205-Y210 HydrophobicContact CB-CE1 4.21Å; N205-Y210 HydrophobicContact CB-CE2 4.11Å; N205-Y210 HydrophobicContact CB-CG 4.5Å; N205-Y210 WeakPolarHBondContact O-CB 3.37Å; N205-Y210 WeakPolarHBondContact O-CD1 3.48Å; N205-Y210 VanDerWaalsContact O-CG 3.31Å
206S88.1Confident90.9Very high109 Ų10950.4 Ų50.476%0.76227%0.268SS*.THydrogen-bonded Turntrans-103.2-0.9174.5-57.20000113.6N204N204-S206 PolarHBondContact O-N 3.47Å; N204-S206 VanDerWaalsContact O-N 3.16Å; N204-S206 PolarHBondContact OD1-N 2.98Å
207G90.6Very high90.9Very high2 Ų244.5 Ų44.52%0.02125%0.245CC..SBendtrans-70.6155.9-178.500000112.8D15 N204 F209 Y210D15-G207 VanDerWaalsContact O-CA 3.24Å; D15-G207 WeakPolarHBondContact O-CA 3.47Å; N204-G207 PolarHBondContact O-N 3.48Å; G207-F209 PolarHBondContact O-N 3.01Å; G207-F209 VanDerWaalsContact O-N 3.16Å; G207-Y210 WeakPolarHBondContact O-CB 3.18Å; G207-Y210 PolarHBondContact O-N 3.24Å
208P92.7Very high90.8Very high42 Ų4240.3 Ų40.327%0.27323%0.226SC..G310 helixtrans-51.5-38178.1-30.436.2000115N16 Y210 K211 F261N16-P208 VanDerWaalsContact OD1-CD 3.25Å; N16-P208 WeakPolarHBondContact OD1-CD 3.26Å; P208-Y210 PolarHBondContact O-N 3.35Å; P208-K211 VanDerWaalsContact O-CB 3.3Å; P208-K211 WeakPolarHBondContact O-CB 3.49Å; P208-K211 VanDerWaalsContact O-CG 3.3Å; P208-K211 WeakPolarHBondContact O-CG 3.45Å; P208-K211 PolarHBondContact O-N 3.3Å; P208-F261 WeakPolarHBondContact O-CZ 3.45Å
209F93.3Very high90.7Very high2 Ų238.3 Ų38.31%0.00922%0.216CC..G310 helixtrans-66.7-23.2178-174.2-112.3000113.2L6 Y9 I10 N16 F170 I171 R173 L203 G207 K211 L217 F220 F261L6-F209 HydrophobicContact CD1-CE2 3.86Å; L6-F209 HydrophobicContact CD1-CZ 3.82Å; L6-F209 HydrophobicContact CD2-CZ 4.42Å; Y9-F209 HydrophobicContact CE1-CD2 4.15Å; I10-F209 HydrophobicContact CD1-CD1 3.86Å; I10-F209 HydrophobicContact CD1-CE1 3.65Å; I10-F209 HydrophobicContact CD1-CG 4.47Å; I10-F209 HydrophobicContact CD1-CZ 4.13Å; I10-F209 HydrophobicContact CG1-CD1 3.98Å; I10-F209 HydrophobicContact CG1-CD2 4.38Å; I10-F209 HydrophobicContact CG1-CE1 4.15Å; I10-F209 HydrophobicContact CG1-CG 4.11Å; I10-F209 HydrophobicContact CG1-CZ 4.45Å; N16-F209 VanDerWaalsContact OD1-CB 3.29Å; N16-F209 WeakPolarHBondContact OD1-CB 3.21Å; N16-F209 PolarHBondContact OD1-N 2.88Å; F170-F209 HydrophobicContact CB-CE1 3.99Å; I171-F209 HydrophobicContact CD1-CZ 4.31Å; R173-F209 PolarHBondContact NH2-O 3.5Å; L203-F209 HydrophobicContact CD1-CD1 4.08Å; G207-F209 PolarHBondContact O-N 3.01Å; G207-F209 VanDerWaalsContact O-N 3.16Å; F209-K211 PolarHBondContact O-N 3.08Å; F209-L217 HydrophobicContact CZ-CD1 4.14Å; F209-F220 AromaticContact CE2-CE1 3.82Å; F209-F220 HydrophobicContact CE2-CE1 3.82Å; F209-F220 HydrophobicContact CE2-CZ 4.01Å; F209-F220 HydrophobicContact CZ-CE1 4.03Å; F209-F261 HydrophobicContact CD2-CD2 4.02Å; F209-F261 AromaticContact CD2-CE2 3.55Å; F209-F261 HydrophobicContact CD2-CE2 3.55Å; F209-F261 HydrophobicContact CD2-CZ 4.26Å; F209-F261 HydrophobicContact CE2-CD2 4.1Å; F209-F261 AromaticContact CE2-CE2 3.91Å; F209-F261 HydrophobicContact CE2-CE2 3.91Å; F209-F261 HydrophobicContact CG-CE2 4.44Å
210Y90.6Very high90.7Very high21 Ų2133.9 Ų33.98%0.08219%0.185CC..G310 helixtrans-75-13.7178.3-150.6-90.6000112.9H177 L203 N205 G207 P208 L212H177-Y210 AromaticContact ND1-CE1 3.8Å; H177-Y210 PolarHBondContact ND1-OH 3.44Å; L203-Y210 HydrophobicContact CD2-CD2 4.15Å; L203-Y210 HydrophobicContact CD2-CE2 4.47Å; N205-Y210 HydrophobicContact CB-CD1 4.43Å; N205-Y210 HydrophobicContact CB-CD2 4.35Å; N205-Y210 HydrophobicContact CB-CE1 4.21Å; N205-Y210 HydrophobicContact CB-CE2 4.11Å; N205-Y210 HydrophobicContact CB-CG 4.5Å; N205-Y210 WeakPolarHBondContact O-CB 3.37Å; N205-Y210 WeakPolarHBondContact O-CD1 3.48Å; N205-Y210 VanDerWaalsContact O-CG 3.31Å; G207-Y210 WeakPolarHBondContact O-CB 3.18Å; G207-Y210 PolarHBondContact O-N 3.24Å; P208-Y210 PolarHBondContact O-N 3.35Å; Y210-L212 VanDerWaalsContact C-N 3.26Å; Y210-L212 PolarHBondContact O-N 3.02Å
211K91.7Very high90.7Very high139 Ų13931.7 Ų31.760%0.60417%0.17SC*.G310 helixtrans-62-30.6178.6-66.8179179.4-179.90113.5P208 F209 L265P208-K211 VanDerWaalsContact O-CB 3.3Å; P208-K211 WeakPolarHBondContact O-CB 3.49Å; P208-K211 VanDerWaalsContact O-CG 3.3Å; P208-K211 WeakPolarHBondContact O-CG 3.45Å; P208-K211 PolarHBondContact O-N 3.3Å; F209-K211 PolarHBondContact O-N 3.08Å; K211-L265 HydrophobicContact CB-CD2 4.09Å
212L91.7Very high90.5Very high3 Ų328 Ų282%0.01615%0.147CC..  trans-82.5118.9175.5-161.371.5000109.3R173 Y210 M216 L217 F220 F261 L264 L265R173-L212 PolarHBondContact NH1-O 2.92Å; Y210-L212 VanDerWaalsContact C-N 3.26Å; Y210-L212 PolarHBondContact O-N 3.02Å; L212-M216 HydrophobicContact CD1-CB 3.63Å; L212-M216 HydrophobicContact CD1-CG 4.47Å; L212-M216 HydrophobicContact CG-CB 3.95Å; L212-L217 HydrophobicContact CB-CD1 4.46Å; L212-L217 HydrophobicContact CD2-CD1 4.24Å; L212-L217 HydrophobicContact CG-CB 4.42Å; L212-F220 HydrophobicContact CD2-CB 3.44Å; L212-F220 VanDerWaalsContact CD2-CB 3.44Å; L212-F220 HydrophobicContact CD2-CD1 4.48Å; L212-F220 HydrophobicContact CD2-CD2 4.25Å; L212-F220 HydrophobicContact CD2-CG 3.83Å; L212-F261 HydrophobicContact CB-CD2 4.21Å; L212-F261 HydrophobicContact CB-CE2 3.47Å; L212-F261 VanDerWaalsContact CB-CE2 3.47Å; L212-F261 HydrophobicContact CB-CZ 3.92Å; L212-F261 HydrophobicContact CD2-CD2 3.94Å; L212-F261 HydrophobicContact CD2-CE2 4.04Å; L212-F261 HydrophobicContact CG-CE2 4.34Å; L212-L264 HydrophobicContact CD1-CB 3.99Å; L212-L264 HydrophobicContact CD2-CD1 4.42Å; L212-L265 HydrophobicContact CB-CD2 4.37Å; L212-L265 HydrophobicContact CD1-CD2 3.84Å; L212-L265 HydrophobicContact CD1-CG 4.22Å
213K87.2Confident90.5Very high81 Ų8126.3 Ų26.335%0.35214%0.139SC..  trans-112.5169-174.7-61.1-172.2176.2-161.70111.7H177 M216 L217H177-K213 PolarHBondContact CD2-NZ 2.93Å; H177-K213 WeakPolarHBondContact NE2-CE 3.31Å; H177-K213 PolarHBondContact NE2-NZ 3.45Å; K213-M216 WeakPolarHBondContact O-CA 3.31Å; K213-M216 WeakPolarHBondContact O-CB 3.23Å; K213-M216 PolarHBondContact O-N 3.29Å; K213-L217 PolarHBondContact O-N 3.35Å
214Y84.1Confident90.3Very high16 Ų1626 Ų266%0.06314%0.138CC..THydrogen-bonded Turntrans-59.7140.8168.6-84.4-94.7000110.7I171 R173 L217 P218 Y300 Y341I171-Y214 PolarHBondContact O-OH 3.5Å; R173-Y214 HydrophobicContact CB-CE2 4.13Å; R173-Y214 WeakPolarHBondContact O-CE2 3.49Å; Y214-L217 HydrophobicContact CE2-CD2 4.47Å; Y214-P218 HydrophobicContact CD1-CG 3.53Å; Y214-P218 HydrophobicContact CE1-CG 3.18Å; Y214-P218 HydrophobicContact CG-CG 4.44Å; Y214-Y300 PolarHBondContact OH-O 3.49Å; Y214-Y341 WeakPolarHBondContact O-CD1 3.36Å; Y214-Y341 WeakPolarHBondContact O-CE1 3.19Å
215P83Confident89.9Confident7 Ų724.9 Ų24.95%0.04514%0.135CC..THydrogen-bonded Turncis-89.51.91.436.5-37.9000114.8L217 P218 I270P215-L217 PolarHBondContact O-N 2.88Å; P215-P218 WeakPolarHBondContact O-CD 3.45Å; P215-I270 HydrophobicContact CB-CD1 3.98Å; P215-I270 HydrophobicContact CG-CB 4Å; P215-I270 HydrophobicContact CG-CD1 4.24Å; P215-I270 HydrophobicContact CG-CG2 4.26Å
216M92Very high89.3Confident5 Ų522.9 Ų22.93%0.02512%0.124CC..Hα-helixtrans-68.2-30.5-178.8-67.6-65.7174.100114.1L212 K213 L219 F220 L264 F267 D269 I270 P273L212-M216 HydrophobicContact CD1-CB 3.63Å; L212-M216 HydrophobicContact CD1-CG 4.47Å; L212-M216 HydrophobicContact CG-CB 3.95Å; K213-M216 WeakPolarHBondContact O-CA 3.31Å; K213-M216 WeakPolarHBondContact O-CB 3.23Å; K213-M216 PolarHBondContact O-N 3.29Å; M216-L219 PolarHBondContact O-N 3.44Å; M216-L219 HydrophobicContact SD-CD2 4.45Å; M216-F220 WeakPolarHBondContact O-CB 3.43Å; M216-F220 PolarHBondContact O-N 3.31Å; M216-L264 HydrophobicContact SD-CD2 4.2Å; M216-F267 HydrophobicContact CE-CB 3.66Å; M216-D269 WeakPolarHBondContact CE-O 3.49Å; M216-I270 HydrophobicContact CE-CB 4.33Å; M216-P273 HydrophobicContact CE-CG 3.96Å; M216-P273 HydrophobicContact SD-CG 4.06Å
217L92.2Very high88.1Confident0 Ų019.8 Ų19.80%010%0.099CC..Hα-helixtrans-66.9-46.3-176.717967.4000113.1I171 R173 F209 L212 K213 Y214 P215 F220 A221I171-L217 HydrophobicContact CD1-CD1 3.85Å; I171-L217 HydrophobicContact CD1-CG 4.23Å; I171-L217 HydrophobicContact CG2-CG 4.12Å; I171-L217 WeakPolarHBondContact O-CD2 3.33Å; R173-L217 HydrophobicContact CG-CD2 4.09Å; F209-L217 HydrophobicContact CZ-CD1 4.14Å; L212-L217 HydrophobicContact CB-CD1 4.46Å; L212-L217 HydrophobicContact CD2-CD1 4.24Å; L212-L217 HydrophobicContact CG-CB 4.42Å; K213-L217 PolarHBondContact O-N 3.35Å; Y214-L217 HydrophobicContact CE2-CD2 4.47Å; P215-L217 PolarHBondContact O-N 2.88Å; L217-F220 HydrophobicContact CD1-CD1 4.32Å; L217-F220 WeakPolarHBondContact O-CB 3.42Å; L217-F220 PolarHBondContact O-N 3.42Å; L217-A221 PolarHBondContact O-N 3.03Å
218P91.3Very high86.7Confident0 Ų022.9 Ų22.90%011%0.114CC..Hα-helixtrans-58.1-43.8167.1-29.935.9000113.8Y214 P215 F220 A221 I222 I297 Y300Y214-P218 HydrophobicContact CD1-CG 3.53Å; Y214-P218 HydrophobicContact CE1-CG 3.18Å; Y214-P218 HydrophobicContact CG-CG 4.44Å; P215-P218 WeakPolarHBondContact O-CD 3.45Å; P218-F220 VanDerWaalsContact C-N 3.26Å; P218-F220 PolarHBondContact O-N 3.44Å; P218-A221 VanDerWaalsContact O-CB 3.32Å; P218-A221 WeakPolarHBondContact O-CB 3.32Å; P218-A221 PolarHBondContact O-N 3.09Å; P218-I222 PolarHBondContact O-N 2.9Å; P218-I222 VanDerWaalsContact O-N 3.13Å; P218-I297 HydrophobicContact CB-CB 4.21Å; P218-I297 HydrophobicContact CB-CG1 4.18Å; P218-I297 HydrophobicContact CB-CG2 3.8Å; P218-I297 HydrophobicContact CG-CG2 4.45Å; P218-Y300 HydrophobicContact CB-CD2 4.14Å; P218-Y300 HydrophobicContact CB-CG 4.4Å
219L92.7Very high85.5Confident0 Ų021.2 Ų21.20%010%0.103CC..Hα-helixtrans-58.9-41.9177.5177.660.5000110.7M216 A221 I222 L223 L264 I270 P273 L274 I293 I297M216-L219 PolarHBondContact O-N 3.44Å; M216-L219 HydrophobicContact SD-CD2 4.45Å; L219-A221 VanDerWaalsContact C-N 3.32Å; L219-A221 PolarHBondContact O-N 3.21Å; L219-I222 PolarHBondContact O-N 2.95Å; L219-L223 HydrophobicContact CD1-CD1 4.1Å; L219-L223 HydrophobicContact CD1-CD2 4.14Å; L219-L223 HydrophobicContact CD1-CG 3.91Å; L219-L223 HydrophobicContact CD2-CD1 4.49Å; L219-L223 HydrophobicContact CG-CD1 3.95Å; L219-L223 HydrophobicContact CG-CG 4.18Å; L219-L223 VanDerWaalsContact O-CG 3.28Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 2.61Å; L219-L264 HydrophobicContact CD2-CD2 3.88Å; L219-L264 HydrophobicContact CG-CD2 4.35Å; L219-I270 HydrophobicContact CB-CD1 4.17Å; L219-I270 HydrophobicContact CD2-CD1 4.24Å; L219-I270 HydrophobicContact CD2-CG1 3.81Å; L219-P273 HydrophobicContact CD2-CB 4.19Å; L219-P273 HydrophobicContact CD2-CG 3.91Å; L219-L274 HydrophobicContact CD1-CD2 4.33Å; L219-I293 HydrophobicContact CD1-CG2 3.82Å; L219-I297 HydrophobicContact CB-CD1 4.3Å; L219-I297 HydrophobicContact CB-CG1 4.5Å; L219-I297 HydrophobicContact CD1-CD1 4.29Å
220F94.2Very high84.3Confident0 Ų025.3 Ų25.30%013%0.132CC..Hα-helixtrans-54.2-45.9173161.1-94.7000112.6L6 I171 F209 L212 M216 L217 P218 I222 L223 V224 I257 I260 F261 L264L6-F220 HydrophobicContact CD1-CE1 3.88Å; L6-F220 HydrophobicContact CD1-CZ 3.91Å; L6-F220 HydrophobicContact CD2-CE1 4.43Å; I171-F220 HydrophobicContact CD1-CD1 4.12Å; I171-F220 HydrophobicContact CD1-CE1 4.25Å; F209-F220 AromaticContact CE2-CE1 3.82Å; F209-F220 HydrophobicContact CE2-CE1 3.82Å; F209-F220 HydrophobicContact CE2-CZ 4.01Å; F209-F220 HydrophobicContact CZ-CE1 4.03Å; L212-F220 HydrophobicContact CD2-CB 3.44Å; L212-F220 VanDerWaalsContact CD2-CB 3.44Å; L212-F220 HydrophobicContact CD2-CD1 4.48Å; L212-F220 HydrophobicContact CD2-CD2 4.25Å; L212-F220 HydrophobicContact CD2-CG 3.83Å; M216-F220 WeakPolarHBondContact O-CB 3.43Å; M216-F220 PolarHBondContact O-N 3.31Å; L217-F220 HydrophobicContact CD1-CD1 4.32Å; L217-F220 WeakPolarHBondContact O-CB 3.42Å; L217-F220 PolarHBondContact O-N 3.42Å; P218-F220 VanDerWaalsContact C-N 3.26Å; P218-F220 PolarHBondContact O-N 3.44Å; F220-I222 VanDerWaalsContact C-N 3.33Å; F220-I222 PolarHBondContact O-N 3.28Å; F220-L223 PolarHBondContact O-N 2.66Å; F220-V224 HydrophobicContact CD2-CG2 3.91Å; F220-V224 HydrophobicContact CE1-CG2 4.36Å; F220-V224 HydrophobicContact CE2-CG2 3.53Å; F220-V224 HydrophobicContact CG-CG2 4.47Å; F220-V224 HydrophobicContact CZ-CG2 3.79Å; F220-V224 VanDerWaalsContact O-CG2 3.32Å; F220-V224 WeakPolarHBondContact O-CG2 3.36Å; F220-V224 PolarHBondContact O-N 3.38Å; F220-I257 HydrophobicContact CE2-CG2 3.93Å; F220-I257 HydrophobicContact CZ-CG2 3.74Å; F220-I260 HydrophobicContact CD2-CG2 4Å; F220-F261 HydrophobicContact CD2-CB 4.23Å; F220-F261 HydrophobicContact CD2-CD2 4.27Å; F220-F261 HydrophobicContact CE2-CB 3.89Å; F220-F261 HydrophobicContact CE2-CD2 4.09Å; F220-F261 HydrophobicContact CZ-CD2 4.48Å; F220-L264 HydrophobicContact CB-CD1 3.53Å; F220-L264 HydrophobicContact CD2-CD1 4.44Å
221A92.4Very high83.5Confident0 Ų030.9 Ų30.90%016%0.163CC..Hα-helixtrans-57.8-46.4177.600000111.6I3 I171 L217 P218 L219 L223 G225 Y300I3-A221 HydrophobicContact CD1-CB 3.49Å; I3-A221 VanDerWaalsContact CD1-CB 3.49Å; I3-A221 HydrophobicContact CG1-CB 4.08Å; I171-A221 HydrophobicContact CD1-CB 4.22Å; I171-A221 HydrophobicContact CG1-CB 4.01Å; I171-A221 HydrophobicContact CG2-CB 4.23Å; L217-A221 PolarHBondContact O-N 3.03Å; P218-A221 VanDerWaalsContact O-CB 3.32Å; P218-A221 WeakPolarHBondContact O-CB 3.32Å; P218-A221 PolarHBondContact O-N 3.09Å; L219-A221 VanDerWaalsContact C-N 3.32Å; L219-A221 PolarHBondContact O-N 3.21Å; A221-L223 PolarHBondContact O-N 3.34Å; A221-G225 PolarHBondContact O-N 3.5Å; A221-G225 VanDerWaalsContact O-N 3.08Å; A221-Y300 HydrophobicContact CB-CD2 4.31Å; A221-Y300 HydrophobicContact CB-CE2 3.63Å
222I90.5Very high83.2Confident2 Ų225 Ų251%0.0114%0.138CC..Hα-helixtrans-63.4-42178.7-59.8-43.3000112.1P218 L219 F220 G225 N226 I229 I232 I293 I297 Y300P218-I222 PolarHBondContact O-N 2.9Å; P218-I222 VanDerWaalsContact O-N 3.13Å; L219-I222 PolarHBondContact O-N 2.95Å; F220-I222 VanDerWaalsContact C-N 3.33Å; F220-I222 PolarHBondContact O-N 3.28Å; I222-G225 PolarHBondContact O-N 2.92Å; I222-N226 VanDerWaalsContact CD1-ND2 3.29Å; I222-N226 WeakPolarHBondContact CD1-ND2 3.47Å; I222-I229 HydrophobicContact CD1-CD1 4.19Å; I222-I229 HydrophobicContact CG2-CB 4.25Å; I222-I229 HydrophobicContact CG2-CD1 3.77Å; I222-I229 HydrophobicContact CG2-CG2 4.06Å; I222-I232 HydrophobicContact CG2-CD1 3.79Å; I222-I293 HydrophobicContact CG2-CG2 4.49Å; I222-I297 HydrophobicContact CG1-CG1 4.37Å; I222-Y300 HydrophobicContact CD1-CE2 4.03Å
223L91.4Very high83.1Confident3 Ų330.9 Ų30.92%0.01616%0.16CC..Hα-helixtrans-74.5-33.5-177.4-63.6-176.9000113.8L219 F220 A221 G225 I232 L234 I260 W263 L264 I277L219-L223 HydrophobicContact CD1-CD1 4.1Å; L219-L223 HydrophobicContact CD1-CD2 4.14Å; L219-L223 HydrophobicContact CD1-CG 3.91Å; L219-L223 HydrophobicContact CD2-CD1 4.49Å; L219-L223 HydrophobicContact CG-CD1 3.95Å; L219-L223 HydrophobicContact CG-CG 4.18Å; L219-L223 VanDerWaalsContact O-CG 3.28Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 2.61Å; F220-L223 PolarHBondContact O-N 2.66Å; A221-L223 PolarHBondContact O-N 3.34Å; L223-G225 VanDerWaalsContact C-N 3.25Å; L223-I232 HydrophobicContact CD2-CB 4.45Å; L223-I232 HydrophobicContact CD2-CG2 3.82Å; L223-L234 HydrophobicContact CB-CD2 4.08Å; L223-L234 HydrophobicContact CD1-CD2 4.48Å; L223-L234 HydrophobicContact CD2-CD2 3.91Å; L223-L234 HydrophobicContact CG-CD2 4.36Å; L223-I260 HydrophobicContact CB-CD1 4.48Å; L223-I260 HydrophobicContact CB-CG2 3.88Å; L223-I260 HydrophobicContact CD1-CG2 4.27Å; L223-W263 HydrophobicContact CD1-CZ3 3.87Å; L223-L264 HydrophobicContact CD1-CD1 4.23Å; L223-L264 HydrophobicContact CD1-CD2 4.15Å; L223-L264 HydrophobicContact CD1-CG 4.5Å; L223-I277 HydrophobicContact CD1-CD1 3.8Å; L223-I277 HydrophobicContact CD2-CD1 3.54Å; L223-I277 HydrophobicContact CD2-CG1 4.43Å; L223-I277 HydrophobicContact CG-CD1 4.29Å
224V89.8Confident83.3Confident21 Ų2128.3 Ų28.313%0.12715%0.15CC..Hα-helixtrans-65.3-39.1171.31730000109.8I3 F220 I257 I260I3-V224 HydrophobicContact CG2-CB 3.88Å; I3-V224 HydrophobicContact CG2-CG1 3.39Å; F220-V224 HydrophobicContact CD2-CG2 3.91Å; F220-V224 HydrophobicContact CE1-CG2 4.36Å; F220-V224 HydrophobicContact CE2-CG2 3.53Å; F220-V224 HydrophobicContact CG-CG2 4.47Å; F220-V224 HydrophobicContact CZ-CG2 3.79Å; F220-V224 VanDerWaalsContact O-CG2 3.32Å; F220-V224 WeakPolarHBondContact O-CG2 3.36Å; F220-V224 PolarHBondContact O-N 3.38Å; V224-I257 HydrophobicContact CG1-CD1 4.26Å; V224-I257 HydrophobicContact CG1-CG1 3.71Å; V224-I257 HydrophobicContact CG2-CG1 4.11Å; V224-I260 HydrophobicContact CG2-CD1 3.98Å; V224-I260 HydrophobicContact CG2-CG2 4.43Å
225G80.7Confident83.7Confident12 Ų1228.3 Ų28.312%0.12415%0.152CC..  trans106.9122.9-176.100000110.3A221 I222 L223 I229A221-G225 PolarHBondContact O-N 3.5Å; A221-G225 VanDerWaalsContact O-N 3.08Å; I222-G225 PolarHBondContact O-N 2.92Å; L223-G225 VanDerWaalsContact C-N 3.25Å; G225-I229 CarbonylContact C-O 3.55Å; G225-I229 WeakPolarHBondContact CA-O 3.41Å
226N75.1Confident84.1Confident15 Ų1533.2 Ų33.28%0.0818%0.182CC..  trans-117.3-169.9176.170.2-1.9000110.3I3 I222 M228 I229 Y300I3-N226 HydrophobicContact CG1-CB 3.92Å; I222-N226 VanDerWaalsContact CD1-ND2 3.29Å; I222-N226 WeakPolarHBondContact CD1-ND2 3.47Å; N226-M228 PolarHBondContact O-N 3.15Å; N226-M228 VanDerWaalsContact O-N 3.17Å; N226-M228 WeakPolarHBondContact OD1-CB 3.34Å; N226-M228 PolarHBondContact OD1-N 3.29Å; N226-I229 PolarHBondContact N-O 3.44Å; N226-I229 PolarHBondContact OD1-N 3.42Å; N226-Y300 PolarHBondContact ND2-OH 3Å
227D62.6Low84.2Confident45 Ų4535.3 Ų35.324%0.24120%0.195CC..SBendtrans-66.3-13-178.7-85.35.5000113.3T90 R94T90-D227 PolarHBondContact OG1-O 3.42Å; T90-D227 VanDerWaalsContact OG1-O 3.09Å; R94-D227 IonicContact NH2-OD1 3.95Å; R94-D227 IonicContact NH2-OD2 3.56Å; R94-D227 PolarHBondContact NH2-OD2 3.33Å
228M61.6Low84.2Confident66 Ų6635.3 Ų35.333%0.32520%0.195SC..SBendtrans-102.9-39-175.7-62.7-72.1-73.800113S86 N226S86-M228 WeakPolarHBondContact OG-CE 3.06Å; S86-M228 PolarHBondContact OG-SD 2.96Å; S86-M228 VanDerWaalsContact OG-SD 3.36Å; N226-M228 PolarHBondContact O-N 3.15Å; N226-M228 VanDerWaalsContact O-N 3.17Å; N226-M228 WeakPolarHBondContact OD1-CB 3.34Å; N226-M228 PolarHBondContact OD1-N 3.29Å
229I67.6Low84.1Confident7 Ų739.5 Ų39.54%0.03622%0.217CC..  trans-136.6124.5-171.4-57.8175.7000109.3I222 G225 N226 I232 E292I222-I229 HydrophobicContact CD1-CD1 4.19Å; I222-I229 HydrophobicContact CG2-CB 4.25Å; I222-I229 HydrophobicContact CG2-CD1 3.77Å; I222-I229 HydrophobicContact CG2-CG2 4.06Å; G225-I229 CarbonylContact C-O 3.55Å; G225-I229 WeakPolarHBondContact CA-O 3.41Å; N226-I229 PolarHBondContact N-O 3.44Å; N226-I229 PolarHBondContact OD1-N 3.42Å; I229-I232 HydrophobicContact CG2-CD1 3.78Å; I229-I232 HydrophobicContact CG2-CG1 3.55Å; I229-E292 HydrophobicContact CD1-CG 3.81Å; I229-E292 VanDerWaalsContact CD1-O 3.22Å; I229-E292 WeakPolarHBondContact CD1-O 3.39Å; I229-E292 HydrophobicContact CG1-CG 4.05Å
230S68.5Low84Confident88 Ų8843 Ų4362%0.61524%0.242SC*.  trans-129.7-6.6-179.174.30000116.3
231N73.7Confident83.8Confident139 Ų13944.3 Ų44.374%0.74325%0.249SC*.  trans-120.828.2-165-66.1-20.5000114.4R233N231-R233 PolarHBondContact O-N 3.16Å
232I85Confident83.7Confident14 Ų1445 Ų457%0.07225%0.252CS..  trans-74.8127.7177.5-56.5-148.5000110.9I222 L223 I229 I277 Y281 I293I222-I232 HydrophobicContact CG2-CD1 3.79Å; L223-I232 HydrophobicContact CD2-CB 4.45Å; L223-I232 HydrophobicContact CD2-CG2 3.82Å; I229-I232 HydrophobicContact CG2-CD1 3.78Å; I229-I232 HydrophobicContact CG2-CG1 3.55Å; I232-I277 HydrophobicContact CG2-CG2 3.68Å; I232-Y281 WeakPolarHBondContact CA-OH 3.44Å; I232-I293 HydrophobicContact CD1-CD1 3.76Å; I232-I293 HydrophobicContact CD1-CG1 3.21Å
233R89.6Confident83.4Confident127 Ų12749 Ų4948%0.47928%0.279SS..  trans-67.6130.8172.2-66.3-179-176.61696.4108.7N231 L280 Y281N231-R233 PolarHBondContact O-N 3.16Å; R233-L280 HydrophobicContact CB-CB 4.16Å; R233-L280 HydrophobicContact CB-CD1 3.93Å; R233-L280 PolarHBondContact NH1-O 3.16Å; R233-L280 WeakPolarHBondContact O-CD1 3.2Å; R233-Y281 HydrophobicContact CB-CE2 3.91Å; R233-Y281 HydrophobicContact CG-CE1 4.13Å; R233-Y281 HydrophobicContact CG-CE2 4.3Å; R233-Y281 PolarHBondContact N-OH 2.88Å
234L91.3Very high83.1Confident27 Ų2753.9 Ų53.914%0.14131%0.309CS..  trans-105.4145.9178.9-62.2-175.9000110.6L223 I238 R256 I260 L280L223-L234 HydrophobicContact CB-CD2 4.08Å; L223-L234 HydrophobicContact CD1-CD2 4.48Å; L223-L234 HydrophobicContact CD2-CD2 3.91Å; L223-L234 HydrophobicContact CG-CD2 4.36Å; L234-I238 HydrophobicContact CB-CB 4.35Å; L234-I238 HydrophobicContact CB-CG1 4.16Å; L234-I238 HydrophobicContact CD1-CG2 4.07Å; L234-R256 VanDerWaalsContact CD1-CZ 3.49Å; L234-I260 HydrophobicContact CD1-CD1 3.61Å; L234-I260 HydrophobicContact CD1-CG1 3.87Å; L234-L280 VanDerWaalsContact C-CD1 3.41Å
235P92.7Very high82.4Confident16 Ų1653.1 Ų53.110%0.10431%0.305CS..  trans-63.4147.7176.8-21.332.8000111.8V237 I238 W263 I277 L280P235-V237 HydrophobicContact CB-CG1 4.14Å; P235-V237 PolarHBondContact O-N 3.41Å; P235-I238 WeakPolarHBondContact O-CB 3.29Å; P235-I238 WeakPolarHBondContact O-CG1 3.3Å; P235-I238 PolarHBondContact O-N 3.01Å; P235-W263 HydrophobicContact CG-CH2 4.08Å; P235-W263 HydrophobicContact CG-CZ2 3.9Å; P235-I277 HydrophobicContact CG-CG1 4.44Å; P235-L280 HydrophobicContact CG-CD1 4.16Å
236T91.6Very high82.3Confident110 Ų11059.1 Ų59.168%0.67534%0.339SS*.Hα-helixtrans-59.2-19.1-176.3530000114.6I238 D239 S240T236-I238 PolarHBondContact O-N 2.99Å; T236-D239 PolarHBondContact O-N 3.24Å; T236-S240 PolarHBondContact O-N 3.44Å; T236-S240 PolarHBondContact O-OG 3.22Å
237V93.2Very high82.4Confident49 Ų4959.8 Ų59.830%0.29734%0.342SS..Hα-helixtrans-60.1-30.7171.372.20000111.8P235 S240 L241 W263P235-V237 HydrophobicContact CB-CG1 4.14Å; P235-V237 PolarHBondContact O-N 3.41Å; V237-S240 WeakPolarHBondContact O-CB 3.25Å; V237-S240 PolarHBondContact O-N 3.33Å; V237-L241 HydrophobicContact CG2-CD1 4.49Å; V237-L241 WeakPolarHBondContact O-CG 3.4Å; V237-L241 PolarHBondContact O-N 3.28Å; V237-W263 VanDerWaalsContact CG1-CD1 3.49Å; V237-W263 HydrophobicContact CG1-CG 4.32Å; V237-W263 VanDerWaalsContact CG1-NE1 3.33Å
238I92.3Very high83.1Confident1 Ų164.2 Ų64.21%0.00536%0.362CS..Hα-helixtrans-65.2-44.8175.4-61.8-58.7000110.4L234 P235 T236 S240 L241 M242 A259 I260 W263L234-I238 HydrophobicContact CB-CB 4.35Å; L234-I238 HydrophobicContact CB-CG1 4.16Å; L234-I238 HydrophobicContact CD1-CG2 4.07Å; P235-I238 WeakPolarHBondContact O-CB 3.29Å; P235-I238 WeakPolarHBondContact O-CG1 3.3Å; P235-I238 PolarHBondContact O-N 3.01Å; T236-I238 PolarHBondContact O-N 2.99Å; I238-S240 PolarHBondContact O-N 3.11Å; I238-L241 HydrophobicContact CD1-CD1 4.49Å; I238-L241 CarbonylContact O-C 3.54Å; I238-L241 WeakPolarHBondContact O-CA 3.37Å; I238-L241 WeakPolarHBondContact O-CB 3.24Å; I238-L241 PolarHBondContact O-N 2.68Å; I238-M242 HydrophobicContact CG2-CG 4.34Å; I238-M242 HydrophobicContact CG2-SD 4.21Å; I238-M242 WeakPolarHBondContact O-CG 3.4Å; I238-M242 PolarHBondContact O-N 3.06Å; I238-A259 HydrophobicContact CG2-CB 4.05Å; I238-I260 HydrophobicContact CD1-CG1 4.4Å; I238-I260 HydrophobicContact CG2-CG1 4.15Å; I238-W263 HydrophobicContact CD1-CB 3.31Å; I238-W263 HydrophobicContact CD1-CD2 3.61Å; I238-W263 HydrophobicContact CD1-CE3 3.84Å; I238-W263 HydrophobicContact CD1-CG 3.4Å; I238-W263 HydrophobicContact CG1-CD2 4.44Å
239D88.8Confident84.1Confident87 Ų8766.6 Ų66.647%0.46539%0.385SS..Hα-helixtrans-60-40.4177.6-59.6-39.5000111T236 L241 M242 C243T236-D239 PolarHBondContact O-N 3.24Å; D239-L241 VanDerWaalsContact C-N 3.34Å; D239-L241 PolarHBondContact O-N 3.15Å; D239-M242 WeakPolarHBondContact O-CB 3.37Å; D239-M242 PolarHBondContact O-N 3.14Å; D239-C243 PolarHBondContact O-N 3.02Å; D239-C243 VanDerWaalsContact O-N 3.1Å; D239-C243 PolarHBondContact O-SG 3.14Å
240S90.8Very high84.9Confident75 Ų7571.6 Ų71.652%0.52440%0.403SS..Hα-helixtrans-62.7-40.6175-56.40000112.1T236 V237 I238 C243 T244T236-S240 PolarHBondContact O-N 3.44Å; T236-S240 PolarHBondContact O-OG 3.22Å; V237-S240 WeakPolarHBondContact O-CB 3.25Å; V237-S240 PolarHBondContact O-N 3.33Å; I238-S240 PolarHBondContact O-N 3.11Å; S240-C243 PolarHBondContact O-N 3.07Å; S240-T244 PolarHBondContact O-N 2.06Å; S240-T244 PolarHBondContact O-OG1 2.94Å
241L91.4Very high85.8Confident27 Ų2770.3 Ų70.314%0.14139%0.394CS..Hα-helixtrans-68.8-34.1175.3-71.7169000112.4V237 I238 D239 C243 T244 S245 A259 W263V237-L241 HydrophobicContact CG2-CD1 4.49Å; V237-L241 WeakPolarHBondContact O-CG 3.4Å; V237-L241 PolarHBondContact O-N 3.28Å; I238-L241 HydrophobicContact CD1-CD1 4.49Å; I238-L241 CarbonylContact O-C 3.54Å; I238-L241 WeakPolarHBondContact O-CA 3.37Å; I238-L241 WeakPolarHBondContact O-CB 3.24Å; I238-L241 PolarHBondContact O-N 2.68Å; D239-L241 VanDerWaalsContact C-N 3.34Å; D239-L241 PolarHBondContact O-N 3.15Å; L241-C243 VanDerWaalsContact C-N 3.33Å; L241-C243 PolarHBondContact O-N 3.13Å; L241-T244 WeakPolarHBondContact CA-OG1 3.35Å; L241-T244 CarbonylContact O-C 3.49Å; L241-T244 PolarHBondContact O-N 3Å; L241-T244 PolarHBondContact O-OG1 3.31Å; L241-S245 PolarHBondContact O-N 3.22Å; L241-A259 HydrophobicContact CB-CB 3.66Å; L241-W263 HydrophobicContact CD1-CB 3.84Å
242M89.2Confident86.4Confident14 Ų1468.6 Ų68.67%0.06938%0.381CS..Hα-helixtrans-66-35.4175.1-71.9-17959.800112.4I238 D239 H252 R256 A259I238-M242 HydrophobicContact CG2-CG 4.34Å; I238-M242 HydrophobicContact CG2-SD 4.21Å; I238-M242 WeakPolarHBondContact O-CG 3.4Å; I238-M242 PolarHBondContact O-N 3.06Å; D239-M242 WeakPolarHBondContact O-CB 3.37Å; D239-M242 PolarHBondContact O-N 3.14Å; M242-H252 WeakPolarHBondContact CE-NE2 3.45Å; M242-R256 HydrophobicContact CE-CB 3.83Å; M242-R256 HydrophobicContact SD-CB 3.96Å; M242-R256 HydrophobicContact SD-CG 4.16Å; M242-A259 HydrophobicContact CB-CB 4.46Å; M242-A259 HydrophobicContact CG-CB 3.51Å
243C85.6Confident86.5Confident87 Ų8772.9 Ų72.959%0.58840%0.398SS*.Hα-helixtrans-71.7-33.3175.4-70.20000112.8D239 S240 L241 Q248D239-C243 PolarHBondContact O-N 3.02Å; D239-C243 VanDerWaalsContact O-N 3.1Å; D239-C243 PolarHBondContact O-SG 3.14Å; S240-C243 PolarHBondContact O-N 3.07Å; L241-C243 VanDerWaalsContact C-N 3.33Å; L241-C243 PolarHBondContact O-N 3.13Å; C243-Q248 PolarHBondContact O-NE2 2.84Å; C243-Q248 VanDerWaalsContact O-NE2 3.11Å
244T84.5Confident86.5Confident104 Ų10467.4 Ų67.464%0.63838%0.377SS*.Hα-helixtrans-96.7-1.4-177.652.80000114S240 L241 V246S240-T244 PolarHBondContact O-N 2.06Å; S240-T244 PolarHBondContact O-OG1 2.94Å; L241-T244 WeakPolarHBondContact CA-OG1 3.35Å; L241-T244 CarbonylContact O-C 3.49Å; L241-T244 PolarHBondContact O-N 3Å; L241-T244 PolarHBondContact O-OG1 3.31Å; T244-V246 PolarHBondContact O-N 3.24Å
245S74.8Confident86.5Confident6 Ų669.3 Ų69.34%0.04238%0.383CS..  trans-55.7134.2179.3177.60000110.7L241 L247 Q248 D258L241-S245 PolarHBondContact O-N 3.22Å; S245-L247 PolarHBondContact O-N 3.04Å; S245-L247 WeakPolarHBondContact OG-CB 3.24Å; S245-L247 PolarHBondContact OG-N 3.26Å; S245-Q248 VanDerWaalsContact O-CG 3.26Å; S245-Q248 WeakPolarHBondContact O-CG 3.27Å; S245-Q248 PolarHBondContact O-N 3.07Å; S245-D258 PolarHBondContact OG-OD2 3.03Å
246V77.6Confident86.5Confident138 Ų13871.3 Ų71.384%0.83639%0.388SS*.THydrogen-bonded Turntrans-59.9-10.1173.3-65.70000112.7T244T244-V246 PolarHBondContact O-N 3.24Å
247L78Confident86.5Confident29 Ų2966.2 Ų66.215%0.15236%0.357CS..THydrogen-bonded Turntrans-94.833.6179-56.4-178.8000113.1Y9 S245 S249 R250 R255 D258Y9-L247 HydrophobicContact CE2-CD1 4.24Å; S245-L247 PolarHBondContact O-N 3.04Å; S245-L247 WeakPolarHBondContact OG-CB 3.24Å; S245-L247 PolarHBondContact OG-N 3.26Å; L247-S249 PolarHBondContact O-N 3.24Å; L247-S249 VanDerWaalsContact O-N 3.09Å; L247-R250 HydrophobicContact CB-CB 3.99Å; L247-R250 HydrophobicContact CB-CG 3.68Å; L247-R250 HydrophobicContact CD2-CG 4.12Å; L247-R250 HydrophobicContact CG-CG 4.35Å; L247-R250 VanDerWaalsContact O-CB 3.24Å; L247-R250 WeakPolarHBondContact O-CB 3.36Å; L247-R250 PolarHBondContact O-N 3.15Å; L247-R255 HydrophobicContact CB-CG 4.28Å; L247-R255 WeakPolarHBondContact O-CG 3.46Å; L247-D258 HydrophobicContact CD1-CB 3.94Å
248Q77Confident86.6Confident138 Ų13864.8 Ų64.865%0.64535%0.347SS*.THydrogen-bonded Turntrans-54.5-31.7-176.3-70.4-160.9-14.700114.6C243 S245 R250C243-Q248 PolarHBondContact O-NE2 2.84Å; C243-Q248 VanDerWaalsContact O-NE2 3.11Å; S245-Q248 VanDerWaalsContact O-CG 3.26Å; S245-Q248 WeakPolarHBondContact O-CG 3.27Å; S245-Q248 PolarHBondContact O-N 3.07Å; Q248-R250 VanDerWaalsContact C-N 3.26Å; Q248-R250 PolarHBondContact O-N 2.97Å
249S82.4Confident86.7Confident116 Ų11664.8 Ų64.881%0.81135%0.347SS*.THydrogen-bonded Turntrans-78-6176.860.20000114.3L247L247-S249 PolarHBondContact O-N 3.24Å; L247-S249 VanDerWaalsContact O-N 3.09Å
250R84.7Confident87Confident111 Ų11160.6 Ų60.642%0.41933%0.325SS..SBendtrans-92.2167.1-176.6-58.5-58.4-169.4155.9-0.2112L247 Q248 Q254L247-R250 HydrophobicContact CB-CB 3.99Å; L247-R250 HydrophobicContact CB-CG 3.68Å; L247-R250 HydrophobicContact CD2-CG 4.12Å; L247-R250 HydrophobicContact CG-CG 4.35Å; L247-R250 VanDerWaalsContact O-CB 3.24Å; L247-R250 WeakPolarHBondContact O-CB 3.36Å; L247-R250 PolarHBondContact O-N 3.15Å; Q248-R250 VanDerWaalsContact C-N 3.26Å; Q248-R250 PolarHBondContact O-N 2.97Å; R250-Q254 HydrophobicContact CB-CB 3.93Å; R250-Q254 VanDerWaalsContact CB-OE1 3.26Å; R250-Q254 VanDerWaalsContact CD-OE1 3.25Å
251S87.7Confident87.2Confident62 Ų6257.4 Ų57.443%0.43430%0.302SS..  trans-60.6155.7179.473.70000112Y253 Q254 R255S251-Y253 PolarHBondContact O-N 2.9Å; S251-Q254 PolarHBondContact O-N 3.39Å; S251-Q254 PolarHBondContact OG-N 2.93Å; S251-R255 PolarHBondContact O-N 3.34Å; S251-R255 VanDerWaalsContact O-N 3.16Å
252H87.2Confident87.3Confident102 Ų10259 Ų5947%0.47231%0.311SS..Hα-helixtrans-51.1-41.7173.8175.2-86.6000112.2M242 Q254 R255 R256M242-H252 WeakPolarHBondContact CE-NE2 3.45Å; H252-Q254 PolarHBondContact O-N 3.45Å; H252-R255 PolarHBondContact O-N 2.77Å; H252-R256 WeakPolarHBondContact O-CB 3.29Å; H252-R256 PolarHBondContact O-N 3.09Å
253Y86Confident87.6Confident105 Ų10558.9 Ų58.941%0.41231%0.309SS..Hα-helixtrans-60.7-43.2177.5-69.2-74.2000112.7R4 S251 R256 I257R4-Y253 PolarHBondContact NH1-OH 2.97Å; S251-Y253 PolarHBondContact O-N 2.9Å; Y253-R256 PolarHBondContact O-N 3.39Å; Y253-I257 VanDerWaalsContact O-CG1 3.28Å; Y253-I257 WeakPolarHBondContact O-CG1 3.22Å; Y253-I257 PolarHBondContact O-N 3.24Å
254Q90.7Very high88.1Confident11 Ų1154.7 Ų54.75%0.05128%0.281CS..Hα-helixtrans-66.5-41.4178.7-71.9-161.5-47.900112.4T8 R250 S251 H252 R256 I257 D258T8-Q254 VanDerWaalsContact C-NE2 3.29Å; T8-Q254 PolarHBondContact O-NE2 3.45Å; R250-Q254 HydrophobicContact CB-CB 3.93Å; R250-Q254 VanDerWaalsContact CB-OE1 3.26Å; R250-Q254 VanDerWaalsContact CD-OE1 3.25Å; S251-Q254 PolarHBondContact O-N 3.39Å; S251-Q254 PolarHBondContact OG-N 2.93Å; H252-Q254 PolarHBondContact O-N 3.45Å; Q254-R256 VanDerWaalsContact C-N 3.34Å; Q254-I257 PolarHBondContact O-N 2.96Å; Q254-D258 WeakPolarHBondContact O-CB 3.45Å; Q254-D258 PolarHBondContact O-N 2.91Å
255R90.9Very high88.6Confident67 Ų6753 Ų5325%0.25327%0.268SS..Hα-helixtrans-64.7-39.1176-68.8-172.6-73150.4-5.4112.2L247 S251 H252 A259L247-R255 HydrophobicContact CB-CG 4.28Å; L247-R255 WeakPolarHBondContact O-CG 3.46Å; S251-R255 PolarHBondContact O-N 3.34Å; S251-R255 VanDerWaalsContact O-N 3.16Å; H252-R255 PolarHBondContact O-N 2.77Å; R255-A259 VanDerWaalsContact O-CB 3.28Å; R255-A259 WeakPolarHBondContact O-CB 3.33Å; R255-A259 PolarHBondContact O-N 2.92Å
256R91.3Very high89.6Confident59 Ų5960 Ų6022%0.22329%0.293CS..Hα-helixtrans-61.8-48175-177.1179175.293.3-4.1111.4L234 M242 H252 Y253 Q254 A259 I260L234-R256 VanDerWaalsContact CD1-CZ 3.49Å; M242-R256 HydrophobicContact CE-CB 3.83Å; M242-R256 HydrophobicContact SD-CB 3.96Å; M242-R256 HydrophobicContact SD-CG 4.16Å; H252-R256 WeakPolarHBondContact O-CB 3.29Å; H252-R256 PolarHBondContact O-N 3.09Å; Y253-R256 PolarHBondContact O-N 3.39Å; Q254-R256 VanDerWaalsContact C-N 3.34Å; R256-A259 PolarHBondContact O-N 3.34Å; R256-I260 HydrophobicContact CG-CD1 3.84Å; R256-I260 VanDerWaalsContact O-CG1 3.3Å; R256-I260 WeakPolarHBondContact O-CG1 3.43Å; R256-I260 PolarHBondContact O-N 3.31Å
257I93.3Very high90.3Very high2 Ų255.3 Ų55.31%0.0126%0.262CS..Hα-helixtrans-59.8-49178.3-70168.1000110.8Y9 F220 V224 Y253 Q254 A259 I260 F261Y9-I257 HydrophobicContact CD1-CG2 3.45Å; Y9-I257 VanDerWaalsContact CD1-CG2 3.45Å; Y9-I257 HydrophobicContact CD2-CB 4.23Å; Y9-I257 HydrophobicContact CD2-CG2 3.77Å; Y9-I257 HydrophobicContact CE1-CG2 3.76Å; Y9-I257 HydrophobicContact CE2-CG2 4.07Å; Y9-I257 HydrophobicContact CG-CB 4.22Å; Y9-I257 HydrophobicContact CG-CG2 3.44Å; Y9-I257 VanDerWaalsContact CG-CG2 3.44Å; F220-I257 HydrophobicContact CE2-CG2 3.93Å; F220-I257 HydrophobicContact CZ-CG2 3.74Å; V224-I257 HydrophobicContact CG1-CD1 4.26Å; V224-I257 HydrophobicContact CG1-CG1 3.71Å; V224-I257 HydrophobicContact CG2-CG1 4.11Å; Y253-I257 VanDerWaalsContact O-CG1 3.28Å; Y253-I257 WeakPolarHBondContact O-CG1 3.22Å; Y253-I257 PolarHBondContact O-N 3.24Å; Q254-I257 PolarHBondContact O-N 2.96Å; I257-A259 PolarHBondContact O-N 3.17Å; I257-I260 PolarHBondContact O-N 2.77Å; I257-F261 VanDerWaalsContact O-CB 3.28Å; I257-F261 WeakPolarHBondContact O-CB 3.39Å; I257-F261 PolarHBondContact O-N 2.95Å
258D93.9Very high90.8Very high19 Ų1964.3 Ų64.310%0.10229%0.294CS..Hα-helixtrans-58.2-45177.8-17560.3000112.1Y9 S245 L247 Q254 F261 N262Y9-D258 HydrophobicContact CE2-CB 3.75Å; Y9-D258 PolarHBondContact OH-OD1 3.05Å; S245-D258 PolarHBondContact OG-OD2 3.03Å; L247-D258 HydrophobicContact CD1-CB 3.94Å; Q254-D258 WeakPolarHBondContact O-CB 3.45Å; Q254-D258 PolarHBondContact O-N 2.91Å; D258-F261 PolarHBondContact O-N 3.43Å; D258-N262 WeakPolarHBondContact O-CB 3.31Å; D258-N262 PolarHBondContact O-N 2.99Å; D258-N262 PolarHBondContact O-ND2 3.25Å; D258-N262 PolarHBondContact OD1-ND2 3.44Å
259A94.5Very high91.3Very high1 Ų159.8 Ų59.81%0.00827%0.274CS..Hα-helixtrans-63.3-46.4179.200000112.5I238 L241 M242 R255 R256 I257 W263I238-A259 HydrophobicContact CG2-CB 4.05Å; L241-A259 HydrophobicContact CB-CB 3.66Å; M242-A259 HydrophobicContact CB-CB 4.46Å; M242-A259 HydrophobicContact CG-CB 3.51Å; R255-A259 VanDerWaalsContact O-CB 3.28Å; R255-A259 WeakPolarHBondContact O-CB 3.33Å; R255-A259 PolarHBondContact O-N 2.92Å; R256-A259 PolarHBondContact O-N 3.34Å; I257-A259 PolarHBondContact O-N 3.17Å; A259-W263 VanDerWaalsContact O-CB 3.24Å; A259-W263 WeakPolarHBondContact O-CB 3.42Å; A259-W263 PolarHBondContact O-N 2.73Å
260I95.2Very high91.8Very high0 Ų054.2 Ų54.20%024%0.235CC..Hα-helixtrans-64-45.5177.6-64.5167000110.2F220 L223 V224 L234 I238 R256 I257 W263 L264F220-I260 HydrophobicContact CD2-CG2 4Å; L223-I260 HydrophobicContact CB-CD1 4.48Å; L223-I260 HydrophobicContact CB-CG2 3.88Å; L223-I260 HydrophobicContact CD1-CG2 4.27Å; V224-I260 HydrophobicContact CG2-CD1 3.98Å; V224-I260 HydrophobicContact CG2-CG2 4.43Å; L234-I260 HydrophobicContact CD1-CD1 3.61Å; L234-I260 HydrophobicContact CD1-CG1 3.87Å; I238-I260 HydrophobicContact CD1-CG1 4.4Å; I238-I260 HydrophobicContact CG2-CG1 4.15Å; R256-I260 HydrophobicContact CG-CD1 3.84Å; R256-I260 VanDerWaalsContact O-CG1 3.3Å; R256-I260 WeakPolarHBondContact O-CG1 3.43Å; R256-I260 PolarHBondContact O-N 3.31Å; I257-I260 PolarHBondContact O-N 2.77Å; I260-W263 PolarHBondContact O-N 3.28Å; I260-L264 HydrophobicContact CG2-CD1 3.98Å; I260-L264 HydrophobicContact CG2-CG 4.45Å; I260-L264 WeakPolarHBondContact O-CG 3.31Å; I260-L264 PolarHBondContact O-N 3.41Å
261F95.1Very high92.2Very high7 Ų752.5 Ų52.53%0.03123%0.232CC..Hα-helixtrans-57.9-51.9178.7-174.4-92.4000111.5P208 F209 L212 F220 I257 D258 W263 L264 L265P208-F261 WeakPolarHBondContact O-CZ 3.45Å; F209-F261 HydrophobicContact CD2-CD2 4.02Å; F209-F261 AromaticContact CD2-CE2 3.55Å; F209-F261 HydrophobicContact CD2-CE2 3.55Å; F209-F261 HydrophobicContact CD2-CZ 4.26Å; F209-F261 HydrophobicContact CE2-CD2 4.1Å; F209-F261 AromaticContact CE2-CE2 3.91Å; F209-F261 HydrophobicContact CE2-CE2 3.91Å; F209-F261 HydrophobicContact CG-CE2 4.44Å; L212-F261 HydrophobicContact CB-CD2 4.21Å; L212-F261 HydrophobicContact CB-CE2 3.47Å; L212-F261 VanDerWaalsContact CB-CE2 3.47Å; L212-F261 HydrophobicContact CB-CZ 3.92Å; L212-F261 HydrophobicContact CD2-CD2 3.94Å; L212-F261 HydrophobicContact CD2-CE2 4.04Å; L212-F261 HydrophobicContact CG-CE2 4.34Å; F220-F261 HydrophobicContact CD2-CB 4.23Å; F220-F261 HydrophobicContact CD2-CD2 4.27Å; F220-F261 HydrophobicContact CE2-CB 3.89Å; F220-F261 HydrophobicContact CE2-CD2 4.09Å; F220-F261 HydrophobicContact CZ-CD2 4.48Å; I257-F261 VanDerWaalsContact O-CB 3.28Å; I257-F261 WeakPolarHBondContact O-CB 3.39Å; I257-F261 PolarHBondContact O-N 2.95Å; D258-F261 PolarHBondContact O-N 3.43Å; F261-W263 VanDerWaalsContact C-N 3.32Å; F261-W263 PolarHBondContact O-N 3.24Å; F261-L264 PolarHBondContact O-N 2.99Å; F261-L265 HydrophobicContact CD1-CD1 3.87Å; F261-L265 HydrophobicContact CD1-CG 4.39Å; F261-L265 HydrophobicContact CE1-CD1 3.5Å; F261-L265 VanDerWaalsContact CE1-CD1 3.5Å; F261-L265 HydrophobicContact CE1-CG 4.16Å; F261-L265 HydrophobicContact CZ-CD1 4.29Å; F261-L265 WeakPolarHBondContact O-CG 3.35Å; F261-L265 PolarHBondContact O-N 2.76Å; F261-L265 VanDerWaalsContact O-N 3.11Å
262N93.8Very high92.5Very high62 Ų6254.7 Ų54.733%0.33224%0.235SC..Hα-helixtrans-69.9-27.5-179.4-71.9-54.5000113.2D258D258-N262 WeakPolarHBondContact O-CB 3.31Å; D258-N262 PolarHBondContact O-N 2.99Å; D258-N262 PolarHBondContact O-ND2 3.25Å; D258-N262 PolarHBondContact OD1-ND2 3.44Å
263W95.7Very high92.9Very high10 Ų1049.8 Ų49.84%0.03821%0.213CC..Hα-helixtrans-68.7-47.6172.4177.966.7000111.3L223 P235 V237 I238 L241 A259 I260 F261 L265 R266 F267 P273 I277L223-W263 HydrophobicContact CD1-CZ3 3.87Å; P235-W263 HydrophobicContact CG-CH2 4.08Å; P235-W263 HydrophobicContact CG-CZ2 3.9Å; V237-W263 VanDerWaalsContact CG1-CD1 3.49Å; V237-W263 HydrophobicContact CG1-CG 4.32Å; V237-W263 VanDerWaalsContact CG1-NE1 3.33Å; I238-W263 HydrophobicContact CD1-CB 3.31Å; I238-W263 HydrophobicContact CD1-CD2 3.61Å; I238-W263 HydrophobicContact CD1-CE3 3.84Å; I238-W263 HydrophobicContact CD1-CG 3.4Å; I238-W263 HydrophobicContact CG1-CD2 4.44Å; L241-W263 HydrophobicContact CD1-CB 3.84Å; A259-W263 VanDerWaalsContact O-CB 3.24Å; A259-W263 WeakPolarHBondContact O-CB 3.42Å; A259-W263 PolarHBondContact O-N 2.73Å; I260-W263 PolarHBondContact O-N 3.28Å; F261-W263 VanDerWaalsContact C-N 3.32Å; F261-W263 PolarHBondContact O-N 3.24Å; W263-L265 VanDerWaalsContact C-N 3.3Å; W263-L265 PolarHBondContact O-N 2.81Å; W263-R266 VanDerWaalsContact O-CB 3.3Å; W263-R266 WeakPolarHBondContact O-CB 3.31Å; W263-R266 WeakPolarHBondContact O-CG 3.27Å; W263-R266 PolarHBondContact O-N 2.82Å; W263-R266 VanDerWaalsContact O-N 3.12Å; W263-F267 AromaticContact CD2-CE2 3.88Å; W263-F267 HydrophobicContact CD2-CE2 3.88Å; W263-F267 AromaticContact CE2-CE2 3.49Å; W263-F267 VanDerWaalsContact CE2-CE2 3.49Å; W263-F267 AromaticContact CE2-CZ 3.8Å; W263-F267 HydrophobicContact CE3-CE2 4.5Å; W263-F267 HydrophobicContact CG-CE2 4.21Å; W263-F267 HydrophobicContact CH2-CE2 4.43Å; W263-F267 AromaticContact CZ2-CE2 3.8Å; W263-F267 HydrophobicContact CZ2-CE2 3.8Å; W263-F267 AromaticContact CZ2-CZ 3.89Å; W263-F267 HydrophobicContact CZ2-CZ 3.89Å; W263-F267 AromaticContact NE1-CE2 3.56Å; W263-F267 AromaticContact NE1-CZ 3.67Å; W263-F267 WeakPolarHBondContact O-CD2 3.15Å; W263-F267 VanDerWaalsContact O-CE2 3.3Å; W263-F267 WeakPolarHBondContact O-CE2 3.49Å; W263-P273 HydrophobicContact CH2-CB 3.56Å; W263-P273 HydrophobicContact CZ2-CB 4.2Å; W263-P273 HydrophobicContact CZ3-CB 3.92Å; W263-I277 HydrophobicContact CH2-CD1 4.15Å; W263-I277 HydrophobicContact CH2-CG1 4.11Å; W263-I277 HydrophobicContact CZ3-CD1 4.3Å
264L96.5Very high93.3Very high0 Ų044.9 Ų44.90%019%0.193CC..Hα-helixtrans-64.4-33.3179.9-72.1174000112.9L212 M216 L219 F220 L223 I260 F261 R266 F267 P273L212-L264 HydrophobicContact CD1-CB 3.99Å; L212-L264 HydrophobicContact CD2-CD1 4.42Å; M216-L264 HydrophobicContact SD-CD2 4.2Å; L219-L264 HydrophobicContact CD2-CD2 3.88Å; L219-L264 HydrophobicContact CG-CD2 4.35Å; F220-L264 HydrophobicContact CB-CD1 3.53Å; F220-L264 HydrophobicContact CD2-CD1 4.44Å; L223-L264 HydrophobicContact CD1-CD1 4.23Å; L223-L264 HydrophobicContact CD1-CD2 4.15Å; L223-L264 HydrophobicContact CD1-CG 4.5Å; I260-L264 HydrophobicContact CG2-CD1 3.98Å; I260-L264 HydrophobicContact CG2-CG 4.45Å; I260-L264 WeakPolarHBondContact O-CG 3.31Å; I260-L264 PolarHBondContact O-N 3.41Å; F261-L264 PolarHBondContact O-N 2.99Å; L264-R266 PolarHBondContact O-N 3.02Å; L264-F267 PolarHBondContact O-N 3.39Å; L264-F267 VanDerWaalsContact O-N 3.1Å; L264-P273 HydrophobicContact CD2-CB 3.89Å; L264-P273 HydrophobicContact CD2-CG 4.2Å
265L94.7Very high93.5Very high68 Ų6848 Ų4836%0.35622%0.217SC..THydrogen-bonded Turntrans-59.4-14.1174.5-77.8179.2000114.5K211 L212 F261 W263 F267K211-L265 HydrophobicContact CB-CD2 4.09Å; L212-L265 HydrophobicContact CB-CD2 4.37Å; L212-L265 HydrophobicContact CD1-CD2 3.84Å; L212-L265 HydrophobicContact CD1-CG 4.22Å; F261-L265 HydrophobicContact CD1-CD1 3.87Å; F261-L265 HydrophobicContact CD1-CG 4.39Å; F261-L265 HydrophobicContact CE1-CD1 3.5Å; F261-L265 VanDerWaalsContact CE1-CD1 3.5Å; F261-L265 HydrophobicContact CE1-CG 4.16Å; F261-L265 HydrophobicContact CZ-CD1 4.29Å; F261-L265 WeakPolarHBondContact O-CG 3.35Å; F261-L265 PolarHBondContact O-N 2.76Å; F261-L265 VanDerWaalsContact O-N 3.11Å; W263-L265 VanDerWaalsContact C-N 3.3Å; W263-L265 PolarHBondContact O-N 2.81Å; L265-F267 VanDerWaalsContact C-N 3.32Å
266R94.6Very high93.7Very high152 Ų15246.9 Ų46.957%0.57422%0.219SC*.THydrogen-bonded Turntrans-80-15178.3-59.2174.4-177.9-162.9-6.3113.1W263 L264W263-R266 VanDerWaalsContact O-CB 3.3Å; W263-R266 WeakPolarHBondContact O-CB 3.31Å; W263-R266 WeakPolarHBondContact O-CG 3.27Å; W263-R266 PolarHBondContact O-N 2.82Å; W263-R266 VanDerWaalsContact O-N 3.12Å; L264-R266 PolarHBondContact O-N 3.02Å
267F93.8Very high93.9Very high41 Ų4144.1 Ų44.118%0.1821%0.209CC..  trans-107144-174.4-55.9-80.9000110.7M216 W263 L264 L265 Q272 P273M216-F267 HydrophobicContact CE-CB 3.66Å; W263-F267 AromaticContact CD2-CE2 3.88Å; W263-F267 HydrophobicContact CD2-CE2 3.88Å; W263-F267 AromaticContact CE2-CE2 3.49Å; W263-F267 VanDerWaalsContact CE2-CE2 3.49Å; W263-F267 AromaticContact CE2-CZ 3.8Å; W263-F267 HydrophobicContact CE3-CE2 4.5Å; W263-F267 HydrophobicContact CG-CE2 4.21Å; W263-F267 HydrophobicContact CH2-CE2 4.43Å; W263-F267 AromaticContact CZ2-CE2 3.8Å; W263-F267 HydrophobicContact CZ2-CE2 3.8Å; W263-F267 AromaticContact CZ2-CZ 3.89Å; W263-F267 HydrophobicContact CZ2-CZ 3.89Å; W263-F267 AromaticContact NE1-CE2 3.56Å; W263-F267 AromaticContact NE1-CZ 3.67Å; W263-F267 WeakPolarHBondContact O-CD2 3.15Å; W263-F267 VanDerWaalsContact O-CE2 3.3Å; W263-F267 WeakPolarHBondContact O-CE2 3.49Å; L264-F267 PolarHBondContact O-N 3.39Å; L264-F267 VanDerWaalsContact O-N 3.1Å; L265-F267 VanDerWaalsContact C-N 3.32Å; F267-Q272 HydrophobicContact CD1-CB 3.62Å; F267-Q272 HydrophobicContact CE1-CB 4.05Å; F267-P273 HydrophobicContact CB-CG 4.32Å; F267-P273 HydrophobicContact CD2-CB 4.05Å; F267-P273 HydrophobicContact CD2-CG 4.21Å; F267-P273 HydrophobicContact CE2-CB 4.15Å; F267-P273 HydrophobicContact CG-CB 4.38Å; F267-P273 HydrophobicContact CG-CG 4.17Å
268R87.1Confident93.9Very high218 Ų21844.8 Ų44.882%0.82321%0.212SC*.SBendtrans-95.8-28.3172.1-66.5-171.7-178.3-167.20.5112.7
269D89.3Confident94Very high42 Ų4247.2 Ų47.223%0.22523%0.23CC..SBendtrans-122.4140.9-174.9158.848000109.6M216 E271 P273M216-D269 WeakPolarHBondContact CE-O 3.49Å; D269-E271 VanDerWaalsContact C-N 3.32Å; D269-E271 PolarHBondContact O-N 3.42Å; D269-E271 PolarHBondContact OD1-N 2.84Å; D269-E271 WeakPolarHBondContact OD2-CB 3.3Å; D269-E271 PolarHBondContact OD2-N 3.49Å; D269-P273 WeakPolarHBondContact O-CD 3.49Å
270I91.6Very high94Very high0 Ų050 Ų500%025%0.245CC..THydrogen-bonded Turntrans-71.2-25.1-175.3-163.9168.9000113P215 M216 L219 Q272 P273 L274 I297P215-I270 HydrophobicContact CB-CD1 3.98Å; P215-I270 HydrophobicContact CG-CB 4Å; P215-I270 HydrophobicContact CG-CD1 4.24Å; P215-I270 HydrophobicContact CG-CG2 4.26Å; M216-I270 HydrophobicContact CE-CB 4.33Å; L219-I270 HydrophobicContact CB-CD1 4.17Å; L219-I270 HydrophobicContact CD2-CD1 4.24Å; L219-I270 HydrophobicContact CD2-CG1 3.81Å; I270-Q272 VanDerWaalsContact C-N 3.28Å; I270-Q272 PolarHBondContact O-N 3.22Å; I270-P273 WeakPolarHBondContact O-CD 3.33Å; I270-P273 VanDerWaalsContact O-CG 3.28Å; I270-P273 WeakPolarHBondContact O-CG 3.32Å; I270-L274 HydrophobicContact CD1-CD1 4.37Å; I270-L274 HydrophobicContact CG1-CD1 3.86Å; I270-L274 HydrophobicContact CG1-CG 4.16Å; I270-L274 HydrophobicContact CG2-CD1 4.37Å; I270-L274 WeakPolarHBondContact O-CB 3.17Å; I270-L274 VanDerWaalsContact O-CG 3.31Å; I270-L274 WeakPolarHBondContact O-CG 3.42Å; I270-L274 PolarHBondContact O-N 3.01Å; I270-L274 VanDerWaalsContact O-N 3.11Å; I270-I297 HydrophobicContact CD1-CD1 3.7Å
271E93.9Very high94Very high74 Ų7450.7 Ų50.735%0.34625%0.248SC..Hα-helixtrans-68.5-29.1-177.2-59.5-61.714200112D269 S275 R294D269-E271 VanDerWaalsContact C-N 3.32Å; D269-E271 PolarHBondContact O-N 3.42Å; D269-E271 PolarHBondContact OD1-N 2.84Å; D269-E271 WeakPolarHBondContact OD2-CB 3.3Å; D269-E271 PolarHBondContact OD2-N 3.49Å; E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 2.83Å; E271-R294 IonicContact OE1-CZ 2.95Å; E271-R294 IonicContact OE1-NH1 3.93Å; E271-R294 PolarHBondContact OE1-NH1 3.29Å; E271-R294 IonicContact OE1-NH2 2.85Å; E271-R294 PolarHBondContact OE1-NH2 3.41Å; E271-R294 IonicContact OE2-NH2 2.92Å; E271-R294 PolarHBondContact OE2-NH2 2.59Å
272Q94.4Very high94Very high108 Ų10853.1 Ų53.151%0.50527%0.265SS..Hα-helixtrans-64.8-54.7176.2-64.9-176-8.100114.1F267 I270 L274 S275 S276F267-Q272 HydrophobicContact CD1-CB 3.62Å; F267-Q272 HydrophobicContact CE1-CB 4.05Å; I270-Q272 VanDerWaalsContact C-N 3.28Å; I270-Q272 PolarHBondContact O-N 3.22Å; Q272-L274 VanDerWaalsContact C-N 3.34Å; Q272-S275 PolarHBondContact O-N 3.49Å; Q272-S276 PolarHBondContact O-N 2.85Å; Q272-S276 VanDerWaalsContact O-N 3.09Å; Q272-S276 PolarHBondContact O-OG 3.02Å
273P95.3Very high93.8Very high0 Ų060.6 Ų60.60%029%0.289CS..Hα-helixtrans-65.4-37.3174.824.5-32.1000111.7M216 L219 W263 L264 F267 D269 I270 S276 I277M216-P273 HydrophobicContact CE-CG 3.96Å; M216-P273 HydrophobicContact SD-CG 4.06Å; L219-P273 HydrophobicContact CD2-CB 4.19Å; L219-P273 HydrophobicContact CD2-CG 3.91Å; W263-P273 HydrophobicContact CH2-CB 3.56Å; W263-P273 HydrophobicContact CZ2-CB 4.2Å; W263-P273 HydrophobicContact CZ3-CB 3.92Å; L264-P273 HydrophobicContact CD2-CB 3.89Å; L264-P273 HydrophobicContact CD2-CG 4.2Å; F267-P273 HydrophobicContact CB-CG 4.32Å; F267-P273 HydrophobicContact CD2-CB 4.05Å; F267-P273 HydrophobicContact CD2-CG 4.21Å; F267-P273 HydrophobicContact CE2-CB 4.15Å; F267-P273 HydrophobicContact CG-CB 4.38Å; F267-P273 HydrophobicContact CG-CG 4.17Å; D269-P273 WeakPolarHBondContact O-CD 3.49Å; I270-P273 WeakPolarHBondContact O-CD 3.33Å; I270-P273 VanDerWaalsContact O-CG 3.28Å; I270-P273 WeakPolarHBondContact O-CG 3.32Å; P273-S276 WeakPolarHBondContact O-CB 3.31Å; P273-S276 PolarHBondContact O-N 3.42Å; P273-I277 WeakPolarHBondContact O-CD1 3.45Å; P273-I277 VanDerWaalsContact O-CG1 3.31Å; P273-I277 WeakPolarHBondContact O-CG1 3.31Å; P273-I277 PolarHBondContact O-N 3.43Å
274L94.2Very high93.6Very high1 Ų168.7 Ų68.71%0.00533%0.329CS..Hα-helixtrans-57.9-50.5174.6-80.8171.9000111.7L219 I270 Q272 S276 I277 L278 I293L219-L274 HydrophobicContact CD1-CD2 4.33Å; I270-L274 HydrophobicContact CD1-CD1 4.37Å; I270-L274 HydrophobicContact CG1-CD1 3.86Å; I270-L274 HydrophobicContact CG1-CG 4.16Å; I270-L274 HydrophobicContact CG2-CD1 4.37Å; I270-L274 WeakPolarHBondContact O-CB 3.17Å; I270-L274 VanDerWaalsContact O-CG 3.31Å; I270-L274 WeakPolarHBondContact O-CG 3.42Å; I270-L274 PolarHBondContact O-N 3.01Å; I270-L274 VanDerWaalsContact O-N 3.11Å; Q272-L274 VanDerWaalsContact C-N 3.34Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 3.38Å; L274-I277 PolarHBondContact O-N 2.65Å; L274-I277 VanDerWaalsContact O-N 3.08Å; L274-L278 WeakPolarHBondContact O-CB 3.39Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 3.11Å; L274-I293 HydrophobicContact CD2-CB 4.33Å; L274-I293 HydrophobicContact CD2-CD1 4.14Å; L274-I293 HydrophobicContact CD2-CG2 3.57Å
275S94.6Very high93.3Very high78 Ų7872.6 Ų72.655%0.54535%0.348SS..Hα-helixtrans-57.7-41.7177.1-173.80000111.8E271 Q272 I277 L278 S279E271-S275 WeakPolarHBondContact O-CB 3.36Å; E271-S275 PolarHBondContact O-N 2.83Å; Q272-S275 PolarHBondContact O-N 3.49Å; S275-I277 VanDerWaalsContact C-N 3.33Å; S275-I277 PolarHBondContact O-N 2.94Å; S275-L278 PolarHBondContact O-N 3Å; S275-S279 WeakPolarHBondContact O-CB 3.34Å; S275-S279 PolarHBondContact O-N 2.89Å
276S95.2Very high93.2Very high43 Ų4374.1 Ų74.130%0.30135%0.349SS..Hα-helixtrans-60.9-41176.2-58.80000112.1Q272 P273 L274 S279Q272-S276 PolarHBondContact O-N 2.85Å; Q272-S276 VanDerWaalsContact O-N 3.09Å; Q272-S276 PolarHBondContact O-OG 3.02Å; P273-S276 WeakPolarHBondContact O-CB 3.31Å; P273-S276 PolarHBondContact O-N 3.42Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 3.38Å; S276-S279 PolarHBondContact O-OG 3.46Å
277I94.7Very high93Very high0 Ų072.8 Ų72.80%035%0.353CS..Hα-helixtrans-69.9-50.1177.2-67.8154.2000111L223 I232 P235 W263 P273 L274 S275 S279 L280 Y281 I293L223-I277 HydrophobicContact CD1-CD1 3.8Å; L223-I277 HydrophobicContact CD2-CD1 3.54Å; L223-I277 HydrophobicContact CD2-CG1 4.43Å; L223-I277 HydrophobicContact CG-CD1 4.29Å; I232-I277 HydrophobicContact CG2-CG2 3.68Å; P235-I277 HydrophobicContact CG-CG1 4.44Å; W263-I277 HydrophobicContact CH2-CD1 4.15Å; W263-I277 HydrophobicContact CH2-CG1 4.11Å; W263-I277 HydrophobicContact CZ3-CD1 4.3Å; P273-I277 WeakPolarHBondContact O-CD1 3.45Å; P273-I277 VanDerWaalsContact O-CG1 3.31Å; P273-I277 WeakPolarHBondContact O-CG1 3.31Å; P273-I277 PolarHBondContact O-N 3.43Å; L274-I277 PolarHBondContact O-N 2.65Å; L274-I277 VanDerWaalsContact O-N 3.08Å; S275-I277 VanDerWaalsContact C-N 3.33Å; S275-I277 PolarHBondContact O-N 2.94Å; I277-S279 PolarHBondContact O-N 2.92Å; I277-L280 VanDerWaalsContact O-CB 3.24Å; I277-L280 WeakPolarHBondContact O-CB 3.48Å; I277-L280 WeakPolarHBondContact O-CG 3.48Å; I277-L280 PolarHBondContact O-N 2.85Å; I277-Y281 HydrophobicContact CG2-CE2 4.26Å; I277-Y281 WeakPolarHBondContact O-CD2 3.49Å; I277-I293 HydrophobicContact CG2-CD1 4.14Å
278L94.4Very high92.8Very high16 Ų1673 Ų738%0.08437%0.366CS..Hα-helixtrans-63.2-25.4-178.4-66174000112.5L274 S275 L280 Y281 R286 I289 E290L274-L278 WeakPolarHBondContact O-CB 3.39Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 3.11Å; S275-L278 PolarHBondContact O-N 3Å; L278-L280 PolarHBondContact O-N 3.45Å; L278-Y281 PolarHBondContact O-N 3.43Å; L278-Y281 VanDerWaalsContact O-N 3.15Å; L278-R286 HydrophobicContact CB-CG 4.37Å; L278-R286 WeakPolarHBondContact O-CG 3.45Å; L278-R286 PolarHBondContact O-NE 3.09Å; L278-R286 VanDerWaalsContact O-NE 3.12Å; L278-I289 HydrophobicContact CD2-CB 4.28Å; L278-I289 HydrophobicContact CD2-CG2 4.01Å; L278-E290 HydrophobicContact CD1-CB 3.92Å; L278-E290 HydrophobicContact CD1-CG 3.96Å; L278-E290 HydrophobicContact CD2-CB 3.83Å
279S95.3Very high92.9Very high70 Ų7064 Ų6449%0.4933%0.334SS..THydrogen-bonded Turntrans-60.6-22.7173.181.90000113.7S275 S276 I277 Y281S275-S279 WeakPolarHBondContact O-CB 3.34Å; S275-S279 PolarHBondContact O-N 2.89Å; S276-S279 PolarHBondContact O-OG 3.46Å; I277-S279 PolarHBondContact O-N 2.92Å; S279-Y281 VanDerWaalsContact C-N 3.26Å; S279-Y281 PolarHBondContact O-N 3.38Å
280L94.8Very high93Very high60 Ų6064.5 Ų64.531%0.31434%0.336SS..THydrogen-bonded Turntrans-81.5-5.6-180-52.6175.1000113.5R233 L234 P235 I277 L278R233-L280 HydrophobicContact CB-CB 4.16Å; R233-L280 HydrophobicContact CB-CD1 3.93Å; R233-L280 PolarHBondContact NH1-O 3.16Å; R233-L280 WeakPolarHBondContact O-CD1 3.2Å; L234-L280 VanDerWaalsContact C-CD1 3.41Å; P235-L280 HydrophobicContact CG-CD1 4.16Å; I277-L280 VanDerWaalsContact O-CB 3.24Å; I277-L280 WeakPolarHBondContact O-CB 3.48Å; I277-L280 WeakPolarHBondContact O-CG 3.48Å; I277-L280 PolarHBondContact O-N 2.85Å; L278-L280 PolarHBondContact O-N 3.45Å
281Y94.6Very high92.8Very high15 Ų1571 Ų716%0.05936%0.364CS..SBendtrans-112.4149.7-179.5-66.2-89.3000110.7I232 R233 I277 L278 S279 E285 R286 I289I232-Y281 WeakPolarHBondContact CA-OH 3.44Å; R233-Y281 HydrophobicContact CB-CE2 3.91Å; R233-Y281 HydrophobicContact CG-CE1 4.13Å; R233-Y281 HydrophobicContact CG-CE2 4.3Å; R233-Y281 PolarHBondContact N-OH 2.88Å; I277-Y281 HydrophobicContact CG2-CE2 4.26Å; I277-Y281 WeakPolarHBondContact O-CD2 3.49Å; L278-Y281 PolarHBondContact O-N 3.43Å; L278-Y281 VanDerWaalsContact O-N 3.15Å; S279-Y281 VanDerWaalsContact C-N 3.26Å; S279-Y281 PolarHBondContact O-N 3.38Å; Y281-E285 HydrophobicContact CD1-CB 4.32Å; Y281-R286 PolarHBondContact O-NE 2.9Å; Y281-I289 HydrophobicContact CD1-CD1 4.35Å; Y281-I289 HydrophobicContact CD1-CG1 3.8Å; Y281-I289 HydrophobicContact CD2-CG2 4.18Å; Y281-I289 HydrophobicContact CE1-CD1 3.83Å; Y281-I289 HydrophobicContact CE1-CG1 3.75Å; Y281-I289 HydrophobicContact CE1-CG2 4.49Å; Y281-I289 HydrophobicContact CE2-CG2 3.85Å; Y281-I289 HydrophobicContact CG-CG1 4.17Å
282S94.5Very high92.4Very high57 Ų5771.5 Ų71.540%0.39937%0.366SS..  trans-64.7157.4175.272.30000110.5M284 E285 R286S282-M284 PolarHBondContact O-N 3.29Å; S282-E285 VanDerWaalsContact CB-OE2 3.25Å; S282-E285 WeakPolarHBondContact CB-OE2 3.37Å; S282-E285 PolarHBondContact N-OE2 3Å; S282-E285 PolarHBondContact O-N 3.46Å; S282-E285 VanDerWaalsContact OG-CD 3.28Å; S282-E285 WeakPolarHBondContact OG-CG 3.27Å; S282-E285 PolarHBondContact OG-OE2 3.39Å; S282-R286 WeakPolarHBondContact O-CG 3.44Å; S282-R286 PolarHBondContact O-N 3.35Å
283R91.2Very high92.2Very high219 Ų21966.4 Ų66.483%0.82634%0.342SS*.THydrogen-bonded Turntrans-56.1-29.3-178.7-167.6176.5-179.6-177.60.1113.3
284M91Very high91.9Very high180 Ų18068.4 Ų68.489%0.88735%0.35SS*.THydrogen-bonded Turntrans-78.5-24.3178.5-59.8-156.3-56.100113.7S282S282-M284 PolarHBondContact O-N 3.29Å
285E91Very high91.3Very high83 Ų8372.7 Ų72.739%0.38837%0.372SS..THydrogen-bonded Turntrans-88.4-26-179-68.6164128.800112.3Y281 S282 D287 G288 I289Y281-E285 HydrophobicContact CD1-CB 4.32Å; S282-E285 VanDerWaalsContact CB-OE2 3.25Å; S282-E285 WeakPolarHBondContact CB-OE2 3.37Å; S282-E285 PolarHBondContact N-OE2 3Å; S282-E285 PolarHBondContact O-N 3.46Å; S282-E285 VanDerWaalsContact OG-CD 3.28Å; S282-E285 WeakPolarHBondContact OG-CG 3.27Å; S282-E285 PolarHBondContact OG-OE2 3.39Å; E285-D287 PolarHBondContact O-N 3.3Å; E285-G288 PolarHBondContact O-N 3.03Å; E285-G288 VanDerWaalsContact O-N 3.17Å; E285-I289 WeakPolarHBondContact O-CG1 3.49Å; E285-I289 PolarHBondContact O-N 2.85Å
286R92.8Very high90.8Very high99 Ų9969 Ų6937%0.37435%0.347SS..Hα-helixtrans-53.2-49.9-170.3-78.8177.2-170.4-173-0.1113.6L278 Y281 S282 G288 I289 E290L278-R286 HydrophobicContact CB-CG 4.37Å; L278-R286 WeakPolarHBondContact O-CG 3.45Å; L278-R286 PolarHBondContact O-NE 3.09Å; L278-R286 VanDerWaalsContact O-NE 3.12Å; Y281-R286 PolarHBondContact O-NE 2.9Å; S282-R286 WeakPolarHBondContact O-CG 3.44Å; S282-R286 PolarHBondContact O-N 3.35Å; R286-G288 VanDerWaalsContact C-N 3.28Å; R286-G288 PolarHBondContact O-N 3.42Å; R286-I289 PolarHBondContact O-N 2.99Å; R286-E290 VanDerWaalsContact O-CB 3.29Å; R286-E290 WeakPolarHBondContact O-CB 3.3Å; R286-E290 PolarHBondContact O-N 3.35Å
287D89.6Confident90.5Very high124 Ų12467 Ų6766%0.66333%0.333SS*.Hα-helixtrans-62.8-37.6-175.7-61.3-6.2000111.6E285 K291E285-D287 PolarHBondContact O-N 3.3Å; D287-K291 VanDerWaalsContact O-CB 3.29Å; D287-K291 WeakPolarHBondContact O-CB 3.44Å; D287-K291 PolarHBondContact O-N 3.38Å
288G88.7Confident89.9Confident45 Ų4567.7 Ų67.746%0.46434%0.338SS..Hα-helixtrans-67.7-47.6177.100000112.3E285 R286 K291 E292E285-G288 PolarHBondContact O-N 3.03Å; E285-G288 VanDerWaalsContact O-N 3.17Å; R286-G288 VanDerWaalsContact C-N 3.28Å; R286-G288 PolarHBondContact O-N 3.42Å; G288-K291 PolarHBondContact O-N 3.27Å; G288-E292 PolarHBondContact O-N 2.82Å
289I89.3Confident89.3Confident29 Ų2969.9 Ų69.915%0.14935%0.35CS..Hα-helixtrans-66.6-41.5179.1-63.5-63.9000111.4L278 Y281 E285 R286 K291 E292 I293L278-I289 HydrophobicContact CD2-CB 4.28Å; L278-I289 HydrophobicContact CD2-CG2 4.01Å; Y281-I289 HydrophobicContact CD1-CD1 4.35Å; Y281-I289 HydrophobicContact CD1-CG1 3.8Å; Y281-I289 HydrophobicContact CD2-CG2 4.18Å; Y281-I289 HydrophobicContact CE1-CD1 3.83Å; Y281-I289 HydrophobicContact CE1-CG1 3.75Å; Y281-I289 HydrophobicContact CE1-CG2 4.49Å; Y281-I289 HydrophobicContact CE2-CG2 3.85Å; Y281-I289 HydrophobicContact CG-CG1 4.17Å; E285-I289 WeakPolarHBondContact O-CG1 3.49Å; E285-I289 PolarHBondContact O-N 2.85Å; R286-I289 PolarHBondContact O-N 2.99Å; I289-K291 VanDerWaalsContact C-N 3.32Å; I289-K291 PolarHBondContact O-N 2.79Å; I289-E292 PolarHBondContact O-N 3.01Å; I289-I293 HydrophobicContact CG2-CD1 3.85Å; I289-I293 HydrophobicContact CG2-CG1 4.42Å; I289-I293 VanDerWaalsContact O-CG1 3.31Å; I289-I293 WeakPolarHBondContact O-CG1 3.37Å; I289-I293 PolarHBondContact O-N 3.01Å
290E91.9Very high89Confident54 Ų5466.7 Ų66.725%0.25233%0.327SS..Hα-helixtrans-61-44.8176.2-175.3173.1173.700110.9L278 R286 E292 I293 R294L278-E290 HydrophobicContact CD1-CB 3.92Å; L278-E290 HydrophobicContact CD1-CG 3.96Å; L278-E290 HydrophobicContact CD2-CB 3.83Å; R286-E290 VanDerWaalsContact O-CB 3.29Å; R286-E290 WeakPolarHBondContact O-CB 3.3Å; R286-E290 PolarHBondContact O-N 3.35Å; E290-E292 VanDerWaalsContact C-N 3.34Å; E290-E292 PolarHBondContact O-N 3.42Å; E290-I293 PolarHBondContact O-N 2.92Å; E290-R294 HydrophobicContact CG-CG 4.38Å; E290-R294 WeakPolarHBondContact O-CB 3.49Å; E290-R294 WeakPolarHBondContact O-CG 3.47Å; E290-R294 PolarHBondContact O-N 3.46Å; E290-R294 IonicContact OE1-CZ 2.83Å; E290-R294 VanDerWaalsContact OE1-CZ 3.25Å; E290-R294 IonicContact OE1-NE 3.18Å; E290-R294 PolarHBondContact OE1-NE 2.76Å; E290-R294 IonicContact OE1-NH2 3.39Å; E290-R294 PolarHBondContact OE1-NH2 3.11Å
291K88.4Confident88.5Confident137 Ų13764.5 Ų64.560%0.59632%0.315SS*.Hα-helixtrans-59.5-45.6175.4-174.8-179.7179.6-178.40111.5D287 G288 I289 R294 L295D287-K291 VanDerWaalsContact O-CB 3.29Å; D287-K291 WeakPolarHBondContact O-CB 3.44Å; D287-K291 PolarHBondContact O-N 3.38Å; G288-K291 PolarHBondContact O-N 3.27Å; I289-K291 VanDerWaalsContact C-N 3.32Å; I289-K291 PolarHBondContact O-N 2.79Å; K291-R294 PolarHBondContact O-N 2.71Å; K291-L295 HydrophobicContact CG-CD1 3.97Å; K291-L295 HydrophobicContact CG-CG 4.4Å; K291-L295 WeakPolarHBondContact O-CB 3.46Å; K291-L295 VanDerWaalsContact O-CG 3.27Å; K291-L295 WeakPolarHBondContact O-CG 3.35Å; K291-L295 PolarHBondContact O-N 3.07Å
292E85.3Confident88Confident84 Ų8465.7 Ų65.739%0.39332%0.323SS..Hα-helixtrans-59.5-47.8177.7-162.4-175.2153.500111.3I229 G288 I289 E290 R294 L295 G296I229-E292 HydrophobicContact CD1-CG 3.81Å; I229-E292 VanDerWaalsContact CD1-O 3.22Å; I229-E292 WeakPolarHBondContact CD1-O 3.39Å; I229-E292 HydrophobicContact CG1-CG 4.05Å; G288-E292 PolarHBondContact O-N 2.82Å; I289-E292 PolarHBondContact O-N 3.01Å; E290-E292 VanDerWaalsContact C-N 3.34Å; E290-E292 PolarHBondContact O-N 3.42Å; E292-R294 PolarHBondContact O-N 3.33Å; E292-L295 PolarHBondContact O-N 3.37Å; E292-G296 PolarHBondContact O-N 3.49Å
293I89.5Confident87Confident0 Ų064.5 Ų64.50%031%0.314CS..Hα-helixtrans-60.4-48.1177.3-66.3163.7000111.3L219 I222 I232 L274 I277 I289 E290 G296 I297L219-I293 HydrophobicContact CD1-CG2 3.82Å; I222-I293 HydrophobicContact CG2-CG2 4.49Å; I232-I293 HydrophobicContact CD1-CD1 3.76Å; I232-I293 HydrophobicContact CD1-CG1 3.21Å; L274-I293 HydrophobicContact CD2-CB 4.33Å; L274-I293 HydrophobicContact CD2-CD1 4.14Å; L274-I293 HydrophobicContact CD2-CG2 3.57Å; I277-I293 HydrophobicContact CG2-CD1 4.14Å; I289-I293 HydrophobicContact CG2-CD1 3.85Å; I289-I293 HydrophobicContact CG2-CG1 4.42Å; I289-I293 VanDerWaalsContact O-CG1 3.31Å; I289-I293 WeakPolarHBondContact O-CG1 3.37Å; I289-I293 PolarHBondContact O-N 3.01Å; E290-I293 PolarHBondContact O-N 2.92Å; I293-G296 PolarHBondContact O-N 3.5Å; I293-I297 HydrophobicContact CG2-CD1 3.8Å; I293-I297 HydrophobicContact CG2-CG1 4.45Å; I293-I297 WeakPolarHBondContact O-CG1 3.16Å; I293-I297 PolarHBondContact O-N 3.41Å
294R89.4Confident85.9Confident42 Ų4259 Ų5916%0.15831%0.31CS..Hα-helixtrans-66.7-37.1-177.5-70.9-172.2-173-81.71.8111.9E271 E290 K291 E292 I297 S298E271-R294 IonicContact OE1-CZ 2.95Å; E271-R294 IonicContact OE1-NH1 3.93Å; E271-R294 PolarHBondContact OE1-NH1 3.29Å; E271-R294 IonicContact OE1-NH2 2.85Å; E271-R294 PolarHBondContact OE1-NH2 3.41Å; E271-R294 IonicContact OE2-NH2 2.92Å; E271-R294 PolarHBondContact OE2-NH2 2.59Å; E290-R294 HydrophobicContact CG-CG 4.38Å; E290-R294 WeakPolarHBondContact O-CB 3.49Å; E290-R294 WeakPolarHBondContact O-CG 3.47Å; E290-R294 PolarHBondContact O-N 3.46Å; E290-R294 IonicContact OE1-CZ 2.83Å; E290-R294 VanDerWaalsContact OE1-CZ 3.25Å; E290-R294 IonicContact OE1-NE 3.18Å; E290-R294 PolarHBondContact OE1-NE 2.76Å; E290-R294 IonicContact OE1-NH2 3.39Å; E290-R294 PolarHBondContact OE1-NH2 3.11Å; K291-R294 PolarHBondContact O-N 2.71Å; E292-R294 PolarHBondContact O-N 3.33Å; R294-I297 PolarHBondContact O-N 3.28Å; R294-S298 PolarHBondContact O-N 3.12Å; R294-S298 PolarHBondContact O-OG 3.05Å
295L82.3Confident85.1Confident91 Ų9152.6 Ų52.648%0.47628%0.282SS..Hα-helixtrans-61.2-49.5170.9-75.2170.4000110.9K291 E292 I297 S298 D299K291-L295 HydrophobicContact CG-CD1 3.97Å; K291-L295 HydrophobicContact CG-CG 4.4Å; K291-L295 WeakPolarHBondContact O-CB 3.46Å; K291-L295 VanDerWaalsContact O-CG 3.27Å; K291-L295 WeakPolarHBondContact O-CG 3.35Å; K291-L295 PolarHBondContact O-N 3.07Å; E292-L295 PolarHBondContact O-N 3.37Å; L295-I297 VanDerWaalsContact C-N 3.29Å; L295-I297 PolarHBondContact O-N 3.44Å; L295-S298 WeakPolarHBondContact O-CA 3.35Å; L295-S298 VanDerWaalsContact O-CB 3.29Å; L295-S298 WeakPolarHBondContact O-CB 3.23Å; L295-S298 PolarHBondContact O-N 3.46Å; L295-D299 PolarHBondContact O-N 3.44Å; L295-D299 VanDerWaalsContact O-N 3.16Å
296G83.9Confident84.6Confident2 Ų248.7 Ų48.72%0.02127%0.265CS..Hα-helixtrans-60.3-35.6177.700000113.6E292 I293 S298 D299 Y300E292-G296 PolarHBondContact O-N 3.49Å; I293-G296 PolarHBondContact O-N 3.5Å; G296-S298 VanDerWaalsContact C-N 3.3Å; G296-D299 PolarHBondContact O-N 3.47Å; G296-Y300 WeakPolarHBondContact O-CD2 3.31Å
297I87.7Confident84.3Confident1 Ų148.8 Ų48.81%0.00527%0.269CS..Hα-helixtrans-64.9-38.6172.4-70.6161.9000111P218 L219 I222 I270 I293 R294 L295 D299 Y300 L348P218-I297 HydrophobicContact CB-CB 4.21Å; P218-I297 HydrophobicContact CB-CG1 4.18Å; P218-I297 HydrophobicContact CB-CG2 3.8Å; P218-I297 HydrophobicContact CG-CG2 4.45Å; L219-I297 HydrophobicContact CB-CD1 4.3Å; L219-I297 HydrophobicContact CB-CG1 4.5Å; L219-I297 HydrophobicContact CD1-CD1 4.29Å; I222-I297 HydrophobicContact CG1-CG1 4.37Å; I270-I297 HydrophobicContact CD1-CD1 3.7Å; I293-I297 HydrophobicContact CG2-CD1 3.8Å; I293-I297 HydrophobicContact CG2-CG1 4.45Å; I293-I297 WeakPolarHBondContact O-CG1 3.16Å; I293-I297 PolarHBondContact O-N 3.41Å; R294-I297 PolarHBondContact O-N 3.28Å; L295-I297 VanDerWaalsContact C-N 3.29Å; L295-I297 PolarHBondContact O-N 3.44Å; I297-D299 PolarHBondContact O-N 2.9Å; I297-Y300 PolarHBondContact O-N 3.47Å; I297-Y300 VanDerWaalsContact O-N 3.11Å; I297-L348 HydrophobicContact CB-CD2 4.22Å; I297-L348 HydrophobicContact CG2-CD2 3.36Å
298S83.3Confident84.1Confident14 Ų1448.4 Ų48.410%0.09826%0.262CS..Hα-helixtrans-66.5-28.2-177.4-57.10000112R294 L295 G296 Y300 L301 K352R294-S298 PolarHBondContact O-N 3.12Å; R294-S298 PolarHBondContact O-OG 3.05Å; L295-S298 WeakPolarHBondContact O-CA 3.35Å; L295-S298 VanDerWaalsContact O-CB 3.29Å; L295-S298 WeakPolarHBondContact O-CB 3.23Å; L295-S298 PolarHBondContact O-N 3.46Å; G296-S298 VanDerWaalsContact C-N 3.3Å; S298-Y300 PolarHBondContact O-N 3.46Å; S298-L301 WeakPolarHBondContact O-CB 3.48Å; S298-L301 PolarHBondContact O-N 3.12Å; S298-K352 WeakPolarHBondContact O-CE 3.31Å; S298-K352 PolarHBondContact O-NZ 3.48Å
299D82Confident84Confident62 Ų6247 Ų4733%0.33224%0.244SC..THydrogen-bonded Turntrans-63-22.3173.5-65.1-22.2000113.3Y172 L295 G296 I297Y172-D299 WeakPolarHBondContact CE1-O 3.44Å; Y172-D299 PolarHBondContact OH-O 3.37Å; L295-D299 PolarHBondContact O-N 3.44Å; L295-D299 VanDerWaalsContact O-N 3.16Å; G296-D299 PolarHBondContact O-N 3.47Å; I297-D299 PolarHBondContact O-N 2.9Å
300Y88.1Confident83.9Confident2 Ų245.7 Ų45.71%0.00824%0.236CC..THydrogen-bonded Turntrans-98.4-1.6174.4-63.8-70.6000113.7D168 I171 Y172 Y214 P218 A221 I222 N226 G296 I297 S298 L302D168-Y300 HydrophobicContact CB-CE1 4.02Å; D168-Y300 VanDerWaalsContact CG-OH 3.31Å; D168-Y300 PolarHBondContact OD2-OH 3.13Å; I171-Y300 HydrophobicContact CB-CD1 3.82Å; I171-Y300 HydrophobicContact CB-CE1 3.98Å; I171-Y300 HydrophobicContact CB-CG 4.45Å; I171-Y300 HydrophobicContact CG1-CE1 4.33Å; I171-Y300 HydrophobicContact CG2-CD1 3.49Å; I171-Y300 VanDerWaalsContact CG2-CD1 3.49Å; I171-Y300 HydrophobicContact CG2-CD2 4.17Å; I171-Y300 HydrophobicContact CG2-CE1 3.97Å; I171-Y300 HydrophobicContact CG2-CG 3.62Å; Y172-Y300 HydrophobicContact CD1-CD1 4.17Å; Y172-Y300 AromaticContact CE1-CD1 3.75Å; Y172-Y300 HydrophobicContact CE1-CD1 3.75Å; Y172-Y300 HydrophobicContact CE1-CG 4.48Å; Y172-Y300 HydrophobicContact CE2-CD1 4.1Å; Y172-Y300 HydrophobicContact CE2-CE1 4.2Å; Y172-Y300 AromaticContact CZ-CD1 3.68Å; Y214-Y300 PolarHBondContact OH-O 3.49Å; P218-Y300 HydrophobicContact CB-CD2 4.14Å; P218-Y300 HydrophobicContact CB-CG 4.4Å; A221-Y300 HydrophobicContact CB-CD2 4.31Å; A221-Y300 HydrophobicContact CB-CE2 3.63Å; I222-Y300 HydrophobicContact CD1-CE2 4.03Å; N226-Y300 PolarHBondContact ND2-OH 3Å; G296-Y300 WeakPolarHBondContact O-CD2 3.31Å; I297-Y300 PolarHBondContact O-N 3.47Å; I297-Y300 VanDerWaalsContact O-N 3.11Å; S298-Y300 PolarHBondContact O-N 3.46Å; Y300-L302 PolarHBondContact O-N 2.69Å
301L84.5Confident83.7Confident15 Ų1550.2 Ų50.28%0.07926%0.258CS..  trans-82.5108.7-177-161.490.3000110.8I149 S298 L345 K352I149-L301 WeakPolarHBondContact CD1-O 3.49Å; S298-L301 WeakPolarHBondContact O-CB 3.48Å; S298-L301 PolarHBondContact O-N 3.12Å; L301-L345 HydrophobicContact CD1-CD2 4Å; L301-K352 HydrophobicContact CB-CD 4.02Å; L301-K352 HydrophobicContact CD2-CB 4.24Å; L301-K352 HydrophobicContact CD2-CD 3.96Å; L301-K352 PolarHBondContact O-NZ 3.18Å
302L83Confident83.5Confident40 Ų4047.1 Ų47.121%0.20925%0.245CC..  trans-68.9141.1-179.3-61.2162.2000111.9I149 A152 E153 I156 Y172 R173 Y300I149-L302 HydrophobicContact CG1-CD2 4.42Å; A152-L302 HydrophobicContact CB-CD2 3.94Å; E153-L302 HydrophobicContact CG-CB 4.38Å; E153-L302 HydrophobicContact CG-CD2 3.65Å; I156-L302 HydrophobicContact CD1-CD1 3.25Å; I156-L302 HydrophobicContact CD1-CD2 4.12Å; I156-L302 HydrophobicContact CD1-CG 4.29Å; Y172-L302 HydrophobicContact CD1-CD2 3.9Å; R173-L302 WeakPolarHBondContact O-CD1 3.45Å; Y300-L302 PolarHBondContact O-N 2.69Å
303S74.3Confident83.6Confident32 Ų3244.5 Ų44.522%0.22423%0.233CC..  trans-120.1176.9174.676.10000111.2E153 S305 N356E153-S303 WeakPolarHBondContact OE1-CA 3.42Å; E153-S303 WeakPolarHBondContact OE1-CB 3.49Å; E153-S303 PolarHBondContact OE1-N 3.05Å; E153-S303 PolarHBondContact OE1-OG 3.13Å; S303-S305 PolarHBondContact O-N 3.27Å; S303-N356 WeakPolarHBondContact CB-ND2 3.41Å
304S68Low83.4Confident104 Ų10447.5 Ų47.573%0.72727%0.265SS*.THydrogen-bonded Turntrans-79.416.5-179.850.30000114.7G306S304-G306 VanDerWaalsContact C-N 3.28Å; S304-G306 PolarHBondContact O-N 3.21Å
305S73.8Confident83.1Confident44 Ų4447.2 Ų47.231%0.30827%0.265SS..THydrogen-bonded Turntrans-68.4-23-173.5105.50000114.5E153 S303 E307 K308 L309E153-S305 WeakPolarHBondContact OE2-CB 3.49Å; E153-S305 PolarHBondContact OE2-OG 3.32Å; S303-S305 PolarHBondContact O-N 3.27Å; S305-E307 PolarHBondContact O-N 3.28Å; S305-E307 VanDerWaalsContact O-N 3.12Å; S305-K308 PolarHBondContact O-N 3.35Å; S305-K308 VanDerWaalsContact O-N 3.1Å; S305-L309 PolarHBondContact O-N 2.98Å
306G82Confident82.1Confident2 Ų246.2 Ų46.22%0.02127%0.265CS..Hα-helixtrans-56.9-28.9179.900000114.2S304 L309 A310S304-G306 VanDerWaalsContact C-N 3.28Å; S304-G306 PolarHBondContact O-N 3.21Å; G306-L309 PolarHBondContact O-N 3.23Å; G306-A310 WeakPolarHBondContact O-CB 3.42Å; G306-A310 PolarHBondContact O-N 3.35Å
307E85.7Confident80.7Confident100 Ų10049.2 Ų49.247%0.46728%0.283SS..Hα-helixtrans-65.2-46.5175.8178.4154.6-127.700112.8Y157 S305 L309 A310 H311Y157-E307 HydrophobicContact CD2-CB 3.83Å; Y157-E307 HydrophobicContact CE1-CB 4.49Å; Y157-E307 HydrophobicContact CE2-CB 3.4Å; Y157-E307 HydrophobicContact CE2-CG 3.67Å; Y157-E307 WeakPolarHBondContact OH-CG 3.31Å; Y157-E307 PolarHBondContact OH-OE1 3.02Å; S305-E307 PolarHBondContact O-N 3.28Å; S305-E307 VanDerWaalsContact O-N 3.12Å; E307-L309 PolarHBondContact O-N 3.2Å; E307-A310 PolarHBondContact O-N 2.65Å; E307-H311 PolarHBondContact O-N 3.39Å
308K84.8Confident78.7Confident117 Ų11757.1 Ų57.151%0.50932%0.32SS..Hα-helixtrans-58.7-42.7179.1-174.2176.8-174.7172.30109.9S305 H311 E312 D359S305-K308 PolarHBondContact O-N 3.35Å; S305-K308 VanDerWaalsContact O-N 3.1Å; K308-H311 PolarHBondContact O-N 3.42Å; K308-E312 WeakPolarHBondContact O-CG 3.15Å; K308-E312 PolarHBondContact O-N 3.18Å; K308-D359 IonicContact NZ-OD1 3.49Å; K308-D359 PolarHBondContact NZ-OD1 2.94Å
309L86.2Confident76.7Confident16 Ų1664.4 Ų64.48%0.08435%0.352CS..Hα-helixtrans-69.8-41-179.7-16469.6000112.8I76 I141 T150 L154 S305 G306 E307 H311 E312 L313I76-L309 HydrophobicContact CD1-CD2 4.07Å; I141-L309 HydrophobicContact CD1-CD1 3.83Å; I141-L309 HydrophobicContact CG1-CD1 4.35Å; I141-L309 HydrophobicContact CG2-CD1 3.7Å; I141-L309 HydrophobicContact CG2-CD2 4.29Å; I141-L309 HydrophobicContact CG2-CG 4.17Å; T150-L309 HydrophobicContact CG2-CD2 3.46Å; T150-L309 VanDerWaalsContact CG2-CD2 3.46Å; L154-L309 HydrophobicContact CB-CD2 4.18Å; L154-L309 HydrophobicContact CD1-CB 4.37Å; L154-L309 HydrophobicContact CD2-CD2 3.9Å; L154-L309 HydrophobicContact CG-CD2 4.41Å; S305-L309 PolarHBondContact O-N 2.98Å; G306-L309 PolarHBondContact O-N 3.23Å; E307-L309 PolarHBondContact O-N 3.2Å; L309-H311 VanDerWaalsContact C-N 3.3Å; L309-H311 PolarHBondContact O-N 3.11Å; L309-E312 PolarHBondContact O-N 2.81Å; L309-L313 HydrophobicContact CG-CD1 4.1Å; L309-L313 WeakPolarHBondContact O-CB 3.23Å; L309-L313 WeakPolarHBondContact O-CG 3.34Å; L309-L313 PolarHBondContact O-N 3Å
310A88Confident75Confident0 Ų066.7 Ų66.70%036%0.356CS..Hα-helixtrans-57.3-46.2174.600000110.8L154 Y157 L158 G306 E307 E312 L313 G314 F315L154-A310 HydrophobicContact CD1-CB 3.86Å; Y157-A310 HydrophobicContact CD1-CB 3.63Å; Y157-A310 HydrophobicContact CE1-CB 3.57Å; L158-A310 HydrophobicContact CD2-CB 4.26Å; G306-A310 WeakPolarHBondContact O-CB 3.42Å; G306-A310 PolarHBondContact O-N 3.35Å; E307-A310 PolarHBondContact O-N 2.65Å; A310-E312 PolarHBondContact O-N 3.23Å; A310-L313 CarbonylContact O-C 3.57Å; A310-L313 PolarHBondContact O-N 3.35Å; A310-G314 PolarHBondContact O-N 3.1Å; A310-G314 VanDerWaalsContact O-N 3.16Å; A310-F315 HydrophobicContact CB-CB 4.12Å; A310-F315 WeakPolarHBondContact O-CB 3.4Å; A310-F315 PolarHBondContact O-N 2.91Å
311H87Confident72.5Confident150 Ų15073.4 Ų73.469%0.69439%0.392SS*.Hα-helixtrans-62-43.4176.4-178-83.5000112.5E307 K308 L309 L313 G314E307-H311 PolarHBondContact O-N 3.39Å; K308-H311 PolarHBondContact O-N 3.42Å; L309-H311 VanDerWaalsContact C-N 3.3Å; L309-H311 PolarHBondContact O-N 3.11Å; H311-L313 VanDerWaalsContact C-N 3.25Å; H311-L313 PolarHBondContact O-N 3.05Å; H311-G314 PolarHBondContact O-N 2.69Å
312E85Confident70.1Confident71 Ų7177.9 Ų77.933%0.33243%0.425SS..Hα-helixtrans-62.6-31.6176.2-75-178.8-173.700113.4I141 K308 L309 A310 G314 K378I141-E312 HydrophobicContact CD1-CB 4.19Å; I141-E312 WeakPolarHBondContact CD1-OE2 3.38Å; K308-E312 WeakPolarHBondContact O-CG 3.15Å; K308-E312 PolarHBondContact O-N 3.18Å; L309-E312 PolarHBondContact O-N 2.81Å; A310-E312 PolarHBondContact O-N 3.23Å; E312-G314 VanDerWaalsContact C-N 3.27Å; E312-K378 IonicContact OE1-NZ 3.71Å; E312-K378 PolarHBondContact OE1-NZ 2.95Å; E312-K378 IonicContact OE2-NZ 2.69Å; E312-K378 PolarHBondContact OE2-NZ 2.88Å
313L87.4Confident67.7Low29 Ų2981.2 Ų81.215%0.15245%0.451CS..THydrogen-bonded Turntrans-82.8-1.6174.9-73.4166.6000113.2I74 I76 P139 I141 L154 L309 A310 H311 F315I74-L313 HydrophobicContact CG2-CD1 3.64Å; I76-L313 HydrophobicContact CD1-CD1 4.35Å; P139-L313 HydrophobicContact CB-CD2 4.33Å; I141-L313 HydrophobicContact CB-CD2 3.94Å; I141-L313 HydrophobicContact CG2-CD1 4.05Å; I141-L313 HydrophobicContact CG2-CD2 3.88Å; I141-L313 HydrophobicContact CG2-CG 4.12Å; L154-L313 HydrophobicContact CD2-CD1 3.91Å; L309-L313 HydrophobicContact CG-CD1 4.1Å; L309-L313 WeakPolarHBondContact O-CB 3.23Å; L309-L313 WeakPolarHBondContact O-CG 3.34Å; L309-L313 PolarHBondContact O-N 3Å; A310-L313 CarbonylContact O-C 3.57Å; A310-L313 PolarHBondContact O-N 3.35Å; H311-L313 VanDerWaalsContact C-N 3.25Å; H311-L313 PolarHBondContact O-N 3.05Å; L313-F315 HydrophobicContact CB-CD2 3.57Å; L313-F315 HydrophobicContact CB-CE2 3.74Å; L313-F315 HydrophobicContact CD1-CE2 4.4Å
314G85.8Confident65.6Low64 Ų6483.5 Ų83.566%0.6647%0.467SS*.THydrogen-bonded Turntrans82.412.4179.500000114.9A310 H311 E312 S316A310-G314 PolarHBondContact O-N 3.1Å; A310-G314 VanDerWaalsContact O-N 3.16Å; H311-G314 PolarHBondContact O-N 2.69Å; E312-G314 VanDerWaalsContact C-N 3.27Å; G314-S316 PolarHBondContact O-N 2.69Å
315F81.8Confident63.6Low36 Ų3688.1 Ų88.116%0.15847%0.474CS..  trans-79.7113.9173.3-66.6-78.9000110.1E72 I74 L158 A310 L313E72-F315 VanDerWaalsContact OE1-CE1 3.31Å; E72-F315 WeakPolarHBondContact OE1-CE1 3.3Å; E72-F315 WeakPolarHBondContact OE1-CZ 3.36Å; I74-F315 HydrophobicContact CD1-CD2 4.3Å; I74-F315 HydrophobicContact CD1-CE1 4.12Å; I74-F315 HydrophobicContact CD1-CE2 3.43Å; I74-F315 VanDerWaalsContact CD1-CE2 3.43Å; I74-F315 HydrophobicContact CD1-CZ 3.34Å; I74-F315 HydrophobicContact CG1-CE2 3.9Å; I74-F315 HydrophobicContact CG1-CZ 3.71Å; L158-F315 HydrophobicContact CD2-CB 4.23Å; L158-F315 HydrophobicContact CD2-CG 4.35Å; A310-F315 HydrophobicContact CB-CB 4.12Å; A310-F315 WeakPolarHBondContact O-CB 3.4Å; A310-F315 PolarHBondContact O-N 2.91Å; L313-F315 HydrophobicContact CB-CD2 3.57Å; L313-F315 HydrophobicContact CB-CE2 3.74Å; L313-F315 HydrophobicContact CD1-CE2 4.4Å
316S61.8Low61.4Low69 Ų6994.3 Ų94.348%0.48350%0.503SS..  trans-90.6151174.4158.40000111.3G314 E318G314-S316 PolarHBondContact O-N 2.69Å; S316-E318 PolarHBondContact O-N 3.48Å; S316-E318 WeakPolarHBondContact OG-CB 3.27Å; S316-E318 WeakPolarHBondContact OG-CG 3.41Å; S316-E318 PolarHBondContact OG-N 3.37Å; S316-E318 VanDerWaalsContact OG-N 3.13Å
317T53.6Low58.8Low65 Ų6597.6 Ų97.640%0.39954%0.537SS..G310 helixtrans-64.5-10.1173.542.70000113.9Y157 H319 R320Y157-T317 WeakPolarHBondContact OH-CG2 3.34Å; T317-H319 VanDerWaalsContact C-N 3.29Å; T317-H319 PolarHBondContact O-N 2.98Å; T317-R320 VanDerWaalsContact O-CB 3.24Å; T317-R320 WeakPolarHBondContact O-CB 3.26Å; T317-R320 VanDerWaalsContact O-CD 3.3Å; T317-R320 WeakPolarHBondContact O-CD 3.17Å; T317-R320 WeakPolarHBondContact O-CG 3.32Å; T317-R320 PolarHBondContact O-N 3.46Å
318E46.5Very low55.9Low167 Ų16799.1 Ų99.178%0.7856%0.559SS**G310 helixtrans-71.1-12.6-172-70.9-177.916800115.4S316 R320S316-E318 PolarHBondContact O-N 3.48Å; S316-E318 WeakPolarHBondContact OG-CB 3.27Å; S316-E318 WeakPolarHBondContact OG-CG 3.41Å; S316-E318 PolarHBondContact OG-N 3.37Å; S316-E318 VanDerWaalsContact OG-N 3.13Å; E318-R320 PolarHBondContact O-N 3.17Å; E318-R320 VanDerWaalsContact O-N 3.15Å
319H41.4Very low53.1Low167 Ų16798.6 Ų98.677%0.77357%0.57SS**G310 helixtrans-744172.3-82.5-48.6000114.5T317T317-H319 VanDerWaalsContact C-N 3.29Å; T317-H319 PolarHBondContact O-N 2.98Å
320R47.2Very low50.1Low111 Ų111105.6 Ų105.642%0.41961%0.607SS.*G310 helixtrans-84-18.8-165.7-74.3177176.6-176.6-0.3116.7Y157 T317 E318Y157-R320 PolarHBondContact OH-NH2 3.31Å; T317-R320 VanDerWaalsContact O-CB 3.24Å; T317-R320 WeakPolarHBondContact O-CB 3.26Å; T317-R320 VanDerWaalsContact O-CD 3.3Å; T317-R320 WeakPolarHBondContact O-CD 3.17Å; T317-R320 WeakPolarHBondContact O-CG 3.32Å; T317-R320 PolarHBondContact O-N 3.46Å; E318-R320 PolarHBondContact O-N 3.17Å; E318-R320 VanDerWaalsContact O-N 3.15Å
321D35.6Very low47.2Very low143 Ų143112.6 Ų112.677%0.76564%0.643SS**SBendtrans-109.5-7.2-170.1-73.5-22.5000115.9
322S32.9Very low44.2Very low108 Ų108114.6 Ų114.676%0.75565%0.653SS**SBendtrans-87.5-0.8-173.434.90000115.9
323S33.3Very low41.5Very low110 Ų110117.7 Ų117.777%0.76967%0.672SS**SBendtrans-116.3-3.8179.467.10000116
324S30.1Very low38.6Very low80 Ų80121.2 Ų121.256%0.55970%0.696SS**  trans-105.359.8-178.755.50000112.8
325K26.2Very low35.9Very low202 Ų202127.7 Ų127.788%0.87871%0.709SS**  trans-126.966157.9-77.2-169.5-178.6177.80110.1
326L27.6Very low33.4Very low173 Ų173131.9 Ų131.991%0.90674%0.738SS**SBendtrans-148104.4161.6-142.474.7000111.5
327G26.5Very low31.8Very low71 Ų71134.4 Ų134.473%0.73275%0.753SS**  trans48.990.8152.200000118.8S329G327-S329 PolarHBondContact O-N 2.94Å; G327-S329 VanDerWaalsContact O-N 3.11Å
328S25.3Very low30.7Very low132 Ų132135.8 Ų135.892%0.92376%0.764SS**  trans-69.498.3156.339.40000110.1
329S25.7Very low30.1Very low106 Ų106130.6 Ų130.674%0.74176%0.755SS**  trans-96.4121.1163.848.60000110.1G327 I331G327-S329 PolarHBondContact O-N 2.94Å; G327-S329 VanDerWaalsContact O-N 3.11Å; S329-I331 PolarHBondContact O-N 2.94Å
330N23.7Very low29.9Very low163 Ų163126 Ų12687%0.87274%0.742SS**  trans-39.4120.2178-65.7-40.8000114.4
331I27.5Very low29.4Very low147 Ų147125 Ų12575%0.75474%0.739SS**  trans-122.5115155-61.6179000106.5S329 D333S329-I331 PolarHBondContact O-N 2.94Å; I331-D333 PolarHBondContact O-N 3.39Å
332Q24Very low29.6Very low192 Ų192122.1 Ų122.190%0.89773%0.729SS**  trans-71.5114.9168-75.2175-24.400107.9
333D27Very low30.2Very low136 Ų136123 Ų12373%0.72772%0.721SS**  trans-94.1140.4165.6-97.1-29.7000110.4I331I331-D333 PolarHBondContact O-N 3.39Å
334P28.1Very low31Very low104 Ų104118.8 Ų118.868%0.67569%0.69SS**  trans-77.6130.8176.826-20.7000110.6T336P334-T336 PolarHBondContact O-N 3.04Å
335E27.9Very low31.9Very low199 Ų199116.5 Ų116.593%0.9367%0.672SS**  trans-47.9109.5176.6-65.5179.8162.500111.7
336T28.6Very low32.9Very low124 Ų124109.3 Ų109.376%0.76165%0.647SS**  trans-98.8126.8162.9-51.80000107.6P334 C338P334-T336 PolarHBondContact O-N 3.04Å; T336-C338 PolarHBondContact O-N 3.45Å
337P28.2Very low34.1Very low122 Ų122107.2 Ų107.279%0.79263%0.63SS**  trans-70.7108.1-174.9-6.119.2000110.5G339P337-G339 PolarHBondContact O-N 3.32Å; P337-G339 VanDerWaalsContact O-N 3.08Å
338C31.5Very low35.3Very low95 Ų95104 Ų10464%0.64260%0.597SS**  trans-78.323.9-179.9-161.20000113.6T336T336-C338 PolarHBondContact O-N 3.45Å
339G34.7Very low36.1Very low57 Ų5799.5 Ų99.559%0.58857%0.565SS**THydrogen-bonded Turntrans-78.7-40.6-167.200000115.7P337P337-G339 PolarHBondContact O-N 3.32Å; P337-G339 VanDerWaalsContact O-N 3.08Å
340S37.4Very low36.9Very low72 Ų72101.2 Ų101.250%0.50356%0.559SS.*THydrogen-bonded Turntrans-91.3-25.1-173.989.90000114.3C342 E343S340-C342 VanDerWaalsContact C-N 3.34Å; S340-C342 PolarHBondContact O-N 3.2Å; S340-E343 PolarHBondContact O-N 2.95Å
341Y36.7Very low37.7Very low88 Ų8898 Ų9835%0.34554%0.541SS..Hα-helixtrans-65.1-36.1-179-90.4-72.5000112.7Y214 L345Y214-Y341 WeakPolarHBondContact O-CD1 3.36Å; Y214-Y341 WeakPolarHBondContact O-CE1 3.19Å; Y341-L345 WeakPolarHBondContact O-CD1 3.25Å; Y341-L345 PolarHBondContact O-N 2.96Å
342C38.5Very low38.3Very low83 Ų8392.5 Ų92.556%0.56151%0.512SS*.Hα-helixtrans-67.6-34.4-179.2-910000113.5S340 S346S340-C342 VanDerWaalsContact C-N 3.34Å; S340-C342 PolarHBondContact O-N 3.2Å; C342-S346 WeakPolarHBondContact O-CB 3.4Å; C342-S346 PolarHBondContact O-N 3.44Å
343E44.9Very low38.8Very low127 Ų12788.7 Ų88.759%0.59350%0.497SS*.Hα-helixtrans-69.8-43.6-177-77.5-170.5163.300112.5S340 S346 K347S340-E343 PolarHBondContact O-N 2.95Å; E343-S346 PolarHBondContact O-N 3.42Å; E343-S346 PolarHBondContact O-OG 3.39Å; E343-K347 PolarHBondContact O-N 3.01Å; E343-K347 VanDerWaalsContact O-N 3.14Å
344D51.1Low39.3Very low22 Ų2288.3 Ų88.312%0.11850%0.495CS..Hα-helixtrans-71.6-38-179.8-67.5-31.7000112.1S346 K347 L348D344-S346 VanDerWaalsContact C-N 3.27Å; D344-S346 PolarHBondContact O-N 3.2Å; D344-K347 PolarHBondContact O-N 3.43Å; D344-K347 IonicContact OD1-NZ 3.93Å; D344-L348 WeakPolarHBondContact O-CD1 3.37Å; D344-L348 PolarHBondContact O-N 3.31Å
345L48.6Very low39.8Very low32 Ų3288.4 Ų88.417%0.16849%0.49CS..Hα-helixtrans-57.8-40.7169.9-94.4152.2000111.3L301 Y341 K347 L348 S349L301-L345 HydrophobicContact CD1-CD2 4Å; Y341-L345 WeakPolarHBondContact O-CD1 3.25Å; Y341-L345 PolarHBondContact O-N 2.96Å; L345-K347 VanDerWaalsContact C-N 3.34Å; L345-K347 PolarHBondContact O-N 3.24Å; L345-L348 PolarHBondContact O-N 3.14Å; L345-S349 WeakPolarHBondContact O-CB 3.24Å; L345-S349 PolarHBondContact O-N 3.47Å; L345-S349 PolarHBondContact O-OG 3.32Å; L345-S349 VanDerWaalsContact O-OG 3.08Å
346S47.6Very low40.3Very low51 Ų5182.9 Ų82.936%0.35747%0.467SS..Hα-helixtrans-67.2-31.4177.981.60000113.6C342 E343 D344 S349 K350C342-S346 WeakPolarHBondContact O-CB 3.4Å; C342-S346 PolarHBondContact O-N 3.44Å; E343-S346 PolarHBondContact O-N 3.42Å; E343-S346 PolarHBondContact O-OG 3.39Å; D344-S346 VanDerWaalsContact C-N 3.27Å; D344-S346 PolarHBondContact O-N 3.2Å; S346-S349 WeakPolarHBondContact CA-OG 3.3Å; S346-S349 PolarHBondContact O-OG 3.42Å; S346-S349 VanDerWaalsContact O-OG 3.12Å; S346-K350 VanDerWaalsContact O-CG 3.29Å; S346-K350 WeakPolarHBondContact O-CG 3.44Å; S346-K350 PolarHBondContact O-N 3.31Å
347K52.9Low41Very low128 Ų12881.6 Ų81.656%0.55745%0.451SS*.Hα-helixtrans-74-42.8175.7-72.7174.7-172.5160.80111.5E343 D344 L345E343-K347 PolarHBondContact O-N 3.01Å; E343-K347 VanDerWaalsContact O-N 3.14Å; D344-K347 PolarHBondContact O-N 3.43Å; D344-K347 IonicContact OD1-NZ 3.93Å; L345-K347 VanDerWaalsContact C-N 3.34Å; L345-K347 PolarHBondContact O-N 3.24Å
348L50.8Low41.6Very low5 Ų578.6 Ų78.63%0.02644%0.441CS..Hα-helixtrans-71.6-35.3174.9-85.4108000112.6I297 D344 L345 K350 L351I297-L348 HydrophobicContact CB-CD2 4.22Å; I297-L348 HydrophobicContact CG2-CD2 3.36Å; D344-L348 WeakPolarHBondContact O-CD1 3.37Å; D344-L348 PolarHBondContact O-N 3.31Å; L345-L348 PolarHBondContact O-N 3.14Å; L348-K350 VanDerWaalsContact C-N 3.29Å; L348-K350 PolarHBondContact O-N 3.4Å; L348-L351 WeakPolarHBondContact O-CB 3.17Å; L348-L351 PolarHBondContact O-N 3.09Å
349S43.1Very low42.4Very low36 Ų3681 Ų8125%0.25245%0.448SS..Hα-helixtrans-68.9-27.8175.970.60000112.4L345 S346 L351 K352 L353L345-S349 WeakPolarHBondContact O-CB 3.24Å; L345-S349 PolarHBondContact O-N 3.47Å; L345-S349 PolarHBondContact O-OG 3.32Å; L345-S349 VanDerWaalsContact O-OG 3.08Å; S346-S349 WeakPolarHBondContact CA-OG 3.3Å; S346-S349 PolarHBondContact O-OG 3.42Å; S346-S349 VanDerWaalsContact O-OG 3.12Å; S349-L351 VanDerWaalsContact C-N 3.34Å; S349-K352 CarbonylContact O-C 3.57Å; S349-K352 PolarHBondContact O-N 3.01Å; S349-K352 VanDerWaalsContact O-N 3.14Å; S349-L353 WeakPolarHBondContact O-CB 3.46Å; S349-L353 WeakPolarHBondContact O-CG 3.43Å; S349-L353 PolarHBondContact O-N 2.84Å
350K41.5Very low43.5Very low142 Ų14284 Ų8462%0.61745%0.45SS*.Hα-helixtrans-62.5-37.8172.4-85.2173.6-178.9178.70112.7S346 L348 K352 L353 D354S346-K350 VanDerWaalsContact O-CG 3.29Å; S346-K350 WeakPolarHBondContact O-CG 3.44Å; S346-K350 PolarHBondContact O-N 3.31Å; L348-K350 VanDerWaalsContact C-N 3.29Å; L348-K350 PolarHBondContact O-N 3.4Å; K350-K352 PolarHBondContact O-N 3.02Å; K350-L353 PolarHBondContact O-N 3.42Å; K350-D354 PolarHBondContact O-N 3.14Å
351L41.3Very low45.4Very low96 Ų9682.1 Ų82.150%0.50344%0.435SS..Hα-helixtrans-61.5-32173-80152.6000111.9L348 S349L348-L351 WeakPolarHBondContact O-CB 3.17Å; L348-L351 PolarHBondContact O-N 3.09Å; S349-L351 VanDerWaalsContact C-N 3.34Å
352K40.6Very low47.7Very low32 Ų3284.5 Ų84.514%0.13945%0.447CS..Hα-helixtrans-89.6-24.6179.3-146.7172.9-177.2171.70114S298 L301 S349 K350 D354 D355 N356S298-K352 WeakPolarHBondContact O-CE 3.31Å; S298-K352 PolarHBondContact O-NZ 3.48Å; L301-K352 HydrophobicContact CB-CD 4.02Å; L301-K352 HydrophobicContact CD2-CB 4.24Å; L301-K352 HydrophobicContact CD2-CD 3.96Å; L301-K352 PolarHBondContact O-NZ 3.18Å; S349-K352 CarbonylContact O-C 3.57Å; S349-K352 PolarHBondContact O-N 3.01Å; S349-K352 VanDerWaalsContact O-N 3.14Å; K350-K352 PolarHBondContact O-N 3.02Å; K352-D354 VanDerWaalsContact C-N 3.29Å; K352-D355 CarbonylContact O-C 3.54Å; K352-D355 WeakPolarHBondContact O-CA 3.49Å; K352-D355 PolarHBondContact O-N 3.33Å; K352-N356 PolarHBondContact O-N 3.17Å
353L34Very low49.9Very low111 Ų11183.7 Ų83.758%0.58144%0.437SS*.Hα-helixtrans-70.8-24.6175.5-83.8161.7000112.6S349 K350 D355S349-L353 WeakPolarHBondContact O-CB 3.46Å; S349-L353 WeakPolarHBondContact O-CG 3.43Å; S349-L353 PolarHBondContact O-N 2.84Å; K350-L353 PolarHBondContact O-N 3.42Å; L353-D355 PolarHBondContact O-N 2.94Å
354D36.4Very low52.1Low128 Ų12878.4 Ų78.468%0.68441%0.414SS*.THydrogen-bonded Turntrans-68.2-20.2166.9-81.8-19.3000112.3K350 K352 K357K350-D354 PolarHBondContact O-N 3.14Å; K352-D354 VanDerWaalsContact C-N 3.29Å; D354-K357 WeakPolarHBondContact O-CE 3.43Å
355D39.4Very low54.2Low107 Ų10777.4 Ų77.457%0.57241%0.409SS*.THydrogen-bonded Turntrans-102.3-21.8178.7-76.5-24.9000114.4K352 L353 K357K352-D355 CarbonylContact O-C 3.54Å; K352-D355 WeakPolarHBondContact O-CA 3.49Å; K352-D355 PolarHBondContact O-N 3.33Å; L353-D355 PolarHBondContact O-N 2.94Å; D355-K357 PolarHBondContact O-N 3.16Å
356N37.6Very low56.4Low83 Ų8377.2 Ų77.244%0.44441%0.407SS..  trans-77.159.7171-89.7-11.1000110.7S303 K352S303-N356 WeakPolarHBondContact CB-ND2 3.41Å; K352-N356 PolarHBondContact O-N 3.17Å
357K43.6Very low58.6Low97 Ų9776.1 Ų76.142%0.42240%0.396SS..  trans-70.3128.9170-69.7166.7-175.41600107.6D354 D355 D361 D363D354-K357 WeakPolarHBondContact O-CE 3.43Å; D355-K357 PolarHBondContact O-N 3.16Å; K357-D361 HydrophobicContact CB-CB 3.46Å; K357-D361 VanDerWaalsContact CB-CB 3.46Å; K357-D361 HydrophobicContact CD-CB 4.26Å; K357-D361 WeakPolarHBondContact CD-OD1 3.09Å; K357-D361 IonicContact NZ-OD1 3.25Å; K357-D363 IonicContact NZ-OD2 2.77Å; K357-D363 PolarHBondContact NZ-OD2 3.41Å
358G42.1Very low60.5Low58 Ų5876 Ų7660%0.59839%0.392SS*.  trans-61.7-163.1174.900000112.2D360 D361G358-D360 PolarHBondContact O-N 2.91Å; G358-D361 PolarHBondContact O-N 3.15Å
359D46.8Very low62.6Low145 Ų14576.3 Ų76.378%0.77539%0.393SS*.THydrogen-bonded Turntrans-53.6-5.6178.1-95.54.2000115.4K308K308-D359 IonicContact NZ-OD1 3.49Å; K308-D359 PolarHBondContact NZ-OD1 2.94Å
360D59.1Low65Low120 Ų12074.6 Ų74.664%0.64238%0.381SS*.THydrogen-bonded Turntrans-97.416.7171.7-149.618.2000113.8G358 K362 H367G358-D360 PolarHBondContact O-N 2.91Å; D360-K362 PolarHBondContact O-N 3.37Å; D360-H367 IonicContact OD1-CE1 3.84Å
361D76.9Confident67.3Low33 Ų3374.7 Ų74.718%0.17638%0.381CS..  trans-64103.5170.6-173.610.7000110.2K357 G358 D363 S364 H367K357-D361 HydrophobicContact CB-CB 3.46Å; K357-D361 VanDerWaalsContact CB-CB 3.46Å; K357-D361 HydrophobicContact CD-CB 4.26Å; K357-D361 WeakPolarHBondContact CD-OD1 3.09Å; K357-D361 IonicContact NZ-OD1 3.25Å; G358-D361 PolarHBondContact O-N 3.15Å; D361-D363 PolarHBondContact O-N 3.34Å; D361-D363 WeakPolarHBondContact OD1-CB 3.29Å; D361-D363 PolarHBondContact OD1-N 3.31Å; D361-S364 PolarHBondContact O-N 2.82Å; D361-S364 PolarHBondContact OD2-N 3.19Å; D361-H367 WeakPolarHBondContact O-CB 3.41Å; D361-H367 PolarHBondContact O-ND1 3.4Å
362K84.8Confident69.8Low139 Ų13971.4 Ų71.460%0.60436%0.364SS*.THydrogen-bonded Turntrans-67.4-16.9178.1-65.8-178-179.6174.10112.8D360 K438D360-K362 PolarHBondContact O-N 3.37Å; K362-K438 WeakPolarHBondContact O-CG 3.1Å
363D84.2Confident72.3Confident65 Ų6570 Ų7035%0.34836%0.357SS..THydrogen-bonded Turntrans-89.9-16.9179.8-57-45.5000112.1Q83 K357 D361 I365Q83-D363 PolarHBondContact OE1-O 3.24Å; K357-D363 IonicContact NZ-OD2 2.77Å; K357-D363 PolarHBondContact NZ-OD2 3.41Å; D361-D363 PolarHBondContact O-N 3.34Å; D361-D363 WeakPolarHBondContact OD1-CB 3.29Å; D361-D363 PolarHBondContact OD1-N 3.31Å; D363-I365 PolarHBondContact O-N 3.08Å
364S91.8Very high75.2Confident17 Ų1766.4 Ų66.412%0.11934%0.338CS..SBendtrans-62.6133.2173173.20000110.9E144 D361 F366 H367 K438E144-S364 VanDerWaalsContact CD-OG 3.31Å; E144-S364 WeakPolarHBondContact OE1-CA 3.19Å; E144-S364 PolarHBondContact OE1-OG 3.47Å; E144-S364 PolarHBondContact OE2-OG 3.46Å; D361-S364 PolarHBondContact O-N 2.82Å; D361-S364 PolarHBondContact OD2-N 3.19Å; S364-F366 PolarHBondContact O-N 3.36Å; S364-F366 VanDerWaalsContact O-N 3.16Å; S364-F366 PolarHBondContact OG-N 2.94Å; S364-F366 VanDerWaalsContact OG-N 3.17Å; S364-H367 WeakPolarHBondContact O-CB 3.29Å; S364-H367 PolarHBondContact O-N 3Å; S364-K438 WeakPolarHBondContact O-CD 3.36Å
365I95Very high77.9Confident1 Ų164.7 Ų64.71%0.00532%0.322CS..THydrogen-bonded Turntrans-51.8-38.9172.4-63.7177.4000110.2C80 E144 D363 H367 W369 Y391 K438C80-I365 HydrophobicContact CB-CD1 3.84Å; E144-I365 HydrophobicContact CG-CB 4.03Å; E144-I365 HydrophobicContact CG-CD1 4.15Å; E144-I365 HydrophobicContact CG-CG1 4.26Å; E144-I365 WeakPolarHBondContact OE1-CB 3.35Å; E144-I365 WeakPolarHBondContact OE1-CG1 3.22Å; E144-I365 PolarHBondContact OE1-N 3.12Å; D363-I365 PolarHBondContact O-N 3.08Å; I365-H367 VanDerWaalsContact C-N 3.26Å; I365-H367 PolarHBondContact O-N 3.18Å; I365-W369 HydrophobicContact CG2-CH2 3.34Å; I365-W369 HydrophobicContact CG2-CZ2 3.39Å; I365-W369 HydrophobicContact CG2-CZ3 4.07Å; I365-W369 VanDerWaalsContact O-CE2 3.26Å; I365-W369 PolarHBondContact O-NE1 2.74Å; I365-Y391 HydrophobicContact CD1-CD1 4.47Å; I365-Y391 HydrophobicContact CD1-CG 4.05Å; I365-Y391 HydrophobicContact CG1-CD1 3.9Å; I365-Y391 HydrophobicContact CG1-CG 3.99Å; I365-Y391 HydrophobicContact CG2-CD1 4.28Å; I365-Y391 HydrophobicContact CG2-CD2 4.43Å; I365-Y391 HydrophobicContact CG2-CE1 4.16Å; I365-Y391 HydrophobicContact CG2-CE2 4.35Å; I365-Y391 HydrophobicContact CG2-CG 4.41Å; I365-K438 PolarHBondContact O-NZ 3.09Å
366F94.9Very high80.6Confident28 Ų2859.9 Ų59.912%0.12330%0.296CS..THydrogen-bonded Turntrans-76.6-9-177-57-28.9000114E144 S364 R368 W369 I374 F377 K378E144-F366 HydrophobicContact CB-CD2 4.36Å; E144-F366 HydrophobicContact CB-CE2 3.64Å; E144-F366 HydrophobicContact CB-CZ 3.83Å; E144-F366 HydrophobicContact CG-CD2 4.22Å; E144-F366 HydrophobicContact CG-CE1 4.24Å; E144-F366 HydrophobicContact CG-CE2 3.83Å; E144-F366 HydrophobicContact CG-CZ 3.84Å; S364-F366 PolarHBondContact O-N 3.36Å; S364-F366 VanDerWaalsContact O-N 3.16Å; S364-F366 PolarHBondContact OG-N 2.94Å; S364-F366 VanDerWaalsContact OG-N 3.17Å; F366-R368 PolarHBondContact O-N 3.09Å; F366-R368 VanDerWaalsContact O-N 3.07Å; F366-W369 AromaticContact CD1-CE3 3.79Å; F366-W369 HydrophobicContact CD1-CE3 3.79Å; F366-W369 AromaticContact CD1-CZ3 3.85Å; F366-W369 HydrophobicContact CD1-CZ3 3.85Å; F366-W369 HydrophobicContact CE1-CE3 4.39Å; F366-W369 HydrophobicContact CE1-CZ3 4.04Å; F366-W369 WeakPolarHBondContact O-CB 3.12Å; F366-W369 PolarHBondContact O-N 2.83Å; F366-I374 HydrophobicContact CB-CD1 3.98Å; F366-I374 HydrophobicContact CB-CG1 4.02Å; F366-I374 HydrophobicContact CD1-CG1 4.19Å; F366-I374 HydrophobicContact CD1-CG2 4.21Å; F366-I374 HydrophobicContact CD2-CG2 4.06Å; F366-I374 HydrophobicContact CE1-CG2 4.47Å; F366-I374 HydrophobicContact CE2-CG2 4.31Å; F366-I374 HydrophobicContact CG-CG1 4.17Å; F366-I374 HydrophobicContact CG-CG2 4.01Å; F366-F377 HydrophobicContact CE1-CB 4.09Å; F366-F377 AromaticContact CE1-CD1 3.55Å; F366-F377 HydrophobicContact CE1-CD1 3.55Å; F366-F377 HydrophobicContact CE1-CD2 4.26Å; F366-F377 AromaticContact CE1-CE1 3.97Å; F366-F377 HydrophobicContact CE1-CE1 3.97Å; F366-F377 AromaticContact CE1-CG 3.71Å; F366-F377 HydrophobicContact CE1-CG 3.71Å; F366-F377 HydrophobicContact CE1-CZ 4.46Å; F366-F377 AromaticContact CZ-CD1 3.46Å; F366-F377 HydrophobicContact CZ-CD1 3.46Å; F366-F377 VanDerWaalsContact CZ-CD1 3.46Å; F366-F377 AromaticContact CZ-CE1 3.75Å; F366-F377 HydrophobicContact CZ-CE1 3.75Å; F366-F377 HydrophobicContact CZ-CG 4.1Å; F366-K378 HydrophobicContact CZ-CG 4.37Å
367H94.2Very high83.4Confident27 Ų2756 Ų5613%0.12528%0.275CS..THydrogen-bonded Turntrans-56119.4-179-175.473.3000110.9D360 D361 S364 I365 W369 K438D360-H367 IonicContact OD1-CE1 3.84Å; D361-H367 WeakPolarHBondContact O-CB 3.41Å; D361-H367 PolarHBondContact O-ND1 3.4Å; S364-H367 WeakPolarHBondContact O-CB 3.29Å; S364-H367 PolarHBondContact O-N 3Å; I365-H367 VanDerWaalsContact C-N 3.26Å; I365-H367 PolarHBondContact O-N 3.18Å; H367-W369 PolarHBondContact O-N 2.93Å; H367-K438 HydrophobicContact CB-CD 4.12Å; H367-K438 PolarHBondContact O-NZ 3.23Å
368R93.1Very high85.9Confident126 Ų12652.9 Ų52.948%0.47526%0.262SS..THydrogen-bonded Turntrans63.27.2-176.9-59.4-176.660.6-173.8-7.1116.7F366 L433 T435F366-R368 PolarHBondContact O-N 3.09Å; F366-R368 VanDerWaalsContact O-N 3.07Å; R368-L433 HydrophobicContact CB-CD1 4.47Å; R368-L433 HydrophobicContact CB-CD2 4.49Å; R368-L433 PolarHBondContact NH1-O 3.06Å; R368-L433 PolarHBondContact NH2-O 3.28Å; R368-L433 VanDerWaalsContact NH2-O 3.15Å; R368-L433 WeakPolarHBondContact O-CD1 3.23Å; R368-L433 WeakPolarHBondContact O-CD2 3.42Å; R368-T435 HydrophobicContact CB-CG2 4.21Å; R368-T435 HydrophobicContact CG-CG2 4.26Å
369W93.7Very high88.4Confident11 Ų1153.3 Ų53.34%0.04225%0.247CC..  trans-64.9148.2172.7-81.913.5000111.7I365 F366 H367 L373 I374 F377 M387 Y391 E430I365-W369 HydrophobicContact CG2-CH2 3.34Å; I365-W369 HydrophobicContact CG2-CZ2 3.39Å; I365-W369 HydrophobicContact CG2-CZ3 4.07Å; I365-W369 VanDerWaalsContact O-CE2 3.26Å; I365-W369 PolarHBondContact O-NE1 2.74Å; F366-W369 AromaticContact CD1-CE3 3.79Å; F366-W369 HydrophobicContact CD1-CE3 3.79Å; F366-W369 AromaticContact CD1-CZ3 3.85Å; F366-W369 HydrophobicContact CD1-CZ3 3.85Å; F366-W369 HydrophobicContact CE1-CE3 4.39Å; F366-W369 HydrophobicContact CE1-CZ3 4.04Å; F366-W369 WeakPolarHBondContact O-CB 3.12Å; F366-W369 PolarHBondContact O-N 2.83Å; H367-W369 PolarHBondContact O-N 2.93Å; W369-L373 HydrophobicContact CB-CD2 4.41Å; W369-L373 HydrophobicContact CD2-CD2 3.62Å; W369-L373 HydrophobicContact CD2-CG 4.24Å; W369-L373 HydrophobicContact CE3-CB 4.27Å; W369-L373 HydrophobicContact CE3-CD2 3.67Å; W369-L373 HydrophobicContact CE3-CG 3.77Å; W369-L373 HydrophobicContact CG-CD2 3.98Å; W369-L373 HydrophobicContact CZ3-CD2 4.19Å; W369-L373 HydrophobicContact CZ3-CG 4.13Å; W369-I374 HydrophobicContact CB-CD1 4.08Å; W369-I374 HydrophobicContact CB-CG1 3.75Å; W369-I374 HydrophobicContact CE3-CG1 4.21Å; W369-F377 HydrophobicContact CH2-CD2 4.34Å; W369-F377 HydrophobicContact CZ3-CB 4.34Å; W369-F377 HydrophobicContact CZ3-CD2 4.16Å; W369-F377 HydrophobicContact CZ3-CG 4.49Å; W369-M387 HydrophobicContact CH2-CE 3.33Å; W369-M387 HydrophobicContact CH2-SD 4.31Å; W369-M387 HydrophobicContact CZ2-CE 3.7Å; W369-M387 HydrophobicContact CZ3-CE 4.45Å; W369-Y391 HydrophobicContact CZ2-CE2 4.25Å; W369-Y391 AromaticContact CZ2-CZ 3.88Å; W369-Y391 WeakPolarHBondContact CZ2-OH 3.46Å; W369-E430 PolarHBondContact NE1-OE1 2.96Å
370P93.1Very high90.8Very high1 Ų147.3 Ų47.31%0.00622%0.215CC..  trans-58.9141.2169.3-21.332.4000111.4E372 L373 I374 F618 F626P370-E372 PolarHBondContact O-N 3.33Å; P370-E372 VanDerWaalsContact O-N 3.16Å; P370-L373 HydrophobicContact CB-CB 4.49Å; P370-L373 WeakPolarHBondContact O-CA 3.48Å; P370-L373 WeakPolarHBondContact O-CB 3.37Å; P370-L373 PolarHBondContact O-N 3.13Å; P370-I374 PolarHBondContact O-N 2.88Å; P370-F618 HydrophobicContact CB-CD2 4.4Å; P370-F618 HydrophobicContact CG-CD2 3.59Å; P370-F618 HydrophobicContact CG-CE2 3.71Å; P370-F618 HydrophobicContact CG-CG 4.03Å; P370-F618 HydrophobicContact CG-CZ 4.23Å; P370-F626 HydrophobicContact CB-CE1 3.85Å; P370-F626 HydrophobicContact CG-CE1 4.42Å
371K91.1Very high92.6Very high143 Ų14343.9 Ų43.962%0.62220%0.195SC*.Hα-helixtrans-53.1-40.8-176.4-69.5176.2178.3168.60112.8L373 I374 R375 E625K371-L373 VanDerWaalsContact C-N 3.33Å; K371-L373 PolarHBondContact O-N 3.44Å; K371-I374 PolarHBondContact O-N 3.25Å; K371-R375 PolarHBondContact O-N 3.16Å; K371-E625 IonicContact NZ-OE1 3.02Å; K371-E625 PolarHBondContact NZ-OE1 3.07Å
372E92.5Very high93.6Very high28 Ų2842.3 Ų42.313%0.13119%0.187CC..Hα-helixtrans-66.8-33.7178.2179.261.8-164.800112.6P370 I374 R375 R376 V614 L631P370-E372 PolarHBondContact O-N 3.33Å; P370-E372 VanDerWaalsContact O-N 3.16Å; E372-I374 VanDerWaalsContact C-N 3.35Å; E372-R375 WeakPolarHBondContact O-CB 3.43Å; E372-R375 PolarHBondContact O-N 3.02Å; E372-R375 IonicContact OE1-CZ 3.86Å; E372-R375 IonicContact OE1-NE 2.69Å; E372-R375 PolarHBondContact OE1-NE 3.45Å; E372-R375 IonicContact OE1-NH2 2.66Å; E372-R375 PolarHBondContact OE1-NH2 2.93Å; E372-R375 WeakPolarHBondContact OE2-CD 3.34Å; E372-R375 IonicContact OE2-CZ 3.66Å; E372-R375 IonicContact OE2-NE 3.58Å; E372-R375 PolarHBondContact OE2-NE 2.77Å; E372-R376 HydrophobicContact CG-CG 4.43Å; E372-R376 WeakPolarHBondContact O-CG 3.43Å; E372-R376 PolarHBondContact O-N 2.94Å; E372-R376 WeakPolarHBondContact OE1-CG 3.36Å; E372-R376 IonicContact OE1-CZ 3.91Å; E372-R376 IonicContact OE1-NE 3.71Å; E372-R376 PolarHBondContact OE1-NE 3.24Å; E372-R376 IonicContact OE1-NH2 2.59Å; E372-V614 HydrophobicContact CG-CG2 3.86Å; E372-L631 HydrophobicContact CB-CD1 4.32Å; E372-L631 HydrophobicContact CG-CD1 3.5Å; E372-L631 HydrophobicContact CG-CD2 3.92Å; E372-L631 HydrophobicContact CG-CG 4.37Å
373L94.5Very high94.1Very high1 Ų136.5 Ų36.51%0.00516%0.163CC..Hα-helixtrans-65.1-43.8176.8-165.865.4000110.7W369 P370 K371 R375 R376 F377 L382 L429 L611 V614W369-L373 HydrophobicContact CB-CD2 4.41Å; W369-L373 HydrophobicContact CD2-CD2 3.62Å; W369-L373 HydrophobicContact CD2-CG 4.24Å; W369-L373 HydrophobicContact CE3-CB 4.27Å; W369-L373 HydrophobicContact CE3-CD2 3.67Å; W369-L373 HydrophobicContact CE3-CG 3.77Å; W369-L373 HydrophobicContact CG-CD2 3.98Å; W369-L373 HydrophobicContact CZ3-CD2 4.19Å; W369-L373 HydrophobicContact CZ3-CG 4.13Å; P370-L373 HydrophobicContact CB-CB 4.49Å; P370-L373 WeakPolarHBondContact O-CA 3.48Å; P370-L373 WeakPolarHBondContact O-CB 3.37Å; P370-L373 PolarHBondContact O-N 3.13Å; K371-L373 VanDerWaalsContact C-N 3.33Å; K371-L373 PolarHBondContact O-N 3.44Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 3.19Å; L373-R376 PolarHBondContact O-N 2.7Å; L373-F377 PolarHBondContact O-N 3.1Å; L373-L382 HydrophobicContact CD1-CD1 3.69Å; L373-L382 HydrophobicContact CG-CD1 4.24Å; L373-L429 HydrophobicContact CD2-CD2 3.4Å; L373-L429 VanDerWaalsContact CD2-CD2 3.4Å; L373-L611 HydrophobicContact CD1-CD1 3.68Å; L373-V614 HydrophobicContact CB-CG1 4.05Å; L373-V614 HydrophobicContact CD1-CB 4.32Å; L373-V614 HydrophobicContact CD1-CG1 4.15Å; L373-V614 HydrophobicContact CD1-CG2 4.47Å
374I94.8Very high94.7Very high36 Ų3633.4 Ų33.419%0.18515%0.146CC..Hα-helixtrans-60.5-45.5174.8-57.9169.6000109.8F366 W369 P370 K371 E372 R376 F377 K378F366-I374 HydrophobicContact CB-CD1 3.98Å; F366-I374 HydrophobicContact CB-CG1 4.02Å; F366-I374 HydrophobicContact CD1-CG1 4.19Å; F366-I374 HydrophobicContact CD1-CG2 4.21Å; F366-I374 HydrophobicContact CD2-CG2 4.06Å; F366-I374 HydrophobicContact CE1-CG2 4.47Å; F366-I374 HydrophobicContact CE2-CG2 4.31Å; F366-I374 HydrophobicContact CG-CG1 4.17Å; F366-I374 HydrophobicContact CG-CG2 4.01Å; W369-I374 HydrophobicContact CB-CD1 4.08Å; W369-I374 HydrophobicContact CB-CG1 3.75Å; W369-I374 HydrophobicContact CE3-CG1 4.21Å; P370-I374 PolarHBondContact O-N 2.88Å; K371-I374 PolarHBondContact O-N 3.25Å; E372-I374 VanDerWaalsContact C-N 3.35Å; I374-R376 PolarHBondContact O-N 2.88Å; I374-F377 WeakPolarHBondContact O-CB 3.26Å; I374-F377 PolarHBondContact O-N 2.93Å; I374-K378 HydrophobicContact CG2-CD 4.04Å; I374-K378 HydrophobicContact CG2-CG 4.36Å; I374-K378 WeakPolarHBondContact O-CB 3.43Å; I374-K378 WeakPolarHBondContact O-CG 3.17Å; I374-K378 PolarHBondContact O-N 2.83Å
375R93.1Very high94.8Very high93 Ų9335.8 Ų35.835%0.35116%0.16SC..Hα-helixtrans-56.6-49.8175.9-166.1-165.37770.17.8111.1K371 E372 L373 F377 K378 F379 E381K371-R375 PolarHBondContact O-N 3.16Å; E372-R375 WeakPolarHBondContact O-CB 3.43Å; E372-R375 PolarHBondContact O-N 3.02Å; E372-R375 IonicContact OE1-CZ 3.86Å; E372-R375 IonicContact OE1-NE 2.69Å; E372-R375 PolarHBondContact OE1-NE 3.45Å; E372-R375 IonicContact OE1-NH2 2.66Å; E372-R375 PolarHBondContact OE1-NH2 2.93Å; E372-R375 WeakPolarHBondContact OE2-CD 3.34Å; E372-R375 IonicContact OE2-CZ 3.66Å; E372-R375 IonicContact OE2-NE 3.58Å; E372-R375 PolarHBondContact OE2-NE 2.77Å; L373-R375 VanDerWaalsContact C-N 3.33Å; L373-R375 PolarHBondContact O-N 3.19Å; R375-F377 VanDerWaalsContact C-N 3.3Å; R375-F377 PolarHBondContact O-N 2.74Å; R375-K378 PolarHBondContact O-N 2.89Å; R375-F379 HydrophobicContact CG-CD2 3.77Å; R375-F379 HydrophobicContact CG-CE2 4.02Å; R375-F379 VanDerWaalsContact O-CD2 3.31Å; R375-F379 WeakPolarHBondContact O-CD2 3.39Å; R375-F379 PolarHBondContact O-N 2.92Å; R375-E381 IonicContact CZ-OE1 2.61Å; R375-E381 IonicContact NH1-OE1 3.75Å; R375-E381 PolarHBondContact NH1-OE1 3.19Å; R375-E381 IonicContact NH2-OE1 2.76Å; R375-E381 PolarHBondContact NH2-OE1 3.39Å; R375-E381 IonicContact NH2-OE2 2.68Å
376R95.4Very high94.8Very high6 Ų637 Ų372%0.02317%0.166CC..Hα-helixtrans-64.4-32.8-180-72.9-171.8-176.8-144.3-7.2113.1E372 L373 I374 L380 E381 L382 A610 E613 L631E372-R376 HydrophobicContact CG-CG 4.43Å; E372-R376 WeakPolarHBondContact O-CG 3.43Å; E372-R376 PolarHBondContact O-N 2.94Å; E372-R376 WeakPolarHBondContact OE1-CG 3.36Å; E372-R376 IonicContact OE1-CZ 3.91Å; E372-R376 IonicContact OE1-NE 3.71Å; E372-R376 PolarHBondContact OE1-NE 3.24Å; E372-R376 IonicContact OE1-NH2 2.59Å; L373-R376 PolarHBondContact O-N 2.7Å; I374-R376 PolarHBondContact O-N 2.88Å; R376-L380 PolarHBondContact O-N 3.03Å; R376-E381 HydrophobicContact CB-CB 3.98Å; R376-E381 HydrophobicContact CG-CB 4.17Å; R376-E381 PolarHBondContact O-N 3.42Å; R376-L382 HydrophobicContact CB-CD1 4.49Å; R376-L382 HydrophobicContact CB-CG 4.12Å; R376-L382 PolarHBondContact O-N 3.02Å; R376-L382 VanDerWaalsContact O-N 3.09Å; R376-A610 VanDerWaalsContact NH1-CA 3.27Å; R376-A610 PolarHBondContact NH1-O 3Å; R376-E613 IonicContact CZ-OE2 3.37Å; R376-E613 IonicContact NH1-OE2 2.81Å; R376-E613 PolarHBondContact NH1-OE2 2.88Å; R376-E613 IonicContact NH2-OE2 3.73Å; R376-E613 PolarHBondContact NH2-OE2 3.16Å; R376-L631 PolarHBondContact NH2-O 3.11Å
377F97.4Very high94.9Very high0 Ų035.8 Ų35.80%016%0.161CC..Hα-helixtrans-65.4-54.6170.3-172.5-78.2000111.2C143 F366 W369 L373 I374 R375 F379 L380 L382 P384 M387C143-F377 WeakPolarHBondContact O-CE1 3.28Å; F366-F377 HydrophobicContact CE1-CB 4.09Å; F366-F377 AromaticContact CE1-CD1 3.55Å; F366-F377 HydrophobicContact CE1-CD1 3.55Å; F366-F377 HydrophobicContact CE1-CD2 4.26Å; F366-F377 AromaticContact CE1-CE1 3.97Å; F366-F377 HydrophobicContact CE1-CE1 3.97Å; F366-F377 AromaticContact CE1-CG 3.71Å; F366-F377 HydrophobicContact CE1-CG 3.71Å; F366-F377 HydrophobicContact CE1-CZ 4.46Å; F366-F377 AromaticContact CZ-CD1 3.46Å; F366-F377 HydrophobicContact CZ-CD1 3.46Å; F366-F377 VanDerWaalsContact CZ-CD1 3.46Å; F366-F377 AromaticContact CZ-CE1 3.75Å; F366-F377 HydrophobicContact CZ-CE1 3.75Å; F366-F377 HydrophobicContact CZ-CG 4.1Å; W369-F377 HydrophobicContact CH2-CD2 4.34Å; W369-F377 HydrophobicContact CZ3-CB 4.34Å; W369-F377 HydrophobicContact CZ3-CD2 4.16Å; W369-F377 HydrophobicContact CZ3-CG 4.49Å; L373-F377 PolarHBondContact O-N 3.1Å; I374-F377 WeakPolarHBondContact O-CB 3.26Å; I374-F377 PolarHBondContact O-N 2.93Å; R375-F377 VanDerWaalsContact C-N 3.3Å; R375-F377 PolarHBondContact O-N 2.74Å; F377-F379 VanDerWaalsContact C-N 3.26Å; F377-F379 PolarHBondContact O-N 3.18Å; F377-L380 PolarHBondContact O-N 2.9Å; F377-L382 HydrophobicContact CB-CD1 4.27Å; F377-P384 HydrophobicContact CD2-CG 4.44Å; F377-P384 HydrophobicContact CE1-CG 4.12Å; F377-P384 HydrophobicContact CE2-CB 3.85Å; F377-P384 HydrophobicContact CE2-CG 3.81Å; F377-P384 HydrophobicContact CZ-CB 3.71Å; F377-P384 HydrophobicContact CZ-CG 3.64Å; F377-M387 HydrophobicContact CD2-SD 4.01Å; F377-M387 HydrophobicContact CE2-SD 4Å
378K95.1Very high95Very high33 Ų3334.8 Ų34.814%0.14316%0.157CC..Hα-helixtrans-59.9-33-177.4-74.4-175.4172.8-1700113.2I141 A142 E312 F366 I374 R375I141-K378 HydrophobicContact CD1-CB 4.45Å; I141-K378 HydrophobicContact CD1-CD 4.31Å; I141-K378 HydrophobicContact CG1-CB 4.09Å; A142-K378 WeakPolarHBondContact CB-O 3.34Å; A142-K378 PolarHBondContact N-O 3.39Å; E312-K378 IonicContact OE1-NZ 3.71Å; E312-K378 PolarHBondContact OE1-NZ 2.95Å; E312-K378 IonicContact OE2-NZ 2.69Å; E312-K378 PolarHBondContact OE2-NZ 2.88Å; F366-K378 HydrophobicContact CZ-CG 4.37Å; I374-K378 HydrophobicContact CG2-CD 4.04Å; I374-K378 HydrophobicContact CG2-CG 4.36Å; I374-K378 WeakPolarHBondContact O-CB 3.43Å; I374-K378 WeakPolarHBondContact O-CG 3.17Å; I374-K378 PolarHBondContact O-N 2.83Å; R375-K378 PolarHBondContact O-N 2.89Å
379F95.5Very high95.1Very high66 Ų6629 Ų2929%0.28914%0.136SC..THydrogen-bonded Turntrans-97.714.3176.6-69.3-75.6000114.4Y140 R375 F377 E381Y140-F379 HydrophobicContact CE2-CB 4.45Å; Y140-F379 HydrophobicContact CE2-CD1 4.16Å; Y140-F379 WeakPolarHBondContact CE2-O 3.38Å; Y140-F379 WeakPolarHBondContact O-CE1 3.45Å; Y140-F379 PolarHBondContact OH-O 3.49Å; Y140-F379 VanDerWaalsContact OH-O 3.1Å; R375-F379 HydrophobicContact CG-CD2 3.77Å; R375-F379 HydrophobicContact CG-CE2 4.02Å; R375-F379 VanDerWaalsContact O-CD2 3.31Å; R375-F379 WeakPolarHBondContact O-CD2 3.39Å; R375-F379 PolarHBondContact O-N 2.92Å; F377-F379 VanDerWaalsContact C-N 3.26Å; F377-F379 PolarHBondContact O-N 3.18Å; F379-E381 PolarHBondContact O-N 3.01Å
380L97.2Very high95.2Very high20 Ų2028.5 Ų28.511%0.10513%0.134CC..THydrogen-bonded Turntrans56.833.8172.6-61.1179.5000115F77 V130 A142 R376 F377 L382 P384F77-L380 HydrophobicContact CB-CD1 3.74Å; F77-L380 HydrophobicContact CD1-CD1 3.8Å; F77-L380 HydrophobicContact CD2-CD1 3.87Å; F77-L380 HydrophobicContact CE1-CD1 4.34Å; F77-L380 HydrophobicContact CE2-CD1 4.4Å; F77-L380 HydrophobicContact CG-CD1 3.53Å; V130-L380 HydrophobicContact CG1-CB 4.26Å; V130-L380 HydrophobicContact CG2-CB 4.06Å; V130-L380 HydrophobicContact CG2-CD1 3.54Å; V130-L380 HydrophobicContact CG2-CG 4.42Å; A142-L380 HydrophobicContact CB-CD1 4.22Å; A142-L380 HydrophobicContact CB-CD2 3.53Å; A142-L380 HydrophobicContact CB-CG 3.78Å; R376-L380 PolarHBondContact O-N 3.03Å; F377-L380 PolarHBondContact O-N 2.9Å; L380-L382 VanDerWaalsContact C-N 3.33Å; L380-L382 CarbonylContact C-O 3.58Å; L380-L382 WeakPolarHBondContact CA-O 3.39Å; L380-P384 HydrophobicContact CD2-CG 3.87Å
381E96Very high95.4Very high47 Ų4728.5 Ų28.522%0.2213%0.134CC..SBendtrans-77-27.5161.9-59.7-176.3-139.900110.5R375 R376 F379 A610R375-E381 IonicContact CZ-OE1 2.61Å; R375-E381 IonicContact NH1-OE1 3.75Å; R375-E381 PolarHBondContact NH1-OE1 3.19Å; R375-E381 IonicContact NH2-OE1 2.76Å; R375-E381 PolarHBondContact NH2-OE1 3.39Å; R375-E381 IonicContact NH2-OE2 2.68Å; R376-E381 HydrophobicContact CB-CB 3.98Å; R376-E381 HydrophobicContact CG-CB 4.17Å; R376-E381 PolarHBondContact O-N 3.42Å; F379-E381 PolarHBondContact O-N 3.01Å; E381-A610 HydrophobicContact CB-CB 4.41Å; E381-A610 WeakPolarHBondContact O-CB 3.47Å
382L97.7Very high95.6Very high1 Ų121.9 Ų21.91%0.00511%0.106CC..SBendtrans-94.2152.3161.5-55.2178.7000110.2L373 R376 F377 L380 P384 A610 L611L373-L382 HydrophobicContact CD1-CD1 3.69Å; L373-L382 HydrophobicContact CG-CD1 4.24Å; R376-L382 HydrophobicContact CB-CD1 4.49Å; R376-L382 HydrophobicContact CB-CG 4.12Å; R376-L382 PolarHBondContact O-N 3.02Å; R376-L382 VanDerWaalsContact O-N 3.09Å; F377-L382 HydrophobicContact CB-CD1 4.27Å; L380-L382 VanDerWaalsContact C-N 3.33Å; L380-L382 CarbonylContact C-O 3.58Å; L380-L382 WeakPolarHBondContact CA-O 3.39Å; L382-P384 WeakPolarHBondContact O-CD 3.41Å; L382-A610 HydrophobicContact CD2-CB 3.96Å; L382-L611 HydrophobicContact CD2-CB 4.14Å
383V96.8Very high95.7Very high16 Ų1626.1 Ų26.110%0.09712%0.12CC..  trans-104.4104.1179.8-177.20000108.8T385 L386 H607V383-T385 VanDerWaalsContact C-N 3.32Å; V383-T385 PolarHBondContact O-N 3.13Å; V383-L386 HydrophobicContact CB-CD1 4Å; V383-L386 HydrophobicContact CB-CG 4.1Å; V383-L386 HydrophobicContact CG1-CD1 4.31Å; V383-L386 HydrophobicContact CG1-CG 4Å; V383-L386 WeakPolarHBondContact O-CB 3.26Å; V383-L386 PolarHBondContact O-N 3.08Å; V383-L386 VanDerWaalsContact O-N 3.08Å; V383-H607 HydrophobicContact CG2-CB 4.16Å; V383-H607 PolarHBondContact N-ND1 3.29Å; V383-H607 PolarHBondContact O-ND1 3.17Å
384P96.2Very high95.6Very high0 Ų030.2 Ų30.20%014%0.142CC..G310 helixtrans-58.5-38.3-173-29.738.6000114.2G79 F377 L380 L382 L386 M387 D388G79-P384 WeakPolarHBondContact O-CB 3.42Å; F377-P384 HydrophobicContact CD2-CG 4.44Å; F377-P384 HydrophobicContact CE1-CG 4.12Å; F377-P384 HydrophobicContact CE2-CB 3.85Å; F377-P384 HydrophobicContact CE2-CG 3.81Å; F377-P384 HydrophobicContact CZ-CB 3.71Å; F377-P384 HydrophobicContact CZ-CG 3.64Å; L380-P384 HydrophobicContact CD2-CG 3.87Å; L382-P384 WeakPolarHBondContact O-CD 3.41Å; P384-L386 PolarHBondContact O-N 3.49Å; P384-L386 VanDerWaalsContact O-N 3.08Å; P384-M387 WeakPolarHBondContact O-CA 3.25Å; P384-M387 WeakPolarHBondContact O-CB 3.42Å; P384-M387 PolarHBondContact O-N 3.15Å; P384-D388 PolarHBondContact O-N 2.75Å
385T93.5Very high95.5Very high68 Ų6828.7 Ų28.742%0.41714%0.136SC..G310 helixtrans-64.3-17.2179.860.50000114V383 M387V383-T385 VanDerWaalsContact C-N 3.32Å; V383-T385 PolarHBondContact O-N 3.13Å; T385-M387 VanDerWaalsContact C-N 3.27Å
386L95.3Very high95.6Very high25 Ų2525 Ų2513%0.13112%0.123CC..G310 helixtrans-80-11.7171.7-65.7-178.5000112.6V383 P384 L422 H607V383-L386 HydrophobicContact CB-CD1 4Å; V383-L386 HydrophobicContact CB-CG 4.1Å; V383-L386 HydrophobicContact CG1-CD1 4.31Å; V383-L386 HydrophobicContact CG1-CG 4Å; V383-L386 WeakPolarHBondContact O-CB 3.26Å; V383-L386 PolarHBondContact O-N 3.08Å; V383-L386 VanDerWaalsContact O-N 3.08Å; P384-L386 PolarHBondContact O-N 3.49Å; P384-L386 VanDerWaalsContact O-N 3.08Å; L386-L422 HydrophobicContact CD1-CD1 4.14Å; L386-H607 HydrophobicContact CD1-CB 4.03Å
387M96.5Very high95.5Very high3 Ų325.7 Ų25.72%0.01513%0.127CC..THydrogen-bonded Turntrans-102.4-14-179.2-49.9-176.366.600112.1W369 F377 P384 T385 C389 M390 Y391 I426W369-M387 HydrophobicContact CH2-CE 3.33Å; W369-M387 HydrophobicContact CH2-SD 4.31Å; W369-M387 HydrophobicContact CZ2-CE 3.7Å; W369-M387 HydrophobicContact CZ3-CE 4.45Å; F377-M387 HydrophobicContact CD2-SD 4.01Å; F377-M387 HydrophobicContact CE2-SD 4Å; P384-M387 WeakPolarHBondContact O-CA 3.25Å; P384-M387 WeakPolarHBondContact O-CB 3.42Å; P384-M387 PolarHBondContact O-N 3.15Å; T385-M387 VanDerWaalsContact C-N 3.27Å; M387-C389 PolarHBondContact O-N 3.45Å; M387-M390 WeakPolarHBondContact O-CB 3.37Å; M387-M390 PolarHBondContact O-N 2.84Å; M387-Y391 HydrophobicContact CB-CD2 3.91Å; M387-Y391 HydrophobicContact CB-CE2 4.17Å; M387-Y391 HydrophobicContact CE-CD2 4.38Å; M387-Y391 HydrophobicContact CE-CE2 3.64Å; M387-Y391 WeakPolarHBondContact O-CD2 3.38Å; M387-Y391 PolarHBondContact O-N 3.01Å; M387-Y391 VanDerWaalsContact O-N 3.17Å; M387-I426 HydrophobicContact CB-CD1 4.3Å; M387-I426 HydrophobicContact CE-CD1 3.91Å; M387-I426 HydrophobicContact CE-CG1 4.27Å; M387-I426 HydrophobicContact CG-CD1 4.05Å
388D96Very high95.3Very high6 Ų627.3 Ų27.33%0.03214%0.136CC..Hα-helixtrans-53.2-39.9-178.4-77.4-27.4000112.7C80 H81 P384 M390 Y391 V392 V396C80-D388 VanDerWaalsContact CA-OD1 3.26Å; C80-D388 WeakPolarHBondContact CA-OD1 3.43Å; C80-D388 VanDerWaalsContact CB-OD1 3.32Å; C80-D388 WeakPolarHBondContact CB-OD1 3.24Å; H81-D388 IonicContact CE1-OD2 2.74Å; H81-D388 PolarHBondContact CE1-OD2 3.03Å; H81-D388 IonicContact CG-OD2 2.94Å; H81-D388 PolarHBondContact N-OD1 3.47Å; H81-D388 IonicContact ND1-OD1 2.98Å; H81-D388 IonicContact ND1-OD2 3.43Å; H81-D388 PolarHBondContact ND1-OD2 2.82Å; P384-D388 PolarHBondContact O-N 2.75Å; D388-M390 PolarHBondContact O-N 3.16Å; D388-Y391 PolarHBondContact O-N 3.24Å; D388-Y391 VanDerWaalsContact O-N 3.14Å; D388-V392 HydrophobicContact CB-CB 4.37Å; D388-V392 HydrophobicContact CB-CG2 3.97Å; D388-V392 WeakPolarHBondContact O-CA 3.25Å; D388-V392 WeakPolarHBondContact O-CB 3.4Å; D388-V392 PolarHBondContact O-N 2.82Å; D388-V392 WeakPolarHBondContact OD1-CG2 3.44Å; D388-V396 HydrophobicContact CB-CG1 3.44Å; D388-V396 VanDerWaalsContact CB-CG1 3.44Å
389C95.1Very high95.2Very high5 Ų530 Ų303%0.03415%0.145CC..Hα-helixtrans-62.3-19.2-178.859.90000113.4M387 V396 N423 G441 I447M387-C389 PolarHBondContact O-N 3.45Å; C389-V396 HydrophobicContact CB-CG1 4Å; C389-V396 HydrophobicContact CB-CG2 3.78Å; C389-V396 VanDerWaalsContact N-CG1 3.33Å; C389-N423 PolarHBondContact SG-OD1 3.33Å; C389-G441 CarbonylContact O-C 3.6Å; C389-I447 HydrophobicContact CB-CB 4.29Å; C389-I447 HydrophobicContact CB-CD1 3.67Å; C389-I447 HydrophobicContact CB-CG2 4.48Å; C389-I447 WeakPolarHBondContact O-CG2 3.14Å
390M96.7Very high95Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-93.6-40.6176.8-55.9-59.9-72.200111.3M387 D388 N423 I426 L427 L439 C440 G441 M442 I447 V465M387-M390 WeakPolarHBondContact O-CB 3.37Å; M387-M390 PolarHBondContact O-N 2.84Å; D388-M390 PolarHBondContact O-N 3.16Å; M390-N423 WeakPolarHBondContact CE-O 3.38Å; M390-N423 HydrophobicContact SD-CB 3.81Å; M390-I426 HydrophobicContact CB-CG2 4.08Å; M390-I426 HydrophobicContact CE-CB 4.27Å; M390-I426 HydrophobicContact CE-CG2 3.96Å; M390-I426 HydrophobicContact CG-CB 4.37Å; M390-I426 HydrophobicContact CG-CD1 4.07Å; M390-I426 HydrophobicContact CG-CG2 3.99Å; M390-L427 HydrophobicContact CE-CB 4.11Å; M390-L439 HydrophobicContact CB-CD2 4Å; M390-L439 HydrophobicContact CE-CD1 4.34Å; M390-L439 HydrophobicContact CE-CD2 4.07Å; M390-L439 CarbonylContact O-C 3.5Å; M390-L439 WeakPolarHBondContact O-CA 3.45Å; M390-C440 PolarHBondContact O-N 3.24Å; M390-G441 PolarHBondContact O-N 2.93Å; M390-M442 HydrophobicContact CE-CG 4.07Å; M390-M442 HydrophobicContact CE-SD 3.33Å; M390-M442 WeakPolarHBondContact CE-SD 3.44Å; M390-M442 HydrophobicContact SD-CG 4.21Å; M390-M442 HydrophobicContact SD-SD 4.15Å; M390-I447 HydrophobicContact SD-CG2 3.84Å; M390-V465 HydrophobicContact CE-CG1 4.37Å; M390-V465 HydrophobicContact SD-CG2 4.48Å
391Y96.9Very high94.9Very high1 Ų126.4 Ų26.40%0.00413%0.129CC..Hα-helixtrans-109.99.1-169.3-60.9-75.9000115.7R145 I365 W369 M387 D388 I426 E430 K438 L439 C440R145-Y391 PolarHBondContact NH1-O 3.07Å; I365-Y391 HydrophobicContact CD1-CD1 4.47Å; I365-Y391 HydrophobicContact CD1-CG 4.05Å; I365-Y391 HydrophobicContact CG1-CD1 3.9Å; I365-Y391 HydrophobicContact CG1-CG 3.99Å; I365-Y391 HydrophobicContact CG2-CD1 4.28Å; I365-Y391 HydrophobicContact CG2-CD2 4.43Å; I365-Y391 HydrophobicContact CG2-CE1 4.16Å; I365-Y391 HydrophobicContact CG2-CE2 4.35Å; I365-Y391 HydrophobicContact CG2-CG 4.41Å; W369-Y391 HydrophobicContact CZ2-CE2 4.25Å; W369-Y391 AromaticContact CZ2-CZ 3.88Å; W369-Y391 WeakPolarHBondContact CZ2-OH 3.46Å; M387-Y391 HydrophobicContact CB-CD2 3.91Å; M387-Y391 HydrophobicContact CB-CE2 4.17Å; M387-Y391 HydrophobicContact CE-CD2 4.38Å; M387-Y391 HydrophobicContact CE-CE2 3.64Å; M387-Y391 WeakPolarHBondContact O-CD2 3.38Å; M387-Y391 PolarHBondContact O-N 3.01Å; M387-Y391 VanDerWaalsContact O-N 3.17Å; D388-Y391 PolarHBondContact O-N 3.24Å; D388-Y391 VanDerWaalsContact O-N 3.14Å; Y391-I426 HydrophobicContact CE2-CG2 3.83Å; Y391-I426 VanDerWaalsContact OH-CG2 3.26Å; Y391-I426 WeakPolarHBondContact OH-CG2 3.28Å; Y391-E430 PolarHBondContact OH-OE1 3.25Å; Y391-K438 HydrophobicContact CD1-CB 4.3Å; Y391-K438 HydrophobicContact CE1-CB 4.11Å; Y391-L439 HydrophobicContact CD1-CD2 4.37Å; Y391-L439 HydrophobicContact CE1-CD2 3.85Å; Y391-C440 PolarHBondContact O-SG 2.79Å
392V95.3Very high94.8Very high5 Ų524.3 Ų24.33%0.0312%0.119CC..SBendtrans-132.3127-179.2-179.60000109.8H81 P82 D388 G441H81-V392 HydrophobicContact CB-CG1 4.28Å; H81-V392 HydrophobicContact CB-CG2 4Å; H81-V392 WeakPolarHBondContact O-CG2 3.42Å; P82-V392 WeakPolarHBondContact O-CG1 3.09Å; D388-V392 HydrophobicContact CB-CB 4.37Å; D388-V392 HydrophobicContact CB-CG2 3.97Å; D388-V392 WeakPolarHBondContact O-CA 3.25Å; D388-V392 WeakPolarHBondContact O-CB 3.4Å; D388-V392 PolarHBondContact O-N 2.82Å; D388-V392 WeakPolarHBondContact OD1-CG2 3.44Å; V392-G441 WeakPolarHBondContact O-CA 3.35Å
393R94.8Very high94.5Very high116 Ų11624.5 Ų24.544%0.43812%0.12SC..THydrogen-bonded Turntrans-65.2162.2178.2-69.3178.2-175-81.9-0111.9Q83 G395 C440Q83-R393 WeakPolarHBondContact O-CB 3.47Å; Q83-R393 VanDerWaalsContact O-CG 3.29Å; Q83-R393 WeakPolarHBondContact O-CG 3.42Å; Q83-R393 PolarHBondContact O-N 3.38Å; R393-G395 PolarHBondContact O-N 3.09Å; R393-C440 HydrophobicContact CG-CB 3.87Å; R393-C440 WeakPolarHBondContact CG-O 3.45Å
394N93Very high94.3Very high88 Ų8824.1 Ų24.147%0.47112%0.118SC..THydrogen-bonded Turntrans68.9-10.7175.7-50.5-40.4000115.8E84 L88 Y450E84-N394 PolarHBondContact O-ND2 2.91Å; E84-N394 VanDerWaalsContact O-ND2 3.17Å; L88-N394 HydrophobicContact CD2-CB 3.65Å; N394-Y450 WeakPolarHBondContact O-CE2 3.47Å
395G93.1Very high94Very high4 Ų424.4 Ų24.44%0.04112%0.119CC..  trans101.6-172.6174.400000113.7R393 T448R393-G395 PolarHBondContact O-N 3.09Å; G395-T448 CarbonylContact C-O 3.55Å; G395-T448 WeakPolarHBondContact CA-O 3.48Å
396V94.4Very high93.7Very high15 Ų1526.7 Ų26.79%0.09113%0.129CC..EExtended strand (participates in β ladder)trans-131.9156-171-60.90000112.9D388 C389 T448 E449 Y450D388-V396 HydrophobicContact CB-CG1 3.44Å; D388-V396 VanDerWaalsContact CB-CG1 3.44Å; C389-V396 HydrophobicContact CB-CG1 4Å; C389-V396 HydrophobicContact CB-CG2 3.78Å; C389-V396 VanDerWaalsContact N-CG1 3.33Å; V396-T448 PolarHBondContact N-O 2.84Å; V396-E449 HydrophobicContact CG2-CG 3.96Å; V396-E449 CarbonylContact O-C 3.59Å; V396-E449 WeakPolarHBondContact O-CA 3.28Å; V396-Y450 PolarHBondContact O-N 3.24Å
397I94.2Very high93.3Very high20 Ų2027.5 Ų27.510%0.10313%0.133CC..EExtended strand (participates in β ladder)trans-125.6128.8166.3-176.6161.2000109.5L91 L92 N95 L458L91-I397 HydrophobicContact CB-CG2 3.53Å; L91-I397 HydrophobicContact CD1-CG2 4.5Å; L92-I397 HydrophobicContact CD2-CB 4.11Å; L92-I397 HydrophobicContact CD2-CD1 3.77Å; L92-I397 HydrophobicContact CD2-CG2 4.13Å; N95-I397 HydrophobicContact CB-CD1 3.65Å; N95-I397 HydrophobicContact CB-CG1 4.48Å; I397-L458 HydrophobicContact CD1-CD1 3.68Å; I397-L458 HydrophobicContact CD1-CD2 3.65Å; I397-L458 HydrophobicContact CD1-CG 4.28Å
398N92.5Very high92.6Very high35 Ų3532.7 Ų32.719%0.18716%0.16CC..PPolyproline II helixtrans-71.7134.2172-64.1-71.5000109.4N95 L400 D412 R419N95-N398 PolarHBondContact OD1-O 2.81Å; N95-N398 VanDerWaalsContact OD1-O 3.13Å; N398-L400 PolarHBondContact O-N 3.4Å; N398-D412 HydrophobicContact CB-CB 4.18Å; N398-D412 WeakPolarHBondContact CB-OD2 3.3Å; N398-R419 PolarHBondContact ND2-NH1 3.44Å; N398-R419 VanDerWaalsContact ND2-NH1 3.13Å; N398-R419 PolarHBondContact OD1-NH1 3.29Å
399R91.9Very high92Very high88 Ų8836.1 Ų36.133%0.33218%0.178SC..PPolyproline II helixtrans-61.7120.6179.5-178177.167.7138.10.6111.2Y98 T121 P122 R123 V401Y98-R399 HydrophobicContact CE2-CG 4.26Å; T121-R399 PolarHBondContact O-NH1 3.24Å; P122-R399 PolarHBondContact O-NH2 3.45Å; R123-R399 PolarHBondContact NH2-O 2.82Å; R123-R399 PolarHBondContact O-NH2 3.48Å; R399-V401 PolarHBondContact O-N 3.17Å
400L93.2Very high91.7Very high9 Ų937.1 Ų37.15%0.04719%0.185CC..PPolyproline II helixtrans-59.3126.9169.6-169.8146.1000109.5N95 F99 L102 I120 N398N95-L400 WeakPolarHBondContact OD1-CB 3.33Å; N95-L400 PolarHBondContact OD1-N 3.13Å; F99-L400 HydrophobicContact CB-CD1 4.04Å; F99-L400 HydrophobicContact CD2-CD1 4.29Å; L102-L400 HydrophobicContact CD2-CD2 4.02Å; I120-L400 HydrophobicContact CD1-CD2 4.31Å; N398-L400 PolarHBondContact O-N 3.4Å
401V93.7Very high91.4Very high2 Ų237.1 Ų37.11%0.01219%0.185CC..  trans-119-173.1171.2-62.60000108.1R123 R399 E403 L411 N596R123-V401 HydrophobicContact CB-CG1 4.18Å; R399-V401 PolarHBondContact O-N 3.17Å; V401-E403 PolarHBondContact O-N 2.96Å; V401-L411 HydrophobicContact CG2-CD2 3.31Å; V401-N596 HydrophobicContact CG2-CB 4.15Å
402M93.3Very high91.1Very high3 Ų337.5 Ų37.52%0.01519%0.187CC..SBendtrans-57.2108.9172.4-66.7-59.4-54.800110.4E47 L102 I118 I120 I589 V592 N596E47-M402 HydrophobicContact CB-CE 3.99Å; E47-M402 HydrophobicContact CB-SD 4.48Å; L102-M402 HydrophobicContact CD1-CE 3.63Å; L102-M402 HydrophobicContact CD1-SD 4.05Å; I118-M402 HydrophobicContact CB-SD 3.96Å; I118-M402 HydrophobicContact CD1-CE 3.58Å; I118-M402 HydrophobicContact CD1-SD 4.02Å; I118-M402 HydrophobicContact CG2-SD 3.73Å; I120-M402 HydrophobicContact CD1-SD 4.28Å; M402-I589 HydrophobicContact CE-CD1 3.99Å; M402-V592 HydrophobicContact CB-CG1 3.81Å; M402-N596 PolarHBondContact O-ND2 2.96Å
403E92.8Very high90.9Very high5 Ų540 Ų402%0.02320%0.199CC..  trans-143.3155.1-178.675172156.900110.8L102 V401 I405 S410 L411 R452 I589L102-E403 HydrophobicContact CD2-CG 4.47Å; L102-E403 WeakPolarHBondContact CD2-O 3.35Å; V401-E403 PolarHBondContact O-N 2.96Å; E403-I405 HydrophobicContact CG-CG2 3.93Å; E403-I405 PolarHBondContact O-N 3.17Å; E403-I405 VanDerWaalsContact O-N 3.16Å; E403-S410 VanDerWaalsContact OE2-CA 3.23Å; E403-S410 WeakPolarHBondContact OE2-CA 3.33Å; E403-S410 WeakPolarHBondContact OE2-CB 3.33Å; E403-L411 HydrophobicContact CB-CD2 3.56Å; E403-L411 HydrophobicContact CB-CG 4.43Å; E403-L411 PolarHBondContact OE2-N 2.88Å; E403-R452 IonicContact OE1-CZ 3.59Å; E403-R452 IonicContact OE1-NE 4Å; E403-R452 PolarHBondContact OE1-NE 3.28Å; E403-R452 IonicContact OE1-NH2 3.2Å; E403-I589 WeakPolarHBondContact O-CG1 3.39Å
404D91.3Very high90.9Very high9 Ų934.7 Ų34.75%0.04818%0.179CC..  trans-66.8113.1164.3-170.4-0.2000109.7N406 I407 I589 H593D404-N406 WeakPolarHBondContact OD1-CB 3.49Å; D404-N406 PolarHBondContact OD1-N 3.3Å; D404-N406 PolarHBondContact OD1-ND2 2.93Å; D404-I407 HydrophobicContact CB-CG1 4.35Å; D404-I407 WeakPolarHBondContact O-CG1 3.37Å; D404-I589 HydrophobicContact CB-CG1 4.2Å; D404-I589 HydrophobicContact CB-CG2 4.07Å; D404-H593 HydrophobicContact CB-CB 4.22Å; D404-H593 PolarHBondContact N-ND1 2.96Å; D404-H593 VanDerWaalsContact N-ND1 3.13Å
405I90.6Very high91Very high5 Ų530.5 Ų30.53%0.02616%0.157CC..SBendtrans-89.8-7.8179.155.8167.3000112.9F99 L102 S103 L106 E403 I407F99-I405 HydrophobicContact CD2-CB 4.32Å; F99-I405 HydrophobicContact CD2-CD1 4.44Å; F99-I405 HydrophobicContact CD2-CG2 3.97Å; F99-I405 HydrophobicContact CE2-CB 3.83Å; F99-I405 HydrophobicContact CE2-CD1 4.01Å; F99-I405 HydrophobicContact CE2-CG1 4.5Å; F99-I405 HydrophobicContact CE2-CG2 4Å; F99-I405 HydrophobicContact CZ-CD1 4.3Å; L102-I405 HydrophobicContact CD2-CG2 3.58Å; L102-I405 HydrophobicContact CG-CD1 4.32Å; L102-I405 HydrophobicContact CG-CG2 4.22Å; S103-I405 VanDerWaalsContact CA-CD1 3.46Å; L106-I405 HydrophobicContact CD1-CD1 4.08Å; L106-I405 HydrophobicContact CD1-CG1 3.8Å; E403-I405 HydrophobicContact CG-CG2 3.93Å; E403-I405 PolarHBondContact O-N 3.17Å; E403-I405 VanDerWaalsContact O-N 3.16Å; I405-I407 PolarHBondContact O-N 3.3Å
406N87.1Confident91Very high117 Ų11732.4 Ų32.463%0.62617%0.17SC*.SBendtrans-81.2-1.8178.9-57.6-59.4000112.7D404 L454D404-N406 WeakPolarHBondContact OD1-CB 3.49Å; D404-N406 PolarHBondContact OD1-N 3.3Å; D404-N406 PolarHBondContact OD1-ND2 2.93Å; N406-L454 WeakPolarHBondContact O-CD2 3.43Å
407I86.8Confident91.1Very high42 Ų4237 Ų3722%0.21519%0.188CC..SBendtrans-101.7155173.159.3165.1000111.7D404 I405 N409 R452 H517 H593D404-I407 HydrophobicContact CB-CG1 4.35Å; D404-I407 WeakPolarHBondContact O-CG1 3.37Å; I405-I407 PolarHBondContact O-N 3.3Å; I407-N409 VanDerWaalsContact CD1-O 3.27Å; I407-N409 WeakPolarHBondContact CD1-O 3.45Å; I407-N409 WeakPolarHBondContact CG1-O 3.23Å; I407-R452 PolarHBondContact O-NH2 3.48Å; I407-H517 VanDerWaalsContact CD1-CE1 3.42Å; I407-H517 WeakPolarHBondContact CD1-CE1 3.32Å; I407-H593 WeakPolarHBondContact CD1-CE1 3.48Å
408L83.1Confident91.2Very high111 Ų11136.4 Ų36.458%0.58119%0.185SC*.SBendtrans-64.2-47.7-175.9-17767.5000112.6L454L408-L454 HydrophobicContact CB-CD1 4.4Å; L408-L454 HydrophobicContact CD1-CD1 3.8Å; L408-L454 HydrophobicContact CD1-CG 4.14Å
409N81.8Confident91.4Very high79 Ų7935.6 Ų35.642%0.42218%0.179SC..SBendtrans-91.1141.9-175.3-62-20.6000109.6I407 E413I407-N409 VanDerWaalsContact CD1-O 3.27Å; I407-N409 WeakPolarHBondContact CD1-O 3.45Å; I407-N409 WeakPolarHBondContact CG1-O 3.23Å; N409-E413 HydrophobicContact CB-CB 3.96Å; N409-E413 HydrophobicContact CB-CG 4.15Å
410S88.7Confident91.6Very high25 Ų2533.9 Ų33.918%0.17518%0.181CC..  trans-71.4163.6167.867.30000110.7E403 D412 E413E403-S410 VanDerWaalsContact OE2-CA 3.23Å; E403-S410 WeakPolarHBondContact OE2-CA 3.33Å; E403-S410 WeakPolarHBondContact OE2-CB 3.33Å; S410-D412 PolarHBondContact O-N 3.26Å; S410-E413 WeakPolarHBondContact O-CB 3.24Å; S410-E413 PolarHBondContact O-N 3.31Å; S410-E413 VanDerWaalsContact O-N 3.08Å
411L91.5Very high91.8Very high1 Ų134 Ų341%0.00518%0.181CC..G310 helixtrans-56.8-23.9174.869.887.3000112.8V401 E403 E413 C414 N596 E597V401-L411 HydrophobicContact CG2-CD2 3.31Å; E403-L411 HydrophobicContact CB-CD2 3.56Å; E403-L411 HydrophobicContact CB-CG 4.43Å; E403-L411 PolarHBondContact OE2-N 2.88Å; L411-E413 PolarHBondContact O-N 2.87Å; L411-C414 PolarHBondContact O-N 3Å; L411-C414 PolarHBondContact O-SG 3.38Å; L411-N596 HydrophobicContact CD2-CB 3.94Å; L411-E597 HydrophobicContact CB-CG 3.9Å
412D90.3Very high92Very high9 Ų933.9 Ų33.95%0.04818%0.181CC..G310 helixtrans-71.6-11.2-178.6-76.5-62.5000113.1R123 N398 S410 C414 M415 R419 S600R123-D412 IonicContact CZ-OD1 3.01Å; R123-D412 IonicContact CZ-OD2 3.79Å; R123-D412 IonicContact NH1-OD1 2.7Å; R123-D412 PolarHBondContact NH1-OD1 2.96Å; R123-D412 IonicContact NH1-OD2 3.66Å; R123-D412 IonicContact NH2-OD1 3.67Å; R123-D412 PolarHBondContact NH2-OD1 2.98Å; R123-D412 IonicContact NH2-OD2 3.4Å; R123-D412 PolarHBondContact NH2-OD2 2.88Å; N398-D412 HydrophobicContact CB-CB 4.18Å; N398-D412 WeakPolarHBondContact CB-OD2 3.3Å; S410-D412 PolarHBondContact O-N 3.26Å; D412-C414 VanDerWaalsContact C-N 3.3Å; D412-C414 PolarHBondContact O-N 3.14Å; D412-M415 WeakPolarHBondContact O-CB 3.1Å; D412-M415 PolarHBondContact O-N 2.93Å; D412-R419 PolarHBondContact O-NH2 3.36Å; D412-S600 PolarHBondContact OD1-OG 3.14Å
413E91.8Very high92.3Very high57 Ų5733.9 Ų33.927%0.26618%0.181SC..G310 helixtrans-65.9-31.1173.4-171.757-134.300111.8N409 S410 L411 M415 S416 R451N409-E413 HydrophobicContact CB-CB 3.96Å; N409-E413 HydrophobicContact CB-CG 4.15Å; S410-E413 WeakPolarHBondContact O-CB 3.24Å; S410-E413 PolarHBondContact O-N 3.31Å; S410-E413 VanDerWaalsContact O-N 3.08Å; L411-E413 PolarHBondContact O-N 2.87Å; E413-M415 PolarHBondContact O-N 2.9Å; E413-S416 VanDerWaalsContact O-CB 3.28Å; E413-S416 WeakPolarHBondContact O-CB 3.5Å; E413-S416 PolarHBondContact O-N 2.84Å; E413-S416 PolarHBondContact O-OG 3.25Å; E413-S416 WeakPolarHBondContact OE1-CB 3.45Å; E413-S416 PolarHBondContact OE1-OG 2.89Å; E413-S416 VanDerWaalsContact OE1-OG 3.08Å; E413-R451 IonicContact OE2-CZ 2.7Å; E413-R451 IonicContact OE2-NH1 3.35Å; E413-R451 PolarHBondContact OE2-NH1 2.96Å; E413-R451 IonicContact OE2-NH2 2.62Å
414C94Very high92.5Very high4 Ų433.7 Ų33.73%0.02718%0.18CC..G310 helixtrans-59.7-24.9176.175.30000112.6L411 D412 S514 E597L411-C414 PolarHBondContact O-N 3Å; L411-C414 PolarHBondContact O-SG 3.38Å; D412-C414 VanDerWaalsContact C-N 3.3Å; D412-C414 PolarHBondContact O-N 3.14Å; C414-S514 WeakPolarHBondContact O-CB 3.27Å; C414-S514 PolarHBondContact O-OG 2.94Å; C414-E597 HydrophobicContact CB-CB 4.44Å; C414-E597 HydrophobicContact CB-CG 4.25Å
415M94.8Very high92.8Very high1 Ų133.3 Ų33.31%0.00518%0.178CC..G310 helixtrans-88.7-3.6179.2-89.2-66-62.600113.9D412 E413 K417 M418 R419 M601D412-M415 WeakPolarHBondContact O-CB 3.1Å; D412-M415 PolarHBondContact O-N 2.93Å; E413-M415 PolarHBondContact O-N 2.9Å; M415-K417 PolarHBondContact O-N 2.98Å; M415-M418 HydrophobicContact CE-CB 3.85Å; M415-M418 HydrophobicContact CE-CG 3.93Å; M415-M418 HydrophobicContact CE-SD 3.69Å; M415-M418 PolarHBondContact O-N 3.29Å; M415-M418 VanDerWaalsContact O-N 3.16Å; M415-M418 HydrophobicContact SD-CB 4.07Å; M415-M418 HydrophobicContact SD-CE 4.48Å; M415-M418 HydrophobicContact SD-CG 4.41Å; M415-M418 HydrophobicContact SD-SD 3.79Å; M415-R419 VanDerWaalsContact O-CB 3.3Å; M415-R419 WeakPolarHBondContact O-CB 3.4Å; M415-R419 PolarHBondContact O-N 2.98Å; M415-M601 HydrophobicContact CB-SD 4.48Å; M415-M601 HydrophobicContact CG-CG 4.37Å; M415-M601 HydrophobicContact CG-SD 3.68Å; M415-M601 HydrophobicContact SD-CB 4.46Å; M415-M601 HydrophobicContact SD-CG 4.25Å; M415-M601 HydrophobicContact SD-SD 3.3Å
416S94.2Very high93.2Very high44 Ų4433.2 Ų33.231%0.30818%0.177SC..Hα-helixtrans-57.8-46.7-169.664.20000113.4E413 M418 R419 S420E413-S416 VanDerWaalsContact O-CB 3.28Å; E413-S416 WeakPolarHBondContact O-CB 3.5Å; E413-S416 PolarHBondContact O-N 2.84Å; E413-S416 PolarHBondContact O-OG 3.25Å; E413-S416 WeakPolarHBondContact OE1-CB 3.45Å; E413-S416 PolarHBondContact OE1-OG 2.89Å; E413-S416 VanDerWaalsContact OE1-OG 3.08Å; S416-M418 PolarHBondContact O-N 2.78Å; S416-R419 PolarHBondContact O-N 2.87Å; S416-S420 PolarHBondContact O-N 3.39Å
417K95.3Very high93.7Very high111 Ų11128.8 Ų28.848%0.48315%0.154SC..Hα-helixtrans-60.2-46.5176.5-175.2178.6178.9-176.40112.1M415 S420 I421 F487M415-K417 PolarHBondContact O-N 2.98Å; K417-S420 PolarHBondContact O-N 3.44Å; K417-I421 HydrophobicContact CG-CD1 4.5Å; K417-I421 WeakPolarHBondContact O-CG1 3.43Å; K417-I421 PolarHBondContact O-N 3.4Å; K417-F487 WeakPolarHBondContact CE-O 3.28Å
418M97.1Very high94.1Very high7 Ų726.8 Ų26.83%0.03414%0.143CC..Hα-helixtrans-66.9-40.9-179.2-170.4176.9-64.800111.4M415 S416 S420 I421 L422 L510 M601 L605 L608M415-M418 HydrophobicContact CE-CB 3.85Å; M415-M418 HydrophobicContact CE-CG 3.93Å; M415-M418 HydrophobicContact CE-SD 3.69Å; M415-M418 PolarHBondContact O-N 3.29Å; M415-M418 VanDerWaalsContact O-N 3.16Å; M415-M418 HydrophobicContact SD-CB 4.07Å; M415-M418 HydrophobicContact SD-CE 4.48Å; M415-M418 HydrophobicContact SD-CG 4.41Å; M415-M418 HydrophobicContact SD-SD 3.79Å; S416-M418 PolarHBondContact O-N 2.78Å; M418-S420 VanDerWaalsContact C-N 3.35Å; M418-S420 PolarHBondContact O-N 2.71Å; M418-I421 WeakPolarHBondContact O-CB 3.45Å; M418-I421 PolarHBondContact O-N 3.05Å; M418-L422 WeakPolarHBondContact O-CG 3.49Å; M418-L422 PolarHBondContact O-N 3.19Å; M418-L510 HydrophobicContact CE-CD1 3.86Å; M418-M601 HydrophobicContact CE-CE 4.02Å; M418-L605 HydrophobicContact CE-CB 4.07Å; M418-L605 HydrophobicContact CE-CD1 4.09Å; M418-L605 HydrophobicContact SD-CB 4.25Å; M418-L605 PolarHBondContact SD-N 3.18Å; M418-L605 VanDerWaalsContact SD-N 3.42Å; M418-L608 HydrophobicContact CG-CD2 4.05Å; M418-L608 HydrophobicContact SD-CD2 4.39Å
419R95.9Very high94.8Very high18 Ų1821.6 Ų21.67%0.06812%0.116CC..Hα-helixtrans-61.8-41.2175.8-164.2-168.1-44.5-107.6-0.6112N398 D412 M415 S416 I421 L422 N423 E449N398-R419 PolarHBondContact ND2-NH1 3.44Å; N398-R419 VanDerWaalsContact ND2-NH1 3.13Å; N398-R419 PolarHBondContact OD1-NH1 3.29Å; D412-R419 PolarHBondContact O-NH2 3.36Å; M415-R419 VanDerWaalsContact O-CB 3.3Å; M415-R419 WeakPolarHBondContact O-CB 3.4Å; M415-R419 PolarHBondContact O-N 2.98Å; S416-R419 PolarHBondContact O-N 2.87Å; R419-I421 VanDerWaalsContact C-N 3.31Å; R419-I421 PolarHBondContact O-N 3.41Å; R419-L422 WeakPolarHBondContact O-CB 3.38Å; R419-L422 PolarHBondContact O-N 3.48Å; R419-N423 WeakPolarHBondContact O-CB 3.39Å; R419-N423 VanDerWaalsContact O-CG 3.23Å; R419-N423 PolarHBondContact O-N 3.39Å; R419-N423 PolarHBondContact O-ND2 2.85Å; R419-E449 WeakPolarHBondContact CD-OE1 3.42Å; R419-E449 IonicContact NE-OE1 2.91Å
420S96.8Very high95.5Very high52 Ų5217.9 Ų17.936%0.36410%0.096SC..Hα-helixtrans-59.6-42.2174-178.10000111.9S416 K417 M418 G424S416-S420 PolarHBondContact O-N 3.39Å; K417-S420 PolarHBondContact O-N 3.44Å; M418-S420 VanDerWaalsContact C-N 3.35Å; M418-S420 PolarHBondContact O-N 2.71Å; S420-G424 PolarHBondContact O-N 2.85Å
421I97.9Very high95.8Very high11 Ų1120.2 Ų20.26%0.05611%0.107CC..Hα-helixtrans-62.8-46.4174.6-67.3165.2000110.9K417 M418 R419 G424 L425 L468 F483 F487 L488 L608K417-I421 HydrophobicContact CG-CD1 4.5Å; K417-I421 WeakPolarHBondContact O-CG1 3.43Å; K417-I421 PolarHBondContact O-N 3.4Å; M418-I421 WeakPolarHBondContact O-CB 3.45Å; M418-I421 PolarHBondContact O-N 3.05Å; R419-I421 VanDerWaalsContact C-N 3.31Å; R419-I421 PolarHBondContact O-N 3.41Å; I421-G424 PolarHBondContact O-N 2.85Å; I421-L425 HydrophobicContact CG2-CD1 4.16Å; I421-L425 HydrophobicContact CG2-CG 4.46Å; I421-L425 WeakPolarHBondContact O-CG 3.19Å; I421-L425 PolarHBondContact O-N 3.48Å; I421-L468 HydrophobicContact CG2-CD1 4.29Å; I421-F483 HydrophobicContact CG2-CE1 4.15Å; I421-F483 HydrophobicContact CG2-CZ 3.55Å; I421-F487 HydrophobicContact CD1-CB 4.01Å; I421-L488 HydrophobicContact CD1-CD2 3.67Å; I421-L488 HydrophobicContact CD1-CG 4.41Å; I421-L608 HydrophobicContact CG2-CD1 3.99Å
422L98Very high96Very high1 Ų123.5 Ų23.51%0.00512%0.122CC..Hα-helixtrans-58.7-48.8178.3-72.3172.2000111.9L386 M418 R419 G424 L425 I426 H607 L608 L611L386-L422 HydrophobicContact CD1-CD1 4.14Å; M418-L422 WeakPolarHBondContact O-CG 3.49Å; M418-L422 PolarHBondContact O-N 3.19Å; R419-L422 WeakPolarHBondContact O-CB 3.38Å; R419-L422 PolarHBondContact O-N 3.48Å; L422-G424 VanDerWaalsContact C-N 3.3Å; L422-G424 PolarHBondContact O-N 3.16Å; L422-L425 WeakPolarHBondContact O-CB 3.38Å; L422-L425 PolarHBondContact O-N 3.19Å; L422-I426 WeakPolarHBondContact O-CG1 3.41Å; L422-I426 PolarHBondContact O-N 3.05Å; L422-H607 VanDerWaalsContact CD2-CD2 3.4Å; L422-H607 WeakPolarHBondContact CD2-CD2 3.34Å; L422-L608 HydrophobicContact CD2-CB 3.95Å; L422-L608 HydrophobicContact CD2-CD1 3.61Å; L422-L608 HydrophobicContact CD2-CG 4.4Å; L422-L608 HydrophobicContact CG-CD1 4.28Å; L422-L611 HydrophobicContact CD2-CD2 4.08Å
423N97.6Very high96.1Very high3 Ų323.3 Ų23.32%0.01612%0.121CC..Hα-helixtrans-62.8-39.9178.1-65.7-16.8000111.4C389 M390 R419 I426 L427 I447 V465C389-N423 PolarHBondContact SG-OD1 3.33Å; M390-N423 WeakPolarHBondContact CE-O 3.38Å; M390-N423 HydrophobicContact SD-CB 3.81Å; R419-N423 WeakPolarHBondContact O-CB 3.39Å; R419-N423 VanDerWaalsContact O-CG 3.23Å; R419-N423 PolarHBondContact O-N 3.39Å; R419-N423 PolarHBondContact O-ND2 2.85Å; N423-I426 PolarHBondContact O-N 3.37Å; N423-L427 WeakPolarHBondContact O-CB 3.47Å; N423-L427 PolarHBondContact O-N 2.88Å; N423-I447 WeakPolarHBondContact ND2-CD1 3.41Å; N423-V465 HydrophobicContact CB-CG1 3.85Å; N423-V465 HydrophobicContact CB-CG2 4.21Å
424G97.9Very high96.3Very high0 Ų023.4 Ų23.40%014%0.138CC..Hα-helixtrans-63.1-39.817500000113.3S420 I421 L422 L427 G428 K466 L468S420-G424 PolarHBondContact O-N 2.85Å; I421-G424 PolarHBondContact O-N 2.85Å; L422-G424 VanDerWaalsContact C-N 3.3Å; L422-G424 PolarHBondContact O-N 3.16Å; G424-L427 PolarHBondContact O-N 3.47Å; G424-G428 PolarHBondContact O-N 3.24Å; G424-K466 WeakPolarHBondContact CA-O 3.3Å; G424-L468 PolarHBondContact O-N 3.46Å; G424-L468 VanDerWaalsContact O-O 3.12Å
425L98.2Very high96.4Very high1 Ų123.8 Ų23.81%0.00514%0.14CC..Hα-helixtrans-64.8-43.9175.3-77.3173.5000111.9I421 L422 G428 L429 L468 P470 F483 L608 L611 I612 L615I421-L425 HydrophobicContact CG2-CD1 4.16Å; I421-L425 HydrophobicContact CG2-CG 4.46Å; I421-L425 WeakPolarHBondContact O-CG 3.19Å; I421-L425 PolarHBondContact O-N 3.48Å; L422-L425 WeakPolarHBondContact O-CB 3.38Å; L422-L425 PolarHBondContact O-N 3.19Å; L425-G428 PolarHBondContact O-N 3.35Å; L425-L429 WeakPolarHBondContact O-CB 3.49Å; L425-L429 PolarHBondContact O-N 3.08Å; L425-L468 HydrophobicContact CD2-CD2 3.47Å; L425-L468 VanDerWaalsContact CD2-CD2 3.47Å; L425-L468 HydrophobicContact CG-CD2 3.93Å; L425-P470 HydrophobicContact CD2-CG 4.1Å; L425-F483 HydrophobicContact CD1-CE2 4.25Å; L425-F483 HydrophobicContact CD1-CZ 3.89Å; L425-F483 HydrophobicContact CD2-CE2 3.88Å; L425-F483 HydrophobicContact CD2-CZ 4.34Å; L425-F483 HydrophobicContact CG-CE2 4.41Å; L425-F483 HydrophobicContact CG-CZ 4.39Å; L425-L608 HydrophobicContact CD1-CD1 3.72Å; L425-L611 HydrophobicContact CB-CD2 3.91Å; L425-L611 HydrophobicContact CD1-CD2 3.91Å; L425-L611 HydrophobicContact CD1-CG 4.48Å; L425-I612 HydrophobicContact CD1-CG1 4.05Å; L425-L615 HydrophobicContact CB-CD1 4.12Å; L425-L615 HydrophobicContact CD2-CD1 3.89Å; L425-L615 HydrophobicContact CG-CD1 4.43Å
426I97.8Very high96.3Very high3 Ų326.9 Ų26.92%0.01516%0.156CC..Hα-helixtrans-61-48.9175.7-69.7168000110M387 M390 Y391 L422 N423 G428 L429 E430 L439M387-I426 HydrophobicContact CB-CD1 4.3Å; M387-I426 HydrophobicContact CE-CD1 3.91Å; M387-I426 HydrophobicContact CE-CG1 4.27Å; M387-I426 HydrophobicContact CG-CD1 4.05Å; M390-I426 HydrophobicContact CB-CG2 4.08Å; M390-I426 HydrophobicContact CE-CB 4.27Å; M390-I426 HydrophobicContact CE-CG2 3.96Å; M390-I426 HydrophobicContact CG-CB 4.37Å; M390-I426 HydrophobicContact CG-CD1 4.07Å; M390-I426 HydrophobicContact CG-CG2 3.99Å; Y391-I426 HydrophobicContact CE2-CG2 3.83Å; Y391-I426 VanDerWaalsContact OH-CG2 3.26Å; Y391-I426 WeakPolarHBondContact OH-CG2 3.28Å; L422-I426 WeakPolarHBondContact O-CG1 3.41Å; L422-I426 PolarHBondContact O-N 3.05Å; N423-I426 PolarHBondContact O-N 3.37Å; I426-G428 VanDerWaalsContact C-N 3.28Å; I426-G428 PolarHBondContact O-N 3Å; I426-L429 WeakPolarHBondContact O-CB 3.36Å; I426-L429 PolarHBondContact O-N 2.98Å; I426-L429 VanDerWaalsContact O-N 3.16Å; I426-E430 HydrophobicContact CG2-CG 4.44Å; I426-E430 WeakPolarHBondContact O-CG 3.4Å; I426-E430 PolarHBondContact O-N 2.81Å; I426-L439 HydrophobicContact CG2-CD2 4.01Å
427L97.8Very high96.3Very high24 Ų2428.3 Ų28.313%0.12618%0.178CC..Hα-helixtrans-59.1-40.4175.7178.959.9000111.8M390 N423 G424 N431 L439 M442 V465 L467M390-L427 HydrophobicContact CE-CB 4.11Å; N423-L427 WeakPolarHBondContact O-CB 3.47Å; N423-L427 PolarHBondContact O-N 2.88Å; G424-L427 PolarHBondContact O-N 3.47Å; L427-N431 WeakPolarHBondContact O-CB 3.34Å; L427-N431 PolarHBondContact O-N 3.23Å; L427-L439 HydrophobicContact CD1-CD1 3.61Å; L427-M442 HydrophobicContact CD1-CE 4.29Å; L427-M442 HydrophobicContact CD1-SD 4.04Å; L427-M442 HydrophobicContact CD2-CE 4.12Å; L427-V465 HydrophobicContact CB-CG1 4.22Å; L427-V465 HydrophobicContact CD2-CB 4.44Å; L427-V465 HydrophobicContact CD2-CG1 3.86Å; L427-L467 HydrophobicContact CD2-CB 4.04Å; L427-L467 HydrophobicContact CG-CB 4.25Å
428G96.7Very high96.2Very high0 Ų023.2 Ų23.20%016%0.156CC..Hα-helixtrans-62.6-41.5175.300000113.3G424 L425 I426 H432 L468 K469 Y619G424-G428 PolarHBondContact O-N 3.24Å; L425-G428 PolarHBondContact O-N 3.35Å; I426-G428 VanDerWaalsContact C-N 3.28Å; I426-G428 PolarHBondContact O-N 3Å; G428-H432 WeakPolarHBondContact O-CB 3.49Å; G428-H432 PolarHBondContact O-N 2.92Å; G428-H432 VanDerWaalsContact O-N 3.07Å; G428-L468 WeakPolarHBondContact CA-O 3.48Å; G428-K469 WeakPolarHBondContact O-CE 3.07Å; G428-Y619 PolarHBondContact O-OH 2.82Å
429L96.4Very high96.1Very high3 Ų323.4 Ų23.42%0.01616%0.157CC..Hα-helixtrans-62.3-56.1175.9175.163.9000110.7L373 L425 I426 N431 H432 L433 L615 F618 Y619L373-L429 HydrophobicContact CD2-CD2 3.4Å; L373-L429 VanDerWaalsContact CD2-CD2 3.4Å; L425-L429 WeakPolarHBondContact O-CB 3.49Å; L425-L429 PolarHBondContact O-N 3.08Å; I426-L429 WeakPolarHBondContact O-CB 3.36Å; I426-L429 PolarHBondContact O-N 2.98Å; I426-L429 VanDerWaalsContact O-N 3.16Å; L429-N431 VanDerWaalsContact C-N 3.29Å; L429-N431 PolarHBondContact O-N 3.07Å; L429-H432 WeakPolarHBondContact O-CB 3.34Å; L429-H432 PolarHBondContact O-N 2.78Å; L429-H432 VanDerWaalsContact O-N 3.08Å; L429-L433 HydrophobicContact CD1-CD1 3.73Å; L429-L433 HydrophobicContact CD1-CG 4.16Å; L429-L433 HydrophobicContact CG-CD1 3.96Å; L429-L433 WeakPolarHBondContact O-CG 3.49Å; L429-L433 PolarHBondContact O-N 2.9Å; L429-L615 HydrophobicContact CB-CD2 4.41Å; L429-L615 HydrophobicContact CD1-CD2 3.89Å; L429-L615 HydrophobicContact CD2-CD2 4.32Å; L429-L615 HydrophobicContact CG-CD2 4.43Å; L429-F618 HydrophobicContact CD1-CD1 4.24Å; L429-F618 HydrophobicContact CD1-CE1 3.74Å; L429-F618 HydrophobicContact CD1-CZ 4.42Å; L429-Y619 VanDerWaalsContact CA-OH 3.22Å; L429-Y619 WeakPolarHBondContact CA-OH 3.37Å; L429-Y619 PolarHBondContact N-OH 3.33Å; L429-Y619 VanDerWaalsContact N-OH 3.17Å
430E96.3Very high96.1Very high0 Ų023.1 Ų23.10%016%0.158CC..Hα-helixtrans-64.1-36.2-176.6-61.7-57.7171.700112.3W369 Y391 I426 H432 L433 G434 T435 K438 L439W369-E430 PolarHBondContact NE1-OE1 2.96Å; Y391-E430 PolarHBondContact OH-OE1 3.25Å; I426-E430 HydrophobicContact CG2-CG 4.44Å; I426-E430 WeakPolarHBondContact O-CG 3.4Å; I426-E430 PolarHBondContact O-N 2.81Å; E430-H432 VanDerWaalsContact C-N 3.34Å; E430-H432 PolarHBondContact O-N 3.19Å; E430-L433 CarbonylContact O-C 3.56Å; E430-L433 PolarHBondContact O-N 3.41Å; E430-G434 PolarHBondContact O-N 3.4Å; E430-T435 PolarHBondContact O-N 3.34Å; E430-T435 PolarHBondContact O-OG1 3.03Å; E430-T435 WeakPolarHBondContact OE2-CB 3.12Å; E430-T435 PolarHBondContact OE2-OG1 3.44Å; E430-K438 WeakPolarHBondContact OE1-CE 3.3Å; E430-K438 IonicContact OE1-NZ 2.93Å; E430-K438 PolarHBondContact OE1-NZ 3.13Å; E430-K438 WeakPolarHBondContact OE2-CE 3.38Å; E430-K438 IonicContact OE2-NZ 3.54Å; E430-K438 PolarHBondContact OE2-NZ 3.18Å; E430-L439 HydrophobicContact CB-CD1 3.97Å; E430-L439 HydrophobicContact CB-CD2 4.46Å; E430-L439 HydrophobicContact CB-CG 4.22Å; E430-L439 HydrophobicContact CG-CD1 4.19Å; E430-L439 HydrophobicContact CG-CD2 3.78Å; E430-L439 HydrophobicContact CG-CG 4.03Å
431N95.8Very high96.1Very high74 Ų7421 Ų2140%0.39614%0.144SC..Hα-helixtrans-67.7-35.7175.4-172.164000112.2L427 L429 G434 N436 L467L427-N431 WeakPolarHBondContact O-CB 3.34Å; L427-N431 PolarHBondContact O-N 3.23Å; L429-N431 VanDerWaalsContact C-N 3.29Å; L429-N431 PolarHBondContact O-N 3.07Å; N431-G434 PolarHBondContact O-N 3.06Å; N431-N436 VanDerWaalsContact CA-OD1 3.28Å; N431-N436 WeakPolarHBondContact CA-OD1 3.43Å; N431-N436 PolarHBondContact N-OD1 3.08Å; N431-N436 VanDerWaalsContact N-OD1 3.12Å; N431-N436 PolarHBondContact OD1-ND2 3.19Å; N431-L467 HydrophobicContact CB-CD1 3.82Å; N431-L467 WeakPolarHBondContact ND2-CD1 3.4Å
432H94.8Very high96Very high70 Ų7022 Ų2232%0.32415%0.149SC..Hα-helixtrans-68.9-37.4174.6-177.482.9000112G428 L429 E430 G434 F618 Y619G428-H432 WeakPolarHBondContact O-CB 3.49Å; G428-H432 PolarHBondContact O-N 2.92Å; G428-H432 VanDerWaalsContact O-N 3.07Å; L429-H432 WeakPolarHBondContact O-CB 3.34Å; L429-H432 PolarHBondContact O-N 2.78Å; L429-H432 VanDerWaalsContact O-N 3.08Å; E430-H432 VanDerWaalsContact C-N 3.34Å; E430-H432 PolarHBondContact O-N 3.19Å; H432-G434 VanDerWaalsContact C-N 3.29Å; H432-F618 AromaticContact CD2-CE1 3.68Å; H432-F618 AromaticContact CD2-CZ 3.75Å; H432-Y619 HydrophobicContact CB-CE1 3.86Å; H432-Y619 AromaticContact CD2-CE1 3.99Å; H432-Y619 AromaticContact CG-CE1 3.65Å; H432-Y619 AromaticContact ND1-CE1 3.87Å
433L94Very high95.7Very high5 Ų527.7 Ų27.73%0.02618%0.175CC..Hα-helixtrans-78.3-11.2176.6-66.6175.1000112.8R368 L429 E430 T435 F618R368-L433 HydrophobicContact CB-CD1 4.47Å; R368-L433 HydrophobicContact CB-CD2 4.49Å; R368-L433 PolarHBondContact NH1-O 3.06Å; R368-L433 PolarHBondContact NH2-O 3.28Å; R368-L433 VanDerWaalsContact NH2-O 3.15Å; R368-L433 WeakPolarHBondContact O-CD1 3.23Å; R368-L433 WeakPolarHBondContact O-CD2 3.42Å; L429-L433 HydrophobicContact CD1-CD1 3.73Å; L429-L433 HydrophobicContact CD1-CG 4.16Å; L429-L433 HydrophobicContact CG-CD1 3.96Å; L429-L433 WeakPolarHBondContact O-CG 3.49Å; L429-L433 PolarHBondContact O-N 2.9Å; E430-L433 CarbonylContact O-C 3.56Å; E430-L433 PolarHBondContact O-N 3.41Å; L433-T435 VanDerWaalsContact C-N 3.29Å; L433-T435 HydrophobicContact CB-CG2 4.34Å; L433-T435 VanDerWaalsContact CB-OG1 3.25Å; L433-T435 WeakPolarHBondContact CB-OG1 3.3Å; L433-F618 HydrophobicContact CD2-CZ 3.86Å
434G94.8Very high95.4Very high60 Ų6035 Ų3562%0.61922%0.215SC*.THydrogen-bonded Turntrans68.429.8-176.100000112.9E430 N431 H432E430-G434 PolarHBondContact O-N 3.4Å; N431-G434 PolarHBondContact O-N 3.06Å; H432-G434 VanDerWaalsContact C-N 3.29Å
435T95.4Very high95.2Very high12 Ų1241.9 Ų41.97%0.07425%0.247CC..  trans-119.527.2-17343.40000112.3R368 E430 L433 G437 K438R368-T435 HydrophobicContact CB-CG2 4.21Å; R368-T435 HydrophobicContact CG-CG2 4.26Å; E430-T435 PolarHBondContact O-N 3.34Å; E430-T435 PolarHBondContact O-OG1 3.03Å; E430-T435 WeakPolarHBondContact OE2-CB 3.12Å; E430-T435 PolarHBondContact OE2-OG1 3.44Å; L433-T435 VanDerWaalsContact C-N 3.29Å; L433-T435 HydrophobicContact CB-CG2 4.34Å; L433-T435 VanDerWaalsContact CB-OG1 3.25Å; L433-T435 WeakPolarHBondContact CB-OG1 3.3Å; T435-G437 PolarHBondContact O-N 3.41Å; T435-K438 WeakPolarHBondContact O-CB 3.45Å; T435-K438 WeakPolarHBondContact O-CG 3.44Å; T435-K438 PolarHBondContact O-N 3.48Å
436N94.6Very high95.1Very high65 Ų6543.4 Ų43.435%0.34826%0.257SS..G310 helixtrans-55-22.5176.4-67.3-37.3000113.5N431 K438 L439N431-N436 VanDerWaalsContact CA-OD1 3.28Å; N431-N436 WeakPolarHBondContact CA-OD1 3.43Å; N431-N436 PolarHBondContact N-OD1 3.08Å; N431-N436 VanDerWaalsContact N-OD1 3.12Å; N431-N436 PolarHBondContact OD1-ND2 3.19Å; N436-K438 PolarHBondContact O-N 3.15Å; N436-K438 VanDerWaalsContact O-N 3.17Å; N436-L439 WeakPolarHBondContact O-CB 3.3Å; N436-L439 PolarHBondContact O-N 3.11Å
437G92.7Very high95.1Very high75 Ų7543.3 Ų43.377%0.77326%0.256SS*.G310 helixtrans-58.3-24.4175.500000114.2T435 L439T435-G437 PolarHBondContact O-N 3.41Å; G437-L439 VanDerWaalsContact C-N 3.28Å; G437-L439 PolarHBondContact O-N 2.85Å
438K93.8Very high95Very high4 Ų442.6 Ų42.62%0.01725%0.253CS..G310 helixtrans-72-20.6175.6-59.6-172.7-55.4-174.50113.7K362 S364 I365 H367 Y391 E430 T435 N436 C440K362-K438 WeakPolarHBondContact O-CG 3.1Å; S364-K438 WeakPolarHBondContact O-CD 3.36Å; I365-K438 PolarHBondContact O-NZ 3.09Å; H367-K438 HydrophobicContact CB-CD 4.12Å; H367-K438 PolarHBondContact O-NZ 3.23Å; Y391-K438 HydrophobicContact CD1-CB 4.3Å; Y391-K438 HydrophobicContact CE1-CB 4.11Å; E430-K438 WeakPolarHBondContact OE1-CE 3.3Å; E430-K438 IonicContact OE1-NZ 2.93Å; E430-K438 PolarHBondContact OE1-NZ 3.13Å; E430-K438 WeakPolarHBondContact OE2-CE 3.38Å; E430-K438 IonicContact OE2-NZ 3.54Å; E430-K438 PolarHBondContact OE2-NZ 3.18Å; T435-K438 WeakPolarHBondContact O-CB 3.45Å; T435-K438 WeakPolarHBondContact O-CG 3.44Å; T435-K438 PolarHBondContact O-N 3.48Å; N436-K438 PolarHBondContact O-N 3.15Å; N436-K438 VanDerWaalsContact O-N 3.17Å; K438-C440 PolarHBondContact O-N 3.3Å
439L96Very high94.9Very high11 Ų1142.8 Ų42.86%0.05825%0.254CS..  trans-78.254-175.1-61.1-179.1000111.6M390 Y391 I426 L427 E430 N436 G437 G441 M442M390-L439 HydrophobicContact CB-CD2 4Å; M390-L439 HydrophobicContact CE-CD1 4.34Å; M390-L439 HydrophobicContact CE-CD2 4.07Å; M390-L439 CarbonylContact O-C 3.5Å; M390-L439 WeakPolarHBondContact O-CA 3.45Å; Y391-L439 HydrophobicContact CD1-CD2 4.37Å; Y391-L439 HydrophobicContact CE1-CD2 3.85Å; I426-L439 HydrophobicContact CG2-CD2 4.01Å; L427-L439 HydrophobicContact CD1-CD1 3.61Å; E430-L439 HydrophobicContact CB-CD1 3.97Å; E430-L439 HydrophobicContact CB-CD2 4.46Å; E430-L439 HydrophobicContact CB-CG 4.22Å; E430-L439 HydrophobicContact CG-CD1 4.19Å; E430-L439 HydrophobicContact CG-CD2 3.78Å; E430-L439 HydrophobicContact CG-CG 4.03Å; N436-L439 WeakPolarHBondContact O-CB 3.3Å; N436-L439 PolarHBondContact O-N 3.11Å; G437-L439 VanDerWaalsContact C-N 3.28Å; G437-L439 PolarHBondContact O-N 2.85Å; L439-G441 PolarHBondContact O-N 3.35Å; L439-M442 HydrophobicContact CB-CB 4.39Å; L439-M442 HydrophobicContact CB-CG 4.31Å; L439-M442 HydrophobicContact CB-SD 4.28Å; L439-M442 HydrophobicContact CD1-SD 3.88Å; L439-M442 WeakPolarHBondContact O-CB 3.31Å; L439-M442 PolarHBondContact O-N 3.44Å
440C95.2Very high94.9Very high12 Ų1244.9 Ų44.98%0.08126%0.262CS..THydrogen-bonded Turntrans-68.2-12.7-173.363.90000114.5Q83 M390 Y391 R393 K438 M442Q83-C440 HydrophobicContact CG-CB 4.43Å; Q83-C440 WeakPolarHBondContact CG-SG 3.43Å; M390-C440 PolarHBondContact O-N 3.24Å; Y391-C440 PolarHBondContact O-SG 2.79Å; R393-C440 HydrophobicContact CG-CB 3.87Å; R393-C440 WeakPolarHBondContact CG-O 3.45Å; K438-C440 PolarHBondContact O-N 3.3Å; C440-M442 VanDerWaalsContact C-N 3.31Å
441G95.9Very high94.7Very high6 Ų648 Ų486%0.06227%0.274CS..THydrogen-bonded Turntrans-80.9-10.8170.600000114C389 M390 V392 L439C389-G441 CarbonylContact O-C 3.6Å; M390-G441 PolarHBondContact O-N 2.93Å; V392-G441 WeakPolarHBondContact O-CA 3.35Å; L439-G441 PolarHBondContact O-N 3.35Å
442M95.8Very high94.4Very high34 Ų3445.5 Ų45.517%0.16726%0.259CS..EExtended strand (participates in β ladder)trans-94.2133178.4-70-168.765.300112.5M390 L427 L439 C440 C446 I447 V465M390-M442 HydrophobicContact CE-CG 4.07Å; M390-M442 HydrophobicContact CE-SD 3.33Å; M390-M442 WeakPolarHBondContact CE-SD 3.44Å; M390-M442 HydrophobicContact SD-CG 4.21Å; M390-M442 HydrophobicContact SD-SD 4.15Å; L427-M442 HydrophobicContact CD1-CE 4.29Å; L427-M442 HydrophobicContact CD1-SD 4.04Å; L427-M442 HydrophobicContact CD2-CE 4.12Å; L439-M442 HydrophobicContact CB-CB 4.39Å; L439-M442 HydrophobicContact CB-CG 4.31Å; L439-M442 HydrophobicContact CB-SD 4.28Å; L439-M442 HydrophobicContact CD1-SD 3.88Å; L439-M442 WeakPolarHBondContact O-CB 3.31Å; L439-M442 PolarHBondContact O-N 3.44Å; C440-M442 VanDerWaalsContact C-N 3.31Å; M442-C446 WeakPolarHBondContact CA-O 3.24Å; M442-I447 HydrophobicContact CG-CG2 3.67Å; M442-V465 HydrophobicContact CE-CB 3.93Å; M442-V465 HydrophobicContact CE-CG1 4.44Å; M442-V465 HydrophobicContact CE-CG2 4.3Å
443E93Very high93.8Very high120 Ų12043.3 Ų43.356%0.56125%0.251SS*.EExtended strand (participates in β ladder)trans-134.6124.6171.3-68.1179.618000109E445 C446E443-E445 PolarHBondContact O-N 3.43Å; E443-C446 PolarHBondContact N-O 3.02Å; E443-C446 WeakPolarHBondContact O-CB 3.48Å; E443-C446 PolarHBondContact O-N 3.05Å
444N91.3Very high93.4Very high157 Ų15747.5 Ų47.584%0.8427%0.273SS*.THydrogen-bonded Turntrans49.651.6179.4-58-40.6000113.3C446N444-C446 PolarHBondContact O-N 2.92Å; N444-C446 PolarHBondContact O-SG 3.3Å
445E93Very high92.8Very high144 Ų14449.4 Ų49.467%0.67327%0.269SS*.THydrogen-bonded Turntrans59.414.8-178-52.4-174.314900114.7E443 S464 V465E443-E445 PolarHBondContact O-N 3.43Å; E445-S464 WeakPolarHBondContact O-CA 3.37Å; E445-V465 PolarHBondContact O-N 3.16Å
446C97Very high92.2Very high32 Ų3249.2 Ų49.222%0.21627%0.27CS..EExtended strand (participates in β ladder)trans-118.8150.1177.9-62.40000111.2M442 E443 N444 L462 I463M442-C446 WeakPolarHBondContact CA-O 3.24Å; E443-C446 PolarHBondContact N-O 3.02Å; E443-C446 WeakPolarHBondContact O-CB 3.48Å; E443-C446 PolarHBondContact O-N 3.05Å; N444-C446 PolarHBondContact O-N 2.92Å; N444-C446 PolarHBondContact O-SG 3.3Å; C446-L462 HydrophobicContact CB-CB 4.48Å; C446-I463 CarbonylContact C-O 3.53Å; C446-I463 WeakPolarHBondContact CA-O 3.5Å
447I96.8Very high91.8Very high1 Ų152 Ų521%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-109.3157.7165.557.6167.2000109.8C389 M390 N423 M442 L462 I463 V465C389-I447 HydrophobicContact CB-CB 4.29Å; C389-I447 HydrophobicContact CB-CD1 3.67Å; C389-I447 HydrophobicContact CB-CG2 4.48Å; C389-I447 WeakPolarHBondContact O-CG2 3.14Å; M390-I447 HydrophobicContact SD-CG2 3.84Å; N423-I447 WeakPolarHBondContact ND2-CD1 3.41Å; M442-I447 HydrophobicContact CG-CG2 3.67Å; I447-L462 WeakPolarHBondContact O-CA 3.43Å; I447-I463 HydrophobicContact CD1-CB 4.47Å; I447-I463 HydrophobicContact CG1-CB 3.92Å; I447-I463 PolarHBondContact N-O 2.9Å; I447-I463 PolarHBondContact O-N 3.5Å; I447-V465 HydrophobicContact CB-CG2 4.41Å; I447-V465 HydrophobicContact CD1-CG2 4.32Å; I447-V465 HydrophobicContact CG1-CG2 3.95Å; I447-V465 HydrophobicContact CG2-CG2 3.78Å
448T96.1Very high91.8Very high10 Ų1050.6 Ų50.66%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-101.2126.4175.6-67.90000111.1G395 V396 Y450 K460 L462G395-T448 CarbonylContact C-O 3.55Å; G395-T448 WeakPolarHBondContact CA-O 3.48Å; V396-T448 PolarHBondContact N-O 2.84Å; T448-Y450 HydrophobicContact CG2-CD2 4.31Å; T448-Y450 HydrophobicContact CG2-CE2 3.84Å; T448-K460 HydrophobicContact CG2-CD 3.91Å; T448-K460 VanDerWaalsContact CG2-CE 3.46Å; T448-K460 HydrophobicContact CG2-CG 3.63Å; T448-K460 WeakPolarHBondContact OG1-CE 3.35Å; T448-L462 WeakPolarHBondContact OG1-CD2 3.41Å
449E95.2Very high91.7Very high4 Ų453.7 Ų53.72%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-120.7135.7167.8-70.7-172.5175.100110.9V396 R419 R451 T461 I463V396-E449 HydrophobicContact CG2-CG 3.96Å; V396-E449 CarbonylContact O-C 3.59Å; V396-E449 WeakPolarHBondContact O-CA 3.28Å; R419-E449 WeakPolarHBondContact CD-OE1 3.42Å; R419-E449 IonicContact NE-OE1 2.91Å; E449-R451 IonicContact OE2-CZ 3.67Å; E449-R451 IonicContact OE2-NE 3.81Å; E449-R451 PolarHBondContact OE2-NE 2.96Å; E449-R451 IonicContact OE2-NH2 2.93Å; E449-R451 PolarHBondContact OE2-NH2 3.33Å; E449-T461 PolarHBondContact N-O 3.36Å; E449-T461 WeakPolarHBondContact O-CB 2.97Å; E449-T461 PolarHBondContact O-N 2.95Å; E449-I463 HydrophobicContact CB-CD1 4.05Å; E449-I463 HydrophobicContact CG-CD1 3.63Å; E449-I463 WeakPolarHBondContact OE2-CD1 3.5Å
450Y95Very high91.6Very high46 Ų4658.8 Ų58.818%0.1830%0.296CS..EExtended strand (participates in β ladder)trans-92.3124.6169-67-97.2000109.4L88 L92 N394 V396 T448 T459 K460L88-Y450 HydrophobicContact CD1-CD2 4.05Å; L88-Y450 HydrophobicContact CD1-CE2 3.98Å; L88-Y450 HydrophobicContact CD2-CE2 3.68Å; L88-Y450 HydrophobicContact CG-CE2 4.37Å; L92-Y450 HydrophobicContact CD1-CE1 4.38Å; L92-Y450 HydrophobicContact CD2-CD1 3.85Å; L92-Y450 HydrophobicContact CD2-CD2 4.23Å; L92-Y450 HydrophobicContact CD2-CE1 4.47Å; L92-Y450 HydrophobicContact CD2-CG 3.71Å; N394-Y450 WeakPolarHBondContact O-CE2 3.47Å; V396-Y450 PolarHBondContact O-N 3.24Å; T448-Y450 HydrophobicContact CG2-CD2 4.31Å; T448-Y450 HydrophobicContact CG2-CE2 3.84Å; Y450-T459 WeakPolarHBondContact CA-O 3.42Å; Y450-K460 HydrophobicContact CD1-CB 4.44Å; Y450-K460 HydrophobicContact CE1-CB 4.19Å; Y450-K460 HydrophobicContact CE1-CG 4.5Å
451R91.6Very high91.5Very high67 Ų6760.1 Ų60.125%0.25330%0.304SS..EExtended strand (participates in β ladder)trans-119.1142.9-177-62.6-175.8178.9-159.1-7.2110.4E413 E449 L458 T459 I463E413-R451 IonicContact OE2-CZ 2.7Å; E413-R451 IonicContact OE2-NH1 3.35Å; E413-R451 PolarHBondContact OE2-NH1 2.96Å; E413-R451 IonicContact OE2-NH2 2.62Å; E449-R451 IonicContact OE2-CZ 3.67Å; E449-R451 IonicContact OE2-NE 3.81Å; E449-R451 PolarHBondContact OE2-NE 2.96Å; E449-R451 IonicContact OE2-NH2 2.93Å; E449-R451 PolarHBondContact OE2-NH2 3.33Å; R451-L458 CarbonylContact O-C 3.56Å; R451-L458 WeakPolarHBondContact O-CA 3.32Å; R451-T459 PolarHBondContact N-O 3.47Å; R451-T459 PolarHBondContact O-N 3.18Å; R451-T459 PolarHBondContact O-OG1 2.88Å; R451-I463 VanDerWaalsContact NH2-CD1 3.28Å
452R89.5Confident91.5Very high20 Ų2065.4 Ų65.48%0.07533%0.33CS..EExtended strand (participates in β ladder)trans-77.8135.2177.5-177.3-165.555.768.8-3.7110.4F99 E403 I407 H457 L458F99-R452 HydrophobicContact CD2-CG 4.3Å; F99-R452 HydrophobicContact CE2-CG 4.45Å; E403-R452 IonicContact OE1-CZ 3.59Å; E403-R452 IonicContact OE1-NE 4Å; E403-R452 PolarHBondContact OE1-NE 3.28Å; E403-R452 IonicContact OE1-NH2 3.2Å; I407-R452 PolarHBondContact O-NH2 3.48Å; R452-H457 CarbonylContact C-O 3.54Å; R452-H457 WeakPolarHBondContact CA-O 3.4Å; R452-L458 HydrophobicContact CB-CD2 4.21Å
453S83.7Confident91.4Very high24 Ų2465.5 Ų65.517%0.16833%0.331CS..  trans-90.9171.1166.455.60000112.3N455 G456 H457S453-N455 PolarHBondContact O-N 2.88Å; S453-N455 VanDerWaalsContact O-N 3.14Å; S453-N455 PolarHBondContact OG-OD1 3.49Å; S453-G456 PolarHBondContact O-N 2.99Å; S453-H457 PolarHBondContact N-O 3.02Å; S453-H457 WeakPolarHBondContact OG-CB 3.33Å; S453-H457 PolarHBondContact OG-N 3.25Å; S453-H457 PolarHBondContact OG-O 3.31Å
454L84.6Confident91.6Very high93 Ų9363 Ų6349%0.48733%0.326SS..THydrogen-bonded Turntrans-54.1-33179.6-81.2154.3000114.4N406 L408 G456N406-L454 WeakPolarHBondContact O-CD2 3.43Å; L408-L454 HydrophobicContact CB-CD1 4.4Å; L408-L454 HydrophobicContact CD1-CD1 3.8Å; L408-L454 HydrophobicContact CD1-CG 4.14Å; L454-G456 VanDerWaalsContact C-N 3.34Å
455N83.2Confident91.9Very high101 Ų10155.8 Ų55.854%0.5429%0.288SS..THydrogen-bonded Turntrans-90.27178.658.21.5000113.9S453 H457S453-N455 PolarHBondContact O-N 2.88Å; S453-N455 VanDerWaalsContact O-N 3.14Å; S453-N455 PolarHBondContact OG-OD1 3.49Å; N455-H457 VanDerWaalsContact C-N 3.29Å; N455-H457 VanDerWaalsContact CG-CD2 3.41Å; N455-H457 PolarHBondContact ND2-CD2 2.97Å; N455-H457 PolarHBondContact O-N 3.22Å; N455-H457 PolarHBondContact OD1-CD2 3.26Å; N455-H457 PolarHBondContact OD1-N 2.7Å
456G81.8Confident92.1Very high8 Ų856.5 Ų56.58%0.08229%0.289CS..SBendtrans84.2-5179.200000115F99 S453 L454F99-G456 VanDerWaalsContact CE1-CA 3.41Å; F99-G456 VanDerWaalsContact CZ-N 3.33Å; S453-G456 PolarHBondContact O-N 2.99Å; L454-G456 VanDerWaalsContact C-N 3.34Å
457H87.4Confident92.1Very high122 Ų12259.1 Ų59.157%0.56530%0.3SS*.  trans-65.2154.2171.4-65.4-46.5000111.1R452 S453 N455R452-H457 CarbonylContact C-O 3.54Å; R452-H457 WeakPolarHBondContact CA-O 3.4Å; S453-H457 PolarHBondContact N-O 3.02Å; S453-H457 WeakPolarHBondContact OG-CB 3.33Å; S453-H457 PolarHBondContact OG-N 3.25Å; S453-H457 PolarHBondContact OG-O 3.31Å; N455-H457 VanDerWaalsContact C-N 3.29Å; N455-H457 VanDerWaalsContact CG-CD2 3.41Å; N455-H457 PolarHBondContact ND2-CD2 2.97Å; N455-H457 PolarHBondContact O-N 3.22Å; N455-H457 PolarHBondContact OD1-CD2 3.26Å; N455-H457 PolarHBondContact OD1-N 2.7Å
458L91.5Very high92.1Very high46 Ų4660.1 Ų60.124%0.24131%0.306CS..EExtended strand (participates in β ladder)trans-105.7121.7-178.9-59.5174.2000108.7L92 M96 I397 R451 R452L92-L458 HydrophobicContact CB-CD1 3.94Å; L92-L458 HydrophobicContact CD2-CD1 3.55Å; L92-L458 HydrophobicContact CG-CD1 4.32Å; M96-L458 HydrophobicContact CG-CD1 4.06Å; I397-L458 HydrophobicContact CD1-CD1 3.68Å; I397-L458 HydrophobicContact CD1-CD2 3.65Å; I397-L458 HydrophobicContact CD1-CG 4.28Å; R451-L458 CarbonylContact O-C 3.56Å; R451-L458 WeakPolarHBondContact O-CA 3.32Å; R452-L458 HydrophobicContact CB-CD2 4.21Å
459T91.3Very high92Very high69 Ų6962.9 Ų62.942%0.42332%0.317SS..EExtended strand (participates in β ladder)trans-103.6132177.856.60000110.2Y450 R451Y450-T459 WeakPolarHBondContact CA-O 3.42Å; R451-T459 PolarHBondContact N-O 3.47Å; R451-T459 PolarHBondContact O-N 3.18Å; R451-T459 PolarHBondContact O-OG1 2.88Å
460K94Very high92Very high119 Ų11963 Ų6352%0.51732%0.318SS..EExtended strand (participates in β ladder)trans-76.3123.6173.8-176.1172.7168.7160.20109.3T448 Y450T448-K460 HydrophobicContact CG2-CD 3.91Å; T448-K460 VanDerWaalsContact CG2-CE 3.46Å; T448-K460 HydrophobicContact CG2-CG 3.63Å; T448-K460 WeakPolarHBondContact OG1-CE 3.35Å; Y450-K460 HydrophobicContact CD1-CB 4.44Å; Y450-K460 HydrophobicContact CE1-CB 4.19Å; Y450-K460 HydrophobicContact CE1-CG 4.5Å
461T93.4Very high91.8Very high40 Ų4068.1 Ų68.125%0.24534%0.337CS..EExtended strand (participates in β ladder)trans-120.1131.3179.6-54.10000109.5E449 I463E449-T461 PolarHBondContact N-O 3.36Å; E449-T461 WeakPolarHBondContact O-CB 2.97Å; E449-T461 PolarHBondContact O-N 2.95Å; T461-I463 HydrophobicContact CG2-CG1 4.27Å
462L95.6Very high91.7Very high117 Ų11773 Ų7361%0.61336%0.357SS*.EExtended strand (participates in β ladder)trans-94.8133.1172.8-67.3173.5000109.7C446 I447 T448C446-L462 HydrophobicContact CB-CB 4.48Å; I447-L462 WeakPolarHBondContact O-CA 3.43Å; T448-L462 WeakPolarHBondContact OG1-CD2 3.41Å
463I95.4Very high91.7Very high35 Ų3573 Ų7318%0.17936%0.36CS..EExtended strand (participates in β ladder)trans-125.4119.3-178.1-56.7173.3000108.6C446 I447 E449 R451 T461 V465C446-I463 CarbonylContact C-O 3.53Å; C446-I463 WeakPolarHBondContact CA-O 3.5Å; I447-I463 HydrophobicContact CD1-CB 4.47Å; I447-I463 HydrophobicContact CG1-CB 3.92Å; I447-I463 PolarHBondContact N-O 2.9Å; I447-I463 PolarHBondContact O-N 3.5Å; E449-I463 HydrophobicContact CB-CD1 4.05Å; E449-I463 HydrophobicContact CG-CD1 3.63Å; E449-I463 WeakPolarHBondContact OE2-CD1 3.5Å; R451-I463 VanDerWaalsContact NH2-CD1 3.28Å; T461-I463 HydrophobicContact CG2-CG1 4.27Å; I463-V465 PolarHBondContact O-N 3.35Å
464S96.9Very high92Very high67 Ų6781 Ų8147%0.46939%0.392SS..EExtended strand (participates in β ladder)trans-66.9131.6174.3175.30000110.5E445E445-S464 WeakPolarHBondContact O-CA 3.37Å
465V97.6Very high92.2Very high6 Ų678.8 Ų78.84%0.03638%0.383CS..  trans-104124.7175.8-176.30000108.6M390 N423 L427 M442 E445 I447 I463M390-V465 HydrophobicContact CE-CG1 4.37Å; M390-V465 HydrophobicContact SD-CG2 4.48Å; N423-V465 HydrophobicContact CB-CG1 3.85Å; N423-V465 HydrophobicContact CB-CG2 4.21Å; L427-V465 HydrophobicContact CB-CG1 4.22Å; L427-V465 HydrophobicContact CD2-CB 4.44Å; L427-V465 HydrophobicContact CD2-CG1 3.86Å; M442-V465 HydrophobicContact CE-CB 3.93Å; M442-V465 HydrophobicContact CE-CG1 4.44Å; M442-V465 HydrophobicContact CE-CG2 4.3Å; E445-V465 PolarHBondContact O-N 3.16Å; I447-V465 HydrophobicContact CB-CG2 4.41Å; I447-V465 HydrophobicContact CD1-CG2 4.32Å; I447-V465 HydrophobicContact CG1-CG2 3.95Å; I447-V465 HydrophobicContact CG2-CG2 3.78Å; I463-V465 PolarHBondContact O-N 3.35Å
466K96.3Very high92.6Very high159 Ų15975 Ų7569%0.69136%0.364SS*.  trans-101.2129.5175.8-65.2-175.9-179.2-179.40109.6G424 L468G424-K466 WeakPolarHBondContact CA-O 3.3Å; K466-L468 PolarHBondContact O-N 2.89Å
467L96.6Very high93Very high87 Ų8776.7 Ų76.746%0.45537%0.37SS..  trans-57.6131.5176.7-177.1151.4000110.7L427 N431 K469L427-L467 HydrophobicContact CD2-CB 4.04Å; L427-L467 HydrophobicContact CG-CB 4.25Å; N431-L467 HydrophobicContact CB-CD1 3.82Å; N431-L467 WeakPolarHBondContact ND2-CD1 3.4Å; L467-K469 HydrophobicContact CD2-CD 4.45Å; L467-K469 HydrophobicContact CD2-CG 4.23Å
468L97Very high93.3Very high22 Ų2275.5 Ų75.512%0.11536%0.363CS..  trans-137.5136.1-178.3-159.3155000110.3I421 G424 L425 G428 K466 F483 F487I421-L468 HydrophobicContact CG2-CD1 4.29Å; G424-L468 PolarHBondContact O-N 3.46Å; G424-L468 VanDerWaalsContact O-O 3.12Å; L425-L468 HydrophobicContact CD2-CD2 3.47Å; L425-L468 VanDerWaalsContact CD2-CD2 3.47Å; L425-L468 HydrophobicContact CG-CD2 3.93Å; G428-L468 WeakPolarHBondContact CA-O 3.48Å; K466-L468 PolarHBondContact O-N 2.89Å; L468-F483 HydrophobicContact CD2-CD2 4.49Å; L468-F483 HydrophobicContact CD2-CE2 3.51Å; L468-F483 HydrophobicContact CD2-CZ 4.14Å; L468-F487 HydrophobicContact CD1-CD1 3.64Å; L468-F487 HydrophobicContact CD1-CE1 3.55Å; L468-F487 HydrophobicContact CD1-CG 4.28Å; L468-F487 HydrophobicContact CD1-CZ 4.13Å; L468-F487 HydrophobicContact CD2-CD2 4.39Å; L468-F487 HydrophobicContact CD2-CE1 4.16Å; L468-F487 HydrophobicContact CD2-CE2 4.01Å; L468-F487 HydrophobicContact CD2-CZ 3.88Å; L468-F487 HydrophobicContact CG-CD1 4.36Å; L468-F487 HydrophobicContact CG-CE1 3.83Å; L468-F487 HydrophobicContact CG-CZ 3.93Å
469K95Very high93.4Very high68 Ų6873.3 Ų73.330%0.29635%0.351SS..  trans-135.3140.1172.9-62.4179.4177.8177.80109.2G428 L467 R471 Y619G428-K469 WeakPolarHBondContact O-CE 3.07Å; L467-K469 HydrophobicContact CD2-CD 4.45Å; L467-K469 HydrophobicContact CD2-CG 4.23Å; K469-R471 PolarHBondContact O-N 3.12Å; K469-Y619 HydrophobicContact CB-CE2 4.36Å; K469-Y619 HydrophobicContact CD-CE1 3.98Å; K469-Y619 HydrophobicContact CG-CE1 4.32Å; K469-Y619 HydrophobicContact CG-CE2 4.46Å
470P93.9Very high93.5Very high7 Ų770.2 Ų70.25%0.04533%0.332CS..PPolyproline II helixtrans-55.1135.8167.7-22.433.4000110.4L425 F483 L615 Y619L425-P470 HydrophobicContact CD2-CG 4.1Å; P470-F483 HydrophobicContact CB-CD2 4.33Å; P470-F483 HydrophobicContact CG-CD2 4.35Å; P470-L615 HydrophobicContact CG-CB 3.93Å; P470-Y619 HydrophobicContact CG-CD2 4.19Å; P470-Y619 HydrophobicContact CG-CE2 4.46Å
471R91.2Very high93.5Very high153 Ų15365.4 Ų65.458%0.57731%0.312SS*.PPolyproline II helixtrans-69.2141.1176.9-73.2-174.8174.1154.51.2110.3K469 A473 S479 E486K469-R471 PolarHBondContact O-N 3.12Å; R471-A473 PolarHBondContact O-N 3.08Å; R471-S479 VanDerWaalsContact O-CB 3.26Å; R471-S479 WeakPolarHBondContact O-CB 3.31Å; R471-S479 PolarHBondContact O-OG 3.19Å; R471-E486 WeakPolarHBondContact CD-OE2 3.28Å; R471-E486 IonicContact CZ-OE1 3.41Å; R471-E486 IonicContact CZ-OE2 3.19Å; R471-E486 IonicContact NE-OE1 3.85Å; R471-E486 IonicContact NE-OE2 2.69Å; R471-E486 PolarHBondContact NE-OE2 2.9Å; R471-E486 VanDerWaalsContact NH1-CD 3.27Å; R471-E486 IonicContact NH1-OE1 3.44Å; R471-E486 PolarHBondContact NH1-OE1 3.4Å; R471-E486 IonicContact NH1-OE2 2.94Å; R471-E486 PolarHBondContact NH1-OE2 3.19Å; R471-E486 IonicContact NH2-OE1 2.69Å; R471-E486 PolarHBondContact NH2-OE1 3.33Å; R471-E486 IonicContact NH2-OE2 2.7Å
472Y90.4Very high93.6Very high170 Ų17066.2 Ų66.267%0.66732%0.319SS*.PPolyproline II helixtrans-59.4135.6165.9178.1-92.8000109.9N620Y472-N620 HydrophobicContact CD2-CB 4.3Å; Y472-N620 WeakPolarHBondContact CD2-OD1 3.13Å; Y472-N620 HydrophobicContact CE2-CB 4.3Å
473A89.7Confident93.6Very high19 Ų1960.8 Ų60.816%0.15729%0.291CS..  trans-138.8176.1170.700000109.2R471 T475 F478 S479R471-A473 PolarHBondContact O-N 3.08Å; A473-T475 PolarHBondContact O-N 3.45Å; A473-T475 VanDerWaalsContact O-N 3.15Å; A473-F478 HydrophobicContact CB-CB 3.67Å; A473-S479 VanDerWaalsContact CB-OG 3.29Å; A473-S479 WeakPolarHBondContact CB-OG 3.48Å; A473-S479 PolarHBondContact N-OG 2.86Å; A473-S479 VanDerWaalsContact N-OG 3.08Å
474K89Confident93.6Very high193 Ų19359.1 Ų59.184%0.83928%0.282SS*.SBendtrans-56-33.8-177.9-68.2-176179.2-178.40113.4
475T89.4Confident93.6Very high46 Ų4658.1 Ų58.128%0.28228%0.275SS..SBendtrans-140.6159.6174.780.80000109.9A473 E477 F478 S479 N620A473-T475 PolarHBondContact O-N 3.45Å; A473-T475 VanDerWaalsContact O-N 3.15Å; T475-E477 WeakPolarHBondContact CB-OE2 3Å; T475-E477 PolarHBondContact O-N 3.07Å; T475-E477 PolarHBondContact OG1-N 3.34Å; T475-E477 PolarHBondContact OG1-OE2 2.9Å; T475-F478 HydrophobicContact CG2-CD2 4.16Å; T475-F478 PolarHBondContact O-N 3.24Å; T475-F478 VanDerWaalsContact O-N 3.11Å; T475-F478 WeakPolarHBondContact OG1-CD2 3.48Å; T475-F478 PolarHBondContact OG1-N 2.96Å; T475-S479 PolarHBondContact O-N 2.91Å; T475-S479 VanDerWaalsContact O-N 3.13Å; T475-N620 VanDerWaalsContact C-ND2 3.35Å
476P90.3Very high93.5Very high22 Ų2261.5 Ų61.514%0.14329%0.291CS..Hα-helixtrans-55-34175.1-25.936.1000113.4S479 F480 C616 P617P476-S479 WeakPolarHBondContact O-CB 3.26Å; P476-S479 PolarHBondContact O-N 3.44Å; P476-F480 PolarHBondContact O-N 2.91Å; P476-C616 HydrophobicContact CB-CB 4.28Å; P476-P617 HydrophobicContact CB-CB 4.1Å; P476-P617 HydrophobicContact CG-CB 3.92Å
477E91.7Very high93.5Very high44 Ų4456.1 Ų56.121%0.20627%0.267CS..Hα-helixtrans-65-41.4176.8-63.183.3178.600112.3T475 S479 F480 L481 H630 F635T475-E477 WeakPolarHBondContact CB-OE2 3Å; T475-E477 PolarHBondContact O-N 3.07Å; T475-E477 PolarHBondContact OG1-N 3.34Å; T475-E477 PolarHBondContact OG1-OE2 2.9Å; E477-S479 VanDerWaalsContact C-N 3.34Å; E477-F480 WeakPolarHBondContact O-CB 3.44Å; E477-F480 PolarHBondContact O-N 3.39Å; E477-L481 VanDerWaalsContact O-CG 3.27Å; E477-L481 WeakPolarHBondContact O-CG 3.45Å; E477-L481 PolarHBondContact O-N 2.87Å; E477-H630 IonicContact OE1-CE1 3.86Å; E477-H630 IonicContact OE1-CG 3.94Å; E477-H630 IonicContact OE1-ND1 3.03Å; E477-H630 PolarHBondContact OE1-ND1 3.23Å; E477-F635 HydrophobicContact CB-CE2 3.76Å; E477-F635 HydrophobicContact CB-CZ 3.87Å; E477-F635 HydrophobicContact CG-CE2 4.22Å; E477-F635 HydrophobicContact CG-CZ 4.31Å
478F92.4Very high93.4Very high96 Ų9652.2 Ų52.242%0.42125%0.247SC..Hα-helixtrans-67-38175-78.4-76.8000111.4A473 T475 F480 L481 S482A473-F478 HydrophobicContact CB-CB 3.67Å; T475-F478 HydrophobicContact CG2-CD2 4.16Å; T475-F478 PolarHBondContact O-N 3.24Å; T475-F478 VanDerWaalsContact O-N 3.11Å; T475-F478 WeakPolarHBondContact OG1-CD2 3.48Å; T475-F478 PolarHBondContact OG1-N 2.96Å; F478-F480 VanDerWaalsContact C-N 3.3Å; F478-F480 PolarHBondContact O-N 3.43Å; F478-L481 HydrophobicContact CD1-CD1 4.44Å; F478-L481 PolarHBondContact O-N 2.85Å; F478-S482 WeakPolarHBondContact O-CB 3.42Å; F478-S482 PolarHBondContact O-N 3.36Å; F478-S482 PolarHBondContact O-OG 3.01Å
479S93.6Very high93.4Very high0 Ų056 Ų560%027%0.267CS..Hα-helixtrans-60.1-42.8172.8-67.30000111.2R471 A473 T475 P476 E477 S482 F483 N620R471-S479 VanDerWaalsContact O-CB 3.26Å; R471-S479 WeakPolarHBondContact O-CB 3.31Å; R471-S479 PolarHBondContact O-OG 3.19Å; A473-S479 VanDerWaalsContact CB-OG 3.29Å; A473-S479 WeakPolarHBondContact CB-OG 3.48Å; A473-S479 PolarHBondContact N-OG 2.86Å; A473-S479 VanDerWaalsContact N-OG 3.08Å; T475-S479 PolarHBondContact O-N 2.91Å; T475-S479 VanDerWaalsContact O-N 3.13Å; P476-S479 WeakPolarHBondContact O-CB 3.26Å; P476-S479 PolarHBondContact O-N 3.44Å; E477-S479 VanDerWaalsContact C-N 3.34Å; S479-S482 PolarHBondContact O-N 2.83Å; S479-F483 WeakPolarHBondContact O-CB 3.42Å; S479-F483 PolarHBondContact O-N 2.91Å; S479-N620 PolarHBondContact OG-OD1 2.88Å
480F94.5Very high93.4Very high4 Ų452.8 Ų52.82%0.01825%0.253CS..Hα-helixtrans-61.3-48176.8-172.8-81000111.9P476 E477 F478 F483 F484 L492 V609 I612 E613 N633 F635 I636P476-F480 PolarHBondContact O-N 2.91Å; E477-F480 WeakPolarHBondContact O-CB 3.44Å; E477-F480 PolarHBondContact O-N 3.39Å; F478-F480 VanDerWaalsContact C-N 3.3Å; F478-F480 PolarHBondContact O-N 3.43Å; F480-F483 WeakPolarHBondContact O-CB 3.34Å; F480-F483 PolarHBondContact O-N 2.69Å; F480-F484 HydrophobicContact CD1-CD2 4.08Å; F480-F484 HydrophobicContact CD1-CE2 4.24Å; F480-F484 AromaticContact CE1-CD2 3.73Å; F480-F484 HydrophobicContact CE1-CD2 3.73Å; F480-F484 AromaticContact CE1-CE2 3.52Å; F480-F484 HydrophobicContact CE1-CE2 3.52Å; F480-F484 HydrophobicContact CE1-CZ 4.36Å; F480-F484 HydrophobicContact CE2-CE2 4.06Å; F480-F484 HydrophobicContact CZ-CD2 4.09Å; F480-F484 AromaticContact CZ-CE2 3.42Å; F480-F484 HydrophobicContact CZ-CE2 3.42Å; F480-F484 VanDerWaalsContact CZ-CE2 3.42Å; F480-F484 HydrophobicContact CZ-CZ 4.14Å; F480-F484 PolarHBondContact O-N 3.26Å; F480-L492 HydrophobicContact CD1-CD1 4.09Å; F480-L492 HydrophobicContact CE1-CD1 3.74Å; F480-V609 HydrophobicContact CE2-CG1 4.29Å; F480-V609 HydrophobicContact CZ-CG1 4.17Å; F480-V609 HydrophobicContact CZ-CG2 4.33Å; F480-I612 HydrophobicContact CD2-CB 4.31Å; F480-I612 HydrophobicContact CD2-CG2 3.59Å; F480-I612 HydrophobicContact CE2-CB 4.29Å; F480-I612 HydrophobicContact CE2-CG2 4.04Å; F480-I612 HydrophobicContact CG-CG2 4.4Å; F480-E613 HydrophobicContact CE2-CG 4.08Å; F480-N633 HydrophobicContact CD1-CB 4.32Å; F480-N633 HydrophobicContact CD2-CB 4.03Å; F480-N633 HydrophobicContact CE1-CB 4.13Å; F480-N633 HydrophobicContact CE2-CB 3.84Å; F480-N633 HydrophobicContact CG-CB 4.28Å; F480-N633 HydrophobicContact CZ-CB 3.89Å; F480-N633 VanDerWaalsContact CZ-CG 3.41Å; F480-F635 AromaticContact CD1-CD2 3.9Å; F480-F635 HydrophobicContact CD1-CD2 3.9Å; F480-F635 HydrophobicContact CE1-CD2 4.33Å; F480-I636 HydrophobicContact CE1-CD1 3.9Å; F480-I636 HydrophobicContact CE1-CG1 4.27Å; F480-I636 HydrophobicContact CZ-CD1 4Å; F480-I636 HydrophobicContact CZ-CG1 4.49Å
481L94.5Very high93.5Very high19 Ų1957.4 Ų57.410%0.09928%0.278CS..Hα-helixtrans-62.5-46.6178.1-68.1165.2000112E477 F478 F483 F484 S485 L492 K494 F635E477-L481 VanDerWaalsContact O-CG 3.27Å; E477-L481 WeakPolarHBondContact O-CG 3.45Å; E477-L481 PolarHBondContact O-N 2.87Å; F478-L481 HydrophobicContact CD1-CD1 4.44Å; F478-L481 PolarHBondContact O-N 2.85Å; L481-F483 VanDerWaalsContact C-N 3.26Å; L481-F483 PolarHBondContact O-N 3.45Å; L481-F484 PolarHBondContact O-N 2.81Å; L481-S485 PolarHBondContact O-N 3.28Å; L481-S485 VanDerWaalsContact O-N 3.14Å; L481-L492 HydrophobicContact CD2-CB 3.72Å; L481-L492 HydrophobicContact CD2-CD1 4.08Å; L481-L492 HydrophobicContact CD2-CG 4.44Å; L481-K494 HydrophobicContact CD1-CD 3.8Å; L481-K494 HydrophobicContact CD1-CG 4.09Å; L481-K494 HydrophobicContact CD2-CG 4.24Å; L481-F635 HydrophobicContact CD1-CE1 4.37Å; L481-F635 HydrophobicContact CD1-CE2 3.99Å; L481-F635 HydrophobicContact CD1-CZ 3.78Å; L481-F635 HydrophobicContact CD2-CD1 4.21Å; L481-F635 HydrophobicContact CD2-CD2 3.8Å; L481-F635 HydrophobicContact CD2-CE1 4.27Å; L481-F635 HydrophobicContact CD2-CE2 3.87Å; L481-F635 HydrophobicContact CD2-CG 3.97Å; L481-F635 HydrophobicContact CD2-CZ 4.11Å; L481-F635 HydrophobicContact CG-CD2 4.07Å; L481-F635 HydrophobicContact CG-CE2 3.69Å; L481-F635 HydrophobicContact CG-CZ 3.99Å
482S94.9Very high93.6Very high57 Ų5751 Ų5140%0.39926%0.255SS..Hα-helixtrans-61.3-37.2177.5-70.80000111.7F478 S479 S485 E486F478-S482 WeakPolarHBondContact O-CB 3.42Å; F478-S482 PolarHBondContact O-N 3.36Å; F478-S482 PolarHBondContact O-OG 3.01Å; S479-S482 PolarHBondContact O-N 2.83Å; S482-S485 PolarHBondContact O-N 3.35Å; S482-E486 VanDerWaalsContact O-CB 3.26Å; S482-E486 WeakPolarHBondContact O-CB 3.37Å; S482-E486 PolarHBondContact O-N 2.65Å
483F96.2Very high93.7Very high3 Ų344.5 Ų44.51%0.01323%0.231CC..Hα-helixtrans-59.7-49.2176.3-175.4-79.6000112.1I421 L425 L468 P470 S479 F480 L481 S485 E486 F487 L608 I612I421-F483 HydrophobicContact CG2-CE1 4.15Å; I421-F483 HydrophobicContact CG2-CZ 3.55Å; L425-F483 HydrophobicContact CD1-CE2 4.25Å; L425-F483 HydrophobicContact CD1-CZ 3.89Å; L425-F483 HydrophobicContact CD2-CE2 3.88Å; L425-F483 HydrophobicContact CD2-CZ 4.34Å; L425-F483 HydrophobicContact CG-CE2 4.41Å; L425-F483 HydrophobicContact CG-CZ 4.39Å; L468-F483 HydrophobicContact CD2-CD2 4.49Å; L468-F483 HydrophobicContact CD2-CE2 3.51Å; L468-F483 HydrophobicContact CD2-CZ 4.14Å; P470-F483 HydrophobicContact CB-CD2 4.33Å; P470-F483 HydrophobicContact CG-CD2 4.35Å; S479-F483 WeakPolarHBondContact O-CB 3.42Å; S479-F483 PolarHBondContact O-N 2.91Å; F480-F483 WeakPolarHBondContact O-CB 3.34Å; F480-F483 PolarHBondContact O-N 2.69Å; L481-F483 VanDerWaalsContact C-N 3.26Å; L481-F483 PolarHBondContact O-N 3.45Å; F483-S485 VanDerWaalsContact C-N 3.34Å; F483-S485 PolarHBondContact O-N 3.08Å; F483-E486 PolarHBondContact O-N 2.94Å; F483-F487 HydrophobicContact CD1-CD2 4.22Å; F483-F487 AromaticContact CD2-CD2 3.51Å; F483-F487 HydrophobicContact CD2-CD2 3.51Å; F483-F487 AromaticContact CD2-CE2 3.77Å; F483-F487 HydrophobicContact CD2-CE2 3.77Å; F483-F487 HydrophobicContact CE1-CB 4.24Å; F483-F487 HydrophobicContact CE1-CD2 4.24Å; F483-F487 AromaticContact CE2-CD2 3.56Å; F483-F487 HydrophobicContact CE2-CD2 3.56Å; F483-F487 AromaticContact CE2-CE2 3.91Å; F483-F487 HydrophobicContact CE2-CE2 3.91Å; F483-F487 HydrophobicContact CE2-CG 4.32Å; F483-F487 AromaticContact CG-CD2 3.87Å; F483-F487 HydrophobicContact CG-CD2 3.87Å; F483-F487 HydrophobicContact CG-CE2 4.45Å; F483-F487 HydrophobicContact CZ-CB 4.35Å; F483-F487 AromaticContact CZ-CD2 3.94Å; F483-F487 HydrophobicContact CZ-CD2 3.94Å; F483-F487 HydrophobicContact CZ-CG 4.33Å; F483-F487 WeakPolarHBondContact O-CD2 3.48Å; F483-F487 PolarHBondContact O-N 2.72Å; F483-L608 HydrophobicContact CE1-CD1 4.35Å; F483-L608 HydrophobicContact CZ-CD1 4.42Å; F483-I612 HydrophobicContact CD1-CD1 3.34Å; F483-I612 HydrophobicContact CD1-CG1 4.29Å; F483-I612 HydrophobicContact CD2-CD1 4.48Å; F483-I612 HydrophobicContact CE1-CD1 3.17Å; F483-I612 HydrophobicContact CE1-CG1 4.1Å; F483-I612 HydrophobicContact CE2-CD1 4.32Å; F483-I612 HydrophobicContact CE2-CG1 4.43Å; F483-I612 HydrophobicContact CG-CD1 4.03Å; F483-I612 HydrophobicContact CG-CG2 4.46Å; F483-I612 HydrophobicContact CZ-CD1 3.69Å; F483-I612 HydrophobicContact CZ-CG1 4.15Å
484F95.7Very high93.8Very high0 Ų048.2 Ų48.20%024%0.244CC..Iπ-helixtrans-63.5-40.5180-91.2-100.9000112.2F480 L481 L488 N489 V490 L492 I506 L605 V609 I612 I636F480-F484 HydrophobicContact CD1-CD2 4.08Å; F480-F484 HydrophobicContact CD1-CE2 4.24Å; F480-F484 AromaticContact CE1-CD2 3.73Å; F480-F484 HydrophobicContact CE1-CD2 3.73Å; F480-F484 AromaticContact CE1-CE2 3.52Å; F480-F484 HydrophobicContact CE1-CE2 3.52Å; F480-F484 HydrophobicContact CE1-CZ 4.36Å; F480-F484 HydrophobicContact CE2-CE2 4.06Å; F480-F484 HydrophobicContact CZ-CD2 4.09Å; F480-F484 AromaticContact CZ-CE2 3.42Å; F480-F484 HydrophobicContact CZ-CE2 3.42Å; F480-F484 VanDerWaalsContact CZ-CE2 3.42Å; F480-F484 HydrophobicContact CZ-CZ 4.14Å; F480-F484 PolarHBondContact O-N 3.26Å; L481-F484 PolarHBondContact O-N 2.81Å; F484-L488 HydrophobicContact CD1-CD1 3.6Å; F484-L488 HydrophobicContact CE1-CD1 3.55Å; F484-L488 HydrophobicContact CG-CD1 4.23Å; F484-L488 HydrophobicContact CZ-CD1 4.16Å; F484-L488 CarbonylContact O-C 3.58Å; F484-L488 WeakPolarHBondContact O-CA 3.27Å; F484-L488 WeakPolarHBondContact O-CB 3.43Å; F484-L488 PolarHBondContact O-N 3.41Å; F484-L488 VanDerWaalsContact O-N 3.15Å; F484-N489 PolarHBondContact O-N 3.22Å; F484-N489 VanDerWaalsContact O-N 3.16Å; F484-V490 CarbonylContact C-O 3.58Å; F484-V490 VanDerWaalsContact C-O 3.23Å; F484-V490 PolarHBondContact O-N 3.27Å; F484-V490 VanDerWaalsContact O-N 3.14Å; F484-L492 HydrophobicContact CB-CD1 3.92Å; F484-L492 HydrophobicContact CB-CG 4.04Å; F484-L492 HydrophobicContact CD1-CD1 4.13Å; F484-L492 HydrophobicContact CD1-CD2 4.14Å; F484-L492 HydrophobicContact CD1-CG 4.33Å; F484-L492 HydrophobicContact CD2-CD1 4.01Å; F484-L492 HydrophobicContact CG-CD1 3.74Å; F484-L492 HydrophobicContact CG-CD2 4.49Å; F484-L492 HydrophobicContact CG-CG 4.19Å; F484-I506 HydrophobicContact CE1-CG2 4.31Å; F484-L605 HydrophobicContact CE1-CD1 4.33Å; F484-L605 HydrophobicContact CZ-CD1 4.46Å; F484-V609 HydrophobicContact CE2-CG2 4.41Å; F484-V609 HydrophobicContact CZ-CG2 3.78Å; F484-I612 HydrophobicContact CE2-CD1 4.2Å; F484-I636 HydrophobicContact CD1-CD1 4.12Å; F484-I636 HydrophobicContact CE1-CD1 3.45Å; F484-I636 VanDerWaalsContact CE1-CD1 3.45Å; F484-I636 HydrophobicContact CE2-CD1 3.92Å; F484-I636 HydrophobicContact CZ-CD1 3.35Å
485S95.6Very high94Very high46 Ų4645.8 Ų45.832%0.32224%0.24SC..Iπ-helixtrans-63.4-49.6175.7-175.40000111.2L481 S482 F483 N489 V490 N491L481-S485 PolarHBondContact O-N 3.28Å; L481-S485 VanDerWaalsContact O-N 3.14Å; S482-S485 PolarHBondContact O-N 3.35Å; F483-S485 VanDerWaalsContact C-N 3.34Å; F483-S485 PolarHBondContact O-N 3.08Å; S485-N489 VanDerWaalsContact O-CA 3.23Å; S485-N489 WeakPolarHBondContact O-CA 3.32Å; S485-N489 PolarHBondContact O-N 2.93Å; S485-N489 VanDerWaalsContact O-N 3.17Å; S485-V490 WeakPolarHBondContact CA-O 3.5Å; S485-V490 PolarHBondContact N-O 3.08Å; S485-N491 VanDerWaalsContact CB-OD1 3.31Å; S485-N491 WeakPolarHBondContact CB-OD1 3.44Å; S485-N491 PolarHBondContact OG-OD1 3.07Å
486E95.4Very high94.3Very high77 Ų7745 Ų4536%0.3623%0.233SC..Iπ-helixtrans-70.2-48.6-174.3-178172-177.900113.6R471 S482 F483R471-E486 WeakPolarHBondContact CD-OE2 3.28Å; R471-E486 IonicContact CZ-OE1 3.41Å; R471-E486 IonicContact CZ-OE2 3.19Å; R471-E486 IonicContact NE-OE1 3.85Å; R471-E486 IonicContact NE-OE2 2.69Å; R471-E486 PolarHBondContact NE-OE2 2.9Å; R471-E486 VanDerWaalsContact NH1-CD 3.27Å; R471-E486 IonicContact NH1-OE1 3.44Å; R471-E486 PolarHBondContact NH1-OE1 3.4Å; R471-E486 IonicContact NH1-OE2 2.94Å; R471-E486 PolarHBondContact NH1-OE2 3.19Å; R471-E486 IonicContact NH2-OE1 2.69Å; R471-E486 PolarHBondContact NH2-OE1 3.33Å; R471-E486 IonicContact NH2-OE2 2.7Å; S482-E486 VanDerWaalsContact O-CB 3.26Å; S482-E486 WeakPolarHBondContact O-CB 3.37Å; S482-E486 PolarHBondContact O-N 2.65Å; F483-E486 PolarHBondContact O-N 2.94Å
487F96Very high94.4Very high45 Ų4549.9 Ų49.920%0.19725%0.252CS..Iπ-helixtrans-97.1-26.9-169.1-62.6-71.9000113.4K417 I421 L468 F483K417-F487 WeakPolarHBondContact CE-O 3.28Å; I421-F487 HydrophobicContact CD1-CB 4.01Å; L468-F487 HydrophobicContact CD1-CD1 3.64Å; L468-F487 HydrophobicContact CD1-CE1 3.55Å; L468-F487 HydrophobicContact CD1-CG 4.28Å; L468-F487 HydrophobicContact CD1-CZ 4.13Å; L468-F487 HydrophobicContact CD2-CD2 4.39Å; L468-F487 HydrophobicContact CD2-CE1 4.16Å; L468-F487 HydrophobicContact CD2-CE2 4.01Å; L468-F487 HydrophobicContact CD2-CZ 3.88Å; L468-F487 HydrophobicContact CG-CD1 4.36Å; L468-F487 HydrophobicContact CG-CE1 3.83Å; L468-F487 HydrophobicContact CG-CZ 3.93Å; F483-F487 HydrophobicContact CD1-CD2 4.22Å; F483-F487 AromaticContact CD2-CD2 3.51Å; F483-F487 HydrophobicContact CD2-CD2 3.51Å; F483-F487 AromaticContact CD2-CE2 3.77Å; F483-F487 HydrophobicContact CD2-CE2 3.77Å; F483-F487 HydrophobicContact CE1-CB 4.24Å; F483-F487 HydrophobicContact CE1-CD2 4.24Å; F483-F487 AromaticContact CE2-CD2 3.56Å; F483-F487 HydrophobicContact CE2-CD2 3.56Å; F483-F487 AromaticContact CE2-CE2 3.91Å; F483-F487 HydrophobicContact CE2-CE2 3.91Å; F483-F487 HydrophobicContact CE2-CG 4.32Å; F483-F487 AromaticContact CG-CD2 3.87Å; F483-F487 HydrophobicContact CG-CD2 3.87Å; F483-F487 HydrophobicContact CG-CE2 4.45Å; F483-F487 HydrophobicContact CZ-CB 4.35Å; F483-F487 AromaticContact CZ-CD2 3.94Å; F483-F487 HydrophobicContact CZ-CD2 3.94Å; F483-F487 HydrophobicContact CZ-CG 4.33Å; F483-F487 WeakPolarHBondContact O-CD2 3.48Å; F483-F487 PolarHBondContact O-N 2.72Å
488L95.6Very high94.6Very high5 Ų549.6 Ų49.63%0.02625%0.254CS..Iπ-helixtrans-108.5-9.4-179-63.6174.4000113.4I421 F484 V490 L510 L608I421-L488 HydrophobicContact CD1-CD2 3.67Å; I421-L488 HydrophobicContact CD1-CG 4.41Å; F484-L488 HydrophobicContact CD1-CD1 3.6Å; F484-L488 HydrophobicContact CE1-CD1 3.55Å; F484-L488 HydrophobicContact CG-CD1 4.23Å; F484-L488 HydrophobicContact CZ-CD1 4.16Å; F484-L488 CarbonylContact O-C 3.58Å; F484-L488 WeakPolarHBondContact O-CA 3.27Å; F484-L488 WeakPolarHBondContact O-CB 3.43Å; F484-L488 PolarHBondContact O-N 3.41Å; F484-L488 VanDerWaalsContact O-N 3.15Å; L488-V490 VanDerWaalsContact C-N 3.3Å; L488-V490 HydrophobicContact CB-CG2 4.22Å; L488-L510 HydrophobicContact CB-CD2 4.26Å; L488-L510 HydrophobicContact CD1-CD1 4.24Å; L488-L510 HydrophobicContact CD2-CD1 4.46Å; L488-L510 HydrophobicContact CD2-CD2 4.37Å; L488-L608 HydrophobicContact CD1-CD2 3.86Å
489N95.7Very high94.7Very high101 Ų10145.4 Ų45.454%0.5424%0.236SC..  trans54.647.6-173-166.242.9000111.4F484 S485 R513F484-N489 PolarHBondContact O-N 3.22Å; F484-N489 VanDerWaalsContact O-N 3.16Å; S485-N489 VanDerWaalsContact O-CA 3.23Å; S485-N489 WeakPolarHBondContact O-CA 3.32Å; S485-N489 PolarHBondContact O-N 2.93Å; S485-N489 VanDerWaalsContact O-N 3.17Å; N489-R513 PolarHBondContact O-NH1 2.89Å
490V95.9Very high94.8Very high1 Ų147.8 Ų47.81%0.00625%0.247CC..  trans-131.1114.8179.6177.70000108.9F484 S485 L488 L492 I506 L510 L706F484-V490 CarbonylContact C-O 3.58Å; F484-V490 VanDerWaalsContact C-O 3.23Å; F484-V490 PolarHBondContact O-N 3.27Å; F484-V490 VanDerWaalsContact O-N 3.14Å; S485-V490 WeakPolarHBondContact CA-O 3.5Å; S485-V490 PolarHBondContact N-O 3.08Å; L488-V490 VanDerWaalsContact C-N 3.3Å; L488-V490 HydrophobicContact CB-CG2 4.22Å; V490-L492 HydrophobicContact CG1-CD2 3.92Å; V490-L492 PolarHBondContact O-N 3.19Å; V490-I506 HydrophobicContact CG1-CG1 4.21Å; V490-L510 HydrophobicContact CG2-CD2 3.94Å; V490-L706 HydrophobicContact CG1-CD1 4.47Å; V490-L706 HydrophobicContact CG1-CD2 3.96Å
491N95.1Very high94.9Very high105 Ų10547.6 Ų47.656%0.56125%0.247SC*.  trans-91.697.8176.2-66.2-45.7000109.7S485 L706S485-N491 VanDerWaalsContact CB-OD1 3.31Å; S485-N491 WeakPolarHBondContact CB-OD1 3.44Å; S485-N491 PolarHBondContact OG-OD1 3.07Å; N491-L706 VanDerWaalsContact O-CD2 3.23Å; N491-L706 WeakPolarHBondContact O-CD2 3.27Å
492L94.3Very high95Very high17 Ų1746.8 Ų46.89%0.08924%0.242CC..  trans-63.3136.2-179-58.7176.5000111.6F480 L481 F484 V490 I506 F635 I636F480-L492 HydrophobicContact CD1-CD1 4.09Å; F480-L492 HydrophobicContact CE1-CD1 3.74Å; L481-L492 HydrophobicContact CD2-CB 3.72Å; L481-L492 HydrophobicContact CD2-CD1 4.08Å; L481-L492 HydrophobicContact CD2-CG 4.44Å; F484-L492 HydrophobicContact CB-CD1 3.92Å; F484-L492 HydrophobicContact CB-CG 4.04Å; F484-L492 HydrophobicContact CD1-CD1 4.13Å; F484-L492 HydrophobicContact CD1-CD2 4.14Å; F484-L492 HydrophobicContact CD1-CG 4.33Å; F484-L492 HydrophobicContact CD2-CD1 4.01Å; F484-L492 HydrophobicContact CG-CD1 3.74Å; F484-L492 HydrophobicContact CG-CD2 4.49Å; F484-L492 HydrophobicContact CG-CG 4.19Å; V490-L492 HydrophobicContact CG1-CD2 3.92Å; V490-L492 PolarHBondContact O-N 3.19Å; L492-I506 HydrophobicContact CD2-CD1 3.29Å; L492-I506 HydrophobicContact CD2-CG1 4.01Å; L492-F635 HydrophobicContact CD1-CB 4.21Å; L492-I636 HydrophobicContact CD1-CD1 3.85Å; L492-I636 HydrophobicContact CD1-CG1 4.12Å; L492-I636 HydrophobicContact CD2-CD1 4Å; L492-I636 HydrophobicContact CD2-CG1 4.22Å
493D92.9Very high95.2Very high34 Ų3444.1 Ų44.118%0.18222%0.224CC..  trans-85.3116.2173.9-171.3-27.7000109.3D495 F496 Q502 L702 K705D493-D495 VanDerWaalsContact C-N 3.28Å; D493-D495 PolarHBondContact O-N 3.15Å; D493-D495 PolarHBondContact OD1-N 3.35Å; D493-F496 HydrophobicContact CB-CB 3.74Å; D493-F496 PolarHBondContact OD1-N 3.41Å; D493-Q502 PolarHBondContact O-NE2 2.93Å; D493-Q502 PolarHBondContact O-OE1 3.17Å; D493-L702 HydrophobicContact CB-CD1 4.48Å; D493-K705 IonicContact OD2-NZ 2.85Å; D493-K705 PolarHBondContact OD2-NZ 2.97Å
494K91.8Very high95.3Very high97 Ų9744.1 Ų44.142%0.42222%0.224SC..SBendtrans-70.4-29.4-173.2-54.3-173.1-163.1-165.60112.5L481 F635L481-K494 HydrophobicContact CD1-CD 3.8Å; L481-K494 HydrophobicContact CD1-CG 4.09Å; L481-K494 HydrophobicContact CD2-CG 4.24Å; K494-F635 HydrophobicContact CB-CD1 4.34Å; K494-F635 HydrophobicContact CB-CE1 4Å; K494-F635 HydrophobicContact CG-CE1 4.08Å
495D92.8Very high95.4Very high142 Ų14244.1 Ų44.176%0.75922%0.224SC*.SBendtrans-102.2-2.6-172.2-57.1-47.1000111.5D493 K497D493-D495 VanDerWaalsContact C-N 3.28Å; D493-D495 PolarHBondContact O-N 3.15Å; D493-D495 PolarHBondContact OD1-N 3.35Å; D495-K497 PolarHBondContact O-N 3.17Å
496F94.7Very high95.5Very high31 Ų3142 Ų4214%0.13621%0.209CC..  trans-65.5128.8-178.3-168.1-84.9000112.2D493 P498 I501 Q502 K698 L702D493-F496 HydrophobicContact CB-CB 3.74Å; D493-F496 PolarHBondContact OD1-N 3.41Å; F496-P498 WeakPolarHBondContact CD1-O 3.5Å; F496-P498 WeakPolarHBondContact CE1-O 3.47Å; F496-I501 HydrophobicContact CE1-CB 3.96Å; F496-I501 HydrophobicContact CE1-CG2 3.83Å; F496-I501 HydrophobicContact CZ-CG2 3.96Å; F496-Q502 HydrophobicContact CD1-CB 3.79Å; F496-Q502 HydrophobicContact CE1-CB 4.26Å; F496-K698 HydrophobicContact CZ-CB 4.39Å; F496-L702 HydrophobicContact CD1-CD2 3.96Å; F496-L702 HydrophobicContact CD2-CD1 4.03Å; F496-L702 HydrophobicContact CD2-CD2 3.98Å; F496-L702 HydrophobicContact CD2-CG 4.41Å; F496-L702 HydrophobicContact CE1-CD2 3.73Å; F496-L702 HydrophobicContact CE2-CB 3.83Å; F496-L702 HydrophobicContact CE2-CD1 4.16Å; F496-L702 HydrophobicContact CE2-CD2 3.76Å; F496-L702 HydrophobicContact CE2-CG 4.12Å; F496-L702 HydrophobicContact CG-CD2 4.08Å; F496-L702 HydrophobicContact CZ-CB 4.05Å; F496-L702 HydrophobicContact CZ-CD2 3.62Å; F496-L702 HydrophobicContact CZ-CG 4.36Å
497K93.6Very high95.6Very high124 Ų12438.5 Ų38.554%0.53919%0.193SC..SBendtrans-135.3141.1172.6-59.5-64.6173.3-164.80109.8D495 V499D495-K497 PolarHBondContact O-N 3.17Å; K497-V499 HydrophobicContact CD-CG2 3.62Å
498P94.3Very high95.7Very high38 Ų3836.3 Ų36.325%0.24718%0.183CC..SBendcis-71.6145.7-1.5-17.131.6000114F496 E500 I501 Q502F496-P498 WeakPolarHBondContact CD1-O 3.5Å; F496-P498 WeakPolarHBondContact CE1-O 3.47Å; P498-E500 VanDerWaalsContact C-N 3.28Å; P498-E500 PolarHBondContact O-N 2.94Å; P498-I501 HydrophobicContact CB-CG1 4.32Å; P498-I501 HydrophobicContact CG-CD1 4.04Å; P498-I501 HydrophobicContact CG-CG1 4.34Å; P498-I501 PolarHBondContact O-N 3.25Å; P498-Q502 PolarHBondContact O-N 3.39Å
499V94.9Very high95.8Very high7 Ų736.1 Ų36.14%0.04218%0.182CC..Hα-helixtrans-69.7-29.5-175.3-170.60000111.5K497 I501 Q502 G503 F635 R637K497-V499 HydrophobicContact CD-CG2 3.62Å; V499-I501 VanDerWaalsContact C-N 3.3Å; V499-I501 PolarHBondContact O-N 3.36Å; V499-Q502 WeakPolarHBondContact O-CB 3.46Å; V499-Q502 PolarHBondContact O-N 2.64Å; V499-Q502 VanDerWaalsContact O-N 3.13Å; V499-G503 PolarHBondContact O-N 3.22Å; V499-F635 VanDerWaalsContact CG1-O 3.23Å; V499-F635 WeakPolarHBondContact CG1-O 3.22Å; V499-R637 HydrophobicContact CB-CB 4.3Å; V499-R637 HydrophobicContact CB-CG 4.29Å; V499-R637 HydrophobicContact CG1-CB 4.1Å; V499-R637 HydrophobicContact CG1-CG 3.97Å
500E95.9Very high95.9Very high51 Ų5131.9 Ų31.924%0.23816%0.159CC..Hα-helixtrans-64.8-34.4176.7-64.173.8-166.400111.7P498 G503 L504 R637 Y639P498-E500 VanDerWaalsContact C-N 3.28Å; P498-E500 PolarHBondContact O-N 2.94Å; E500-G503 PolarHBondContact O-N 3.14Å; E500-L504 PolarHBondContact O-N 3.43Å; E500-R637 WeakPolarHBondContact CA-O 3.44Å; E500-R637 HydrophobicContact CG-CB 3.91Å; E500-R637 WeakPolarHBondContact OE1-CD 3.47Å; E500-R637 IonicContact OE1-NH1 3.8Å; E500-Y639 HydrophobicContact CB-CD1 4.16Å; E500-Y639 HydrophobicContact CB-CD2 4.14Å; E500-Y639 HydrophobicContact CB-CE1 3.74Å; E500-Y639 HydrophobicContact CB-CE2 3.74Å; E500-Y639 HydrophobicContact CB-CG 4.34Å; E500-Y639 HydrophobicContact CG-CE1 4.33Å; E500-Y639 WeakPolarHBondContact O-CE2 3.29Å
501I97.6Very high96Very high0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-67.7-37.7172.6-65.8-172.4000110.6F496 P498 V499 L504 A505 Y639 D695 L699F496-I501 HydrophobicContact CE1-CB 3.96Å; F496-I501 HydrophobicContact CE1-CG2 3.83Å; F496-I501 HydrophobicContact CZ-CG2 3.96Å; P498-I501 HydrophobicContact CB-CG1 4.32Å; P498-I501 HydrophobicContact CG-CD1 4.04Å; P498-I501 HydrophobicContact CG-CG1 4.34Å; P498-I501 PolarHBondContact O-N 3.25Å; V499-I501 VanDerWaalsContact C-N 3.3Å; V499-I501 PolarHBondContact O-N 3.36Å; I501-L504 PolarHBondContact O-N 3.42Å; I501-A505 WeakPolarHBondContact O-CB 3.09Å; I501-A505 PolarHBondContact O-N 3.02Å; I501-Y639 WeakPolarHBondContact CG1-OH 3.35Å; I501-D695 HydrophobicContact CD1-CB 3.67Å; I501-L699 HydrophobicContact CG2-CB 3.82Å; I501-L699 HydrophobicContact CG2-CD1 3.94Å; I501-L699 HydrophobicContact CG2-CG 4.48Å
502Q96.9Very high96.1Very high1 Ų127.7 Ų27.71%0.00514%0.136CC..Hα-helixtrans-63.6-41.5173.1176.8155.3-10800111.6D493 F496 P498 V499 L504 A505 I506 F635 L702D493-Q502 PolarHBondContact O-NE2 2.93Å; D493-Q502 PolarHBondContact O-OE1 3.17Å; F496-Q502 HydrophobicContact CD1-CB 3.79Å; F496-Q502 HydrophobicContact CE1-CB 4.26Å; P498-Q502 PolarHBondContact O-N 3.39Å; V499-Q502 WeakPolarHBondContact O-CB 3.46Å; V499-Q502 PolarHBondContact O-N 2.64Å; V499-Q502 VanDerWaalsContact O-N 3.13Å; Q502-L504 VanDerWaalsContact C-N 3.35Å; Q502-L504 PolarHBondContact O-N 2.95Å; Q502-A505 PolarHBondContact O-N 3.35Å; Q502-I506 HydrophobicContact CG-CD1 3.84Å; Q502-I506 HydrophobicContact CG-CG1 4.46Å; Q502-I506 VanDerWaalsContact O-CD1 3.31Å; Q502-I506 WeakPolarHBondContact O-CD1 3.38Å; Q502-I506 WeakPolarHBondContact O-CG1 3.5Å; Q502-I506 PolarHBondContact O-N 3.11Å; Q502-F635 PolarHBondContact NE2-O 3Å; Q502-L702 HydrophobicContact CB-CD2 3.82Å; Q502-L702 HydrophobicContact CG-CD2 4.07Å
503G97.2Very high96.2Very high1 Ų130.3 Ų30.31%0.0115%0.145CC..Hα-helixtrans-59.2-42.617300000113.3V499 E500 I506 L507 R637V499-G503 PolarHBondContact O-N 3.22Å; E500-G503 PolarHBondContact O-N 3.14Å; G503-I506 PolarHBondContact O-N 3.02Å; G503-L507 PolarHBondContact O-N 3.13Å; G503-L507 VanDerWaalsContact O-N 3.08Å; G503-R637 WeakPolarHBondContact CA-O 3.45Å
504L98.3Very high96.3Very high4 Ų431 Ų312%0.02115%0.152CC..Hα-helixtrans-64.1-42.5174.5178.259.3000112.2E500 I501 Q502 I506 L507 L508 T538 Y639 L644 L699E500-L504 PolarHBondContact O-N 3.43Å; I501-L504 PolarHBondContact O-N 3.42Å; Q502-L504 VanDerWaalsContact C-N 3.35Å; Q502-L504 PolarHBondContact O-N 2.95Å; L504-I506 PolarHBondContact O-N 3.38Å; L504-L507 PolarHBondContact O-N 2.86Å; L504-L508 HydrophobicContact CD1-CD1 3.95Å; L504-L508 HydrophobicContact CD1-CG 4.15Å; L504-L508 HydrophobicContact CG-CD1 3.92Å; L504-L508 WeakPolarHBondContact O-CG 3.5Å; L504-L508 PolarHBondContact O-N 3.27Å; L504-T538 HydrophobicContact CD2-CG2 4.03Å; L504-Y639 HydrophobicContact CB-CE2 4.44Å; L504-Y639 HydrophobicContact CD2-CE2 4.45Å; L504-L644 HydrophobicContact CD1-CD2 3.88Å; L504-L699 HydrophobicContact CB-CD1 4.34Å; L504-L699 HydrophobicContact CD2-CD1 4.25Å; L504-L699 HydrophobicContact CD2-CD2 3.7Å; L504-L699 HydrophobicContact CG-CD1 4.08Å; L504-L699 HydrophobicContact CG-CD2 4.22Å
505A98.3Very high96.5Very high0 Ų026.3 Ų26.30%013%0.132CC..Hα-helixtrans-59.6-46177.400000111.5I501 Q502 L508 V509 L699 L702 I703 L706I501-A505 WeakPolarHBondContact O-CB 3.09Å; I501-A505 PolarHBondContact O-N 3.02Å; Q502-A505 PolarHBondContact O-N 3.35Å; A505-L508 PolarHBondContact O-N 3.39Å; A505-V509 WeakPolarHBondContact O-CB 3.27Å; A505-V509 VanDerWaalsContact O-CG2 3.29Å; A505-V509 WeakPolarHBondContact O-CG2 3.09Å; A505-V509 PolarHBondContact O-N 3.4Å; A505-L699 HydrophobicContact CB-CD1 3.76Å; A505-L702 HydrophobicContact CB-CD2 3.72Å; A505-L702 HydrophobicContact CB-CG 4.03Å; A505-I703 HydrophobicContact CB-CG1 3.98Å; A505-L706 HydrophobicContact CB-CD1 3.93Å
506I97.7Very high96.4Very high0 Ų023 Ų230%012%0.12CC..Hα-helixtrans-63.2-44.9179.2-62.5157.9000110.6F484 V490 L492 Q502 G503 L504 L508 V509 L510 L605 I636 L706F484-I506 HydrophobicContact CE1-CG2 4.31Å; V490-I506 HydrophobicContact CG1-CG1 4.21Å; L492-I506 HydrophobicContact CD2-CD1 3.29Å; L492-I506 HydrophobicContact CD2-CG1 4.01Å; Q502-I506 HydrophobicContact CG-CD1 3.84Å; Q502-I506 HydrophobicContact CG-CG1 4.46Å; Q502-I506 VanDerWaalsContact O-CD1 3.31Å; Q502-I506 WeakPolarHBondContact O-CD1 3.38Å; Q502-I506 WeakPolarHBondContact O-CG1 3.5Å; Q502-I506 PolarHBondContact O-N 3.11Å; G503-I506 PolarHBondContact O-N 3.02Å; L504-I506 PolarHBondContact O-N 3.38Å; I506-L508 VanDerWaalsContact C-N 3.34Å; I506-L508 PolarHBondContact O-N 2.88Å; I506-V509 PolarHBondContact O-N 3.01Å; I506-L510 HydrophobicContact CG2-CD1 3.72Å; I506-L510 HydrophobicContact CG2-CG 4.14Å; I506-L510 WeakPolarHBondContact O-CB 3.41Å; I506-L510 VanDerWaalsContact O-CG 3.25Å; I506-L510 WeakPolarHBondContact O-CG 3.44Å; I506-L510 PolarHBondContact O-N 3.38Å; I506-L605 HydrophobicContact CB-CD2 4.45Å; I506-L605 HydrophobicContact CG2-CD1 4.42Å; I506-L605 HydrophobicContact CG2-CD2 3.9Å; I506-I636 HydrophobicContact CD1-CD1 3.61Å; I506-I636 HydrophobicContact CD1-CG1 3.73Å; I506-I636 HydrophobicContact CD1-CG2 4.48Å; I506-L706 HydrophobicContact CG1-CD1 4.03Å
507L98.3Very high96.2Very high4 Ų422.4 Ų22.42%0.02112%0.117CC..Hα-helixtrans-55.4-50.7175.7171.359.7000111.2G503 L504 W511 L598 M601 A602 L605G503-L507 PolarHBondContact O-N 3.13Å; G503-L507 VanDerWaalsContact O-N 3.08Å; L504-L507 PolarHBondContact O-N 2.86Å; L507-W511 VanDerWaalsContact O-CB 3.3Å; L507-W511 WeakPolarHBondContact O-CB 3.26Å; L507-W511 PolarHBondContact O-N 2.97Å; L507-L598 HydrophobicContact CD1-CD2 4.48Å; L507-L598 HydrophobicContact CG-CD2 4.27Å; L507-M601 HydrophobicContact CD1-CB 3.65Å; L507-A602 HydrophobicContact CD1-CB 3.99Å; L507-A602 HydrophobicContact CD2-CB 3.84Å; L507-L605 HydrophobicContact CB-CD2 4.18Å
508L98.5Very high96.3Very high0 Ų016.5 Ų16.50%09%0.092CC..Hα-helixtrans-64-44.9-178.2-71.7166.7000111.9L504 A505 I506 W511 F512 L525 L534 S535 L598 L699 I703L504-L508 HydrophobicContact CD1-CD1 3.95Å; L504-L508 HydrophobicContact CD1-CG 4.15Å; L504-L508 HydrophobicContact CG-CD1 3.92Å; L504-L508 WeakPolarHBondContact O-CG 3.5Å; L504-L508 PolarHBondContact O-N 3.27Å; A505-L508 PolarHBondContact O-N 3.39Å; I506-L508 VanDerWaalsContact C-N 3.34Å; I506-L508 PolarHBondContact O-N 2.88Å; L508-W511 PolarHBondContact O-N 2.82Å; L508-F512 VanDerWaalsContact O-CB 3.25Å; L508-F512 WeakPolarHBondContact O-CB 3.46Å; L508-F512 PolarHBondContact O-N 3.13Å; L508-L525 HydrophobicContact CB-CD1 3.97Å; L508-L525 HydrophobicContact CB-CD2 3.99Å; L508-L525 HydrophobicContact CD2-CD2 4.26Å; L508-L534 HydrophobicContact CD2-CD2 4.12Å; L508-S535 VanDerWaalsContact CD1-OG 3.26Å; L508-S535 WeakPolarHBondContact CD1-OG 3.36Å; L508-L598 HydrophobicContact CD2-CD2 4.2Å; L508-L699 HydrophobicContact CD1-CD1 4.4Å; L508-L699 HydrophobicContact CD1-CD2 4.27Å; L508-I703 HydrophobicContact CB-CD1 4.39Å; L508-I703 HydrophobicContact CD1-CD1 3.89Å
509V97.9Very high96.3Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-62.1-49.1178.5166.30000111A505 I506 F512 R513 L525 I703 L706A505-V509 WeakPolarHBondContact O-CB 3.27Å; A505-V509 VanDerWaalsContact O-CG2 3.29Å; A505-V509 WeakPolarHBondContact O-CG2 3.09Å; A505-V509 PolarHBondContact O-N 3.4Å; I506-V509 PolarHBondContact O-N 3.01Å; V509-F512 PolarHBondContact O-N 2.98Å; V509-R513 WeakPolarHBondContact O-CB 3.5Å; V509-R513 VanDerWaalsContact O-CG 3.24Å; V509-R513 WeakPolarHBondContact O-CG 3.45Å; V509-R513 PolarHBondContact O-N 3.35Å; V509-L525 HydrophobicContact CG2-CD1 4.1Å; V509-I703 HydrophobicContact CG2-CB 4.41Å; V509-I703 HydrophobicContact CG2-CG1 4.29Å; V509-I703 HydrophobicContact CG2-CG2 4.05Å; V509-L706 HydrophobicContact CG2-CB 4.19Å
510L97.6Very high96.1Very high12 Ų1228 Ų286%0.06314%0.139CC..Hα-helixtrans-65.2-42.7-179.9-66.5179.8000111.6M418 L488 V490 I506 S514 M601 L605M418-L510 HydrophobicContact CE-CD1 3.86Å; L488-L510 HydrophobicContact CB-CD2 4.26Å; L488-L510 HydrophobicContact CD1-CD1 4.24Å; L488-L510 HydrophobicContact CD2-CD1 4.46Å; L488-L510 HydrophobicContact CD2-CD2 4.37Å; V490-L510 HydrophobicContact CG2-CD2 3.94Å; I506-L510 HydrophobicContact CG2-CD1 3.72Å; I506-L510 HydrophobicContact CG2-CG 4.14Å; I506-L510 WeakPolarHBondContact O-CB 3.41Å; I506-L510 VanDerWaalsContact O-CG 3.25Å; I506-L510 WeakPolarHBondContact O-CG 3.44Å; I506-L510 PolarHBondContact O-N 3.38Å; L510-S514 PolarHBondContact O-N 3.29Å; L510-S514 PolarHBondContact O-OG 3.38Å; L510-M601 HydrophobicContact CB-CE 3.67Å; L510-L605 HydrophobicContact CD1-CD1 4.07Å; L510-L605 HydrophobicContact CD1-CD2 4.46Å
511W97.9Very high95.9Very high0 Ų029 Ų290%014%0.143CC..Hα-helixtrans-61.7-49.3175.4165.370.2000111.6L507 L508 R513 S514 S515 A518 L525 V530 Q594 E597 L598 M601L507-W511 VanDerWaalsContact O-CB 3.3Å; L507-W511 WeakPolarHBondContact O-CB 3.26Å; L507-W511 PolarHBondContact O-N 2.97Å; L508-W511 PolarHBondContact O-N 2.82Å; W511-R513 VanDerWaalsContact C-N 3.3Å; W511-R513 PolarHBondContact O-N 3.41Å; W511-S514 CarbonylContact O-C 3.41Å; W511-S514 PolarHBondContact O-N 2.95Å; W511-S515 WeakPolarHBondContact O-CB 3.42Å; W511-S515 PolarHBondContact O-N 2.81Å; W511-A518 HydrophobicContact CH2-CB 3.63Å; W511-A518 HydrophobicContact CZ2-CB 3.58Å; W511-A518 HydrophobicContact CZ3-CB 4.23Å; W511-L525 HydrophobicContact CE3-CD2 4.34Å; W511-L525 HydrophobicContact CZ3-CD2 4.09Å; W511-V530 HydrophobicContact CH2-CB 4.19Å; W511-V530 HydrophobicContact CH2-CG1 4.33Å; W511-Q594 HydrophobicContact CZ2-CB 3.87Å; W511-Q594 HydrophobicContact CZ2-CG 4.02Å; W511-E597 PolarHBondContact NE1-OE2 3.13Å; W511-L598 HydrophobicContact CB-CD2 3.68Å; W511-L598 HydrophobicContact CB-CG 4.37Å; W511-L598 HydrophobicContact CD2-CD1 3.95Å; W511-L598 HydrophobicContact CD2-CD2 3.48Å; W511-L598 VanDerWaalsContact CD2-CD2 3.48Å; W511-L598 HydrophobicContact CD2-CG 3.5Å; W511-L598 HydrophobicContact CE3-CD1 4.06Å; W511-L598 HydrophobicContact CE3-CD2 3.68Å; W511-L598 HydrophobicContact CE3-CG 3.99Å; W511-L598 HydrophobicContact CG-CD2 3.47Å; W511-L598 VanDerWaalsContact CG-CD2 3.47Å; W511-L598 HydrophobicContact CG-CG 3.66Å; W511-L598 HydrophobicContact CH2-CD1 4.04Å; W511-L598 HydrophobicContact CZ2-CD1 3.96Å; W511-L598 HydrophobicContact CZ2-CG 4.24Å; W511-L598 HydrophobicContact CZ3-CD1 4.1Å; W511-L598 HydrophobicContact CZ3-CD2 4.48Å; W511-M601 HydrophobicContact CB-CB 4.47Å; W511-M601 HydrophobicContact CB-CG 4.13Å
512F97.4Very high95.8Very high18 Ų1829.5 Ų29.58%0.07915%0.146CC..Hα-helixtrans-64.8-34.3-177.3-168.2-92.7000112.6L508 V509 S514 A518 Q519 A522 L525L508-F512 VanDerWaalsContact O-CB 3.25Å; L508-F512 WeakPolarHBondContact O-CB 3.46Å; L508-F512 PolarHBondContact O-N 3.13Å; V509-F512 PolarHBondContact O-N 2.98Å; F512-S514 VanDerWaalsContact C-N 3.26Å; F512-S514 PolarHBondContact O-N 3.36Å; F512-A518 HydrophobicContact CD2-CB 3.73Å; F512-A518 HydrophobicContact CE2-CB 3.97Å; F512-Q519 HydrophobicContact CE1-CG 4.39Å; F512-Q519 VanDerWaalsContact O-CG 3.27Å; F512-Q519 WeakPolarHBondContact O-CG 3.35Å; F512-Q519 PolarHBondContact O-NE2 2.94Å; F512-A522 HydrophobicContact CE2-CB 4.14Å; F512-A522 HydrophobicContact CZ-CB 4.35Å; F512-A522 WeakPolarHBondContact CZ-O 3.46Å; F512-L525 HydrophobicContact CB-CD1 4.07Å; F512-L525 HydrophobicContact CB-CD2 3.91Å; F512-L525 HydrophobicContact CB-CG 3.82Å; F512-L525 HydrophobicContact CD1-CG 4.43Å; F512-L525 HydrophobicContact CD2-CD2 3.93Å; F512-L525 HydrophobicContact CD2-CG 3.96Å; F512-L525 HydrophobicContact CG-CD1 4.47Å; F512-L525 HydrophobicContact CG-CD2 4.11Å; F512-L525 HydrophobicContact CG-CG 3.81Å
513R95.8Very high95.6Very high72 Ų7239.3 Ų39.327%0.27219%0.189SC..Hα-helixtrans-65.8-27.2173.2-74.7172175179.2-3.7112.9N489 V509 W511 Q519 L706 N707N489-R513 PolarHBondContact O-NH1 2.89Å; V509-R513 WeakPolarHBondContact O-CB 3.5Å; V509-R513 VanDerWaalsContact O-CG 3.24Å; V509-R513 WeakPolarHBondContact O-CG 3.45Å; V509-R513 PolarHBondContact O-N 3.35Å; W511-R513 VanDerWaalsContact C-N 3.3Å; W511-R513 PolarHBondContact O-N 3.41Å; R513-Q519 VanDerWaalsContact C-NE2 3.32Å; R513-Q519 PolarHBondContact O-NE2 2.89Å; R513-L706 PolarHBondContact NH2-O 3.15Å; R513-N707 VanDerWaalsContact NH2-CA 3.33Å; R513-N707 PolarHBondContact NH2-O 2.97Å
514S95.6Very high95.5Very high48 Ų4841.1 Ų41.134%0.33620%0.201SC..Hα-helixtrans-104.2-22.1-175.2-70.50000114.9C414 L510 W511 F512 S516C414-S514 WeakPolarHBondContact O-CB 3.27Å; C414-S514 PolarHBondContact O-OG 2.94Å; L510-S514 PolarHBondContact O-N 3.29Å; L510-S514 PolarHBondContact O-OG 3.38Å; W511-S514 CarbonylContact O-C 3.41Å; W511-S514 PolarHBondContact O-N 2.95Å; F512-S514 VanDerWaalsContact C-N 3.26Å; F512-S514 PolarHBondContact O-N 3.36Å; S514-S516 PolarHBondContact O-N 3.44Å
515S95.1Very high95.4Very high0 Ų041 Ų410%020%0.201CC..  trans-86.1113.1-176.2174.90000111.5W511 H517 A518 Q519 E597W511-S515 WeakPolarHBondContact O-CB 3.42Å; W511-S515 PolarHBondContact O-N 2.81Å; S515-H517 VanDerWaalsContact C-N 3.28Å; S515-H517 PolarHBondContact O-N 3.17Å; S515-H517 PolarHBondContact OG-N 2.76Å; S515-A518 PolarHBondContact O-N 3.4Å; S515-A518 WeakPolarHBondContact OG-CB 3.26Å; S515-A518 PolarHBondContact OG-N 3.33Å; S515-A518 VanDerWaalsContact OG-N 3.07Å; S515-Q519 WeakPolarHBondContact O-CG 3.38Å; S515-Q519 PolarHBondContact O-N 3.03Å; S515-Q519 VanDerWaalsContact O-N 3.12Å; S515-E597 WeakPolarHBondContact CB-OE2 3.21Å; S515-E597 PolarHBondContact OG-OE1 3.22Å; S515-E597 PolarHBondContact OG-OE2 3.01Å
516S91.7Very high95.3Very high73 Ų7343.8 Ų43.851%0.5121%0.214SC..Hα-helixtrans-64.6-34.3174.261.30000111.9S514 K520S514-S516 PolarHBondContact O-N 3.44Å; S516-K520 VanDerWaalsContact O-CB 3.31Å; S516-K520 WeakPolarHBondContact O-CB 3.11Å; S516-K520 PolarHBondContact O-N 2.92Å
517H90.7Very high95.2Very high18 Ų1844.8 Ų44.88%0.08322%0.22CC..Hα-helixtrans-63.2-49.5174.7-90.991.6000111.7I407 S515 Q519 K520 K521 H593 Q594I407-H517 VanDerWaalsContact CD1-CE1 3.42Å; I407-H517 WeakPolarHBondContact CD1-CE1 3.32Å; S515-H517 VanDerWaalsContact C-N 3.28Å; S515-H517 PolarHBondContact O-N 3.17Å; S515-H517 PolarHBondContact OG-N 2.76Å; H517-Q519 PolarHBondContact O-N 3.14Å; H517-K520 PolarHBondContact O-N 2.81Å; H517-K521 WeakPolarHBondContact O-CG 3.36Å; H517-K521 PolarHBondContact O-N 3.17Å; H517-K521 VanDerWaalsContact O-N 3.07Å; H517-H593 AromaticContact ND1-CD2 3.84Å; H517-H593 AromaticContact ND1-NE2 3.96Å; H517-Q594 HydrophobicContact CB-CG 3.61Å
518A94.1Very high95.2Very high0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-61.7-45.4-17900000111.6W511 F512 S515 K520 K521 A522W511-A518 HydrophobicContact CH2-CB 3.63Å; W511-A518 HydrophobicContact CZ2-CB 3.58Å; W511-A518 HydrophobicContact CZ3-CB 4.23Å; F512-A518 HydrophobicContact CD2-CB 3.73Å; F512-A518 HydrophobicContact CE2-CB 3.97Å; S515-A518 PolarHBondContact O-N 3.4Å; S515-A518 WeakPolarHBondContact OG-CB 3.26Å; S515-A518 PolarHBondContact OG-N 3.33Å; S515-A518 VanDerWaalsContact OG-N 3.07Å; A518-K520 VanDerWaalsContact C-N 3.31Å; A518-K520 PolarHBondContact O-N 2.93Å; A518-K521 PolarHBondContact O-N 2.6Å; A518-A522 PolarHBondContact O-N 3.41Å
519Q93.9Very high95.1Very high100 Ų10044.8 Ų44.847%0.46722%0.22SC..Hα-helixtrans-66.2-31.1179.4-69.8176.3-8.800113.1F512 R513 S515 H517 A522F512-Q519 HydrophobicContact CE1-CG 4.39Å; F512-Q519 VanDerWaalsContact O-CG 3.27Å; F512-Q519 WeakPolarHBondContact O-CG 3.35Å; F512-Q519 PolarHBondContact O-NE2 2.94Å; R513-Q519 VanDerWaalsContact C-NE2 3.32Å; R513-Q519 PolarHBondContact O-NE2 2.89Å; S515-Q519 WeakPolarHBondContact O-CG 3.38Å; S515-Q519 PolarHBondContact O-N 3.03Å; S515-Q519 VanDerWaalsContact O-N 3.12Å; H517-Q519 PolarHBondContact O-N 3.14Å; Q519-A522 VanDerWaalsContact O-O 3.09Å
520K92.5Very high95.1Very high186 Ų18645 Ų4581%0.80922%0.221SC*.Hα-helixtrans-73.3-34.6174.9-172.5178.8178.3-174.50112.1S516 H517 A518S516-K520 VanDerWaalsContact O-CB 3.31Å; S516-K520 WeakPolarHBondContact O-CB 3.11Å; S516-K520 PolarHBondContact O-N 2.92Å; H517-K520 PolarHBondContact O-N 2.81Å; A518-K520 VanDerWaalsContact C-N 3.31Å; A518-K520 PolarHBondContact O-N 2.93Å
521K90.6Very high95.1Very high73 Ų7344.4 Ų44.432%0.31722%0.218SC..Hα-helixtrans-86.4-20.1-175.8-68.6-72.8-176.6170.70114.1H517 A518 E590H517-K521 WeakPolarHBondContact O-CG 3.36Å; H517-K521 PolarHBondContact O-N 3.17Å; H517-K521 VanDerWaalsContact O-N 3.07Å; A518-K521 PolarHBondContact O-N 2.6Å; K521-E590 WeakPolarHBondContact CE-OE2 3.38Å; K521-E590 IonicContact NZ-OE2 3.91Å; K521-E590 PolarHBondContact NZ-OE2 3.16Å
522A95.1Very high95.1Very high10 Ų1044.4 Ų44.48%0.08322%0.218CC..  trans-150.3147.3-173.500000112F512 A518 Q519 T527 S528F512-A522 HydrophobicContact CE2-CB 4.14Å; F512-A522 HydrophobicContact CZ-CB 4.35Å; F512-A522 WeakPolarHBondContact CZ-O 3.46Å; A518-A522 PolarHBondContact O-N 3.41Å; Q519-A522 VanDerWaalsContact O-O 3.09Å; A522-T527 WeakPolarHBondContact CB-O 3.33Å; A522-S528 VanDerWaalsContact CB-CA 3.5Å
523K93.6Very high95.2Very high207 Ų20743.5 Ų43.590%0.921%0.214SC*.SBendtrans-79.9-24.5176.9-66.8-176.6179.5178.40112.5T527K523-T527 PolarHBondContact N-OG1 3.02Å
524S95.4Very high95.3Very high38 Ų3840.1 Ų40.127%0.26620%0.202SC..SBendtrans-154.8167.3-177.568.20000110.1Q526 T527 S528S524-Q526 PolarHBondContact O-N 2.8Å; S524-T527 PolarHBondContact N-OG1 3.42Å; S524-T527 VanDerWaalsContact N-OG1 3.13Å; S524-T527 CarbonylContact O-C 3.44Å; S524-T527 PolarHBondContact O-N 2.68Å; S524-T527 PolarHBondContact O-OG1 2.94Å; S524-T527 PolarHBondContact OG-OG1 2.7Å; S524-S528 PolarHBondContact O-N 3.18Å; S524-S528 VanDerWaalsContact O-N 3.12Å
525L96.4Very high95.4Very high2 Ų237.9 Ų37.91%0.0119%0.186CC..G310 helixtrans-58.9-34.5174-85.6161.2000113L508 V509 W511 F512 T527 S528 F700 I703L508-L525 HydrophobicContact CB-CD1 3.97Å; L508-L525 HydrophobicContact CB-CD2 3.99Å; L508-L525 HydrophobicContact CD2-CD2 4.26Å; V509-L525 HydrophobicContact CG2-CD1 4.1Å; W511-L525 HydrophobicContact CE3-CD2 4.34Å; W511-L525 HydrophobicContact CZ3-CD2 4.09Å; F512-L525 HydrophobicContact CB-CD1 4.07Å; F512-L525 HydrophobicContact CB-CD2 3.91Å; F512-L525 HydrophobicContact CB-CG 3.82Å; F512-L525 HydrophobicContact CD1-CG 4.43Å; F512-L525 HydrophobicContact CD2-CD2 3.93Å; F512-L525 HydrophobicContact CD2-CG 3.96Å; F512-L525 HydrophobicContact CG-CD1 4.47Å; F512-L525 HydrophobicContact CG-CD2 4.11Å; F512-L525 HydrophobicContact CG-CG 3.81Å; L525-T527 PolarHBondContact O-N 3.4Å; L525-S528 WeakPolarHBondContact O-CB 3.43Å; L525-S528 PolarHBondContact O-N 3.35Å; L525-S528 VanDerWaalsContact O-N 3.12Å; L525-F700 HydrophobicContact CB-CE1 4.23Å; L525-I703 HydrophobicContact CB-CG2 4Å; L525-I703 HydrophobicContact CD1-CD1 4.27Å; L525-I703 HydrophobicContact CD1-CG1 4.43Å; L525-I703 HydrophobicContact CD1-CG2 3.47Å; L525-I703 VanDerWaalsContact CD1-CG2 3.47Å; L525-I703 HydrophobicContact CG-CG2 4.37Å
526Q95.6Very high95.5Very high59 Ų5937.9 Ų37.928%0.27619%0.186SC..G310 helixtrans-64.5-17.3175.8-67.8-176.811.200113.4S524 L532 F667 F700 D704S524-Q526 PolarHBondContact O-N 2.8Å; Q526-L532 WeakPolarHBondContact O-CD1 3.44Å; Q526-F667 HydrophobicContact CB-CD2 4.44Å; Q526-F667 HydrophobicContact CG-CD2 4.31Å; Q526-F700 HydrophobicContact CB-CD1 4.41Å; Q526-F700 HydrophobicContact CG-CD1 3.49Å; Q526-F700 VanDerWaalsContact CG-CD1 3.49Å; Q526-F700 HydrophobicContact CG-CE1 4.09Å; Q526-F700 HydrophobicContact CG-CG 4.32Å; Q526-D704 PolarHBondContact NE2-OD1 3.09Å; Q526-D704 PolarHBondContact NE2-OD2 3.49Å
527T96.5Very high95.8Very high21 Ų2135 Ų3513%0.12917%0.166CC..G310 helixtrans-110.2-1.1177.761.40000112.3A522 K523 S524 L525 P529 P663 R666A522-T527 WeakPolarHBondContact CB-O 3.33Å; K523-T527 PolarHBondContact N-OG1 3.02Å; S524-T527 PolarHBondContact N-OG1 3.42Å; S524-T527 VanDerWaalsContact N-OG1 3.13Å; S524-T527 CarbonylContact O-C 3.44Å; S524-T527 PolarHBondContact O-N 2.68Å; S524-T527 PolarHBondContact O-OG1 2.94Å; S524-T527 PolarHBondContact OG-OG1 2.7Å; L525-T527 PolarHBondContact O-N 3.4Å; T527-P529 WeakPolarHBondContact O-CD 3Å; T527-P663 HydrophobicContact CG2-CB 4.29Å; T527-P663 VanDerWaalsContact CG2-O 3.3Å; T527-P663 WeakPolarHBondContact CG2-O 3.45Å; T527-R666 VanDerWaalsContact O-CD 3.29Å; T527-R666 WeakPolarHBondContact O-CD 3.43Å; T527-R666 PolarHBondContact O-NH1 3.21Å
528S97.2Very high96.2Very high0 Ų034.2 Ų34.20%016%0.162CC..  trans-79.4116.8-178.81790000111.4A522 S524 L525 V530 G531 L532A522-S528 VanDerWaalsContact CB-CA 3.5Å; S524-S528 PolarHBondContact O-N 3.18Å; S524-S528 VanDerWaalsContact O-N 3.12Å; L525-S528 WeakPolarHBondContact O-CB 3.43Å; L525-S528 PolarHBondContact O-N 3.35Å; L525-S528 VanDerWaalsContact O-N 3.12Å; S528-V530 PolarHBondContact O-N 3.12Å; S528-G531 PolarHBondContact O-N 3.33Å; S528-G531 PolarHBondContact OG-N 3.43Å; S528-L532 VanDerWaalsContact O-CB 3.26Å; S528-L532 WeakPolarHBondContact O-CB 3.25Å; S528-L532 WeakPolarHBondContact O-CD1 3.04Å; S528-L532 WeakPolarHBondContact O-CG 3.29Å; S528-L532 PolarHBondContact O-N 3.1Å
529P97.3Very high96.3Very high4 Ų434.4 Ų34.43%0.02616%0.163CC..Hα-helixtrans-57.3-50178.2-25.435.9000112.6T527 A533 L658 Q659T527-P529 WeakPolarHBondContact O-CD 3Å; P529-A533 VanDerWaalsContact O-CB 3.29Å; P529-A533 WeakPolarHBondContact O-CB 3.38Å; P529-A533 PolarHBondContact O-N 2.7Å; P529-L658 HydrophobicContact CB-CB 3.91Å; P529-Q659 HydrophobicContact CB-CG 3.94Å; P529-Q659 HydrophobicContact CG-CG 3.76Å
530V97.6Very high96.4Very high3 Ų329.7 Ų29.72%0.01814%0.141CC..Hα-helixtrans-70.5-41.5-178.5179.60000111.3W511 S528 L532 A533 L534 D591 Q594 L598 S655W511-V530 HydrophobicContact CH2-CB 4.19Å; W511-V530 HydrophobicContact CH2-CG1 4.33Å; S528-V530 PolarHBondContact O-N 3.12Å; V530-L532 PolarHBondContact O-N 3.5Å; V530-A533 PolarHBondContact O-N 3.23Å; V530-L534 WeakPolarHBondContact O-CB 3.32Å; V530-L534 PolarHBondContact O-N 3.34Å; V530-D591 HydrophobicContact CG2-CB 4.47Å; V530-Q594 HydrophobicContact CB-CB 4.33Å; V530-Q594 HydrophobicContact CG1-CB 4.1Å; V530-Q594 HydrophobicContact CG2-CB 4.02Å; V530-L598 HydrophobicContact CG1-CD1 3.74Å; V530-S655 WeakPolarHBondContact CA-OG 3.46Å
531G97.8Very high96.6Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-61.3-45.5177.300000112.1S528 S535S528-G531 PolarHBondContact O-N 3.33Å; S528-G531 PolarHBondContact OG-N 3.43Å; G531-S535 WeakPolarHBondContact O-CB 3.15Å; G531-S535 PolarHBondContact O-N 2.95Å; G531-S535 PolarHBondContact O-OG 3.46Å
532L98.3Very high96.8Very high0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-65.1-44176.3-73168.7000112.3Q526 S528 V530 S535 C536 L658 R666 F667 V670 F696 F700Q526-L532 WeakPolarHBondContact O-CD1 3.44Å; S528-L532 VanDerWaalsContact O-CB 3.26Å; S528-L532 WeakPolarHBondContact O-CB 3.25Å; S528-L532 WeakPolarHBondContact O-CD1 3.04Å; S528-L532 WeakPolarHBondContact O-CG 3.29Å; S528-L532 PolarHBondContact O-N 3.1Å; V530-L532 PolarHBondContact O-N 3.5Å; L532-S535 PolarHBondContact O-N 3.42Å; L532-C536 PolarHBondContact O-N 2.75Å; L532-C536 PolarHBondContact O-SG 3.02Å; L532-C536 VanDerWaalsContact O-SG 3.38Å; L532-L658 HydrophobicContact CB-CD1 3.97Å; L532-L658 HydrophobicContact CD1-CD1 4.4Å; L532-R666 HydrophobicContact CD1-CB 3.58Å; L532-F667 HydrophobicContact CD2-CD2 3.96Å; L532-V670 HydrophobicContact CB-CG2 4.09Å; L532-V670 HydrophobicContact CD1-CG2 4.35Å; L532-F696 HydrophobicContact CD2-CZ 4.04Å; L532-F700 HydrophobicContact CD2-CE1 4.04Å; L532-F700 HydrophobicContact CD2-CE2 4.16Å; L532-F700 HydrophobicContact CD2-CZ 3.55Å; L532-F700 HydrophobicContact CG-CZ 4.45Å
533A98Very high96.7Very high0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-60.5-46.9177.800000111.6P529 V530 S535 C536 C537 L651 I654 S655P529-A533 VanDerWaalsContact O-CB 3.29Å; P529-A533 WeakPolarHBondContact O-CB 3.38Å; P529-A533 PolarHBondContact O-N 2.7Å; V530-A533 PolarHBondContact O-N 3.23Å; A533-S535 VanDerWaalsContact C-N 3.32Å; A533-S535 PolarHBondContact O-N 2.93Å; A533-C536 PolarHBondContact O-SG 3.17Å; A533-C537 VanDerWaalsContact O-CB 3.25Å; A533-C537 WeakPolarHBondContact O-CB 2.9Å; A533-C537 PolarHBondContact O-N 3.16Å; A533-C537 PolarHBondContact O-SG 2.85Å; A533-C537 VanDerWaalsContact O-SG 3.33Å; A533-L651 HydrophobicContact CB-CD2 4.32Å; A533-L651 WeakPolarHBondContact O-CD2 3.32Å; A533-I654 HydrophobicContact CB-CB 4.1Å; A533-I654 HydrophobicContact CB-CG2 3.72Å; A533-S655 WeakPolarHBondContact CB-OG 3.24Å
534L98.4Very high96.6Very high1 Ų19.6 Ų9.61%0.0056%0.055CC..Hα-helixtrans-60.7-44.2176.1-178.764.4000111.4L508 V530 T538 L598 L644 F645 L651L508-L534 HydrophobicContact CD2-CD2 4.12Å; V530-L534 WeakPolarHBondContact O-CB 3.32Å; V530-L534 PolarHBondContact O-N 3.34Å; L534-T538 VanDerWaalsContact O-CB 3.3Å; L534-T538 WeakPolarHBondContact O-CB 3.49Å; L534-T538 PolarHBondContact O-N 3.17Å; L534-T538 PolarHBondContact O-OG1 3.14Å; L534-L598 HydrophobicContact CD2-CB 4.38Å; L534-L598 HydrophobicContact CD2-CD1 3.83Å; L534-L598 HydrophobicContact CD2-CD2 3.86Å; L534-L598 HydrophobicContact CD2-CG 4.24Å; L534-L644 WeakPolarHBondContact CD1-O 3.33Å; L534-F645 HydrophobicContact CD1-CD1 3.92Å; L534-F645 HydrophobicContact CD1-CE1 3.79Å; L534-F645 HydrophobicContact CD2-CE1 4.13Å; L534-L651 HydrophobicContact CB-CD2 4.37Å; L534-L651 HydrophobicContact CD1-CD1 4.24Å; L534-L651 HydrophobicContact CD1-CD2 4.33Å
535S98.3Very high96.3Very high0 Ų08.9 Ų8.90%05%0.05CC..Hα-helixtrans-62.1-49.5-177.9-60.60000111.9L508 G531 L532 A533 I539L508-S535 VanDerWaalsContact CD1-OG 3.26Å; L508-S535 WeakPolarHBondContact CD1-OG 3.36Å; G531-S535 WeakPolarHBondContact O-CB 3.15Å; G531-S535 PolarHBondContact O-N 2.95Å; G531-S535 PolarHBondContact O-OG 3.46Å; L532-S535 PolarHBondContact O-N 3.42Å; A533-S535 VanDerWaalsContact C-N 3.32Å; A533-S535 PolarHBondContact O-N 2.93Å; S535-I539 WeakPolarHBondContact O-CG1 3.21Å; S535-I539 PolarHBondContact O-N 3.47Å; S535-I539 VanDerWaalsContact O-N 3.14Å
536C97.5Very high95.8Very high0 Ų012.7 Ų12.70%07%0.067CC..Hα-helixtrans-71.1-40.7-177.470.80000112.1L532 A533 T538 I539 A540 V670 L675 L678 F696L532-C536 PolarHBondContact O-N 2.75Å; L532-C536 PolarHBondContact O-SG 3.02Å; L532-C536 VanDerWaalsContact O-SG 3.38Å; A533-C536 PolarHBondContact O-SG 3.17Å; C536-T538 PolarHBondContact O-N 3.24Å; C536-I539 PolarHBondContact O-N 3.45Å; C536-A540 VanDerWaalsContact O-CB 3.24Å; C536-A540 WeakPolarHBondContact O-CB 3.47Å; C536-A540 PolarHBondContact O-N 2.76Å; C536-V670 HydrophobicContact CB-CG1 3.38Å; C536-L675 HydrophobicContact CB-CD1 4.11Å; C536-L678 HydrophobicContact CB-CD1 4.39Å; C536-F696 HydrophobicContact CB-CD2 4.28Å; C536-F696 HydrophobicContact CB-CE2 3.77Å
537C97.9Very high95.1Very high14 Ų1411.4 Ų11.410%0.0956%0.061CC..Hα-helixtrans-61.6-43.5175.4-75.10000111.6A533 M541 L651A533-C537 VanDerWaalsContact O-CB 3.25Å; A533-C537 WeakPolarHBondContact O-CB 2.9Å; A533-C537 PolarHBondContact O-N 3.16Å; A533-C537 PolarHBondContact O-SG 2.85Å; A533-C537 VanDerWaalsContact O-SG 3.33Å; C537-M541 WeakPolarHBondContact O-CB 3.16Å; C537-M541 PolarHBondContact O-N 3.46Å; C537-L651 HydrophobicContact CB-CD2 3.68Å
538T97.8Very high94.1Very high0 Ų011 Ų110%06%0.058CC..Hα-helixtrans-63.3-49.4179.4-59.10000111.5L504 L534 C536 M541 N542 Y639 L644L504-T538 HydrophobicContact CD2-CG2 4.03Å; L534-T538 VanDerWaalsContact O-CB 3.3Å; L534-T538 WeakPolarHBondContact O-CB 3.49Å; L534-T538 PolarHBondContact O-N 3.17Å; L534-T538 PolarHBondContact O-OG1 3.14Å; C536-T538 PolarHBondContact O-N 3.24Å; T538-M541 PolarHBondContact O-N 3.07Å; T538-N542 PolarHBondContact O-N 2.93Å; T538-Y639 HydrophobicContact CG2-CD2 3.6Å; T538-Y639 HydrophobicContact CG2-CE2 3.95Å; T538-Y639 HydrophobicContact CG2-CG 3.99Å; T538-L644 HydrophobicContact CG2-CD2 3.6Å; T538-L644 HydrophobicContact CG2-CG 4.45Å
539I97.4Very high92.7Very high5 Ų514.5 Ų14.53%0.0268%0.082CC..Hα-helixtrans-65.2-43.6-178.3-68.2-179000110.8S535 C536 M541 N542 S543 V692 D695 F696 L699S535-I539 WeakPolarHBondContact O-CG1 3.21Å; S535-I539 PolarHBondContact O-N 3.47Å; S535-I539 VanDerWaalsContact O-N 3.14Å; C536-I539 PolarHBondContact O-N 3.45Å; I539-M541 VanDerWaalsContact C-N 3.32Å; I539-M541 PolarHBondContact O-N 3.36Å; I539-N542 PolarHBondContact O-N 2.58Å; I539-S543 WeakPolarHBondContact O-CB 3.42Å; I539-S543 PolarHBondContact O-N 3.16Å; I539-S543 VanDerWaalsContact O-N 3.09Å; I539-V692 HydrophobicContact CG2-CB 3.91Å; I539-V692 HydrophobicContact CG2-CG1 4.23Å; I539-D695 HydrophobicContact CD1-CB 4.49Å; I539-D695 HydrophobicContact CG2-CB 4.21Å; I539-F696 VanDerWaalsContact CD1-CA 3.46Å; I539-F696 HydrophobicContact CD1-CB 3.98Å; I539-F696 HydrophobicContact CD1-CD2 4.05Å; I539-F696 HydrophobicContact CD1-CG 4.48Å; I539-L699 HydrophobicContact CD1-CB 4.37Å; I539-L699 HydrophobicContact CD1-CD2 4.05Å
540A96Very high91.3Very high1 Ų122.2 Ų22.21%0.00811%0.11CC..Hα-helixtrans-62.2-40.7174.700000111.9C536 S543 N544 L675 L678 L679C536-A540 VanDerWaalsContact O-CB 3.24Å; C536-A540 WeakPolarHBondContact O-CB 3.47Å; C536-A540 PolarHBondContact O-N 2.76Å; A540-S543 PolarHBondContact O-N 2.88Å; A540-N544 WeakPolarHBondContact O-CB 3.39Å; A540-N544 VanDerWaalsContact O-CG 3.3Å; A540-N544 PolarHBondContact O-N 3.38Å; A540-N544 PolarHBondContact O-ND2 2.91Å; A540-L675 HydrophobicContact CB-CD1 4.09Å; A540-L678 HydrophobicContact CB-CB 3.45Å; A540-L678 VanDerWaalsContact CB-CB 3.45Å; A540-L678 HydrophobicContact CB-CD1 4.13Å; A540-L678 HydrophobicContact CB-CG 4.43Å; A540-L679 HydrophobicContact CB-CD2 4.09Å
541M95.2Very high89.5Confident3 Ų326.2 Ų26.22%0.01513%0.132CC..Hα-helixtrans-65.8-45.7179.7-172.365-165.900111.8L53 C537 T538 I539 S543 N544 C545 I564 L568 W642 M643 A646L53-M541 HydrophobicContact CD1-CE 3.69Å; L53-M541 HydrophobicContact CD2-CE 3.68Å; L53-M541 HydrophobicContact CD2-SD 4.33Å; L53-M541 HydrophobicContact CG-CE 4.29Å; C537-M541 WeakPolarHBondContact O-CB 3.16Å; C537-M541 PolarHBondContact O-N 3.46Å; T538-M541 PolarHBondContact O-N 3.07Å; I539-M541 VanDerWaalsContact C-N 3.32Å; I539-M541 PolarHBondContact O-N 3.36Å; M541-S543 VanDerWaalsContact C-N 3.29Å; M541-S543 PolarHBondContact O-N 3.35Å; M541-N544 PolarHBondContact O-N 2.97Å; M541-N544 VanDerWaalsContact O-N 3.1Å; M541-C545 PolarHBondContact O-N 3.11Å; M541-I564 HydrophobicContact CE-CD1 4.41Å; M541-I564 HydrophobicContact CE-CG2 3.61Å; M541-I564 HydrophobicContact SD-CG2 3.55Å; M541-I564 VanDerWaalsContact SD-CG2 3.55Å; M541-L568 HydrophobicContact SD-CD1 3.87Å; M541-W642 HydrophobicContact CE-CE3 4.46Å; M541-W642 HydrophobicContact CE-CZ3 3.77Å; M541-M643 HydrophobicContact CB-CG 3.99Å; M541-M643 HydrophobicContact CG-CB 4.44Å; M541-M643 HydrophobicContact CG-CG 3.52Å; M541-A646 HydrophobicContact CG-CB 4.24Å; M541-A646 HydrophobicContact SD-CB 4.19Å
542N94.6Very high87.5Confident46 Ų4631.8 Ų31.825%0.24615%0.153CC..Hα-helixtrans-56.5-47.1174.5-178.864.7000111T538 I539 N544 C545 E546 Y639 M643T538-N542 PolarHBondContact O-N 2.93Å; I539-N542 PolarHBondContact O-N 2.58Å; N542-N544 VanDerWaalsContact C-N 3.34Å; N542-N544 PolarHBondContact O-N 3.16Å; N542-C545 PolarHBondContact O-N 2.9Å; N542-E546 PolarHBondContact O-N 3.09Å; N542-Y639 HydrophobicContact CB-CD1 4.32Å; N542-Y639 HydrophobicContact CB-CE1 3.78Å; N542-Y639 VanDerWaalsContact CG-CE1 3.49Å; N542-Y639 WeakPolarHBondContact OD1-CE1 3.37Å; N542-M643 HydrophobicContact CB-SD 3.81Å
543S93.4Very high85.3Confident5 Ų539 Ų394%0.03519%0.191CC..Hα-helixtrans-63-38.4175.9-173.60000112.4I539 A540 M541 E546 F547 R688 V692I539-S543 WeakPolarHBondContact O-CB 3.42Å; I539-S543 PolarHBondContact O-N 3.16Å; I539-S543 VanDerWaalsContact O-N 3.09Å; A540-S543 PolarHBondContact O-N 2.88Å; M541-S543 VanDerWaalsContact C-N 3.29Å; M541-S543 PolarHBondContact O-N 3.35Å; S543-E546 PolarHBondContact O-N 3.26Å; S543-F547 VanDerWaalsContact O-CD2 3.3Å; S543-F547 WeakPolarHBondContact O-CD2 3.47Å; S543-F547 PolarHBondContact O-N 3.09Å; S543-F547 VanDerWaalsContact O-N 3.12Å; S543-R688 PolarHBondContact O-NE 3.18Å; S543-R688 PolarHBondContact O-NH2 2.86Å; S543-R688 WeakPolarHBondContact OG-CG 3.36Å; S543-R688 PolarHBondContact OG-NE 2.94Å; S543-R688 PolarHBondContact OG-NH2 2.96Å; S543-V692 WeakPolarHBondContact OG-CG1 3.33Å
544N92.5Very high82.9Confident0 Ų045.9 Ų45.90%023%0.234CC..Hα-helixtrans-63.3-44.2177.6-79.9-36.8000110.2A540 M541 N542 V548 I564 L678 I680 R688A540-N544 WeakPolarHBondContact O-CB 3.39Å; A540-N544 VanDerWaalsContact O-CG 3.3Å; A540-N544 PolarHBondContact O-N 3.38Å; A540-N544 PolarHBondContact O-ND2 2.91Å; M541-N544 PolarHBondContact O-N 2.97Å; M541-N544 VanDerWaalsContact O-N 3.1Å; N542-N544 VanDerWaalsContact C-N 3.34Å; N542-N544 PolarHBondContact O-N 3.16Å; N544-V548 WeakPolarHBondContact O-CB 3.45Å; N544-V548 WeakPolarHBondContact O-CG2 3.13Å; N544-V548 PolarHBondContact O-N 2.9Å; N544-I564 HydrophobicContact CB-CD1 4.29Å; N544-I564 HydrophobicContact CB-CG1 4.33Å; N544-I564 HydrophobicContact CB-CG2 4.27Å; N544-L678 PolarHBondContact ND2-O 3.04Å; N544-I680 HydrophobicContact CB-CD1 4.26Å; N544-I680 WeakPolarHBondContact OD1-CG1 3.29Å; N544-I680 PolarHBondContact OD1-N 3.08Å; N544-R688 VanDerWaalsContact CG-NH2 3.32Å; N544-R688 PolarHBondContact OD1-NH1 2.98Å; N544-R688 PolarHBondContact OD1-NH2 3.35Å
545C89.4Confident80.4Confident23 Ų2350.8 Ų50.816%0.15528%0.275CS..Hα-helixtrans-61.8-46.1176-71.70000112.3M541 N542 F547 C549 M643M541-C545 PolarHBondContact O-N 3.11Å; N542-C545 PolarHBondContact O-N 2.9Å; C545-F547 PolarHBondContact O-N 3.27Å; C545-C549 VanDerWaalsContact O-CB 3.3Å; C545-C549 WeakPolarHBondContact O-CB 3.22Å; C545-C549 PolarHBondContact O-N 2.94Å; C545-C549 PolarHBondContact O-SG 2.93Å; C545-M643 HydrophobicContact CB-CE 4.25Å
546E85.9Confident78.2Confident82 Ų8252.2 Ų52.238%0.38329%0.286SS..Hα-helixtrans-63-44.7-177.3-172.2-176.5171.900112.3N542 S543 R550N542-E546 PolarHBondContact O-N 3.09Å; S543-E546 PolarHBondContact O-N 3.26Å; E546-R550 WeakPolarHBondContact O-CG 3.39Å; E546-R550 IonicContact OE1-CZ 3.26Å; E546-R550 VanDerWaalsContact OE1-CZ 3.26Å; E546-R550 IonicContact OE1-NH1 3.27Å; E546-R550 PolarHBondContact OE1-NH1 2.96Å; E546-R550 IonicContact OE1-NH2 2.68Å; E546-R550 PolarHBondContact OE1-NH2 3.38Å
547F80.4Confident75.9Confident32 Ų3255.5 Ų55.514%0.1431%0.313CS..Hα-helixtrans-84.8-39-173.8-77.7-96.9000113.3S543 C545 C549 R550 D551 S684 R688S543-F547 VanDerWaalsContact O-CD2 3.3Å; S543-F547 WeakPolarHBondContact O-CD2 3.47Å; S543-F547 PolarHBondContact O-N 3.09Å; S543-F547 VanDerWaalsContact O-N 3.12Å; C545-F547 PolarHBondContact O-N 3.27Å; F547-C549 PolarHBondContact O-N 3.42Å; F547-R550 PolarHBondContact O-N 3.48Å; F547-D551 PolarHBondContact O-N 2.92Å; F547-S684 WeakPolarHBondContact CD1-OG 3.19Å; F547-S684 WeakPolarHBondContact CE1-OG 3.13Å; F547-R688 HydrophobicContact CD2-CG 4.03Å; F547-R688 HydrophobicContact CE1-CB 4.39Å; F547-R688 HydrophobicContact CE1-CG 4.42Å; F547-R688 HydrophobicContact CE2-CG 3.87Å; F547-R688 HydrophobicContact CG-CG 4.36Å; F547-R688 HydrophobicContact CZ-CB 4.24Å; F547-R688 HydrophobicContact CZ-CG 4.07Å
548V75.7Confident73.9Confident11 Ų1157.4 Ų57.47%0.06734%0.335CS..Hα-helixtrans-66-31.6179.6173.70000111.3N544 R550 H560 I564 I680N544-V548 WeakPolarHBondContact O-CB 3.45Å; N544-V548 WeakPolarHBondContact O-CG2 3.13Å; N544-V548 PolarHBondContact O-N 2.9Å; V548-R550 VanDerWaalsContact C-N 3.33Å; V548-H560 HydrophobicContact CG1-CB 3.88Å; V548-H560 WeakPolarHBondContact CG1-ND1 3.45Å; V548-H560 PolarHBondContact O-CE1 3.17Å; V548-H560 PolarHBondContact O-ND1 3.17Å; V548-I564 HydrophobicContact CB-CD1 4.4Å; V548-I564 HydrophobicContact CG1-CG1 4.49Å; V548-I564 HydrophobicContact CG2-CG1 4.3Å; V548-I680 HydrophobicContact CG2-CB 4.46Å; V548-I680 HydrophobicContact CG2-CD1 3.9Å; V548-I680 HydrophobicContact CG2-CG2 4.45Å
549C68.1Low72.5Confident74 Ų7460.7 Ų60.750%0.535%0.353SS..THydrogen-bonded Turntrans-72.4-22.1173.4-68.70000113.6C545 F547C545-C549 VanDerWaalsContact O-CB 3.3Å; C545-C549 WeakPolarHBondContact O-CB 3.22Å; C545-C549 PolarHBondContact O-N 2.94Å; C545-C549 PolarHBondContact O-SG 2.93Å; F547-C549 PolarHBondContact O-N 3.42Å
550R67Low71.7Confident166 Ų16661 Ų6163%0.62635%0.354SS*.THydrogen-bonded Turntrans-81.3-33.1176-75177.3-179.6159.19.2112.8E546 F547 V548E546-R550 WeakPolarHBondContact O-CG 3.39Å; E546-R550 IonicContact OE1-CZ 3.26Å; E546-R550 VanDerWaalsContact OE1-CZ 3.26Å; E546-R550 IonicContact OE1-NH1 3.27Å; E546-R550 PolarHBondContact OE1-NH1 2.96Å; E546-R550 IonicContact OE1-NH2 2.68Å; E546-R550 PolarHBondContact OE1-NH2 3.38Å; F547-R550 PolarHBondContact O-N 3.48Å; V548-R550 VanDerWaalsContact C-N 3.33Å
551D59.6Low71.2Confident88 Ų8861.9 Ų61.947%0.47136%0.359SS..SBendtrans-83.1-9.5-171.7-91.8-9.8000114.9F547 T682F547-D551 PolarHBondContact O-N 2.92Å; D551-T682 WeakPolarHBondContact OD2-CB 3.28Å; D551-T682 WeakPolarHBondContact OD2-CG2 3.48Å
552R55.7Low70.9Confident117 Ų11764.1 Ų64.144%0.44238%0.375SS..SBendtrans-129.2135.2174.3-42.2-174.1177.5-165-2.1111.9D559R552-D559 IonicContact CZ-OD2 3.01Å; R552-D559 IonicContact NH1-OD1 3.66Å; R552-D559 IonicContact NH1-OD2 3.03Å; R552-D559 PolarHBondContact NH1-OD2 2.84Å
553D52Low70.6Confident150 Ų15063.7 Ų63.780%0.80238%0.376SS*.  trans-52.2142.4176.1-71.7-42.2000112A555 A556D553-A555 PolarHBondContact O-N 2.84Å; D553-A556 PolarHBondContact O-N 3Å
554T48.5Very low70.6Confident145 Ų14563.6 Ų63.689%0.8938%0.375SS*.G310 helixtrans-55.9-4.2-160.746.70000117.6A556T554-A556 PolarHBondContact O-N 2.92Å
555A45.4Very low70.7Confident105 Ų10568.2 Ų68.287%0.86839%0.392SS*.G310 helixtrans-80-11.1-179.600000114.3D553D553-A555 PolarHBondContact O-N 2.84Å
556A52.8Low70.9Confident29 Ų2969.9 Ų69.924%0.2440%0.402CS..G310 helixtrans-109.430.3-168.200000115.2D553 T554 G558 D559 H560D553-A556 PolarHBondContact O-N 3Å; T554-A556 PolarHBondContact O-N 2.92Å; A556-G558 PolarHBondContact O-N 2.67Å; A556-D559 HydrophobicContact CB-CB 3.94Å; A556-D559 WeakPolarHBondContact O-CA 3.34Å; A556-D559 VanDerWaalsContact O-CB 3.32Å; A556-D559 WeakPolarHBondContact O-CB 3.31Å; A556-D559 PolarHBondContact O-N 2.81Å; A556-H560 PolarHBondContact O-N 3.34Å
557A49.7Very low71.3Confident69 Ų6968 Ų6857%0.5739%0.393SS*.Hα-helixtrans-50.4-34.5-177.200000114.5
558G55.6Low72.1Confident54 Ų5467 Ų6756%0.55739%0.389SS*.Hα-helixtrans-72.5-26.1175.400000115A556A556-G558 PolarHBondContact O-N 2.67Å
559D67.2Low73Confident69 Ų6968.5 Ų68.537%0.36940%0.397SS..Hα-helixtrans-75.8-31.2-177.8-164.817.8000111.8R552 A556 S562 S563R552-D559 IonicContact CZ-OD2 3.01Å; R552-D559 IonicContact NH1-OD1 3.66Å; R552-D559 IonicContact NH1-OD2 3.03Å; R552-D559 PolarHBondContact NH1-OD2 2.84Å; A556-D559 HydrophobicContact CB-CB 3.94Å; A556-D559 WeakPolarHBondContact O-CA 3.34Å; A556-D559 VanDerWaalsContact O-CB 3.32Å; A556-D559 WeakPolarHBondContact O-CB 3.31Å; A556-D559 PolarHBondContact O-N 2.81Å; D559-S562 PolarHBondContact O-N 2.62Å; D559-S563 WeakPolarHBondContact O-CB 3.4Å; D559-S563 PolarHBondContact O-N 3.35Å; D559-S563 PolarHBondContact O-OG 2.69Å
560H81.4Confident74.4Confident13 Ų1371.4 Ų71.46%0.0640%0.401CS..Hα-helixtrans-63.8-48.5176.9-57.1-53000112.5V548 A556 S562 S563 I564V548-H560 HydrophobicContact CG1-CB 3.88Å; V548-H560 WeakPolarHBondContact CG1-ND1 3.45Å; V548-H560 PolarHBondContact O-CE1 3.17Å; V548-H560 PolarHBondContact O-ND1 3.17Å; A556-H560 PolarHBondContact O-N 3.34Å; H560-S562 VanDerWaalsContact C-N 3.3Å; H560-S562 PolarHBondContact O-N 3Å; H560-S563 PolarHBondContact O-N 3.27Å; H560-I564 VanDerWaalsContact O-CG1 3.3Å; H560-I564 WeakPolarHBondContact O-CG1 3.49Å; H560-I564 PolarHBondContact O-N 2.84Å
561V86.3Confident75.8Confident18 Ų1864 Ų6411%0.10937%0.374CS..Hα-helixtrans-60.7-42.8179.3174.30000110.5L53 R565L53-V561 HydrophobicContact CD1-CG1 3.87Å; L53-V561 HydrophobicContact CG-CG1 4.32Å; V561-R565 VanDerWaalsContact O-CB 3.26Å; V561-R565 WeakPolarHBondContact O-CB 3.44Å; V561-R565 PolarHBondContact O-N 3.09Å
562S87.9Confident77.5Confident50 Ų5059.8 Ų59.835%0.3535%0.352SS..Hα-helixtrans-62.2-47.8176.8-172.20000111.7D559 H560 I564 R565 T566D559-S562 PolarHBondContact O-N 2.62Å; H560-S562 VanDerWaalsContact C-N 3.3Å; H560-S562 PolarHBondContact O-N 3Å; S562-I564 PolarHBondContact O-N 3.49Å; S562-R565 PolarHBondContact O-N 3.13Å; S562-T566 PolarHBondContact O-N 2.96Å; S562-T566 PolarHBondContact O-OG1 3.14Å
563S89.1Confident79.4Confident37 Ų3758.1 Ų58.126%0.25935%0.352SS..Hα-helixtrans-60.3-45.8179.2-65.70000112.1D559 H560 T566 H567D559-S563 WeakPolarHBondContact O-CB 3.4Å; D559-S563 PolarHBondContact O-N 3.35Å; D559-S563 PolarHBondContact O-OG 2.69Å; H560-S563 PolarHBondContact O-N 3.27Å; S563-T566 PolarHBondContact O-N 3.06Å; S563-H567 PolarHBondContact O-N 3.14Å; S563-H567 VanDerWaalsContact O-N 3.09Å
564I93.3Very high81.4Confident4 Ų453.7 Ų53.72%0.02133%0.332CS..Hα-helixtrans-65.2-45178-61.2165.5000110.6L53 M541 N544 V548 H560 S562 T566 H567 L568 I680L53-I564 HydrophobicContact CD2-CB 4.34Å; L53-I564 HydrophobicContact CD2-CG2 3.91Å; M541-I564 HydrophobicContact CE-CD1 4.41Å; M541-I564 HydrophobicContact CE-CG2 3.61Å; M541-I564 HydrophobicContact SD-CG2 3.55Å; M541-I564 VanDerWaalsContact SD-CG2 3.55Å; N544-I564 HydrophobicContact CB-CD1 4.29Å; N544-I564 HydrophobicContact CB-CG1 4.33Å; N544-I564 HydrophobicContact CB-CG2 4.27Å; V548-I564 HydrophobicContact CB-CD1 4.4Å; V548-I564 HydrophobicContact CG1-CG1 4.49Å; V548-I564 HydrophobicContact CG2-CG1 4.3Å; H560-I564 VanDerWaalsContact O-CG1 3.3Å; H560-I564 WeakPolarHBondContact O-CG1 3.49Å; H560-I564 PolarHBondContact O-N 2.84Å; S562-I564 PolarHBondContact O-N 3.49Å; I564-T566 PolarHBondContact O-N 2.98Å; I564-H567 WeakPolarHBondContact O-CB 3.36Å; I564-H567 PolarHBondContact O-N 2.79Å; I564-H567 VanDerWaalsContact O-N 3.11Å; I564-L568 HydrophobicContact CG2-CD1 4.36Å; I564-L568 HydrophobicContact CG2-CG 4.23Å; I564-L568 WeakPolarHBondContact O-CG 3.24Å; I564-L568 PolarHBondContact O-N 3.38Å; I564-I680 HydrophobicContact CB-CD1 4.06Å; I564-I680 HydrophobicContact CG1-CD1 3.57Å; I564-I680 HydrophobicContact CG2-CD1 4.28Å
565R93.4Very high83.6Confident96 Ų9646.8 Ų46.836%0.36229%0.29SS..Hα-helixtrans-55.9-49.9176.3-176.5-173.173.3105.5-5.2111.8L53 A54 V561 S562 H567 L568 D569L53-R565 HydrophobicContact CD2-CB 4.05Å; L53-R565 HydrophobicContact CG-CB 4.39Å; A54-R565 HydrophobicContact CB-CG 4.47Å; V561-R565 VanDerWaalsContact O-CB 3.26Å; V561-R565 WeakPolarHBondContact O-CB 3.44Å; V561-R565 PolarHBondContact O-N 3.09Å; S562-R565 PolarHBondContact O-N 3.13Å; R565-H567 PolarHBondContact O-N 3.03Å; R565-L568 PolarHBondContact O-N 2.99Å; R565-D569 IonicContact NH1-OD2 3.56Å; R565-D569 PolarHBondContact O-N 3.34Å
566T94.1Very high85.8Confident58 Ų5843.2 Ų43.236%0.35626%0.255SS..Hα-helixtrans-59.5-36.2177.8-64.70000112.2S562 S563 I564 K570S562-T566 PolarHBondContact O-N 2.96Å; S562-T566 PolarHBondContact O-OG1 3.14Å; S563-T566 PolarHBondContact O-N 3.06Å; I564-T566 PolarHBondContact O-N 2.98Å; T566-K570 WeakPolarHBondContact O-CG 3.43Å; T566-K570 PolarHBondContact O-N 3.17Å
567H94.9Very high87.7Confident43 Ų4344.8 Ų44.820%0.19927%0.265CS..Hα-helixtrans-66.4-48.8174.3-175.173.1000112.1S563 I564 R565 D569 K570 C571 K677 L678 L679 I680S563-H567 PolarHBondContact O-N 3.14Å; S563-H567 VanDerWaalsContact O-N 3.09Å; I564-H567 WeakPolarHBondContact O-CB 3.36Å; I564-H567 PolarHBondContact O-N 2.79Å; I564-H567 VanDerWaalsContact O-N 3.11Å; R565-H567 PolarHBondContact O-N 3.03Å; H567-D569 VanDerWaalsContact C-N 3.27Å; H567-D569 PolarHBondContact O-N 2.89Å; H567-K570 WeakPolarHBondContact O-CB 3.47Å; H567-K570 PolarHBondContact O-N 2.89Å; H567-K570 VanDerWaalsContact O-N 3.14Å; H567-C571 PolarHBondContact O-N 2.92Å; H567-C571 PolarHBondContact O-SG 2.98Å; H567-C571 VanDerWaalsContact O-SG 3.38Å; H567-K677 PolarHBondContact NE2-O 3.48Å; H567-L678 PolarHBondContact CD2-O 2.88Å; H567-L678 PolarHBondContact NE2-O 3Å; H567-L679 PolarHBondContact NE2-O 3.32Å; H567-I680 HydrophobicContact CB-CD1 4.07Å; H567-I680 HydrophobicContact CB-CG1 3.74Å; H567-I680 VanDerWaalsContact CG-CG1 3.49Å
568L95.8Very high89.7Confident10 Ų1044.5 Ų44.55%0.05226%0.255CS..Hα-helixtrans-61.2-37.5178.1-63.5-171.1000112.2L53 M541 I564 R565 K570 C571 A572 A646 L650L53-L568 HydrophobicContact CD2-CD1 3.8Å; M541-L568 HydrophobicContact SD-CD1 3.87Å; I564-L568 HydrophobicContact CG2-CD1 4.36Å; I564-L568 HydrophobicContact CG2-CG 4.23Å; I564-L568 WeakPolarHBondContact O-CG 3.24Å; I564-L568 PolarHBondContact O-N 3.38Å; R565-L568 PolarHBondContact O-N 2.99Å; L568-K570 PolarHBondContact O-N 3.5Å; L568-C571 WeakPolarHBondContact O-CB 3.34Å; L568-C571 PolarHBondContact O-N 3.39Å; L568-A572 PolarHBondContact O-N 2.77Å; L568-A646 HydrophobicContact CD1-CB 3.92Å; L568-L650 HydrophobicContact CB-CD2 4.15Å; L568-L650 HydrophobicContact CD2-CD2 3.83Å; L568-L650 HydrophobicContact CG-CD2 4.39Å
569D95.5Very high91.4Very high43 Ų4342.3 Ų42.323%0.2323%0.23CC..Hα-helixtrans-61-44.2175.1-83.6-36.9000111.8R565 H567 A572 D573 R649R565-D569 IonicContact NH1-OD2 3.56Å; R565-D569 PolarHBondContact O-N 3.34Å; H567-D569 VanDerWaalsContact C-N 3.27Å; H567-D569 PolarHBondContact O-N 2.89Å; D569-A572 PolarHBondContact O-N 3.38Å; D569-D573 VanDerWaalsContact O-CG 3.27Å; D569-D573 PolarHBondContact O-N 2.93Å; D569-R649 VanDerWaalsContact CA-NH2 3.32Å; D569-R649 PolarHBondContact O-NH2 2.96Å; D569-R649 VanDerWaalsContact O-NH2 3.1Å; D569-R649 IonicContact OD1-CZ 3.59Å; D569-R649 IonicContact OD1-NE 3.25Å; D569-R649 IonicContact OD1-NH2 3.87Å; D569-R649 PolarHBondContact OD1-NH2 2.98Å
570K96.7Very high92.5Very high135 Ų13542.3 Ų42.359%0.58723%0.226SC*.Hα-helixtrans-63.6-39.9174.4-71.2172.4-178.3179.10112T566 H567 L568 A572 D573 S574T566-K570 WeakPolarHBondContact O-CG 3.43Å; T566-K570 PolarHBondContact O-N 3.17Å; H567-K570 WeakPolarHBondContact O-CB 3.47Å; H567-K570 PolarHBondContact O-N 2.89Å; H567-K570 VanDerWaalsContact O-N 3.14Å; L568-K570 PolarHBondContact O-N 3.5Å; K570-A572 VanDerWaalsContact C-N 3.32Å; K570-D573 PolarHBondContact O-N 3.02Å; K570-S574 WeakPolarHBondContact O-CB 3.35Å; K570-S574 PolarHBondContact O-N 3.32Å
571C96.8Very high92.9Very high10 Ų1049 Ų497%0.06826%0.257CS..Hα-helixtrans-62.2-41.1174.8-67.40000111.4H567 L568 S574 A575 L650 K677 L678H567-C571 PolarHBondContact O-N 2.92Å; H567-C571 PolarHBondContact O-SG 2.98Å; H567-C571 VanDerWaalsContact O-SG 3.38Å; L568-C571 WeakPolarHBondContact O-CB 3.34Å; L568-C571 PolarHBondContact O-N 3.39Å; C571-S574 PolarHBondContact O-N 2.83Å; C571-A575 WeakPolarHBondContact O-CB 3.3Å; C571-A575 PolarHBondContact O-N 2.87Å; C571-L650 HydrophobicContact CB-CD1 3.73Å; C571-K677 PolarHBondContact SG-O 3.37Å; C571-L678 HydrophobicContact CB-CD2 4.04Å
572A95.4Very high92.8Very high0 Ų051.2 Ų51.20%028%0.283CS..Hα-helixtrans-66.6-41.6178.100000111.5L568 D569 K570 S574 A575 K576 R649 L650L568-A572 PolarHBondContact O-N 2.77Å; D569-A572 PolarHBondContact O-N 3.38Å; K570-A572 VanDerWaalsContact C-N 3.32Å; A572-S574 VanDerWaalsContact C-N 3.35Å; A572-A575 PolarHBondContact O-N 3.16Å; A572-K576 VanDerWaalsContact O-CB 3.31Å; A572-K576 WeakPolarHBondContact O-CB 3.32Å; A572-K576 PolarHBondContact O-N 3.07Å; A572-R649 HydrophobicContact CB-CG 4.34Å; A572-L650 HydrophobicContact CB-CB 4.02Å; A572-L650 HydrophobicContact CB-CD1 3.99Å
573D94.8Very high92.7Very high83 Ų8351.6 Ų51.644%0.44428%0.281SS..Hα-helixtrans-62.8-42174.5-66.7-26000111.7D569 K570 K576 S577 R649D569-D573 VanDerWaalsContact O-CG 3.27Å; D569-D573 PolarHBondContact O-N 2.93Å; K570-D573 PolarHBondContact O-N 3.02Å; D573-K576 PolarHBondContact O-N 3.34Å; D573-S577 VanDerWaalsContact O-CB 3.3Å; D573-S577 WeakPolarHBondContact O-CB 3.19Å; D573-S577 PolarHBondContact O-N 3.09Å; D573-R649 IonicContact OD1-CZ 3.94Å; D573-R649 IonicContact OD1-NH1 3.55Å; D573-R649 PolarHBondContact OD1-NH1 2.92Å; D573-R649 IonicContact OD1-NH2 2.67Å
574S95.2Very high92.3Very high56 Ų5652.3 Ų52.339%0.39229%0.289SS..Hα-helixtrans-63.4-47.2175.6-178.90000111.6K570 C571 A572 K576 S577 V578K570-S574 WeakPolarHBondContact O-CB 3.35Å; K570-S574 PolarHBondContact O-N 3.32Å; C571-S574 PolarHBondContact O-N 2.83Å; A572-S574 VanDerWaalsContact C-N 3.35Å; S574-K576 VanDerWaalsContact C-N 3.34Å; S574-K576 PolarHBondContact O-N 2.86Å; S574-S577 PolarHBondContact O-N 3.22Å; S574-V578 VanDerWaalsContact O-CG2 3.3Å; S574-V578 WeakPolarHBondContact O-CG2 3.46Å; S574-V578 PolarHBondContact O-N 2.95Å
575A93.9Very high91.5Very high0 Ų054.5 Ų54.50%030%0.304CS..Hα-helixtrans-59.5-45.5177.400000111.9C571 A572 V578 Y579 W653 I654 L657 W674C571-A575 WeakPolarHBondContact O-CB 3.3Å; C571-A575 PolarHBondContact O-N 2.87Å; A572-A575 PolarHBondContact O-N 3.16Å; A575-V578 PolarHBondContact O-N 3.28Å; A575-Y579 WeakPolarHBondContact O-CB 3.33Å; A575-Y579 PolarHBondContact O-N 3.38Å; A575-W653 HydrophobicContact CB-CB 3.75Å; A575-I654 HydrophobicContact CB-CG1 4.32Å; A575-L657 HydrophobicContact CB-CD1 3.8Å; A575-L657 WeakPolarHBondContact O-CD1 2.87Å; A575-W674 HydrophobicContact CB-CH2 3.63Å; A575-W674 HydrophobicContact CB-CZ2 4.45Å; A575-W674 HydrophobicContact CB-CZ3 3.86Å
576K92.3Very high90.8Very high30 Ų3050.8 Ų50.813%0.1329%0.293CS..Hα-helixtrans-60.3-47174.8-179.1-178.4172.8-1690112.1E114 A572 D573 S574 Y579 Y580 W653E114-K576 IonicContact OE1-NZ 2.78Å; E114-K576 PolarHBondContact OE1-NZ 3.15Å; A572-K576 VanDerWaalsContact O-CB 3.31Å; A572-K576 WeakPolarHBondContact O-CB 3.32Å; A572-K576 PolarHBondContact O-N 3.07Å; D573-K576 PolarHBondContact O-N 3.34Å; S574-K576 VanDerWaalsContact C-N 3.34Å; S574-K576 PolarHBondContact O-N 2.86Å; K576-Y579 WeakPolarHBondContact O-CB 3.09Å; K576-Y579 PolarHBondContact O-N 3.22Å; K576-Y580 HydrophobicContact CD-CE2 4.37Å; K576-Y580 VanDerWaalsContact CE-CE2 3.4Å; K576-Y580 VanDerWaalsContact CE-CZ 3.42Å; K576-Y580 WeakPolarHBondContact CE-OH 3.25Å; K576-Y580 HydrophobicContact CG-CD2 4.47Å; K576-Y580 HydrophobicContact CG-CE1 4.06Å; K576-Y580 HydrophobicContact CG-CE2 4.03Å; K576-Y580 PolarHBondContact O-N 3.42Å; K576-W653 HydrophobicContact CB-CD2 3.7Å; K576-W653 HydrophobicContact CB-CE3 4.15Å; K576-W653 HydrophobicContact CB-CG 3.89Å; K576-W653 HydrophobicContact CB-CZ2 4.42Å; K576-W653 HydrophobicContact CD-CD2 4.5Å; K576-W653 HydrophobicContact CD-CH2 4.47Å; K576-W653 HydrophobicContact CD-CZ2 3.78Å; K576-W653 HydrophobicContact CG-CD2 3.92Å; K576-W653 HydrophobicContact CG-CE3 4.17Å; K576-W653 HydrophobicContact CG-CH2 4.05Å; K576-W653 HydrophobicContact CG-CZ2 3.75Å; K576-W653 HydrophobicContact CG-CZ3 4.24Å
577S92.6Very high90.2Very high63 Ų6350 Ų5044%0.44129%0.285SS..Hα-helixtrans-61.5-45.8-179.9-179.70000111.8D573 S574 Y579 Y580 Q581D573-S577 VanDerWaalsContact O-CB 3.3Å; D573-S577 WeakPolarHBondContact O-CB 3.19Å; D573-S577 PolarHBondContact O-N 3.09Å; S574-S577 PolarHBondContact O-N 3.22Å; S577-Y579 VanDerWaalsContact C-N 3.28Å; S577-Y579 PolarHBondContact O-N 3.47Å; S577-Y580 PolarHBondContact O-N 3.31Å; S577-Q581 WeakPolarHBondContact O-CG 3.46Å; S577-Q581 PolarHBondContact O-N 3.44Å
578V92Very high89.9Confident62 Ų6249 Ų4938%0.37628%0.282SS..Hα-helixtrans-59.9-41.3175.7173.40000110.8S574 A575 Y580 Q581 L657S574-V578 VanDerWaalsContact O-CG2 3.3Å; S574-V578 WeakPolarHBondContact O-CG2 3.46Å; S574-V578 PolarHBondContact O-N 2.95Å; A575-V578 PolarHBondContact O-N 3.28Å; V578-Y580 VanDerWaalsContact C-N 3.35Å; V578-Y580 PolarHBondContact O-N 2.93Å; V578-Q581 PolarHBondContact O-N 3.07Å; V578-L657 HydrophobicContact CB-CD2 4.2Å; V578-L657 HydrophobicContact CG1-CD2 3.79Å
579Y90.4Very high89.6Confident8 Ų849.5 Ų49.53%0.03129%0.285CS..Hα-helixtrans-62.6-42.8178.1176.5-101.9000111.3A575 K576 S577 Q581 G582 N583 A584 S586 W653 R656 L657 N660A575-Y579 WeakPolarHBondContact O-CB 3.33Å; A575-Y579 PolarHBondContact O-N 3.38Å; K576-Y579 WeakPolarHBondContact O-CB 3.09Å; K576-Y579 PolarHBondContact O-N 3.22Å; S577-Y579 VanDerWaalsContact C-N 3.28Å; S577-Y579 PolarHBondContact O-N 3.47Å; Y579-Q581 VanDerWaalsContact C-N 3.3Å; Y579-Q581 PolarHBondContact O-N 2.65Å; Y579-G582 PolarHBondContact O-N 2.49Å; Y579-N583 HydrophobicContact CD1-CB 4.42Å; Y579-N583 HydrophobicContact CD2-CB 4.3Å; Y579-N583 HydrophobicContact CE1-CB 3.88Å; Y579-N583 HydrophobicContact CE2-CB 3.79Å; Y579-N583 VanDerWaalsContact CZ-CB 3.49Å; Y579-N583 WeakPolarHBondContact O-CB 3.39Å; Y579-N583 PolarHBondContact O-N 2.71Å; Y579-N583 PolarHBondContact O-ND2 3.37Å; Y579-A584 WeakPolarHBondContact CE1-O 3.36Å; Y579-S586 PolarHBondContact OH-OG 3.2Å; Y579-W653 HydrophobicContact CD1-CE3 4.21Å; Y579-W653 AromaticContact CD1-CZ3 3.66Å; Y579-W653 HydrophobicContact CD1-CZ3 3.66Å; Y579-W653 HydrophobicContact CE1-CZ3 4.16Å; Y579-W653 HydrophobicContact CG-CZ3 4.41Å; Y579-R656 HydrophobicContact CD2-CB 4.13Å; Y579-R656 HydrophobicContact CE2-CB 4.25Å; Y579-R656 HydrophobicContact CG-CB 4.5Å; Y579-R656 PolarHBondContact OH-NH2 3.21Å; Y579-L657 HydrophobicContact CD2-CD2 4.35Å; Y579-L657 HydrophobicContact CG-CD2 4.48Å; Y579-N660 VanDerWaalsContact CE2-ND2 3.32Å; Y579-N660 WeakPolarHBondContact CE2-ND2 3.22Å
580Y90Very high89.4Confident70 Ų7050.1 Ų50.128%0.27529%0.286SS..Hα-helixtrans-70.2-19.7-178.6-71.34.5000114.5K576 S577 V578 G582 P585 W653K576-Y580 HydrophobicContact CD-CE2 4.37Å; K576-Y580 VanDerWaalsContact CE-CE2 3.4Å; K576-Y580 VanDerWaalsContact CE-CZ 3.42Å; K576-Y580 WeakPolarHBondContact CE-OH 3.25Å; K576-Y580 HydrophobicContact CG-CD2 4.47Å; K576-Y580 HydrophobicContact CG-CE1 4.06Å; K576-Y580 HydrophobicContact CG-CE2 4.03Å; K576-Y580 PolarHBondContact O-N 3.42Å; S577-Y580 PolarHBondContact O-N 3.31Å; V578-Y580 VanDerWaalsContact C-N 3.35Å; V578-Y580 PolarHBondContact O-N 2.93Å; Y580-G582 PolarHBondContact O-N 2.7Å; Y580-P585 HydrophobicContact CD1-CB 4.21Å; Y580-P585 HydrophobicContact CD1-CG 4.28Å; Y580-P585 HydrophobicContact CD2-CB 4.27Å; Y580-P585 HydrophobicContact CD2-CG 4.02Å; Y580-P585 HydrophobicContact CE1-CB 3.71Å; Y580-P585 HydrophobicContact CE1-CG 4.26Å; Y580-P585 HydrophobicContact CE2-CB 3.7Å; Y580-P585 HydrophobicContact CE2-CG 3.92Å; Y580-P585 HydrophobicContact CG-CG 4.21Å; Y580-W653 AromaticContact CE1-CH2 3.7Å; Y580-W653 HydrophobicContact CE1-CH2 3.7Å; Y580-W653 AromaticContact CE1-CZ3 3.81Å; Y580-W653 HydrophobicContact CE1-CZ3 3.81Å; Y580-W653 AromaticContact CZ-CH2 3.92Å; Y580-W653 WeakPolarHBondContact OH-CH2 3.47Å
581Q90.7Very high89.2Confident153 Ų15343.9 Ų43.972%0.71526%0.259SS*.THydrogen-bonded Turntrans-63.4-26.2177.7-74.1172.8-000113.1S577 V578 Y579S577-Q581 WeakPolarHBondContact O-CG 3.46Å; S577-Q581 PolarHBondContact O-N 3.44Å; V578-Q581 PolarHBondContact O-N 3.07Å; Y579-Q581 VanDerWaalsContact C-N 3.3Å; Y579-Q581 PolarHBondContact O-N 2.65Å
582G84.2Confident89.1Confident64 Ų6443.4 Ų43.466%0.6626%0.256SS*.THydrogen-bonded Turntrans-125.40.8-179.300000114.9Y579 Y580Y579-G582 PolarHBondContact O-N 2.49Å; Y580-G582 PolarHBondContact O-N 2.7Å
583N85Confident89.1Confident58 Ų5843.5 Ų43.531%0.3126%0.256SS..SBendtrans-142.1152.1-171.2-56.3-92.3000111.7Y579 N660Y579-N583 HydrophobicContact CD1-CB 4.42Å; Y579-N583 HydrophobicContact CD2-CB 4.3Å; Y579-N583 HydrophobicContact CE1-CB 3.88Å; Y579-N583 HydrophobicContact CE2-CB 3.79Å; Y579-N583 VanDerWaalsContact CZ-CB 3.49Å; Y579-N583 WeakPolarHBondContact O-CB 3.39Å; Y579-N583 PolarHBondContact O-N 2.71Å; Y579-N583 PolarHBondContact O-ND2 3.37Å; N583-N660 VanDerWaalsContact CG-ND2 3.26Å; N583-N660 PolarHBondContact ND2-ND2 3.17Å; N583-N660 VanDerWaalsContact ND2-ND2 3.11Å; N583-N660 PolarHBondContact OD1-ND2 3.33Å
584A82.4Confident89.1Confident52 Ų5239.6 Ų39.643%0.4324%0.236SC..  trans-62144.517000000110.9Y112 Y579 S586Y112-A584 HydrophobicContact CE2-CB 4.21Å; Y579-A584 WeakPolarHBondContact CE1-O 3.36Å; A584-S586 VanDerWaalsContact C-N 3.32Å; A584-S586 PolarHBondContact O-N 2.98Å
585P75.4Confident89.2Confident50 Ų5037.1 Ų37.133%0.32522%0.218SC..  trans-61.572.4-179.7-30.138.9000117Y112 Y580Y112-P585 WeakPolarHBondContact CA-O 3.46Å; Y112-P585 WeakPolarHBondContact CB-O 3.46Å; Y112-P585 VanDerWaalsContact CD1-C 3.42Å; Y112-P585 WeakPolarHBondContact CD1-O 3.36Å; Y112-P585 VanDerWaalsContact CG-O 3.31Å; Y580-P585 HydrophobicContact CD1-CB 4.21Å; Y580-P585 HydrophobicContact CD1-CG 4.28Å; Y580-P585 HydrophobicContact CD2-CB 4.27Å; Y580-P585 HydrophobicContact CD2-CG 4.02Å; Y580-P585 HydrophobicContact CE1-CB 3.71Å; Y580-P585 HydrophobicContact CE1-CG 4.26Å; Y580-P585 HydrophobicContact CE2-CB 3.7Å; Y580-P585 HydrophobicContact CE2-CG 3.92Å; Y580-P585 HydrophobicContact CG-CG 4.21Å
586S77.9Confident89.4Confident19 Ų1937.1 Ų37.113%0.13322%0.218CC..  trans-101.2123.3-172.2710000115.2Y112 Y579 A584Y112-S586 VanDerWaalsContact CE1-CB 3.44Å; Y579-S586 PolarHBondContact OH-OG 3.2Å; A584-S586 VanDerWaalsContact C-N 3.32Å; A584-S586 PolarHBondContact O-N 2.98Å
587F82.2Confident89.6Confident41 Ų4136 Ų3618%0.1821%0.213CC..  trans-70.3145.5156.8176.2-103.4000109.8E47 Y48 L116 I589 V592E47-F587 HydrophobicContact CG-CE2 4.43Å; E47-F587 WeakPolarHBondContact O-CZ 3.43Å; Y48-F587 HydrophobicContact CD1-CD2 4.37Å; Y48-F587 AromaticContact CD1-CE2 3.96Å; Y48-F587 HydrophobicContact CD1-CE2 3.96Å; Y48-F587 AromaticContact CE1-CD2 3.84Å; Y48-F587 HydrophobicContact CE1-CD2 3.84Å; Y48-F587 AromaticContact CE1-CE2 3.89Å; Y48-F587 HydrophobicContact CE1-CE2 3.89Å; L116-F587 HydrophobicContact CD2-CD1 4.2Å; L116-F587 HydrophobicContact CD2-CE1 4.15Å; L116-F587 HydrophobicContact CD2-CZ 4.46Å; F587-I589 HydrophobicContact CE1-CB 4.06Å; F587-I589 HydrophobicContact CE1-CD1 4.05Å; F587-I589 HydrophobicContact CZ-CD1 4.26Å; F587-V592 HydrophobicContact CE2-CG2 3.66Å; F587-V592 HydrophobicContact CZ-CB 4.42Å; F587-V592 HydrophobicContact CZ-CG2 3.63Å
588C88Confident89.9Confident22 Ų2233 Ų3315%0.14919%0.192CC..  trans-128.3105179.4-173.50000110.1E590 D591 V592C588-E590 PolarHBondContact O-N 2.98Å; C588-D591 HydrophobicContact CB-CB 4.36Å; C588-D591 WeakPolarHBondContact CB-OD2 3.4Å; C588-D591 PolarHBondContact O-N 2.84Å; C588-V592 PolarHBondContact O-N 3.44Å
589I90.1Very high90.2Very high20 Ų2030.1 Ų30.110%0.10318%0.175CC..Hα-helixtrans-64-28.4178.9-169.262.1000112.2L106 M402 E403 D404 F587 D591 V592 H593L106-I589 HydrophobicContact CD1-CG1 4.32Å; L106-I589 HydrophobicContact CD2-CB 4.26Å; L106-I589 HydrophobicContact CD2-CG1 4.36Å; M402-I589 HydrophobicContact CE-CD1 3.99Å; E403-I589 WeakPolarHBondContact O-CG1 3.39Å; D404-I589 HydrophobicContact CB-CG1 4.2Å; D404-I589 HydrophobicContact CB-CG2 4.07Å; F587-I589 HydrophobicContact CE1-CB 4.06Å; F587-I589 HydrophobicContact CE1-CD1 4.05Å; F587-I589 HydrophobicContact CZ-CD1 4.26Å; I589-D591 VanDerWaalsContact C-N 3.33Å; I589-D591 PolarHBondContact O-N 2.82Å; I589-V592 HydrophobicContact CD1-CB 4.41Å; I589-V592 PolarHBondContact O-N 3.21Å; I589-H593 VanDerWaalsContact O-CB 3.29Å; I589-H593 WeakPolarHBondContact O-CB 2.83Å; I589-H593 PolarHBondContact O-N 2.94Å
590E91.7Very high90.5Very high57 Ų5730.1 Ų30.127%0.26618%0.176SC..Hα-helixtrans-64.2-35.5176.6-60.2178.1-175.100112.6K521 C588 Q594K521-E590 WeakPolarHBondContact CE-OE2 3.38Å; K521-E590 IonicContact NZ-OE2 3.91Å; K521-E590 PolarHBondContact NZ-OE2 3.16Å; C588-E590 PolarHBondContact O-N 2.98Å; E590-Q594 WeakPolarHBondContact O-CG 3.28Å; E590-Q594 PolarHBondContact O-N 3.31Å; E590-Q594 VanDerWaalsContact O-N 3.11Å; E590-Q594 PolarHBondContact O-NE2 3.34Å; E590-Q594 VanDerWaalsContact O-NE2 3.16Å
591D92.5Very high90.8Very high3 Ų327 Ų272%0.01616%0.164CC..Hα-helixtrans-69.8-42.5175.6-73.3-40.1000110.7V530 C588 I589 H593 Q594 L595 R656 Q659V530-D591 HydrophobicContact CG2-CB 4.47Å; C588-D591 HydrophobicContact CB-CB 4.36Å; C588-D591 WeakPolarHBondContact CB-OD2 3.4Å; C588-D591 PolarHBondContact O-N 2.84Å; I589-D591 VanDerWaalsContact C-N 3.33Å; I589-D591 PolarHBondContact O-N 2.82Å; D591-H593 VanDerWaalsContact C-N 3.34Å; D591-Q594 PolarHBondContact O-N 2.91Å; D591-L595 WeakPolarHBondContact O-CB 3.15Å; D591-L595 PolarHBondContact O-N 3.02Å; D591-R656 WeakPolarHBondContact OD2-CD 3.45Å; D591-R656 IonicContact OD2-NH1 3.97Å; D591-Q659 PolarHBondContact OD1-NE2 3.04Å; D591-Q659 PolarHBondContact OD2-NE2 2.52Å; D591-Q659 VanDerWaalsContact OD2-NE2 3.09Å
592V94Very high91.2Very high1 Ų119.8 Ų19.81%0.00613%0.131CC..Hα-helixtrans-66.6-37.3176.1-179.80000111.4E47 M402 F587 C588 I589 L595 N596E47-V592 WeakPolarHBondContact O-CG1 3.34Å; M402-V592 HydrophobicContact CB-CG1 3.81Å; F587-V592 HydrophobicContact CE2-CG2 3.66Å; F587-V592 HydrophobicContact CZ-CB 4.42Å; F587-V592 HydrophobicContact CZ-CG2 3.63Å; C588-V592 PolarHBondContact O-N 3.44Å; I589-V592 HydrophobicContact CD1-CB 4.41Å; I589-V592 PolarHBondContact O-N 3.21Å; V592-L595 WeakPolarHBondContact O-CB 3.49Å; V592-L595 PolarHBondContact O-N 3.08Å; V592-N596 PolarHBondContact O-N 3.4Å; V592-N596 PolarHBondContact O-ND2 2.73Å
593H95.1Very high91.8Very high1 Ų117.4 Ų17.41%0.00510%0.104CC..Hα-helixtrans-58.9-53.4175-177.8104.5000110.1D404 I407 H517 I589 D591 L595 N596 E597D404-H593 HydrophobicContact CB-CB 4.22Å; D404-H593 PolarHBondContact N-ND1 2.96Å; D404-H593 VanDerWaalsContact N-ND1 3.13Å; I407-H593 WeakPolarHBondContact CD1-CE1 3.48Å; H517-H593 AromaticContact ND1-CD2 3.84Å; H517-H593 AromaticContact ND1-NE2 3.96Å; I589-H593 VanDerWaalsContact O-CB 3.29Å; I589-H593 WeakPolarHBondContact O-CB 2.83Å; I589-H593 PolarHBondContact O-N 2.94Å; D591-H593 VanDerWaalsContact C-N 3.34Å; H593-L595 VanDerWaalsContact C-N 3.28Å; H593-L595 PolarHBondContact O-N 3.07Å; H593-N596 PolarHBondContact O-N 3.48Å; H593-N596 VanDerWaalsContact O-N 3.09Å; H593-E597 IonicContact CD2-OE1 2.68Å; H593-E597 IonicContact NE2-OE1 3.66Å; H593-E597 PolarHBondContact NE2-OE1 3.12Å; H593-E597 WeakPolarHBondContact O-CG 3.2Å; H593-E597 PolarHBondContact O-N 3.44Å
594Q96.4Very high92.4Very high2 Ų214.7 Ų14.71%0.0099%0.09CC..Hα-helixtrans-58.1-39175.6-78.41758900112.8W511 H517 V530 E590 D591 E597 L598W511-Q594 HydrophobicContact CZ2-CB 3.87Å; W511-Q594 HydrophobicContact CZ2-CG 4.02Å; H517-Q594 HydrophobicContact CB-CG 3.61Å; V530-Q594 HydrophobicContact CB-CB 4.33Å; V530-Q594 HydrophobicContact CG1-CB 4.1Å; V530-Q594 HydrophobicContact CG2-CB 4.02Å; E590-Q594 WeakPolarHBondContact O-CG 3.28Å; E590-Q594 PolarHBondContact O-N 3.31Å; E590-Q594 VanDerWaalsContact O-N 3.11Å; E590-Q594 PolarHBondContact O-NE2 3.34Å; E590-Q594 VanDerWaalsContact O-NE2 3.16Å; D591-Q594 PolarHBondContact O-N 2.91Å; Q594-E597 WeakPolarHBondContact O-CB 3.34Å; Q594-E597 PolarHBondContact O-N 2.95Å; Q594-L598 PolarHBondContact O-N 3.39Å
595L96.9Very high93.1Very high3 Ų312.2 Ų12.22%0.0167%0.069CC..Hα-helixtrans-63.3-42.5175.3-178.761.5000111.8Y48 D591 V592 H593 L598 Q599 F645 L651Y48-L595 WeakPolarHBondContact O-CD2 3.36Å; D591-L595 WeakPolarHBondContact O-CB 3.15Å; D591-L595 PolarHBondContact O-N 3.02Å; V592-L595 WeakPolarHBondContact O-CB 3.49Å; V592-L595 PolarHBondContact O-N 3.08Å; H593-L595 VanDerWaalsContact C-N 3.28Å; H593-L595 PolarHBondContact O-N 3.07Å; L595-L598 WeakPolarHBondContact O-CB 3.37Å; L595-L598 PolarHBondContact O-N 3.48Å; L595-Q599 WeakPolarHBondContact O-CG 3.3Å; L595-Q599 PolarHBondContact O-N 3.31Å; L595-F645 HydrophobicContact CD1-CD1 3.73Å; L595-F645 HydrophobicContact CD1-CE1 3.92Å; L595-L651 HydrophobicContact CD1-CB 4.49Å; L595-L651 HydrophobicContact CD1-CD1 3.71Å; L595-L651 HydrophobicContact CD2-CB 4.32Å; L595-L651 HydrophobicContact CD2-CD1 4.34Å
596N97.3Very high94.2Very high1 Ų112.3 Ų12.31%0.0057%0.065CC..Hα-helixtrans-74.8-27.6178.2-75.6-37000113.3V401 M402 L411 V592 H593 Q599 S600V401-N596 HydrophobicContact CG2-CB 4.15Å; M402-N596 PolarHBondContact O-ND2 2.96Å; L411-N596 HydrophobicContact CD2-CB 3.94Å; V592-N596 PolarHBondContact O-N 3.4Å; V592-N596 PolarHBondContact O-ND2 2.73Å; H593-N596 PolarHBondContact O-N 3.48Å; H593-N596 VanDerWaalsContact O-N 3.09Å; N596-Q599 PolarHBondContact O-N 3.33Å; N596-Q599 PolarHBondContact OD1-NE2 3.22Å; N596-S600 WeakPolarHBondContact O-CB 3.49Å; N596-S600 PolarHBondContact O-N 3.34Å
597E97.5Very high95.1Very high6 Ų611.5 Ų11.53%0.0286%0.059CC..Hα-helixtrans-58.1-50.5164.7-71.5-179.514300110.1L411 C414 W511 S515 H593 Q594 Q599 S600 M601L411-E597 HydrophobicContact CB-CG 3.9Å; C414-E597 HydrophobicContact CB-CB 4.44Å; C414-E597 HydrophobicContact CB-CG 4.25Å; W511-E597 PolarHBondContact NE1-OE2 3.13Å; S515-E597 WeakPolarHBondContact CB-OE2 3.21Å; S515-E597 PolarHBondContact OG-OE1 3.22Å; S515-E597 PolarHBondContact OG-OE2 3.01Å; H593-E597 IonicContact CD2-OE1 2.68Å; H593-E597 IonicContact NE2-OE1 3.66Å; H593-E597 PolarHBondContact NE2-OE1 3.12Å; H593-E597 WeakPolarHBondContact O-CG 3.2Å; H593-E597 PolarHBondContact O-N 3.44Å; Q594-E597 WeakPolarHBondContact O-CB 3.34Å; Q594-E597 PolarHBondContact O-N 2.95Å; E597-Q599 VanDerWaalsContact C-N 3.3Å; E597-Q599 PolarHBondContact O-N 3.37Å; E597-S600 WeakPolarHBondContact O-CB 3.3Å; E597-S600 PolarHBondContact O-N 2.83Å; E597-S600 VanDerWaalsContact O-N 3.08Å; E597-M601 WeakPolarHBondContact O-CB 3.43Å; E597-M601 VanDerWaalsContact O-CG 3.31Å; E597-M601 WeakPolarHBondContact O-CG 3.32Å; E597-M601 PolarHBondContact O-N 3.32Å
598L98.1Very high95.9Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-58.1-40.5176.6-83158000112.4L507 L508 W511 V530 L534 Q594 L595 M601 A602 F645L507-L598 HydrophobicContact CD1-CD2 4.48Å; L507-L598 HydrophobicContact CG-CD2 4.27Å; L508-L598 HydrophobicContact CD2-CD2 4.2Å; W511-L598 HydrophobicContact CB-CD2 3.68Å; W511-L598 HydrophobicContact CB-CG 4.37Å; W511-L598 HydrophobicContact CD2-CD1 3.95Å; W511-L598 HydrophobicContact CD2-CD2 3.48Å; W511-L598 VanDerWaalsContact CD2-CD2 3.48Å; W511-L598 HydrophobicContact CD2-CG 3.5Å; W511-L598 HydrophobicContact CE3-CD1 4.06Å; W511-L598 HydrophobicContact CE3-CD2 3.68Å; W511-L598 HydrophobicContact CE3-CG 3.99Å; W511-L598 HydrophobicContact CG-CD2 3.47Å; W511-L598 VanDerWaalsContact CG-CD2 3.47Å; W511-L598 HydrophobicContact CG-CG 3.66Å; W511-L598 HydrophobicContact CH2-CD1 4.04Å; W511-L598 HydrophobicContact CZ2-CD1 3.96Å; W511-L598 HydrophobicContact CZ2-CG 4.24Å; W511-L598 HydrophobicContact CZ3-CD1 4.1Å; W511-L598 HydrophobicContact CZ3-CD2 4.48Å; V530-L598 HydrophobicContact CG1-CD1 3.74Å; L534-L598 HydrophobicContact CD2-CB 4.38Å; L534-L598 HydrophobicContact CD2-CD1 3.83Å; L534-L598 HydrophobicContact CD2-CD2 3.86Å; L534-L598 HydrophobicContact CD2-CG 4.24Å; Q594-L598 PolarHBondContact O-N 3.39Å; L595-L598 WeakPolarHBondContact O-CB 3.37Å; L595-L598 PolarHBondContact O-N 3.48Å; L598-M601 PolarHBondContact O-N 3.23Å; L598-A602 VanDerWaalsContact O-CB 3.29Å; L598-A602 WeakPolarHBondContact O-CB 3.39Å; L598-A602 PolarHBondContact O-N 3.01Å; L598-F645 HydrophobicContact CB-CE1 4.04Å; L598-F645 HydrophobicContact CB-CZ 4.19Å
599Q97.9Very high96.3Very high1 Ų18.8 Ų8.81%0.0054%0.044CC..Hα-helixtrans-63.4-42.6174.4-68.3-176.933.900112.1G49 Y52 L124 L595 N596 E597 A602 S603 F645G49-Q599 PolarHBondContact O-NE2 3.27Å; G49-Q599 PolarHBondContact O-OE1 3.15Å; Y52-Q599 PolarHBondContact OH-OE1 3.1Å; L124-Q599 HydrophobicContact CD1-CB 3.75Å; L124-Q599 HydrophobicContact CD1-CG 3.58Å; L124-Q599 HydrophobicContact CD2-CB 4.23Å; L124-Q599 HydrophobicContact CG-CB 3.9Å; L124-Q599 HydrophobicContact CG-CG 4.13Å; L595-Q599 WeakPolarHBondContact O-CG 3.3Å; L595-Q599 PolarHBondContact O-N 3.31Å; N596-Q599 PolarHBondContact O-N 3.33Å; N596-Q599 PolarHBondContact OD1-NE2 3.22Å; E597-Q599 VanDerWaalsContact C-N 3.3Å; E597-Q599 PolarHBondContact O-N 3.37Å; Q599-A602 PolarHBondContact O-N 2.92Å; Q599-S603 PolarHBondContact O-N 2.63Å; Q599-S603 VanDerWaalsContact O-N 3.09Å; Q599-F645 HydrophobicContact CB-CE2 4.46Å; Q599-F645 HydrophobicContact CB-CZ 4.32Å; Q599-F645 HydrophobicContact CG-CD1 3.72Å; Q599-F645 HydrophobicContact CG-CD2 3.97Å; Q599-F645 HydrophobicContact CG-CE1 3.64Å; Q599-F645 HydrophobicContact CG-CE2 3.91Å; Q599-F645 HydrophobicContact CG-CG 3.87Å; Q599-F645 HydrophobicContact CG-CZ 3.74Å
600S96.9Very high96.6Very high8 Ų88.1 Ų8.16%0.0564%0.042CC..Hα-helixtrans-62.7-47.3176.3-155.90000111.1R123 D412 N596 E597 A602 S603 G604R123-S600 PolarHBondContact NH1-OG 3.22Å; R123-S600 VanDerWaalsContact NH1-OG 3.09Å; D412-S600 PolarHBondContact OD1-OG 3.14Å; N596-S600 WeakPolarHBondContact O-CB 3.49Å; N596-S600 PolarHBondContact O-N 3.34Å; E597-S600 WeakPolarHBondContact O-CB 3.3Å; E597-S600 PolarHBondContact O-N 2.83Å; E597-S600 VanDerWaalsContact O-N 3.08Å; S600-A602 VanDerWaalsContact C-N 3.34Å; S600-A602 PolarHBondContact O-N 3.36Å; S600-S603 PolarHBondContact O-N 3.07Å; S600-G604 PolarHBondContact O-N 3.2Å
601M97.7Very high96.8Very high4 Ų45.6 Ų5.62%0.023%0.03CC..Hα-helixtrans-60.1-40.4175.7-69.3-66.3-7100112.2M415 M418 L507 L510 W511 E597 L598 L605M415-M601 HydrophobicContact CB-SD 4.48Å; M415-M601 HydrophobicContact CG-CG 4.37Å; M415-M601 HydrophobicContact CG-SD 3.68Å; M415-M601 HydrophobicContact SD-CB 4.46Å; M415-M601 HydrophobicContact SD-CG 4.25Å; M415-M601 HydrophobicContact SD-SD 3.3Å; M418-M601 HydrophobicContact CE-CE 4.02Å; L507-M601 HydrophobicContact CD1-CB 3.65Å; L510-M601 HydrophobicContact CB-CE 3.67Å; W511-M601 HydrophobicContact CB-CB 4.47Å; W511-M601 HydrophobicContact CB-CG 4.13Å; E597-M601 WeakPolarHBondContact O-CB 3.43Å; E597-M601 VanDerWaalsContact O-CG 3.31Å; E597-M601 WeakPolarHBondContact O-CG 3.32Å; E597-M601 PolarHBondContact O-N 3.32Å; L598-M601 PolarHBondContact O-N 3.23Å; M601-L605 WeakPolarHBondContact O-CB 3.2Å; M601-L605 PolarHBondContact O-N 2.93Å
602A98.1Very high97Very high3 Ų35.4 Ų5.43%0.0253%0.03CC..Hα-helixtrans-65.6-46.1178.800000112L507 L598 Q599 S600 L605 K606 L641 F645L507-A602 HydrophobicContact CD1-CB 3.99Å; L507-A602 HydrophobicContact CD2-CB 3.84Å; L598-A602 VanDerWaalsContact O-CB 3.29Å; L598-A602 WeakPolarHBondContact O-CB 3.39Å; L598-A602 PolarHBondContact O-N 3.01Å; Q599-A602 PolarHBondContact O-N 2.92Å; S600-A602 VanDerWaalsContact C-N 3.34Å; S600-A602 PolarHBondContact O-N 3.36Å; A602-L605 PolarHBondContact O-N 3.4Å; A602-K606 WeakPolarHBondContact O-CG 3.11Å; A602-K606 PolarHBondContact O-N 3.08Å; A602-L641 HydrophobicContact CB-CD2 3.83Å; A602-F645 HydrophobicContact CB-CE2 3.94Å; A602-F645 HydrophobicContact CB-CZ 4.18Å
603S97.2Very high97Very high14 Ų146.5 Ų6.510%0.0984%0.035CC..Hα-helixtrans-63.8-44.7177.1-171.50000111.5Q599 S600 K606 H607Q599-S603 PolarHBondContact O-N 2.63Å; Q599-S603 VanDerWaalsContact O-N 3.09Å; S600-S603 PolarHBondContact O-N 3.07Å; S603-K606 PolarHBondContact O-N 3.07Å; S603-H607 PolarHBondContact O-N 2.92Å
604G97.5Very high97Very high1 Ų16.5 Ų6.51%0.013%0.034CC..Hα-helixtrans-62.9-42.2176.600000113.5S600 H607 L608S600-G604 PolarHBondContact O-N 3.2Å; G604-H607 WeakPolarHBondContact O-CB 3.2Å; G604-H607 PolarHBondContact O-N 3.04Å; G604-L608 WeakPolarHBondContact O-CB 3.29Å; G604-L608 PolarHBondContact O-N 3.44Å
605L97.8Very high96.9Very high0 Ų06.4 Ų6.40%03%0.034CC..Hα-helixtrans-68.2-39.2178.9-17758.6000111.6M418 F484 I506 L507 L510 M601 A602 L608 V609 F638M418-L605 HydrophobicContact CE-CB 4.07Å; M418-L605 HydrophobicContact CE-CD1 4.09Å; M418-L605 HydrophobicContact SD-CB 4.25Å; M418-L605 PolarHBondContact SD-N 3.18Å; M418-L605 VanDerWaalsContact SD-N 3.42Å; F484-L605 HydrophobicContact CE1-CD1 4.33Å; F484-L605 HydrophobicContact CZ-CD1 4.46Å; I506-L605 HydrophobicContact CB-CD2 4.45Å; I506-L605 HydrophobicContact CG2-CD1 4.42Å; I506-L605 HydrophobicContact CG2-CD2 3.9Å; L507-L605 HydrophobicContact CB-CD2 4.18Å; L510-L605 HydrophobicContact CD1-CD1 4.07Å; L510-L605 HydrophobicContact CD1-CD2 4.46Å; M601-L605 WeakPolarHBondContact O-CB 3.2Å; M601-L605 PolarHBondContact O-N 2.93Å; A602-L605 PolarHBondContact O-N 3.4Å; L605-L608 PolarHBondContact O-N 3.49Å; L605-V609 HydrophobicContact CD1-CG2 4.41Å; L605-V609 WeakPolarHBondContact O-CG2 3.47Å; L605-V609 PolarHBondContact O-N 3.09Å; L605-F638 HydrophobicContact CD2-CE1 3.78Å; L605-F638 HydrophobicContact CD2-CZ 4.26Å; L605-F638 HydrophobicContact CG-CE1 3.83Å; L605-F638 HydrophobicContact CG-CZ 3.86Å
606K97.5Very high96.7Very high52 Ų526.4 Ų6.423%0.2263%0.034CC..Hα-helixtrans-60.6-45.5172.4-74.2179.884.7163.90111E131 A602 S603 A610 F638 L641E131-K606 IonicContact OE1-NZ 3.48Å; E131-K606 PolarHBondContact OE1-NZ 3.01Å; A602-K606 WeakPolarHBondContact O-CG 3.11Å; A602-K606 PolarHBondContact O-N 3.08Å; S603-K606 PolarHBondContact O-N 3.07Å; K606-A610 VanDerWaalsContact O-CB 3.3Å; K606-A610 WeakPolarHBondContact O-CB 3.39Å; K606-A610 PolarHBondContact O-N 2.95Å; K606-F638 HydrophobicContact CD-CB 4.18Å; K606-F638 HydrophobicContact CD-CD2 4.41Å; K606-F638 HydrophobicContact CD-CG 4.16Å; K606-F638 HydrophobicContact CG-CB 4.26Å; K606-F638 HydrophobicContact CG-CD1 3.98Å; K606-F638 HydrophobicContact CG-CD2 3.66Å; K606-F638 HydrophobicContact CG-CE1 4.23Å; K606-F638 HydrophobicContact CG-CE2 3.91Å; K606-F638 HydrophobicContact CG-CG 3.68Å; K606-F638 HydrophobicContact CG-CZ 4.18Å; K606-L641 HydrophobicContact CD-CD1 4.26Å; K606-L641 HydrophobicContact CD-CD2 4.25Å; K606-L641 HydrophobicContact CD-CG 4.23Å
607H97.8Very high96.5Very high2 Ų26.7 Ų6.71%0.0094%0.036CC..Hα-helixtrans-57.6-50.5174.1-178125.3000111V383 L386 L422 S603 G604 V609 A610 L611V383-H607 HydrophobicContact CG2-CB 4.16Å; V383-H607 PolarHBondContact N-ND1 3.29Å; V383-H607 PolarHBondContact O-ND1 3.17Å; L386-H607 HydrophobicContact CD1-CB 4.03Å; L422-H607 VanDerWaalsContact CD2-CD2 3.4Å; L422-H607 WeakPolarHBondContact CD2-CD2 3.34Å; S603-H607 PolarHBondContact O-N 2.92Å; G604-H607 WeakPolarHBondContact O-CB 3.2Å; G604-H607 PolarHBondContact O-N 3.04Å; H607-V609 PolarHBondContact O-N 3.19Å; H607-A610 PolarHBondContact O-N 3.04Å; H607-L611 WeakPolarHBondContact O-CB 3.28Å; H607-L611 PolarHBondContact O-N 2.87Å
608L97.9Very high96.2Very high0 Ų06.4 Ų6.40%04%0.035CC..Hα-helixtrans-59.4-47.5-177.3179.764.6000111.8M418 I421 L422 L425 F483 L488 G604 L605 A610 L611 I612M418-L608 HydrophobicContact CG-CD2 4.05Å; M418-L608 HydrophobicContact SD-CD2 4.39Å; I421-L608 HydrophobicContact CG2-CD1 3.99Å; L422-L608 HydrophobicContact CD2-CB 3.95Å; L422-L608 HydrophobicContact CD2-CD1 3.61Å; L422-L608 HydrophobicContact CD2-CG 4.4Å; L422-L608 HydrophobicContact CG-CD1 4.28Å; L425-L608 HydrophobicContact CD1-CD1 3.72Å; F483-L608 HydrophobicContact CE1-CD1 4.35Å; F483-L608 HydrophobicContact CZ-CD1 4.42Å; L488-L608 HydrophobicContact CD1-CD2 3.86Å; G604-L608 WeakPolarHBondContact O-CB 3.29Å; G604-L608 PolarHBondContact O-N 3.44Å; L605-L608 PolarHBondContact O-N 3.49Å; L608-A610 VanDerWaalsContact C-N 3.34Å; L608-L611 PolarHBondContact O-N 2.71Å; L608-I612 HydrophobicContact CD1-CD1 3.63Å; L608-I612 HydrophobicContact CD1-CG1 4.14Å; L608-I612 HydrophobicContact CD2-CD1 4.4Å; L608-I612 HydrophobicContact CG-CD1 3.64Å; L608-I612 HydrophobicContact CG-CG1 4.49Å; L608-I612 WeakPolarHBondContact O-CD1 3.24Å; L608-I612 VanDerWaalsContact O-CG1 3.25Å; L608-I612 WeakPolarHBondContact O-CG1 3.46Å; L608-I612 PolarHBondContact O-N 2.95Å
609V97Very high95.9Very high5 Ų57.5 Ų7.53%0.034%0.039CC..Hα-helixtrans-60.6-46.6176.1169.60000110.5F480 F484 L605 H607 L611 I612 E613 N633 I636 F638F480-V609 HydrophobicContact CE2-CG1 4.29Å; F480-V609 HydrophobicContact CZ-CG1 4.17Å; F480-V609 HydrophobicContact CZ-CG2 4.33Å; F484-V609 HydrophobicContact CE2-CG2 4.41Å; F484-V609 HydrophobicContact CZ-CG2 3.78Å; L605-V609 HydrophobicContact CD1-CG2 4.41Å; L605-V609 WeakPolarHBondContact O-CG2 3.47Å; L605-V609 PolarHBondContact O-N 3.09Å; H607-V609 PolarHBondContact O-N 3.19Å; V609-L611 PolarHBondContact O-N 3.01Å; V609-I612 PolarHBondContact O-N 3.47Å; V609-E613 HydrophobicContact CG1-CG 4.27Å; V609-E613 WeakPolarHBondContact O-CB 3.4Å; V609-E613 WeakPolarHBondContact O-CG 3.43Å; V609-E613 PolarHBondContact O-N 3.03Å; V609-N633 WeakPolarHBondContact CG1-ND2 3.45Å; V609-I636 HydrophobicContact CG2-CD1 4.14Å; V609-I636 HydrophobicContact CG2-CG2 4.3Å; V609-F638 HydrophobicContact CB-CE2 4.05Å; V609-F638 HydrophobicContact CB-CZ 4.27Å; V609-F638 HydrophobicContact CG1-CE2 4.18Å; V609-F638 HydrophobicContact CG2-CE2 4.04Å; V609-F638 HydrophobicContact CG2-CZ 3.8Å
610A96Very high95.4Very high7 Ų79 Ų96%0.0585%0.047CC..Hα-helixtrans-62.2-33.9-179.400000112.7R376 E381 L382 K606 H607 L608R376-A610 VanDerWaalsContact NH1-CA 3.27Å; R376-A610 PolarHBondContact NH1-O 3Å; E381-A610 HydrophobicContact CB-CB 4.41Å; E381-A610 WeakPolarHBondContact O-CB 3.47Å; L382-A610 HydrophobicContact CD2-CB 3.96Å; K606-A610 VanDerWaalsContact O-CB 3.3Å; K606-A610 WeakPolarHBondContact O-CB 3.39Å; K606-A610 PolarHBondContact O-N 2.95Å; H607-A610 PolarHBondContact O-N 3.04Å; L608-A610 VanDerWaalsContact C-N 3.34Å
611L96.6Very high94.9Very high3 Ų311.1 Ų11.12%0.0166%0.062CC..Hα-helixtrans-71.6-50.1175.7-177.360000111.4L373 L382 L422 L425 H607 L608 V609 E613 V614 L615L373-L611 HydrophobicContact CD1-CD1 3.68Å; L382-L611 HydrophobicContact CD2-CB 4.14Å; L422-L611 HydrophobicContact CD2-CD2 4.08Å; L425-L611 HydrophobicContact CB-CD2 3.91Å; L425-L611 HydrophobicContact CD1-CD2 3.91Å; L425-L611 HydrophobicContact CD1-CG 4.48Å; H607-L611 WeakPolarHBondContact O-CB 3.28Å; H607-L611 PolarHBondContact O-N 2.87Å; L608-L611 PolarHBondContact O-N 2.71Å; V609-L611 PolarHBondContact O-N 3.01Å; L611-E613 VanDerWaalsContact C-N 3.33Å; L611-E613 PolarHBondContact O-N 3.37Å; L611-V614 PolarHBondContact O-N 2.93Å; L611-V614 VanDerWaalsContact O-N 3.13Å; L611-L615 HydrophobicContact CD1-CD1 3.87Å; L611-L615 HydrophobicContact CD1-CG 4.04Å; L611-L615 HydrophobicContact CD2-CD1 4.3Å; L611-L615 HydrophobicContact CG-CD1 3.72Å; L611-L615 HydrophobicContact CG-CG 4.2Å; L611-L615 WeakPolarHBondContact O-CG 3.32Å; L611-L615 PolarHBondContact O-N 3.44Å
612I95.4Very high94Very high0 Ų016.6 Ų16.60%09%0.091CC..Hα-helixtrans-66-36.3-176.6-63.7161.3000111.8L425 F480 F483 F484 L608 V609 V614 L615 C616L425-I612 HydrophobicContact CD1-CG1 4.05Å; F480-I612 HydrophobicContact CD2-CB 4.31Å; F480-I612 HydrophobicContact CD2-CG2 3.59Å; F480-I612 HydrophobicContact CE2-CB 4.29Å; F480-I612 HydrophobicContact CE2-CG2 4.04Å; F480-I612 HydrophobicContact CG-CG2 4.4Å; F483-I612 HydrophobicContact CD1-CD1 3.34Å; F483-I612 HydrophobicContact CD1-CG1 4.29Å; F483-I612 HydrophobicContact CD2-CD1 4.48Å; F483-I612 HydrophobicContact CE1-CD1 3.17Å; F483-I612 HydrophobicContact CE1-CG1 4.1Å; F483-I612 HydrophobicContact CE2-CD1 4.32Å; F483-I612 HydrophobicContact CE2-CG1 4.43Å; F483-I612 HydrophobicContact CG-CD1 4.03Å; F483-I612 HydrophobicContact CG-CG2 4.46Å; F483-I612 HydrophobicContact CZ-CD1 3.69Å; F483-I612 HydrophobicContact CZ-CG1 4.15Å; F484-I612 HydrophobicContact CE2-CD1 4.2Å; L608-I612 HydrophobicContact CD1-CD1 3.63Å; L608-I612 HydrophobicContact CD1-CG1 4.14Å; L608-I612 HydrophobicContact CD2-CD1 4.4Å; L608-I612 HydrophobicContact CG-CD1 3.64Å; L608-I612 HydrophobicContact CG-CG1 4.49Å; L608-I612 WeakPolarHBondContact O-CD1 3.24Å; L608-I612 VanDerWaalsContact O-CG1 3.25Å; L608-I612 WeakPolarHBondContact O-CG1 3.46Å; L608-I612 PolarHBondContact O-N 2.95Å; V609-I612 PolarHBondContact O-N 3.47Å; I612-V614 PolarHBondContact O-N 3.11Å; I612-V614 VanDerWaalsContact O-N 3.17Å; I612-L615 PolarHBondContact O-N 3.36Å; I612-L615 VanDerWaalsContact O-N 3.17Å; I612-C616 WeakPolarHBondContact CG2-SG 3.49Å; I612-C616 WeakPolarHBondContact O-CB 3.2Å; I612-C616 PolarHBondContact O-N 3.39Å
613E94.1Very high93Very high24 Ų2418.8 Ų18.811%0.11211%0.107CC..Hα-helixtrans-54.9-30.8174.4-85.6-176.215500113.3R376 F480 V609 L611 P617 L631 R632 N633R376-E613 IonicContact CZ-OE2 3.37Å; R376-E613 IonicContact NH1-OE2 2.81Å; R376-E613 PolarHBondContact NH1-OE2 2.88Å; R376-E613 IonicContact NH2-OE2 3.73Å; R376-E613 PolarHBondContact NH2-OE2 3.16Å; F480-E613 HydrophobicContact CE2-CG 4.08Å; V609-E613 HydrophobicContact CG1-CG 4.27Å; V609-E613 WeakPolarHBondContact O-CB 3.4Å; V609-E613 WeakPolarHBondContact O-CG 3.43Å; V609-E613 PolarHBondContact O-N 3.03Å; L611-E613 VanDerWaalsContact C-N 3.33Å; L611-E613 PolarHBondContact O-N 3.37Å; E613-P617 WeakPolarHBondContact O-CD 3.28Å; E613-P617 WeakPolarHBondContact O-CG 3.44Å; E613-L631 VanDerWaalsContact CB-O 3.31Å; E613-L631 WeakPolarHBondContact CB-O 3.4Å; E613-L631 WeakPolarHBondContact CG-O 3.45Å; E613-L631 WeakPolarHBondContact O-CD2 3.44Å; E613-R632 WeakPolarHBondContact OE1-CA 3.41Å; E613-N633 HydrophobicContact CG-CB 4.04Å; E613-N633 PolarHBondContact OE1-N 3.48Å; E613-N633 PolarHBondContact OE1-ND2 3.06Å
614V94.7Very high91.7Very high0 Ų021.8 Ų21.80%012%0.121CC..Hα-helixtrans-87.3-44.5174.8179.70000110.7E372 L373 L611 I612 P617 F618 F626 L631E372-V614 HydrophobicContact CG-CG2 3.86Å; L373-V614 HydrophobicContact CB-CG1 4.05Å; L373-V614 HydrophobicContact CD1-CB 4.32Å; L373-V614 HydrophobicContact CD1-CG1 4.15Å; L373-V614 HydrophobicContact CD1-CG2 4.47Å; L611-V614 PolarHBondContact O-N 2.93Å; L611-V614 VanDerWaalsContact O-N 3.13Å; I612-V614 PolarHBondContact O-N 3.11Å; I612-V614 VanDerWaalsContact O-N 3.17Å; V614-P617 VanDerWaalsContact O-CD 3.29Å; V614-P617 WeakPolarHBondContact O-CD 3.3Å; V614-P617 WeakPolarHBondContact O-CG 3.43Å; V614-F618 WeakPolarHBondContact O-CB 3.26Å; V614-F618 PolarHBondContact O-N 2.83Å; V614-F618 VanDerWaalsContact O-N 3.12Å; V614-F626 HydrophobicContact CG1-CZ 3.86Å; V614-L631 HydrophobicContact CG2-CD2 4.11Å
615L94.6Very high90.5Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-68.5-37.7-173.8-66.4-176.5000113.2L425 L429 P470 L611 I612 F618 Y619L425-L615 HydrophobicContact CB-CD1 4.12Å; L425-L615 HydrophobicContact CD2-CD1 3.89Å; L425-L615 HydrophobicContact CG-CD1 4.43Å; L429-L615 HydrophobicContact CB-CD2 4.41Å; L429-L615 HydrophobicContact CD1-CD2 3.89Å; L429-L615 HydrophobicContact CD2-CD2 4.32Å; L429-L615 HydrophobicContact CG-CD2 4.43Å; P470-L615 HydrophobicContact CG-CB 3.93Å; L611-L615 HydrophobicContact CD1-CD1 3.87Å; L611-L615 HydrophobicContact CD1-CG 4.04Å; L611-L615 HydrophobicContact CD2-CD1 4.3Å; L611-L615 HydrophobicContact CG-CD1 3.72Å; L611-L615 HydrophobicContact CG-CG 4.2Å; L611-L615 WeakPolarHBondContact O-CG 3.32Å; L611-L615 PolarHBondContact O-N 3.44Å; I612-L615 PolarHBondContact O-N 3.36Å; I612-L615 VanDerWaalsContact O-N 3.17Å; L615-F618 HydrophobicContact CD2-CD1 4.42Å; L615-F618 PolarHBondContact O-N 3.15Å; L615-Y619 HydrophobicContact CB-CD2 4.13Å; L615-Y619 HydrophobicContact CB-CE2 4.09Å; L615-Y619 HydrophobicContact CD2-CE2 4.15Å; L615-Y619 HydrophobicContact CG-CE2 4.5Å; L615-Y619 WeakPolarHBondContact O-CD2 3.4Å; L615-Y619 PolarHBondContact O-N 2.72Å
616C93.8Very high89.6Confident3 Ų329.2 Ų29.22%0.0216%0.156CC..Hα-helixtrans-58-54.9177.8-77.30000113.3P476 I612 N620P476-C616 HydrophobicContact CB-CB 4.28Å; I612-C616 WeakPolarHBondContact CG2-SG 3.49Å; I612-C616 WeakPolarHBondContact O-CB 3.2Å; I612-C616 PolarHBondContact O-N 3.39Å; C616-N620 WeakPolarHBondContact O-CB 3.46Å; C616-N620 VanDerWaalsContact O-CG 3.3Å; C616-N620 PolarHBondContact O-N 2.95Å; C616-N620 VanDerWaalsContact O-N 3.08Å; C616-N620 PolarHBondContact O-OD1 2.72Å
617P92.1Very high88.4Confident7 Ų731.3 Ų31.35%0.04517%0.169CC..Hα-helixtrans-68.5-33.4176.426-33.3000112.9P476 E613 V614 N620 S621 F626 L631P476-P617 HydrophobicContact CB-CB 4.1Å; P476-P617 HydrophobicContact CG-CB 3.92Å; E613-P617 WeakPolarHBondContact O-CD 3.28Å; E613-P617 WeakPolarHBondContact O-CG 3.44Å; V614-P617 VanDerWaalsContact O-CD 3.29Å; V614-P617 WeakPolarHBondContact O-CD 3.3Å; V614-P617 WeakPolarHBondContact O-CG 3.43Å; P617-N620 PolarHBondContact O-N 2.98Å; P617-S621 WeakPolarHBondContact O-CB 3.42Å; P617-S621 PolarHBondContact O-N 3.25Å; P617-S621 PolarHBondContact O-OG 2.92Å; P617-F626 HydrophobicContact CB-CD2 3.7Å; P617-F626 HydrophobicContact CB-CE2 3.95Å; P617-F626 HydrophobicContact CB-CG 4.48Å; P617-F626 HydrophobicContact CG-CD2 3.92Å; P617-F626 HydrophobicContact CG-CE2 3.6Å; P617-F626 HydrophobicContact CG-CZ 4.37Å; P617-L631 HydrophobicContact CG-CD2 4.35Å
618F92.3Very high87.2Confident1 Ų135.2 Ų35.20%0.00419%0.193CC..Hα-helixtrans-58.2-52.2174.8174.2-112.1000112P370 L429 H432 L433 V614 L615 N620 S621 N622 S623 F626P370-F618 HydrophobicContact CB-CD2 4.4Å; P370-F618 HydrophobicContact CG-CD2 3.59Å; P370-F618 HydrophobicContact CG-CE2 3.71Å; P370-F618 HydrophobicContact CG-CG 4.03Å; P370-F618 HydrophobicContact CG-CZ 4.23Å; L429-F618 HydrophobicContact CD1-CD1 4.24Å; L429-F618 HydrophobicContact CD1-CE1 3.74Å; L429-F618 HydrophobicContact CD1-CZ 4.42Å; H432-F618 AromaticContact CD2-CE1 3.68Å; H432-F618 AromaticContact CD2-CZ 3.75Å; L433-F618 HydrophobicContact CD2-CZ 3.86Å; V614-F618 WeakPolarHBondContact O-CB 3.26Å; V614-F618 PolarHBondContact O-N 2.83Å; V614-F618 VanDerWaalsContact O-N 3.12Å; L615-F618 HydrophobicContact CD2-CD1 4.42Å; L615-F618 PolarHBondContact O-N 3.15Å; F618-N620 VanDerWaalsContact C-N 3.34Å; F618-N620 PolarHBondContact O-N 3.43Å; F618-S621 PolarHBondContact O-N 3.27Å; F618-S621 PolarHBondContact O-OG 2.88Å; F618-S621 VanDerWaalsContact O-OG 3.05Å; F618-N622 PolarHBondContact O-N 3.42Å; F618-S623 VanDerWaalsContact CD2-O 3.27Å; F618-S623 WeakPolarHBondContact CD2-O 3.37Å; F618-F626 HydrophobicContact CB-CD1 4.1Å; F618-F626 HydrophobicContact CB-CE1 3.75Å; F618-F626 HydrophobicContact CB-CZ 4.27Å; F618-F626 HydrophobicContact CD2-CD1 4.11Å; F618-F626 HydrophobicContact CD2-CE1 4.03Å; F618-F626 HydrophobicContact CG-CE1 4.35Å
619Y91.8Very high85.7Confident23 Ų2339 Ų399%0.0922%0.22CC..Hα-helixtrans-70.8-27.1178.3-74.5-62.9000113.7G428 L429 H432 K469 P470 L615G428-Y619 PolarHBondContact O-OH 2.82Å; L429-Y619 VanDerWaalsContact CA-OH 3.22Å; L429-Y619 WeakPolarHBondContact CA-OH 3.37Å; L429-Y619 PolarHBondContact N-OH 3.33Å; L429-Y619 VanDerWaalsContact N-OH 3.17Å; H432-Y619 HydrophobicContact CB-CE1 3.86Å; H432-Y619 AromaticContact CD2-CE1 3.99Å; H432-Y619 AromaticContact CG-CE1 3.65Å; H432-Y619 AromaticContact ND1-CE1 3.87Å; K469-Y619 HydrophobicContact CB-CE2 4.36Å; K469-Y619 HydrophobicContact CD-CE1 3.98Å; K469-Y619 HydrophobicContact CG-CE1 4.32Å; K469-Y619 HydrophobicContact CG-CE2 4.46Å; P470-Y619 HydrophobicContact CG-CD2 4.19Å; P470-Y619 HydrophobicContact CG-CE2 4.46Å; L615-Y619 HydrophobicContact CB-CD2 4.13Å; L615-Y619 HydrophobicContact CB-CE2 4.09Å; L615-Y619 HydrophobicContact CD2-CE2 4.15Å; L615-Y619 HydrophobicContact CG-CE2 4.5Å; L615-Y619 WeakPolarHBondContact O-CD2 3.4Å; L615-Y619 PolarHBondContact O-N 2.72Å
620N88Confident84.2Confident33 Ų3342.6 Ų42.618%0.17624%0.236CC..Hα-helixtrans-73.1-32.1175.3-78.18.6000112.8Y472 T475 S479 C616 P617 F618Y472-N620 HydrophobicContact CD2-CB 4.3Å; Y472-N620 WeakPolarHBondContact CD2-OD1 3.13Å; Y472-N620 HydrophobicContact CE2-CB 4.3Å; T475-N620 VanDerWaalsContact C-ND2 3.35Å; S479-N620 PolarHBondContact OG-OD1 2.88Å; C616-N620 WeakPolarHBondContact O-CB 3.46Å; C616-N620 VanDerWaalsContact O-CG 3.3Å; C616-N620 PolarHBondContact O-N 2.95Å; C616-N620 VanDerWaalsContact O-N 3.08Å; C616-N620 PolarHBondContact O-OD1 2.72Å; P617-N620 PolarHBondContact O-N 2.98Å; F618-N620 VanDerWaalsContact C-N 3.34Å; F618-N620 PolarHBondContact O-N 3.43Å
621S86.3Confident83.1Confident52 Ų5242.9 Ų42.936%0.36424%0.236SC..Hα-helixtrans-89-24.6-179.561.80000113.9P617 F618 S623 F626P617-S621 WeakPolarHBondContact O-CB 3.42Å; P617-S621 PolarHBondContact O-N 3.25Å; P617-S621 PolarHBondContact O-OG 2.92Å; F618-S621 PolarHBondContact O-N 3.27Å; F618-S621 PolarHBondContact O-OG 2.88Å; F618-S621 VanDerWaalsContact O-OG 3.05Å; S621-S623 PolarHBondContact O-N 3.34Å; S621-S623 PolarHBondContact OG-N 2.97Å; S621-F626 VanDerWaalsContact OG-CB 3.28Å; S621-F626 WeakPolarHBondContact OG-CB 3.38Å
622N78.4Confident82.1Confident119 Ų11951.5 Ų51.564%0.63627%0.269SS*.THydrogen-bonded Turntrans52.529.1-167.2-85.3-18.3000113F618F618-N622 PolarHBondContact O-N 3.42Å
623S76.1Confident81.5Confident49 Ų4952 Ų5234%0.34327%0.271SS..SBendtrans-127.6144.9179.9177.90000110.9F618 S621 E625F618-S623 VanDerWaalsContact CD2-O 3.27Å; F618-S623 WeakPolarHBondContact CD2-O 3.37Å; S621-S623 PolarHBondContact O-N 3.34Å; S621-S623 PolarHBondContact OG-N 2.97Å; S623-E625 VanDerWaalsContact CB-O 3.28Å; S623-E625 WeakPolarHBondContact CB-O 3.45Å; S623-E625 PolarHBondContact O-N 2.66Å; S623-E625 PolarHBondContact OG-N 2.77Å; S623-E625 VanDerWaalsContact OG-N 3.09Å; S623-E625 PolarHBondContact OG-O 3.46Å
624N69.7Low81.2Confident76 Ų7653.6 Ų53.641%0.40628%0.284SS..SBendtrans-70.8-23.3170.9-72.5-7.6000112.4
625E73.1Confident81Confident133 Ų13354.3 Ų54.362%0.62129%0.287SS*.SBendtrans-111.3106.6171.8-66.1-169160.700108.1K371 S623K371-E625 IonicContact NZ-OE1 3.02Å; K371-E625 PolarHBondContact NZ-OE1 3.07Å; S623-E625 VanDerWaalsContact CB-O 3.28Å; S623-E625 WeakPolarHBondContact CB-O 3.45Å; S623-E625 PolarHBondContact O-N 2.66Å; S623-E625 PolarHBondContact OG-N 2.77Å; S623-E625 VanDerWaalsContact OG-N 3.09Å; S623-E625 PolarHBondContact OG-O 3.46Å
626F78.5Confident81Confident25 Ų2554.6 Ų54.611%0.1129%0.288CS..  trans-127.1159.8-17857.9-97.4000109.9P370 V614 P617 F618 S621 T628 L631P370-F626 HydrophobicContact CB-CE1 3.85Å; P370-F626 HydrophobicContact CG-CE1 4.42Å; V614-F626 HydrophobicContact CG1-CZ 3.86Å; P617-F626 HydrophobicContact CB-CD2 3.7Å; P617-F626 HydrophobicContact CB-CE2 3.95Å; P617-F626 HydrophobicContact CB-CG 4.48Å; P617-F626 HydrophobicContact CG-CD2 3.92Å; P617-F626 HydrophobicContact CG-CE2 3.6Å; P617-F626 HydrophobicContact CG-CZ 4.37Å; F618-F626 HydrophobicContact CB-CD1 4.1Å; F618-F626 HydrophobicContact CB-CE1 3.75Å; F618-F626 HydrophobicContact CB-CZ 4.27Å; F618-F626 HydrophobicContact CD2-CD1 4.11Å; F618-F626 HydrophobicContact CD2-CE1 4.03Å; F618-F626 HydrophobicContact CG-CE1 4.35Å; S621-F626 VanDerWaalsContact OG-CB 3.28Å; S621-F626 WeakPolarHBondContact OG-CB 3.38Å; F626-T628 PolarHBondContact O-N 2.91Å; F626-T628 VanDerWaalsContact O-N 3.1Å; F626-L631 HydrophobicContact CE2-CD2 3.87Å; F626-L631 HydrophobicContact CZ-CD2 4.43Å
627D71.5Confident81.1Confident95 Ų9560.5 Ų60.551%0.50831%0.31SS..  trans-60.5117.3-179.9-1779.4000110.8S629 H630D627-S629 VanDerWaalsContact C-N 3.31Å; D627-S629 WeakPolarHBondContact OD1-CB 3.47Å; D627-S629 PolarHBondContact OD1-N 3.17Å; D627-S629 PolarHBondContact OD1-OG 3.01Å; D627-S629 PolarHBondContact OD2-OG 3.06Å; D627-H630 IonicContact OD2-CD2 2.92Å; D627-H630 IonicContact OD2-NE2 3.97Å
628T74.1Confident81.2Confident84 Ų8462.3 Ų62.352%0.51532%0.318SS..G310 helixtrans-84.8-6.8-178.255.90000112.8F626 H630 L631F626-T628 PolarHBondContact O-N 2.91Å; F626-T628 VanDerWaalsContact O-N 3.1Å; T628-H630 PolarHBondContact O-N 2.98Å; T628-L631 VanDerWaalsContact CB-CD1 3.44Å; T628-L631 HydrophobicContact CG2-CD1 3.7Å; T628-L631 HydrophobicContact CG2-CG 4.47Å; T628-L631 VanDerWaalsContact O-CB 3.27Å; T628-L631 WeakPolarHBondContact O-CB 3.43Å; T628-L631 VanDerWaalsContact O-CG 3.31Å; T628-L631 WeakPolarHBondContact O-CG 3.46Å; T628-L631 PolarHBondContact O-N 3.02Å; T628-L631 VanDerWaalsContact O-N 3.12Å
629S65.9Low81.4Confident80 Ų8062.8 Ų62.856%0.55932%0.32SS*.G310 helixtrans-59.2-29.4179.175.80000112.7D627D627-S629 VanDerWaalsContact C-N 3.31Å; D627-S629 WeakPolarHBondContact OD1-CB 3.47Å; D627-S629 PolarHBondContact OD1-N 3.17Å; D627-S629 PolarHBondContact OD1-OG 3.01Å; D627-S629 PolarHBondContact OD2-OG 3.06Å
630H65.5Low81.7Confident80 Ų8063.3 Ų63.337%0.3733%0.325SS..G310 helixtrans-92.87.6-178.8-63-76.8000114.3E477 D627 T628 R632E477-H630 IonicContact OE1-CE1 3.86Å; E477-H630 IonicContact OE1-CG 3.94Å; E477-H630 IonicContact OE1-ND1 3.03Å; E477-H630 PolarHBondContact OE1-ND1 3.23Å; D627-H630 IonicContact OD2-CD2 2.92Å; D627-H630 IonicContact OD2-NE2 3.97Å; T628-H630 PolarHBondContact O-N 2.98Å; H630-R632 VanDerWaalsContact C-N 3.32Å; H630-R632 PolarHBondContact O-N 3.37Å
631L72.9Confident82.1Confident13 Ų1361.8 Ų61.87%0.06832%0.317CS..  trans-71.7-19-174.2-80.4174.5000115.3E372 R376 E613 V614 P617 F626 T628E372-L631 HydrophobicContact CB-CD1 4.32Å; E372-L631 HydrophobicContact CG-CD1 3.5Å; E372-L631 HydrophobicContact CG-CD2 3.92Å; E372-L631 HydrophobicContact CG-CG 4.37Å; R376-L631 PolarHBondContact NH2-O 3.11Å; E613-L631 VanDerWaalsContact CB-O 3.31Å; E613-L631 WeakPolarHBondContact CB-O 3.4Å; E613-L631 WeakPolarHBondContact CG-O 3.45Å; E613-L631 WeakPolarHBondContact O-CD2 3.44Å; V614-L631 HydrophobicContact CG2-CD2 4.11Å; P617-L631 HydrophobicContact CG-CD2 4.35Å; F626-L631 HydrophobicContact CE2-CD2 3.87Å; F626-L631 HydrophobicContact CZ-CD2 4.43Å; T628-L631 VanDerWaalsContact CB-CD1 3.44Å; T628-L631 HydrophobicContact CG2-CD1 3.7Å; T628-L631 HydrophobicContact CG2-CG 4.47Å; T628-L631 VanDerWaalsContact O-CB 3.27Å; T628-L631 WeakPolarHBondContact O-CB 3.43Å; T628-L631 VanDerWaalsContact O-CG 3.31Å; T628-L631 WeakPolarHBondContact O-CG 3.46Å; T628-L631 PolarHBondContact O-N 3.02Å; T628-L631 VanDerWaalsContact O-N 3.12Å
632R75Confident82.6Confident185 Ų18560.1 Ų60.170%0.69830%0.303SS*.SBendtrans-101.7104.1173.4-75.1-160.3-174.7-148.68.6108.6E613 H630E613-R632 WeakPolarHBondContact OE1-CA 3.41Å; H630-R632 VanDerWaalsContact C-N 3.32Å; H630-R632 PolarHBondContact O-N 3.37Å
633N83.9Confident83.5Confident9 Ų955 Ų555%0.04828%0.276CS..  trans-59.3133.817688.290.1000108.9F480 V609 E613 F635 I636F480-N633 HydrophobicContact CD1-CB 4.32Å; F480-N633 HydrophobicContact CD2-CB 4.03Å; F480-N633 HydrophobicContact CE1-CB 4.13Å; F480-N633 HydrophobicContact CE2-CB 3.84Å; F480-N633 HydrophobicContact CG-CB 4.28Å; F480-N633 HydrophobicContact CZ-CB 3.89Å; F480-N633 VanDerWaalsContact CZ-CG 3.41Å; V609-N633 WeakPolarHBondContact CG1-ND2 3.45Å; E613-N633 HydrophobicContact CG-CB 4.04Å; E613-N633 PolarHBondContact OE1-N 3.48Å; E613-N633 PolarHBondContact OE1-ND2 3.06Å; N633-F635 HydrophobicContact CB-CD2 4.44Å; N633-F635 PolarHBondContact O-N 3.16Å; N633-F635 PolarHBondContact OD1-N 2.91Å; N633-F635 VanDerWaalsContact OD1-N 3.09Å; N633-I636 PolarHBondContact ND2-O 3.45Å; N633-I636 PolarHBondContact OD1-N 3.17Å
634P86.4Confident84.5Confident58 Ų5853 Ų5338%0.37726%0.261SS..SBendtrans-80.1-0.5-177.530.7-34.3000113.3
635F92.5Very high85.8Confident16 Ų1649.4 Ų49.47%0.0724%0.242CC..SBendtrans-101.9-27.7-166.1-46.7-59.1000113.8E477 F480 L481 L492 K494 V499 Q502 N633E477-F635 HydrophobicContact CB-CE2 3.76Å; E477-F635 HydrophobicContact CB-CZ 3.87Å; E477-F635 HydrophobicContact CG-CE2 4.22Å; E477-F635 HydrophobicContact CG-CZ 4.31Å; F480-F635 AromaticContact CD1-CD2 3.9Å; F480-F635 HydrophobicContact CD1-CD2 3.9Å; F480-F635 HydrophobicContact CE1-CD2 4.33Å; L481-F635 HydrophobicContact CD1-CE1 4.37Å; L481-F635 HydrophobicContact CD1-CE2 3.99Å; L481-F635 HydrophobicContact CD1-CZ 3.78Å; L481-F635 HydrophobicContact CD2-CD1 4.21Å; L481-F635 HydrophobicContact CD2-CD2 3.8Å; L481-F635 HydrophobicContact CD2-CE1 4.27Å; L481-F635 HydrophobicContact CD2-CE2 3.87Å; L481-F635 HydrophobicContact CD2-CG 3.97Å; L481-F635 HydrophobicContact CD2-CZ 4.11Å; L481-F635 HydrophobicContact CG-CD2 4.07Å; L481-F635 HydrophobicContact CG-CE2 3.69Å; L481-F635 HydrophobicContact CG-CZ 3.99Å; L492-F635 HydrophobicContact CD1-CB 4.21Å; K494-F635 HydrophobicContact CB-CD1 4.34Å; K494-F635 HydrophobicContact CB-CE1 4Å; K494-F635 HydrophobicContact CG-CE1 4.08Å; V499-F635 VanDerWaalsContact CG1-O 3.23Å; V499-F635 WeakPolarHBondContact CG1-O 3.22Å; Q502-F635 PolarHBondContact NE2-O 3Å; N633-F635 HydrophobicContact CB-CD2 4.44Å; N633-F635 PolarHBondContact O-N 3.16Å; N633-F635 PolarHBondContact OD1-N 2.91Å; N633-F635 VanDerWaalsContact OD1-N 3.09Å
636I94.2Very high87Confident5 Ų543.5 Ų43.53%0.02622%0.215CC..  trans-133124-176.9-55.1179.9000109.6F480 F484 L492 I506 V609 N633 F638F480-I636 HydrophobicContact CE1-CD1 3.9Å; F480-I636 HydrophobicContact CE1-CG1 4.27Å; F480-I636 HydrophobicContact CZ-CD1 4Å; F480-I636 HydrophobicContact CZ-CG1 4.49Å; F484-I636 HydrophobicContact CD1-CD1 4.12Å; F484-I636 HydrophobicContact CE1-CD1 3.45Å; F484-I636 VanDerWaalsContact CE1-CD1 3.45Å; F484-I636 HydrophobicContact CE2-CD1 3.92Å; F484-I636 HydrophobicContact CZ-CD1 3.35Å; L492-I636 HydrophobicContact CD1-CD1 3.85Å; L492-I636 HydrophobicContact CD1-CG1 4.12Å; L492-I636 HydrophobicContact CD2-CD1 4Å; L492-I636 HydrophobicContact CD2-CG1 4.22Å; I506-I636 HydrophobicContact CD1-CD1 3.61Å; I506-I636 HydrophobicContact CD1-CG1 3.73Å; I506-I636 HydrophobicContact CD1-CG2 4.48Å; V609-I636 HydrophobicContact CG2-CD1 4.14Å; V609-I636 HydrophobicContact CG2-CG2 4.3Å; N633-I636 PolarHBondContact ND2-O 3.45Å; N633-I636 PolarHBondContact OD1-N 3.17Å; I636-F638 HydrophobicContact CG2-CD2 4.48Å; I636-F638 HydrophobicContact CG2-CE1 3.96Å; I636-F638 HydrophobicContact CG2-CE2 3.78Å; I636-F638 HydrophobicContact CG2-CZ 3.48Å; I636-F638 VanDerWaalsContact CG2-CZ 3.48Å
637R94.5Very high87.9Confident127 Ų12742.6 Ų42.648%0.47921%0.212SC..  trans-130.4154.5167.1-70.6-175.2177.6-177.6-0.3108.7V499 E500 G503V499-R637 HydrophobicContact CB-CB 4.3Å; V499-R637 HydrophobicContact CB-CG 4.29Å; V499-R637 HydrophobicContact CG1-CB 4.1Å; V499-R637 HydrophobicContact CG1-CG 3.97Å; E500-R637 WeakPolarHBondContact CA-O 3.44Å; E500-R637 HydrophobicContact CG-CB 3.91Å; E500-R637 WeakPolarHBondContact OE1-CD 3.47Å; E500-R637 IonicContact OE1-NH1 3.8Å; G503-R637 WeakPolarHBondContact CA-O 3.45Å
638F95.6Very high89Confident46 Ų4638.1 Ų38.120%0.20219%0.188CC..  trans-116.9134.6-178.7-58.6-81.6000109.3L605 K606 V609 I636L605-F638 HydrophobicContact CD2-CE1 3.78Å; L605-F638 HydrophobicContact CD2-CZ 4.26Å; L605-F638 HydrophobicContact CG-CE1 3.83Å; L605-F638 HydrophobicContact CG-CZ 3.86Å; K606-F638 HydrophobicContact CD-CB 4.18Å; K606-F638 HydrophobicContact CD-CD2 4.41Å; K606-F638 HydrophobicContact CD-CG 4.16Å; K606-F638 HydrophobicContact CG-CB 4.26Å; K606-F638 HydrophobicContact CG-CD1 3.98Å; K606-F638 HydrophobicContact CG-CD2 3.66Å; K606-F638 HydrophobicContact CG-CE1 4.23Å; K606-F638 HydrophobicContact CG-CE2 3.91Å; K606-F638 HydrophobicContact CG-CG 3.68Å; K606-F638 HydrophobicContact CG-CZ 4.18Å; V609-F638 HydrophobicContact CB-CE2 4.05Å; V609-F638 HydrophobicContact CB-CZ 4.27Å; V609-F638 HydrophobicContact CG1-CE2 4.18Å; V609-F638 HydrophobicContact CG2-CE2 4.04Å; V609-F638 HydrophobicContact CG2-CZ 3.8Å; I636-F638 HydrophobicContact CG2-CD2 4.48Å; I636-F638 HydrophobicContact CG2-CE1 3.96Å; I636-F638 HydrophobicContact CG2-CE2 3.78Å; I636-F638 HydrophobicContact CG2-CZ 3.48Å; I636-F638 VanDerWaalsContact CG2-CZ 3.48Å
639Y96.8Very high90Very high11 Ų1135.6 Ų35.64%0.04317%0.17CC..  trans-55146.5158.3-67.4-69.5000109.4E500 I501 L504 T538 N542 L641 M643 L644E500-Y639 HydrophobicContact CB-CD1 4.16Å; E500-Y639 HydrophobicContact CB-CD2 4.14Å; E500-Y639 HydrophobicContact CB-CE1 3.74Å; E500-Y639 HydrophobicContact CB-CE2 3.74Å; E500-Y639 HydrophobicContact CB-CG 4.34Å; E500-Y639 HydrophobicContact CG-CE1 4.33Å; E500-Y639 WeakPolarHBondContact O-CE2 3.29Å; I501-Y639 WeakPolarHBondContact CG1-OH 3.35Å; L504-Y639 HydrophobicContact CB-CE2 4.44Å; L504-Y639 HydrophobicContact CD2-CE2 4.45Å; T538-Y639 HydrophobicContact CG2-CD2 3.6Å; T538-Y639 HydrophobicContact CG2-CE2 3.95Å; T538-Y639 HydrophobicContact CG2-CG 3.99Å; N542-Y639 HydrophobicContact CB-CD1 4.32Å; N542-Y639 HydrophobicContact CB-CE1 3.78Å; N542-Y639 VanDerWaalsContact CG-CE1 3.49Å; N542-Y639 WeakPolarHBondContact OD1-CE1 3.37Å; Y639-L641 PolarHBondContact O-N 3.02Å; Y639-M643 HydrophobicContact CD1-SD 3.72Å; Y639-M643 HydrophobicContact CE1-SD 4.48Å; Y639-M643 HydrophobicContact CG-SD 4.38Å; Y639-L644 HydrophobicContact CD2-CD2 4.28Å; Y639-L644 WeakPolarHBondContact O-CD1 3.33Å
640P96.5Very high91.5Very high33 Ų3332 Ų3221%0.21414%0.144CC..  trans-53.1143170.8-24.633.9000110.7W642 M643 L644P640-W642 HydrophobicContact CB-CD2 4.27Å; P640-W642 HydrophobicContact CB-CG 4.17Å; P640-W642 HydrophobicContact CB-CZ2 4.34Å; P640-W642 VanDerWaalsContact CB-NE1 3.27Å; P640-W642 HydrophobicContact CG-CZ2 4.36Å; P640-W642 PolarHBondContact O-N 3.2Å; P640-M643 HydrophobicContact CB-CB 4.25Å; P640-M643 HydrophobicContact CG-CE 4.43Å; P640-M643 WeakPolarHBondContact O-CA 3.41Å; P640-M643 VanDerWaalsContact O-CB 3.26Å; P640-M643 WeakPolarHBondContact O-CB 3.28Å; P640-M643 PolarHBondContact O-N 3.31Å; P640-L644 PolarHBondContact O-N 2.95Å
641L98Very high93Very high1 Ų128.4 Ų28.41%0.00513%0.128CC..Hα-helixtrans-63.9-33.6-178.2-70.7166.9000111.6L124 N127 V128 E131 A602 K606 Y639 M643 L644 F645L124-L641 HydrophobicContact CD1-CB 4.21Å; L124-L641 HydrophobicContact CD1-CD2 4.05Å; L124-L641 HydrophobicContact CD2-CD1 4.21Å; N127-L641 HydrophobicContact CB-CD1 3.44Å; N127-L641 VanDerWaalsContact CB-CD1 3.44Å; V128-L641 HydrophobicContact CG2-CB 4.05Å; E131-L641 VanDerWaalsContact CD-N 3.3Å; E131-L641 WeakPolarHBondContact OE1-CG 3.47Å; E131-L641 PolarHBondContact OE1-N 3.31Å; E131-L641 PolarHBondContact OE2-N 2.95Å; A602-L641 HydrophobicContact CB-CD2 3.83Å; K606-L641 HydrophobicContact CD-CD1 4.26Å; K606-L641 HydrophobicContact CD-CD2 4.25Å; K606-L641 HydrophobicContact CD-CG 4.23Å; Y639-L641 PolarHBondContact O-N 3.02Å; L641-M643 PolarHBondContact O-N 3.13Å; L641-L644 HydrophobicContact CD2-CD1 4.16Å; L641-L644 PolarHBondContact O-N 2.86Å; L641-F645 HydrophobicContact CD2-CD2 4.31Å; L641-F645 HydrophobicContact CD2-CE2 4.01Å; L641-F645 PolarHBondContact O-N 3.33Å
642W96.5Very high94Very high17 Ų1728.1 Ų28.16%0.06413%0.127CC..Hα-helixtrans-65.4-19.2172.267.6-100.6000113.4L53 K56 V128 E131 E135 M541 P640 A646L53-W642 HydrophobicContact CD1-CE3 3.83Å; L53-W642 HydrophobicContact CD1-CZ3 3.84Å; K56-W642 HydrophobicContact CD-CD2 3.58Å; K56-W642 HydrophobicContact CD-CE3 3.73Å; K56-W642 HydrophobicContact CD-CG 4.02Å; K56-W642 HydrophobicContact CD-CH2 4.3Å; K56-W642 HydrophobicContact CD-CZ2 4.15Å; K56-W642 HydrophobicContact CD-CZ3 4.09Å; V128-W642 HydrophobicContact CG1-CB 3.81Å; V128-W642 HydrophobicContact CG2-CB 4.15Å; E131-W642 VanDerWaalsContact OE2-CD1 3.27Å; E131-W642 PolarHBondContact OE2-N 3.04Å; E135-W642 PolarHBondContact OE1-NE1 3.32Å; M541-W642 HydrophobicContact CE-CE3 4.46Å; M541-W642 HydrophobicContact CE-CZ3 3.77Å; P640-W642 HydrophobicContact CB-CD2 4.27Å; P640-W642 HydrophobicContact CB-CG 4.17Å; P640-W642 HydrophobicContact CB-CZ2 4.34Å; P640-W642 VanDerWaalsContact CB-NE1 3.27Å; P640-W642 HydrophobicContact CG-CZ2 4.36Å; P640-W642 PolarHBondContact O-N 3.2Å; W642-A646 WeakPolarHBondContact O-CA 3.44Å; W642-A646 WeakPolarHBondContact O-CB 3.39Å; W642-A646 PolarHBondContact O-N 3.37Å
643M96.1Very high94.9Very high13 Ų1319.6 Ų19.66%0.06410%0.095CC..Hα-helixtrans-88.5-46.9175.7-171.9-178.6-66.700111.1M541 N542 C545 Y639 P640 L641 F645 A646M541-M643 HydrophobicContact CB-CG 3.99Å; M541-M643 HydrophobicContact CG-CB 4.44Å; M541-M643 HydrophobicContact CG-CG 3.52Å; N542-M643 HydrophobicContact CB-SD 3.81Å; C545-M643 HydrophobicContact CB-CE 4.25Å; Y639-M643 HydrophobicContact CD1-SD 3.72Å; Y639-M643 HydrophobicContact CE1-SD 4.48Å; Y639-M643 HydrophobicContact CG-SD 4.38Å; P640-M643 HydrophobicContact CB-CB 4.25Å; P640-M643 HydrophobicContact CG-CE 4.43Å; P640-M643 WeakPolarHBondContact O-CA 3.41Å; P640-M643 VanDerWaalsContact O-CB 3.26Å; P640-M643 WeakPolarHBondContact O-CB 3.28Å; P640-M643 PolarHBondContact O-N 3.31Å; L641-M643 PolarHBondContact O-N 3.13Å; M643-F645 VanDerWaalsContact C-N 3.28Å; M643-F645 PolarHBondContact O-N 2.92Å; M643-A646 PolarHBondContact O-N 3.28Å
644L97.2Very high95.5Very high6 Ų619.2 Ų19.23%0.0319%0.092CC..Hα-helixtrans-56-45.4176.2-75.2163.9000111.3L504 L534 T538 Y639 P640 L641L504-L644 HydrophobicContact CD1-CD2 3.88Å; L534-L644 WeakPolarHBondContact CD1-O 3.33Å; T538-L644 HydrophobicContact CG2-CD2 3.6Å; T538-L644 HydrophobicContact CG2-CG 4.45Å; Y639-L644 HydrophobicContact CD2-CD2 4.28Å; Y639-L644 WeakPolarHBondContact O-CD1 3.33Å; P640-L644 PolarHBondContact O-N 2.95Å; L641-L644 HydrophobicContact CD2-CD1 4.16Å; L641-L644 PolarHBondContact O-N 2.86Å
645F97.8Very high95.9Very high1 Ų116.6 Ų16.60%0.0048%0.075CC..THydrogen-bonded Turntrans-112.832-173.9-56.1-72.4000112.1Y52 L124 L534 L595 L598 Q599 A602 L641 M643 S647 L651Y52-F645 HydrophobicContact CD2-CB 3.53Å; Y52-F645 VanDerWaalsContact CD2-O 3.26Å; Y52-F645 WeakPolarHBondContact CD2-O 3.24Å; Y52-F645 HydrophobicContact CE2-CB 3.79Å; L124-F645 HydrophobicContact CD1-CD2 3.32Å; L124-F645 HydrophobicContact CD1-CE2 3.67Å; L124-F645 HydrophobicContact CD1-CG 4.11Å; L534-F645 HydrophobicContact CD1-CD1 3.92Å; L534-F645 HydrophobicContact CD1-CE1 3.79Å; L534-F645 HydrophobicContact CD2-CE1 4.13Å; L595-F645 HydrophobicContact CD1-CD1 3.73Å; L595-F645 HydrophobicContact CD1-CE1 3.92Å; L598-F645 HydrophobicContact CB-CE1 4.04Å; L598-F645 HydrophobicContact CB-CZ 4.19Å; Q599-F645 HydrophobicContact CB-CE2 4.46Å; Q599-F645 HydrophobicContact CB-CZ 4.32Å; Q599-F645 HydrophobicContact CG-CD1 3.72Å; Q599-F645 HydrophobicContact CG-CD2 3.97Å; Q599-F645 HydrophobicContact CG-CE1 3.64Å; Q599-F645 HydrophobicContact CG-CE2 3.91Å; Q599-F645 HydrophobicContact CG-CG 3.87Å; Q599-F645 HydrophobicContact CG-CZ 3.74Å; A602-F645 HydrophobicContact CB-CE2 3.94Å; A602-F645 HydrophobicContact CB-CZ 4.18Å; L641-F645 HydrophobicContact CD2-CD2 4.31Å; L641-F645 HydrophobicContact CD2-CE2 4.01Å; L641-F645 PolarHBondContact O-N 3.33Å; M643-F645 VanDerWaalsContact C-N 3.28Å; M643-F645 PolarHBondContact O-N 2.92Å; F645-S647 PolarHBondContact O-N 2.88Å; F645-L651 HydrophobicContact CD1-CD1 4.41Å
646A97.2Very high95.9Very high8 Ų817 Ų177%0.0668%0.077CC..SBendtrans-45.2-43.6-170.300000115.2Y52 L53 M541 L568 W642 M643Y52-A646 PolarHBondContact N-O 3.27Å; L53-A646 HydrophobicContact CB-CB 4.07Å; L53-A646 WeakPolarHBondContact CB-O 3.4Å; L53-A646 PolarHBondContact N-O 3.17Å; M541-A646 HydrophobicContact CG-CB 4.24Å; M541-A646 HydrophobicContact SD-CB 4.19Å; L568-A646 HydrophobicContact CD1-CB 3.92Å; W642-A646 WeakPolarHBondContact O-CA 3.44Å; W642-A646 WeakPolarHBondContact O-CB 3.39Å; W642-A646 PolarHBondContact O-N 3.37Å; M643-A646 PolarHBondContact O-N 3.28Å
647S97.3Very high95.9Very high6 Ų617.5 Ų17.54%0.0428%0.079CC..  trans-140.8112.3172.4176.90000111.1E51 F645 R649 L650 L651E51-S647 PolarHBondContact OE1-OG 3.44Å; E51-S647 VanDerWaalsContact OE2-CA 3.31Å; E51-S647 WeakPolarHBondContact OE2-CA 3.34Å; E51-S647 WeakPolarHBondContact OE2-CB 3.4Å; E51-S647 PolarHBondContact OE2-OG 3Å; F645-S647 PolarHBondContact O-N 2.88Å; S647-R649 VanDerWaalsContact C-N 3.27Å; S647-R649 PolarHBondContact O-N 3.11Å; S647-L650 PolarHBondContact O-N 3.3Å; S647-L650 PolarHBondContact OG-N 2.95Å; S647-L651 WeakPolarHBondContact O-CG 3.46Å; S647-L651 PolarHBondContact O-N 3.33Å; S647-L651 VanDerWaalsContact O-N 3.15Å
648G96Very high95.9Very high1 Ų111.5 Ų11.51%0.016%0.056CC..Hα-helixtrans-60.2-39172.600000111.7Y48 G50 L650 L651 C652Y48-G648 WeakPolarHBondContact O-CA 3.34Å; G50-G648 WeakPolarHBondContact O-CA 3.5Å; G50-G648 PolarHBondContact O-N 3.43Å; G648-L650 PolarHBondContact O-N 3.43Å; G648-L651 PolarHBondContact O-N 3.31Å; G648-C652 WeakPolarHBondContact O-CB 3.47Å; G648-C652 PolarHBondContact O-N 2.93Å; G648-C652 PolarHBondContact O-SG 2.94Å
649R94.6Very high95.7Very high31 Ų3111.1 Ų11.112%0.1176%0.055CC..Hα-helixtrans-59.5-47.8176.9-174.7175.775.9102.9-9112.2Y48 E51 D569 A572 D573 S647 C652 W653Y48-R649 HydrophobicContact CD2-CB 3.77Å; Y48-R649 HydrophobicContact CD2-CG 4.03Å; Y48-R649 HydrophobicContact CE2-CB 4.13Å; Y48-R649 HydrophobicContact CE2-CG 3.85Å; Y48-R649 HydrophobicContact CG-CB 4.01Å; Y48-R649 HydrophobicContact CG-CG 4.48Å; E51-R649 WeakPolarHBondContact OE1-CB 3.5Å; E51-R649 PolarHBondContact OE1-N 3.38Å; D569-R649 VanDerWaalsContact CA-NH2 3.32Å; D569-R649 PolarHBondContact O-NH2 2.96Å; D569-R649 VanDerWaalsContact O-NH2 3.1Å; D569-R649 IonicContact OD1-CZ 3.59Å; D569-R649 IonicContact OD1-NE 3.25Å; D569-R649 IonicContact OD1-NH2 3.87Å; D569-R649 PolarHBondContact OD1-NH2 2.98Å; A572-R649 HydrophobicContact CB-CG 4.34Å; D573-R649 IonicContact OD1-CZ 3.94Å; D573-R649 IonicContact OD1-NH1 3.55Å; D573-R649 PolarHBondContact OD1-NH1 2.92Å; D573-R649 IonicContact OD1-NH2 2.67Å; S647-R649 VanDerWaalsContact C-N 3.27Å; S647-R649 PolarHBondContact O-N 3.11Å; R649-C652 PolarHBondContact O-N 3.34Å; R649-W653 PolarHBondContact O-N 3.43Å
650L96.3Very high95.4Very high4 Ų414.4 Ų14.42%0.0217%0.074CC..Hα-helixtrans-60.2-48.1177.2177.761.8000111.5L568 C571 A572 S647 G648 C652 W653 I654 L678L568-L650 HydrophobicContact CB-CD2 4.15Å; L568-L650 HydrophobicContact CD2-CD2 3.83Å; L568-L650 HydrophobicContact CG-CD2 4.39Å; C571-L650 HydrophobicContact CB-CD1 3.73Å; A572-L650 HydrophobicContact CB-CB 4.02Å; A572-L650 HydrophobicContact CB-CD1 3.99Å; S647-L650 PolarHBondContact O-N 3.3Å; S647-L650 PolarHBondContact OG-N 2.95Å; G648-L650 PolarHBondContact O-N 3.43Å; L650-C652 VanDerWaalsContact C-N 3.31Å; L650-C652 PolarHBondContact O-N 3.19Å; L650-W653 PolarHBondContact O-N 3.31Å; L650-I654 HydrophobicContact CD1-CD1 3.72Å; L650-I654 HydrophobicContact CD1-CG1 4.14Å; L650-I654 HydrophobicContact CG-CD1 4.01Å; L650-I654 WeakPolarHBondContact O-CG1 3.18Å; L650-I654 PolarHBondContact O-N 3.44Å; L650-L678 HydrophobicContact CD1-CD2 4.19Å; L650-L678 HydrophobicContact CD2-CD2 3.79Å; L650-L678 HydrophobicContact CG-CD2 4.45Å
651L96.9Very high95.3Very high6 Ų614 Ų143%0.0317%0.071CC..Hα-helixtrans-59-43.5179.2-72.2168.5000111.5A533 L534 C537 L595 F645 S647 G648 S655A533-L651 HydrophobicContact CB-CD2 4.32Å; A533-L651 WeakPolarHBondContact O-CD2 3.32Å; L534-L651 HydrophobicContact CB-CD2 4.37Å; L534-L651 HydrophobicContact CD1-CD1 4.24Å; L534-L651 HydrophobicContact CD1-CD2 4.33Å; C537-L651 HydrophobicContact CB-CD2 3.68Å; L595-L651 HydrophobicContact CD1-CB 4.49Å; L595-L651 HydrophobicContact CD1-CD1 3.71Å; L595-L651 HydrophobicContact CD2-CB 4.32Å; L595-L651 HydrophobicContact CD2-CD1 4.34Å; F645-L651 HydrophobicContact CD1-CD1 4.41Å; S647-L651 WeakPolarHBondContact O-CG 3.46Å; S647-L651 PolarHBondContact O-N 3.33Å; S647-L651 VanDerWaalsContact O-N 3.15Å; G648-L651 PolarHBondContact O-N 3.31Å; L651-S655 VanDerWaalsContact O-CB 3.3Å; L651-S655 WeakPolarHBondContact O-CB 3.5Å; L651-S655 PolarHBondContact O-N 3.23Å; L651-S655 PolarHBondContact O-OG 2.87Å
652C94.8Very high95.1Very high7 Ų718.4 Ų18.45%0.0479%0.094CC..Hα-helixtrans-61.7-48.8177.3-69.50000111.7Y48 G648 R649 L650 S655 R656Y48-C652 HydrophobicContact CD1-CB 3.9Å; Y48-C652 HydrophobicContact CE1-CB 4.35Å; G648-C652 WeakPolarHBondContact O-CB 3.47Å; G648-C652 PolarHBondContact O-N 2.93Å; G648-C652 PolarHBondContact O-SG 2.94Å; R649-C652 PolarHBondContact O-N 3.34Å; L650-C652 VanDerWaalsContact C-N 3.31Å; L650-C652 PolarHBondContact O-N 3.19Å; C652-S655 WeakPolarHBondContact O-CB 3.17Å; C652-S655 PolarHBondContact O-N 3.07Å; C652-R656 WeakPolarHBondContact O-CG 3.42Å; C652-R656 PolarHBondContact O-N 3.33Å
653W94.3Very high95.1Very high6 Ų620.4 Ų20.42%0.02311%0.109CC..Hα-helixtrans-69.5-36.8-176.9-71.3117.6000113.6A575 K576 Y579 Y580 R649 L650 S655 R656 L657A575-W653 HydrophobicContact CB-CB 3.75Å; K576-W653 HydrophobicContact CB-CD2 3.7Å; K576-W653 HydrophobicContact CB-CE3 4.15Å; K576-W653 HydrophobicContact CB-CG 3.89Å; K576-W653 HydrophobicContact CB-CZ2 4.42Å; K576-W653 HydrophobicContact CD-CD2 4.5Å; K576-W653 HydrophobicContact CD-CH2 4.47Å; K576-W653 HydrophobicContact CD-CZ2 3.78Å; K576-W653 HydrophobicContact CG-CD2 3.92Å; K576-W653 HydrophobicContact CG-CE3 4.17Å; K576-W653 HydrophobicContact CG-CH2 4.05Å; K576-W653 HydrophobicContact CG-CZ2 3.75Å; K576-W653 HydrophobicContact CG-CZ3 4.24Å; Y579-W653 HydrophobicContact CD1-CE3 4.21Å; Y579-W653 AromaticContact CD1-CZ3 3.66Å; Y579-W653 HydrophobicContact CD1-CZ3 3.66Å; Y579-W653 HydrophobicContact CE1-CZ3 4.16Å; Y579-W653 HydrophobicContact CG-CZ3 4.41Å; Y580-W653 AromaticContact CE1-CH2 3.7Å; Y580-W653 HydrophobicContact CE1-CH2 3.7Å; Y580-W653 AromaticContact CE1-CZ3 3.81Å; Y580-W653 HydrophobicContact CE1-CZ3 3.81Å; Y580-W653 AromaticContact CZ-CH2 3.92Å; Y580-W653 WeakPolarHBondContact OH-CH2 3.47Å; R649-W653 PolarHBondContact O-N 3.43Å; L650-W653 PolarHBondContact O-N 3.31Å; W653-S655 VanDerWaalsContact C-N 3.34Å; W653-R656 HydrophobicContact CE3-CB 4.28Å; W653-R656 HydrophobicContact CE3-CG 4.18Å; W653-R656 HydrophobicContact CZ3-CG 4.35Å; W653-R656 PolarHBondContact O-N 3.18Å; W653-L657 WeakPolarHBondContact O-CG 3.46Å; W653-L657 PolarHBondContact O-N 3.48Å; W653-L657 VanDerWaalsContact O-N 3.08Å
654I95.7Very high95.1Very high0 Ų023.4 Ų23.40%013%0.131CC..Hα-helixtrans-64-43.5171.6-67.4176.9000110A533 A575 L650 R656 L657 L658 W674 L678A533-I654 HydrophobicContact CB-CB 4.1Å; A533-I654 HydrophobicContact CB-CG2 3.72Å; A575-I654 HydrophobicContact CB-CG1 4.32Å; L650-I654 HydrophobicContact CD1-CD1 3.72Å; L650-I654 HydrophobicContact CD1-CG1 4.14Å; L650-I654 HydrophobicContact CG-CD1 4.01Å; L650-I654 WeakPolarHBondContact O-CG1 3.18Å; L650-I654 PolarHBondContact O-N 3.44Å; I654-R656 PolarHBondContact O-N 3.42Å; I654-L657 PolarHBondContact O-N 2.83Å; I654-L658 HydrophobicContact CG2-CD1 3.92Å; I654-L658 HydrophobicContact CG2-CG 4.37Å; I654-L658 VanDerWaalsContact O-CG 3.31Å; I654-L658 WeakPolarHBondContact O-CG 3.29Å; I654-L658 PolarHBondContact O-N 3.33Å; I654-W674 HydrophobicContact CD1-CE3 4.07Å; I654-W674 HydrophobicContact CG1-CD2 4.35Å; I654-W674 HydrophobicContact CG1-CE3 4.04Å; I654-W674 HydrophobicContact CG1-CZ3 4.4Å; I654-L678 HydrophobicContact CD1-CD1 4.24Å; I654-L678 HydrophobicContact CD1-CD2 4.15Å
655S95.5Very high95.1Very high3 Ų327.9 Ų27.92%0.02115%0.152CC..Hα-helixtrans-59.6-44.9176.8-57.20000111.8V530 A533 L651 C652 W653 L657 L658 Q659V530-S655 WeakPolarHBondContact CA-OG 3.46Å; A533-S655 WeakPolarHBondContact CB-OG 3.24Å; L651-S655 VanDerWaalsContact O-CB 3.3Å; L651-S655 WeakPolarHBondContact O-CB 3.5Å; L651-S655 PolarHBondContact O-N 3.23Å; L651-S655 PolarHBondContact O-OG 2.87Å; C652-S655 WeakPolarHBondContact O-CB 3.17Å; C652-S655 PolarHBondContact O-N 3.07Å; W653-S655 VanDerWaalsContact C-N 3.34Å; S655-L657 VanDerWaalsContact C-N 3.33Å; S655-L657 PolarHBondContact O-N 2.98Å; S655-L658 PolarHBondContact O-N 3.43Å; S655-Q659 WeakPolarHBondContact O-CG 3.5Å; S655-Q659 PolarHBondContact O-N 3.47Å
656R92.6Very high95Very high26 Ų2628.8 Ų28.810%0.09816%0.156CC..Hα-helixtrans-57.3-44175.9-74.8-58.3-56.8137.61112.5Y579 D591 C652 W653 I654 Q659Y579-R656 HydrophobicContact CD2-CB 4.13Å; Y579-R656 HydrophobicContact CE2-CB 4.25Å; Y579-R656 HydrophobicContact CG-CB 4.5Å; Y579-R656 PolarHBondContact OH-NH2 3.21Å; D591-R656 WeakPolarHBondContact OD2-CD 3.45Å; D591-R656 IonicContact OD2-NH1 3.97Å; C652-R656 WeakPolarHBondContact O-CG 3.42Å; C652-R656 PolarHBondContact O-N 3.33Å; W653-R656 HydrophobicContact CE3-CB 4.28Å; W653-R656 HydrophobicContact CE3-CG 4.18Å; W653-R656 HydrophobicContact CZ3-CG 4.35Å; W653-R656 PolarHBondContact O-N 3.18Å; I654-R656 PolarHBondContact O-N 3.42Å; R656-Q659 PolarHBondContact O-N 3.1Å
657L93.5Very high95.1Very high15 Ų1529.7 Ų29.78%0.07916%0.158CC..Hα-helixtrans-62.7-46.8176.9-76.7173.6000111.7A575 V578 Y579 W653 I654 S655 Q659 N660 V661 W674A575-L657 HydrophobicContact CB-CD1 3.8Å; A575-L657 WeakPolarHBondContact O-CD1 2.87Å; V578-L657 HydrophobicContact CB-CD2 4.2Å; V578-L657 HydrophobicContact CG1-CD2 3.79Å; Y579-L657 HydrophobicContact CD2-CD2 4.35Å; Y579-L657 HydrophobicContact CG-CD2 4.48Å; W653-L657 WeakPolarHBondContact O-CG 3.46Å; W653-L657 PolarHBondContact O-N 3.48Å; W653-L657 VanDerWaalsContact O-N 3.08Å; I654-L657 PolarHBondContact O-N 2.83Å; S655-L657 VanDerWaalsContact C-N 3.33Å; S655-L657 PolarHBondContact O-N 2.98Å; L657-Q659 VanDerWaalsContact C-N 3.25Å; L657-Q659 PolarHBondContact O-N 3.05Å; L657-N660 PolarHBondContact O-N 3.12Å; L657-N660 VanDerWaalsContact O-N 3.09Å; L657-V661 WeakPolarHBondContact O-CG2 3.37Å; L657-W674 HydrophobicContact CD1-CH2 3.67Å; L657-W674 HydrophobicContact CD1-CZ2 3.12Å
658L94.8Very high95Very high0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-66.1-27.7-179-65.1173.2000112.8P529 L532 I654 S655 N660 V661 R666 V670P529-L658 HydrophobicContact CB-CB 3.91Å; L532-L658 HydrophobicContact CB-CD1 3.97Å; L532-L658 HydrophobicContact CD1-CD1 4.4Å; I654-L658 HydrophobicContact CG2-CD1 3.92Å; I654-L658 HydrophobicContact CG2-CG 4.37Å; I654-L658 VanDerWaalsContact O-CG 3.31Å; I654-L658 WeakPolarHBondContact O-CG 3.29Å; I654-L658 PolarHBondContact O-N 3.33Å; S655-L658 PolarHBondContact O-N 3.43Å; L658-N660 PolarHBondContact O-N 3.08Å; L658-V661 WeakPolarHBondContact O-CB 3.06Å; L658-V661 PolarHBondContact O-N 3.42Å; L658-V661 VanDerWaalsContact O-N 3.15Å; L658-R666 WeakPolarHBondContact O-CD 3.3Å; L658-R666 PolarHBondContact O-NE 2.77Å; L658-V670 HydrophobicContact CD1-CG2 3.42Å; L658-V670 VanDerWaalsContact CD1-CG2 3.42Å; L658-V670 HydrophobicContact CD2-CG2 3.4Å; L658-V670 VanDerWaalsContact CD2-CG2 3.4Å; L658-V670 HydrophobicContact CG-CG2 4.01Å
659Q92.2Very high95Very high38 Ų3836 Ų3618%0.17819%0.186CC..Hα-helixtrans-60-32172.9-76.2-164.819.800112.9P529 D591 S655 R656 L657 V661 R666P529-Q659 HydrophobicContact CB-CG 3.94Å; P529-Q659 HydrophobicContact CG-CG 3.76Å; D591-Q659 PolarHBondContact OD1-NE2 3.04Å; D591-Q659 PolarHBondContact OD2-NE2 2.52Å; D591-Q659 VanDerWaalsContact OD2-NE2 3.09Å; S655-Q659 WeakPolarHBondContact O-CG 3.5Å; S655-Q659 PolarHBondContact O-N 3.47Å; R656-Q659 PolarHBondContact O-N 3.1Å; L657-Q659 VanDerWaalsContact C-N 3.25Å; L657-Q659 PolarHBondContact O-N 3.05Å; Q659-V661 VanDerWaalsContact C-N 3.27Å; Q659-V661 PolarHBondContact O-N 3.38Å; Q659-R666 PolarHBondContact O-NH2 3.44Å
660N89.6Confident95.1Very high81 Ų8134.5 Ų34.543%0.43318%0.181SC..THydrogen-bonded Turntrans-85.51.1179.8-70.6-11000113.7Y579 N583 L657 L658Y579-N660 VanDerWaalsContact CE2-ND2 3.32Å; Y579-N660 WeakPolarHBondContact CE2-ND2 3.22Å; N583-N660 VanDerWaalsContact CG-ND2 3.26Å; N583-N660 PolarHBondContact ND2-ND2 3.17Å; N583-N660 VanDerWaalsContact ND2-ND2 3.11Å; N583-N660 PolarHBondContact OD1-ND2 3.33Å; L657-N660 PolarHBondContact O-N 3.12Å; L657-N660 VanDerWaalsContact O-N 3.09Å; L658-N660 PolarHBondContact O-N 3.08Å
661V93.5Very high95.1Very high24 Ų2436.1 Ų36.115%0.14519%0.188CC..SBendtrans-101.1141.7-179.31780000108.1L657 L658 Q659 E665 R666L657-V661 WeakPolarHBondContact O-CG2 3.37Å; L658-V661 WeakPolarHBondContact O-CB 3.06Å; L658-V661 PolarHBondContact O-N 3.42Å; L658-V661 VanDerWaalsContact O-N 3.15Å; Q659-V661 VanDerWaalsContact C-N 3.27Å; Q659-V661 PolarHBondContact O-N 3.38Å; V661-E665 HydrophobicContact CG1-CB 3.98Å; V661-R666 HydrophobicContact CB-CG 3.96Å; V661-R666 HydrophobicContact CG1-CG 3.93Å; V661-R666 PolarHBondContact O-NE 3.14Å; V661-R666 PolarHBondContact O-NH2 3.29Å
662D95.5Very high95Very high94 Ų9439.6 Ų39.650%0.50321%0.206SC..  trans-51.9130.6173.8-175.4-84.7000110S664 E665 R666D662-S664 PolarHBondContact O-N 2.8Å; D662-S664 WeakPolarHBondContact OD1-CB 3.27Å; D662-S664 PolarHBondContact OD1-N 2.86Å; D662-S664 PolarHBondContact OD1-OG 3.43Å; D662-E665 HydrophobicContact CB-CG 4.39Å; D662-E665 PolarHBondContact O-N 3.37Å; D662-R666 WeakPolarHBondContact O-CG 3.22Å; D662-R666 PolarHBondContact O-N 3.46Å
663P96.4Very high94.9Very high58 Ų5842.8 Ų42.838%0.37722%0.223SC..THydrogen-bonded Turntrans-49.4-35.5-177.1-30.235.9000114.8T527 E665T527-P663 HydrophobicContact CG2-CB 4.29Å; T527-P663 VanDerWaalsContact CG2-O 3.3Å; T527-P663 WeakPolarHBondContact CG2-O 3.45Å; P663-E665 VanDerWaalsContact C-N 3.32Å; P663-E665 PolarHBondContact O-N 3.46Å
664S95.4Very high94.9Very high76 Ų7642.8 Ų42.853%0.53122%0.223SC..THydrogen-bonded Turntrans-71.5-24.5-179.565.70000113.7D662D662-S664 PolarHBondContact O-N 2.8Å; D662-S664 WeakPolarHBondContact OD1-CB 3.27Å; D662-S664 PolarHBondContact OD1-N 2.86Å; D662-S664 PolarHBondContact OD1-OG 3.43Å
665E96.7Very high94.9Very high101 Ų10142.8 Ų42.847%0.47222%0.223SC..THydrogen-bonded Turntrans-95.2-16.7-177.3-65.2-56.3144.300113.6V661 D662 P663 F667 H668 Q669V661-E665 HydrophobicContact CG1-CB 3.98Å; D662-E665 HydrophobicContact CB-CG 4.39Å; D662-E665 PolarHBondContact O-N 3.37Å; P663-E665 VanDerWaalsContact C-N 3.32Å; P663-E665 PolarHBondContact O-N 3.46Å; E665-F667 VanDerWaalsContact C-N 3.32Å; E665-F667 PolarHBondContact O-N 3.02Å; E665-H668 PolarHBondContact O-N 3.34Å; E665-H668 VanDerWaalsContact O-N 3.1Å; E665-Q669 PolarHBondContact O-N 3.44Å
666R97.3Very high94.8Very high19 Ų1943.9 Ų43.97%0.07223%0.23CC..Hα-helixtrans-53.4-46-175.1-70.9173.9-173.1171.5-2112.9T527 L532 L658 Q659 V661 D662 H668 Q669 V670T527-R666 VanDerWaalsContact O-CD 3.29Å; T527-R666 WeakPolarHBondContact O-CD 3.43Å; T527-R666 PolarHBondContact O-NH1 3.21Å; L532-R666 HydrophobicContact CD1-CB 3.58Å; L658-R666 WeakPolarHBondContact O-CD 3.3Å; L658-R666 PolarHBondContact O-NE 2.77Å; Q659-R666 PolarHBondContact O-NH2 3.44Å; V661-R666 HydrophobicContact CB-CG 3.96Å; V661-R666 HydrophobicContact CG1-CG 3.93Å; V661-R666 PolarHBondContact O-NE 3.14Å; V661-R666 PolarHBondContact O-NH2 3.29Å; D662-R666 WeakPolarHBondContact O-CG 3.22Å; D662-R666 PolarHBondContact O-N 3.46Å; R666-H668 PolarHBondContact O-N 2.74Å; R666-Q669 PolarHBondContact O-N 2.75Å; R666-V670 WeakPolarHBondContact O-CG2 3.37Å; R666-V670 PolarHBondContact O-N 3.43Å
667F97.4Very high94.9Very high27 Ų2747.8 Ų47.812%0.11825%0.248CC..Hα-helixtrans-60.6-46.6179.9-179.7-92.2000111.8Q526 L532 E665 V670 K671 F696 F700Q526-F667 HydrophobicContact CB-CD2 4.44Å; Q526-F667 HydrophobicContact CG-CD2 4.31Å; L532-F667 HydrophobicContact CD2-CD2 3.96Å; E665-F667 VanDerWaalsContact C-N 3.32Å; E665-F667 PolarHBondContact O-N 3.02Å; F667-V670 PolarHBondContact O-N 3.1Å; F667-K671 HydrophobicContact CE1-CD 4.19Å; F667-K671 WeakPolarHBondContact O-CB 3.35Å; F667-K671 PolarHBondContact O-N 2.91Å; F667-F696 AromaticContact CD2-CE1 3.96Å; F667-F696 HydrophobicContact CD2-CE1 3.96Å; F667-F696 HydrophobicContact CE2-CD1 4.07Å; F667-F696 AromaticContact CE2-CE1 3.46Å; F667-F696 HydrophobicContact CE2-CE1 3.46Å; F667-F696 VanDerWaalsContact CE2-CE1 3.46Å; F667-F696 HydrophobicContact CE2-CZ 4.29Å; F667-F696 HydrophobicContact CZ-CD1 4.1Å; F667-F696 AromaticContact CZ-CE1 3.86Å; F667-F696 HydrophobicContact CZ-CE1 3.86Å; F667-F700 HydrophobicContact CD2-CD1 4.43Å; F667-F700 HydrophobicContact CD2-CD2 4.36Å; F667-F700 HydrophobicContact CD2-CG 4.27Å; F667-F700 HydrophobicContact CE2-CB 3.85Å; F667-F700 HydrophobicContact CE2-CD1 4.18Å; F667-F700 AromaticContact CE2-CD2 3.6Å; F667-F700 HydrophobicContact CE2-CD2 3.6Å; F667-F700 HydrophobicContact CE2-CE2 4.18Å; F667-F700 AromaticContact CE2-CG 3.58Å; F667-F700 HydrophobicContact CE2-CG 3.58Å; F667-F700 HydrophobicContact CZ-CB 4.43Å
668H96.6Very high95Very high86 Ų8647.1 Ų47.140%0.39824%0.244SC..Hα-helixtrans-65.2-43.8-179.7-71.1-64.9000111.7E665 R666 V670 K671 N672E665-H668 PolarHBondContact O-N 3.34Å; E665-H668 VanDerWaalsContact O-N 3.1Å; R666-H668 PolarHBondContact O-N 2.74Å; H668-V670 VanDerWaalsContact C-N 3.34Å; H668-V670 PolarHBondContact O-N 3.02Å; H668-K671 PolarHBondContact O-N 3.47Å; H668-N672 VanDerWaalsContact O-CB 3.27Å; H668-N672 WeakPolarHBondContact O-CB 3.3Å; H668-N672 PolarHBondContact O-N 3.37Å; H668-N672 PolarHBondContact O-ND2 3.41Å
669Q95.5Very high95Very high53 Ų5347.7 Ų47.725%0.24825%0.247CC..Hα-helixtrans-61.9-41.2176.8-173.5172.1-7.600112.1E665 R666 D673 W674E665-Q669 PolarHBondContact O-N 3.44Å; R666-Q669 PolarHBondContact O-N 2.75Å; Q669-D673 HydrophobicContact CG-CB 4.41Å; Q669-D673 WeakPolarHBondContact O-CA 3.33Å; Q669-D673 VanDerWaalsContact O-CB 3.25Å; Q669-D673 WeakPolarHBondContact O-CB 3.31Å; Q669-D673 PolarHBondContact O-N 2.89Å; Q669-W674 PolarHBondContact O-N 3.12Å
670V96.6Very high94.8Very high0 Ų047.3 Ų47.30%025%0.246CC..Iπ-helixtrans-65-47.3176.7171.50000111.4L532 C536 L658 R666 F667 H668 W674 L675 F696L532-V670 HydrophobicContact CB-CG2 4.09Å; L532-V670 HydrophobicContact CD1-CG2 4.35Å; C536-V670 HydrophobicContact CB-CG1 3.38Å; L658-V670 HydrophobicContact CD1-CG2 3.42Å; L658-V670 VanDerWaalsContact CD1-CG2 3.42Å; L658-V670 HydrophobicContact CD2-CG2 3.4Å; L658-V670 VanDerWaalsContact CD2-CG2 3.4Å; L658-V670 HydrophobicContact CG-CG2 4.01Å; R666-V670 WeakPolarHBondContact O-CG2 3.37Å; R666-V670 PolarHBondContact O-N 3.43Å; F667-V670 PolarHBondContact O-N 3.1Å; H668-V670 VanDerWaalsContact C-N 3.34Å; H668-V670 PolarHBondContact O-N 3.02Å; V670-W674 PolarHBondContact O-N 3.38Å; V670-L675 WeakPolarHBondContact O-CB 3.48Å; V670-L675 PolarHBondContact O-N 2.92Å; V670-F696 HydrophobicContact CB-CZ 4.35Å; V670-F696 HydrophobicContact CG1-CE1 4.34Å; V670-F696 HydrophobicContact CG1-CE2 3.99Å; V670-F696 HydrophobicContact CG1-CZ 3.59Å
671K96.2Very high94.5Very high39 Ų3954.6 Ų54.617%0.1727%0.267CS..Iπ-helixtrans-63.8-42.9-178.1-172.6-174.470.7169.80112.7F667 H668 Q693 F696 I697F667-K671 HydrophobicContact CE1-CD 4.19Å; F667-K671 WeakPolarHBondContact O-CB 3.35Å; F667-K671 PolarHBondContact O-N 2.91Å; H668-K671 PolarHBondContact O-N 3.47Å; K671-Q693 HydrophobicContact CG-CG 4.36Å; K671-Q693 PolarHBondContact O-NE2 2.84Å; K671-F696 HydrophobicContact CB-CD1 4.27Å; K671-F696 HydrophobicContact CB-CE1 4.21Å; K671-F696 HydrophobicContact CG-CD1 4.29Å; K671-I697 HydrophobicContact CD-CD1 4.15Å; K671-I697 HydrophobicContact CD-CG1 4.1Å
672N94.7Very high93.7Very high78 Ų7854.5 Ų54.542%0.41727%0.267SS..Iπ-helixtrans-92.8-32-170.1-63-19.3000112.8H668 P676H668-N672 VanDerWaalsContact O-CB 3.27Å; H668-N672 WeakPolarHBondContact O-CB 3.3Å; H668-N672 PolarHBondContact O-N 3.37Å; H668-N672 PolarHBondContact O-ND2 3.41Å; N672-P676 WeakPolarHBondContact O-CG 3.45Å
673D93Very high92.6Very high75 Ų7557.8 Ų57.840%0.40129%0.285SS..Iπ-helixtrans-109-50.7-173.1-57.5-21.1000112.7Q669 K677Q669-D673 HydrophobicContact CG-CB 4.41Å; Q669-D673 WeakPolarHBondContact O-CA 3.33Å; Q669-D673 VanDerWaalsContact O-CB 3.25Å; Q669-D673 WeakPolarHBondContact O-CB 3.31Å; Q669-D673 PolarHBondContact O-N 2.89Å; D673-K677 VanDerWaalsContact O-CD 3.24Å; D673-K677 WeakPolarHBondContact O-CD 3.32Å; D673-K677 WeakPolarHBondContact O-CG 3.46Å
674W94.5Very high91.5Very high6 Ų656.6 Ų56.62%0.02328%0.278CS..Iπ-helixtrans-80.5-45.8-172.9-77.3103.3000112.8A575 I654 L657 Q669 V670 K677 L678A575-W674 HydrophobicContact CB-CH2 3.63Å; A575-W674 HydrophobicContact CB-CZ2 4.45Å; A575-W674 HydrophobicContact CB-CZ3 3.86Å; I654-W674 HydrophobicContact CD1-CE3 4.07Å; I654-W674 HydrophobicContact CG1-CD2 4.35Å; I654-W674 HydrophobicContact CG1-CE3 4.04Å; I654-W674 HydrophobicContact CG1-CZ3 4.4Å; L657-W674 HydrophobicContact CD1-CH2 3.67Å; L657-W674 HydrophobicContact CD1-CZ2 3.12Å; Q669-W674 PolarHBondContact O-N 3.12Å; V670-W674 PolarHBondContact O-N 3.38Å; W674-K677 HydrophobicContact CE3-CD 4.42Å; W674-K677 HydrophobicContact CZ3-CD 4.42Å; W674-K677 WeakPolarHBondContact O-CB 3.47Å; W674-K677 PolarHBondContact O-N 2.97Å; W674-K677 VanDerWaalsContact O-N 3.08Å; W674-L678 WeakPolarHBondContact O-CG 3.4Å; W674-L678 PolarHBondContact O-N 3.19Å; W674-L678 VanDerWaalsContact O-N 3.1Å
675L95.9Very high90.6Very high0 Ų055.2 Ų55.20%027%0.266CS..Hα-helixtrans-56.8-45-177.6-176.765.7000112.2C536 A540 V670 K677 L678 V692 Q693 F696C536-L675 HydrophobicContact CB-CD1 4.11Å; A540-L675 HydrophobicContact CB-CD1 4.09Å; V670-L675 WeakPolarHBondContact O-CB 3.48Å; V670-L675 PolarHBondContact O-N 2.92Å; L675-K677 PolarHBondContact O-N 2.87Å; L675-L678 PolarHBondContact O-N 3.31Å; L675-V692 HydrophobicContact CD1-CB 4.5Å; L675-V692 HydrophobicContact CD1-CG2 4.4Å; L675-V692 HydrophobicContact CD2-CB 4.33Å; L675-V692 HydrophobicContact CD2-CG2 4.02Å; L675-V692 HydrophobicContact CG-CB 4.49Å; L675-V692 HydrophobicContact CG-CG2 3.97Å; L675-Q693 HydrophobicContact CD2-CG 4.08Å; L675-F696 HydrophobicContact CD2-CB 3.82Å; L675-F696 HydrophobicContact CD2-CD2 4.43Å; L675-F696 HydrophobicContact CD2-CG 4.1Å
676P94Very high89.8Confident26 Ų2656.3 Ų56.317%0.16928%0.275CS..Hα-helixtrans-64.4-38.5174.7-24.737.4000113.8N672 L678 L679 Q689N672-P676 WeakPolarHBondContact O-CG 3.45Å; P676-L678 PolarHBondContact O-N 3.48Å; P676-L679 PolarHBondContact O-N 3.27Å; P676-L679 VanDerWaalsContact O-N 3.14Å; P676-Q689 HydrophobicContact CB-CG 4.35Å; P676-Q689 HydrophobicContact CG-CG 4.21Å
677K94.4Very high88.9Confident107 Ų10762.4 Ų62.447%0.46530%0.304SS..Hα-helixtrans-63.6-28.5178.9-73.1171.8-172.1171.40112.8H567 C571 D673 W674 L675 L679H567-K677 PolarHBondContact NE2-O 3.48Å; C571-K677 PolarHBondContact SG-O 3.37Å; D673-K677 VanDerWaalsContact O-CD 3.24Å; D673-K677 WeakPolarHBondContact O-CD 3.32Å; D673-K677 WeakPolarHBondContact O-CG 3.46Å; W674-K677 HydrophobicContact CE3-CD 4.42Å; W674-K677 HydrophobicContact CZ3-CD 4.42Å; W674-K677 WeakPolarHBondContact O-CB 3.47Å; W674-K677 PolarHBondContact O-N 2.97Å; W674-K677 VanDerWaalsContact O-N 3.08Å; L675-K677 PolarHBondContact O-N 2.87Å; K677-L679 VanDerWaalsContact C-N 3.26Å; K677-L679 PolarHBondContact O-N 3.22Å
678L95.6Very high88.5Confident1 Ų161.2 Ų61.21%0.00530%0.299CS..THydrogen-bonded Turntrans-75.5-13.6178.6-68171.4000113.3C536 A540 N544 H567 C571 L650 I654 W674 L675 P676C536-L678 HydrophobicContact CB-CD1 4.39Å; A540-L678 HydrophobicContact CB-CB 3.45Å; A540-L678 VanDerWaalsContact CB-CB 3.45Å; A540-L678 HydrophobicContact CB-CD1 4.13Å; A540-L678 HydrophobicContact CB-CG 4.43Å; N544-L678 PolarHBondContact ND2-O 3.04Å; H567-L678 PolarHBondContact CD2-O 2.88Å; H567-L678 PolarHBondContact NE2-O 3Å; C571-L678 HydrophobicContact CB-CD2 4.04Å; L650-L678 HydrophobicContact CD1-CD2 4.19Å; L650-L678 HydrophobicContact CD2-CD2 3.79Å; L650-L678 HydrophobicContact CG-CD2 4.45Å; I654-L678 HydrophobicContact CD1-CD1 4.24Å; I654-L678 HydrophobicContact CD1-CD2 4.15Å; W674-L678 WeakPolarHBondContact O-CG 3.4Å; W674-L678 PolarHBondContact O-N 3.19Å; W674-L678 VanDerWaalsContact O-N 3.1Å; L675-L678 PolarHBondContact O-N 3.31Å; P676-L678 PolarHBondContact O-N 3.48Å
679L93.9Very high88.2Confident13 Ų1359.9 Ų59.97%0.06829%0.293CS..SBendtrans-83.3133.3178-53.3177.6000111.3A540 H567 P676 K677 R688 Q689 V692A540-L679 HydrophobicContact CB-CD2 4.09Å; H567-L679 PolarHBondContact NE2-O 3.32Å; P676-L679 PolarHBondContact O-N 3.27Å; P676-L679 VanDerWaalsContact O-N 3.14Å; K677-L679 VanDerWaalsContact C-N 3.26Å; K677-L679 PolarHBondContact O-N 3.22Å; L679-R688 HydrophobicContact CD1-CG 4.48Å; L679-Q689 HydrophobicContact CD1-CB 4.19Å; L679-V692 HydrophobicContact CD1-CG2 3.76Å; L679-V692 HydrophobicContact CD2-CG1 3.97Å; L679-V692 HydrophobicContact CD2-CG2 4.13Å; L679-V692 HydrophobicContact CG-CG2 4.42Å
680I89.2Confident87.9Confident30 Ų3061.5 Ų61.515%0.15430%0.303CS..PPolyproline II helixtrans-71.3131.9170.4-64.2164.3000109.2N544 V548 I564 H567 T682 R688N544-I680 HydrophobicContact CB-CD1 4.26Å; N544-I680 WeakPolarHBondContact OD1-CG1 3.29Å; N544-I680 PolarHBondContact OD1-N 3.08Å; V548-I680 HydrophobicContact CG2-CB 4.46Å; V548-I680 HydrophobicContact CG2-CD1 3.9Å; V548-I680 HydrophobicContact CG2-CG2 4.45Å; I564-I680 HydrophobicContact CB-CD1 4.06Å; I564-I680 HydrophobicContact CG1-CD1 3.57Å; I564-I680 HydrophobicContact CG2-CD1 4.28Å; H567-I680 HydrophobicContact CB-CD1 4.07Å; H567-I680 HydrophobicContact CB-CG1 3.74Å; H567-I680 VanDerWaalsContact CG-CG1 3.49Å; I680-T682 PolarHBondContact O-N 3.46Å; I680-R688 PolarHBondContact O-NH1 3.36Å
681R82.6Confident87.7Confident233 Ų23364.2 Ų64.288%0.87932%0.322SS*.PPolyproline II helixtrans-62.9125.6175.5-70.2-174.3179179-0.8110.1V685R681-V685 HydrophobicContact CB-CG2 4.39Å
682T77Confident87.6Confident23 Ų2362.4 Ų62.414%0.14131%0.314CS..  trans-136.3178-179.847.60000108.1D551 I680 S684 V685D551-T682 WeakPolarHBondContact OD2-CB 3.28Å; D551-T682 WeakPolarHBondContact OD2-CG2 3.48Å; I680-T682 PolarHBondContact O-N 3.46Å; T682-S684 PolarHBondContact O-N 3.42Å; T682-V685 VanDerWaalsContact N-CG2 3.29Å; T682-V685 WeakPolarHBondContact O-CG2 3.32Å
683N72.4Confident87.7Confident163 Ų16360.5 Ų60.587%0.87230%0.302SS*.THydrogen-bonded Turntrans-69.5-22.2179.7-67.4-26.9000113
684S73.6Confident87.8Confident33 Ų3363.2 Ų63.223%0.23131%0.311CS..THydrogen-bonded Turntrans-106.935.4-175.6630000113.7F547 T682 N686 R688F547-S684 WeakPolarHBondContact CD1-OG 3.19Å; F547-S684 WeakPolarHBondContact CE1-OG 3.13Å; T682-S684 PolarHBondContact O-N 3.42Å; S684-N686 PolarHBondContact O-N 3.19Å; S684-R688 WeakPolarHBondContact O-CB 3.31Å; S684-R688 PolarHBondContact O-N 2.66Å; S684-R688 VanDerWaalsContact O-N 3.11Å
685V75.3Confident87.9Confident46 Ų4664.1 Ų64.128%0.27932%0.316SS..Hα-helixtrans-58.6-42-170163.90000113.8R681 T682 R688 Q689R681-V685 HydrophobicContact CB-CG2 4.39Å; T682-V685 VanDerWaalsContact N-CG2 3.29Å; T682-V685 WeakPolarHBondContact O-CG2 3.32Å; V685-R688 PolarHBondContact O-N 3.23Å; V685-Q689 WeakPolarHBondContact O-CB 3.28Å; V685-Q689 PolarHBondContact O-N 3.04Å
686N79.3Confident88Confident124 Ų12464.1 Ų64.166%0.66332%0.316SS*.Hα-helixtrans-67.8-50.7-176.1-68.7-14.1000112S684 R688 Q689 D690S684-N686 PolarHBondContact O-N 3.19Å; N686-R688 PolarHBondContact O-N 3Å; N686-Q689 PolarHBondContact O-N 3.18Å; N686-Q689 VanDerWaalsContact O-N 3.16Å; N686-D690 PolarHBondContact O-N 3.14Å
687E79.3Confident88.2Confident148 Ų14865.7 Ų65.769%0.69232%0.323SS*.Hα-helixtrans-59-39.4177.5-65.1179.4168.600111.6D690 C691E687-D690 PolarHBondContact O-N 3.39Å; E687-C691 WeakPolarHBondContact O-CB 3.34Å; E687-C691 PolarHBondContact O-N 2.77Å
688R88.3Confident88.3Confident1 Ų164.8 Ų64.80%0.00432%0.318CS..Hα-helixtrans-65.9-42.7177.9-172.8174.6178.1-138.2-28.3111.8S543 N544 F547 L679 I680 S684 V685 N686 C691 V692S543-R688 PolarHBondContact O-NE 3.18Å; S543-R688 PolarHBondContact O-NH2 2.86Å; S543-R688 WeakPolarHBondContact OG-CG 3.36Å; S543-R688 PolarHBondContact OG-NE 2.94Å; S543-R688 PolarHBondContact OG-NH2 2.96Å; N544-R688 VanDerWaalsContact CG-NH2 3.32Å; N544-R688 PolarHBondContact OD1-NH1 2.98Å; N544-R688 PolarHBondContact OD1-NH2 3.35Å; F547-R688 HydrophobicContact CD2-CG 4.03Å; F547-R688 HydrophobicContact CE1-CB 4.39Å; F547-R688 HydrophobicContact CE1-CG 4.42Å; F547-R688 HydrophobicContact CE2-CG 3.87Å; F547-R688 HydrophobicContact CG-CG 4.36Å; F547-R688 HydrophobicContact CZ-CB 4.24Å; F547-R688 HydrophobicContact CZ-CG 4.07Å; L679-R688 HydrophobicContact CD1-CG 4.48Å; I680-R688 PolarHBondContact O-NH1 3.36Å; S684-R688 WeakPolarHBondContact O-CB 3.31Å; S684-R688 PolarHBondContact O-N 2.66Å; S684-R688 VanDerWaalsContact O-N 3.11Å; V685-R688 PolarHBondContact O-N 3.23Å; N686-R688 PolarHBondContact O-N 3Å; R688-C691 PolarHBondContact O-N 2.95Å; R688-V692 PolarHBondContact O-N 3.09Å
689Q90.1Very high88.4Confident58 Ų5864.7 Ų64.727%0.27132%0.318SS..Hα-helixtrans-61.7-44.6176.8-174.4172.6-32.100111.5P676 L679 V685 N686 C691 V692 Q693P676-Q689 HydrophobicContact CB-CG 4.35Å; P676-Q689 HydrophobicContact CG-CG 4.21Å; L679-Q689 HydrophobicContact CD1-CB 4.19Å; V685-Q689 WeakPolarHBondContact O-CB 3.28Å; V685-Q689 PolarHBondContact O-N 3.04Å; N686-Q689 PolarHBondContact O-N 3.18Å; N686-Q689 VanDerWaalsContact O-N 3.16Å; Q689-C691 VanDerWaalsContact C-N 3.33Å; Q689-C691 PolarHBondContact O-N 2.85Å; Q689-V692 WeakPolarHBondContact O-CG2 3.29Å; Q689-V692 PolarHBondContact O-N 3.32Å; Q689-Q693 WeakPolarHBondContact O-CB 3.39Å; Q689-Q693 WeakPolarHBondContact O-CG 3.31Å; Q689-Q693 PolarHBondContact O-N 3.49Å
690D90.3Very high88.6Confident88 Ų8864.1 Ų64.147%0.47132%0.315SS..Hα-helixtrans-62.7-40.8176.6-73.2-13.5000111.9N686 E687 Q693 K694N686-D690 PolarHBondContact O-N 3.14Å; E687-D690 PolarHBondContact O-N 3.39Å; D690-Q693 PolarHBondContact O-N 3.36Å; D690-K694 WeakPolarHBondContact O-CB 3.48Å; D690-K694 VanDerWaalsContact O-CG 3.26Å; D690-K694 WeakPolarHBondContact O-CG 3.3Å; D690-K694 PolarHBondContact O-N 3.11Å
691C92.1Very high89Confident56 Ų5667.5 Ų67.538%0.37833%0.333SS..Hα-helixtrans-62.4-50.2177.8-177.60000111.7E687 R688 Q689 Q693 K694 D695E687-C691 WeakPolarHBondContact O-CB 3.34Å; E687-C691 PolarHBondContact O-N 2.77Å; R688-C691 PolarHBondContact O-N 2.95Å; Q689-C691 VanDerWaalsContact C-N 3.33Å; Q689-C691 PolarHBondContact O-N 2.85Å; C691-Q693 VanDerWaalsContact C-N 3.32Å; C691-Q693 PolarHBondContact O-N 3.34Å; C691-K694 WeakPolarHBondContact O-CB 3.24Å; C691-K694 PolarHBondContact O-N 3.47Å; C691-D695 PolarHBondContact O-N 3.23Å
692V94.7Very high89.7Confident2 Ų256.6 Ų56.61%0.01229%0.293CS..Hα-helixtrans-66.5-34.4179.9-62.10000112.5I539 S543 L675 L679 R688 Q689 D695 F696I539-V692 HydrophobicContact CG2-CB 3.91Å; I539-V692 HydrophobicContact CG2-CG1 4.23Å; S543-V692 WeakPolarHBondContact OG-CG1 3.33Å; L675-V692 HydrophobicContact CD1-CB 4.5Å; L675-V692 HydrophobicContact CD1-CG2 4.4Å; L675-V692 HydrophobicContact CD2-CB 4.33Å; L675-V692 HydrophobicContact CD2-CG2 4.02Å; L675-V692 HydrophobicContact CG-CB 4.49Å; L675-V692 HydrophobicContact CG-CG2 3.97Å; L679-V692 HydrophobicContact CD1-CG2 3.76Å; L679-V692 HydrophobicContact CD2-CG1 3.97Å; L679-V692 HydrophobicContact CD2-CG2 4.13Å; L679-V692 HydrophobicContact CG-CG2 4.42Å; R688-V692 PolarHBondContact O-N 3.09Å; Q689-V692 WeakPolarHBondContact O-CG2 3.29Å; Q689-V692 PolarHBondContact O-N 3.32Å; V692-D695 PolarHBondContact O-N 3.36Å; V692-F696 WeakPolarHBondContact O-CB 3.29Å; V692-F696 PolarHBondContact O-N 2.97Å
693Q95.8Very high90.6Very high37 Ų3755.6 Ų55.617%0.17329%0.286CS..Hα-helixtrans-66.3-40.9175-76.6-173.8-6.600111.3K671 L675 Q689 D690 C691 F696 I697K671-Q693 HydrophobicContact CG-CG 4.36Å; K671-Q693 PolarHBondContact O-NE2 2.84Å; L675-Q693 HydrophobicContact CD2-CG 4.08Å; Q689-Q693 WeakPolarHBondContact O-CB 3.39Å; Q689-Q693 WeakPolarHBondContact O-CG 3.31Å; Q689-Q693 PolarHBondContact O-N 3.49Å; D690-Q693 PolarHBondContact O-N 3.36Å; C691-Q693 VanDerWaalsContact C-N 3.32Å; C691-Q693 PolarHBondContact O-N 3.34Å; Q693-F696 PolarHBondContact O-N 2.93Å; Q693-I697 VanDerWaalsContact O-CG1 3.28Å; Q693-I697 WeakPolarHBondContact O-CG1 3.35Å; Q693-I697 PolarHBondContact O-N 3.48Å
694K95.9Very high91.6Very high132 Ų13251.7 Ų51.757%0.57427%0.265SS*.Hα-helixtrans-61.1-45173.8-75.3170.3-174.4172.20111.5D690 C691 I697 K698D690-K694 WeakPolarHBondContact O-CB 3.48Å; D690-K694 VanDerWaalsContact O-CG 3.26Å; D690-K694 WeakPolarHBondContact O-CG 3.3Å; D690-K694 PolarHBondContact O-N 3.11Å; C691-K694 WeakPolarHBondContact O-CB 3.24Å; C691-K694 PolarHBondContact O-N 3.47Å; K694-I697 PolarHBondContact O-N 3.08Å; K694-K698 WeakPolarHBondContact O-CB 3.25Å; K694-K698 VanDerWaalsContact O-CG 3.31Å; K694-K698 WeakPolarHBondContact O-CG 3.36Å; K694-K698 PolarHBondContact O-N 2.81Å
695D96.7Very high92.6Very high26 Ų2656.3 Ų56.314%0.13928%0.281CS..Hα-helixtrans-66.8-37.8178.9-77.2-8.6000112.2I501 I539 C691 V692 K698 L699I501-D695 HydrophobicContact CD1-CB 3.67Å; I539-D695 HydrophobicContact CD1-CB 4.49Å; I539-D695 HydrophobicContact CG2-CB 4.21Å; C691-D695 PolarHBondContact O-N 3.23Å; V692-D695 PolarHBondContact O-N 3.36Å; D695-K698 PolarHBondContact O-N 3.06Å; D695-K698 IonicContact OD1-NZ 2.84Å; D695-L699 PolarHBondContact O-N 3.29Å
696F97.7Very high93.4Very high0 Ų054.4 Ų54.40%027%0.27CS..Hα-helixtrans-62.9-43.1173.1-170.8-96.4000111.7L532 C536 I539 F667 V670 K671 L675 V692 Q693 L699 F700L532-F696 HydrophobicContact CD2-CZ 4.04Å; C536-F696 HydrophobicContact CB-CD2 4.28Å; C536-F696 HydrophobicContact CB-CE2 3.77Å; I539-F696 VanDerWaalsContact CD1-CA 3.46Å; I539-F696 HydrophobicContact CD1-CB 3.98Å; I539-F696 HydrophobicContact CD1-CD2 4.05Å; I539-F696 HydrophobicContact CD1-CG 4.48Å; F667-F696 AromaticContact CD2-CE1 3.96Å; F667-F696 HydrophobicContact CD2-CE1 3.96Å; F667-F696 HydrophobicContact CE2-CD1 4.07Å; F667-F696 AromaticContact CE2-CE1 3.46Å; F667-F696 HydrophobicContact CE2-CE1 3.46Å; F667-F696 VanDerWaalsContact CE2-CE1 3.46Å; F667-F696 HydrophobicContact CE2-CZ 4.29Å; F667-F696 HydrophobicContact CZ-CD1 4.1Å; F667-F696 AromaticContact CZ-CE1 3.86Å; F667-F696 HydrophobicContact CZ-CE1 3.86Å; V670-F696 HydrophobicContact CB-CZ 4.35Å; V670-F696 HydrophobicContact CG1-CE1 4.34Å; V670-F696 HydrophobicContact CG1-CE2 3.99Å; V670-F696 HydrophobicContact CG1-CZ 3.59Å; K671-F696 HydrophobicContact CB-CD1 4.27Å; K671-F696 HydrophobicContact CB-CE1 4.21Å; K671-F696 HydrophobicContact CG-CD1 4.29Å; L675-F696 HydrophobicContact CD2-CB 3.82Å; L675-F696 HydrophobicContact CD2-CD2 4.43Å; L675-F696 HydrophobicContact CD2-CG 4.1Å; V692-F696 WeakPolarHBondContact O-CB 3.29Å; V692-F696 PolarHBondContact O-N 2.97Å; Q693-F696 PolarHBondContact O-N 2.93Å; F696-L699 WeakPolarHBondContact O-CB 3.47Å; F696-L699 PolarHBondContact O-N 3.07Å; F696-F700 HydrophobicContact CD1-CD2 4.35Å; F696-F700 HydrophobicContact CD2-CE2 4.29Å; F696-F700 HydrophobicContact CE1-CD2 4.06Å; F696-F700 AromaticContact CE1-CE2 3.93Å; F696-F700 HydrophobicContact CE1-CE2 3.93Å; F696-F700 HydrophobicContact CE2-CD2 4.36Å; F696-F700 AromaticContact CE2-CE2 3.66Å; F696-F700 HydrophobicContact CE2-CE2 3.66Å; F696-F700 HydrophobicContact CZ-CD2 4.06Å; F696-F700 AromaticContact CZ-CE2 3.46Å; F696-F700 HydrophobicContact CZ-CE2 3.46Å; F696-F700 VanDerWaalsContact CZ-CE2 3.46Å; F696-F700 HydrophobicContact CZ-CZ 4.27Å; F696-F700 WeakPolarHBondContact O-CD2 3.48Å; F696-F700 PolarHBondContact O-N 3.33Å
697I97.4Very high93.3Very high59 Ų5953.4 Ų53.430%0.30326%0.264SS..Hα-helixtrans-64.8-44.9175.1-68.4164.1000111.1K671 Q693 K694 L699 F700 N701K671-I697 HydrophobicContact CD-CD1 4.15Å; K671-I697 HydrophobicContact CD-CG1 4.1Å; Q693-I697 VanDerWaalsContact O-CG1 3.28Å; Q693-I697 WeakPolarHBondContact O-CG1 3.35Å; Q693-I697 PolarHBondContact O-N 3.48Å; K694-I697 PolarHBondContact O-N 3.08Å; I697-L699 VanDerWaalsContact C-N 3.28Å; I697-L699 PolarHBondContact O-N 2.99Å; I697-F700 PolarHBondContact O-N 3.17Å; I697-N701 VanDerWaalsContact O-CG 3.3Å; I697-N701 PolarHBondContact O-N 3.44Å
698K97.1Very high94Very high87 Ų8748.7 Ų48.738%0.37824%0.243SC..Hα-helixtrans-57.1-42177.1-76.8174.4-1761720112F496 K694 D695 L702F496-K698 HydrophobicContact CZ-CB 4.39Å; K694-K698 WeakPolarHBondContact O-CB 3.25Å; K694-K698 VanDerWaalsContact O-CG 3.31Å; K694-K698 WeakPolarHBondContact O-CG 3.36Å; K694-K698 PolarHBondContact O-N 2.81Å; D695-K698 PolarHBondContact O-N 3.06Å; D695-K698 IonicContact OD1-NZ 2.84Å; K698-L702 WeakPolarHBondContact O-CB 3.35Å; K698-L702 PolarHBondContact O-N 3.19Å
699L98Very high94.4Very high0 Ų051.2 Ų51.20%026%0.256CS..Hα-helixtrans-56.1-51.5176.4172.461.5000111.2I501 L504 A505 L508 I539 D695 F696 I697 L702 I703I501-L699 HydrophobicContact CG2-CB 3.82Å; I501-L699 HydrophobicContact CG2-CD1 3.94Å; I501-L699 HydrophobicContact CG2-CG 4.48Å; L504-L699 HydrophobicContact CB-CD1 4.34Å; L504-L699 HydrophobicContact CD2-CD1 4.25Å; L504-L699 HydrophobicContact CD2-CD2 3.7Å; L504-L699 HydrophobicContact CG-CD1 4.08Å; L504-L699 HydrophobicContact CG-CD2 4.22Å; A505-L699 HydrophobicContact CB-CD1 3.76Å; L508-L699 HydrophobicContact CD1-CD1 4.4Å; L508-L699 HydrophobicContact CD1-CD2 4.27Å; I539-L699 HydrophobicContact CD1-CB 4.37Å; I539-L699 HydrophobicContact CD1-CD2 4.05Å; D695-L699 PolarHBondContact O-N 3.29Å; F696-L699 WeakPolarHBondContact O-CB 3.47Å; F696-L699 PolarHBondContact O-N 3.07Å; I697-L699 VanDerWaalsContact C-N 3.28Å; I697-L699 PolarHBondContact O-N 2.99Å; L699-L702 PolarHBondContact O-N 3.43Å; L699-I703 HydrophobicContact CD1-CD1 3.97Å; L699-I703 HydrophobicContact CD1-CG1 4.32Å; L699-I703 HydrophobicContact CG-CD1 3.93Å; L699-I703 WeakPolarHBondContact O-CG1 3.19Å; L699-I703 PolarHBondContact O-N 2.96Å
700F97.7Very high94.6Very high1 Ų150.8 Ų50.80%0.00426%0.255CS..Hα-helixtrans-73.7-33.2-176.3-80-87000113.4L525 Q526 L532 F667 F696 I697 L702 I703 D704L525-F700 HydrophobicContact CB-CE1 4.23Å; Q526-F700 HydrophobicContact CB-CD1 4.41Å; Q526-F700 HydrophobicContact CG-CD1 3.49Å; Q526-F700 VanDerWaalsContact CG-CD1 3.49Å; Q526-F700 HydrophobicContact CG-CE1 4.09Å; Q526-F700 HydrophobicContact CG-CG 4.32Å; L532-F700 HydrophobicContact CD2-CE1 4.04Å; L532-F700 HydrophobicContact CD2-CE2 4.16Å; L532-F700 HydrophobicContact CD2-CZ 3.55Å; L532-F700 HydrophobicContact CG-CZ 4.45Å; F667-F700 HydrophobicContact CD2-CD1 4.43Å; F667-F700 HydrophobicContact CD2-CD2 4.36Å; F667-F700 HydrophobicContact CD2-CG 4.27Å; F667-F700 HydrophobicContact CE2-CB 3.85Å; F667-F700 HydrophobicContact CE2-CD1 4.18Å; F667-F700 AromaticContact CE2-CD2 3.6Å; F667-F700 HydrophobicContact CE2-CD2 3.6Å; F667-F700 HydrophobicContact CE2-CE2 4.18Å; F667-F700 AromaticContact CE2-CG 3.58Å; F667-F700 HydrophobicContact CE2-CG 3.58Å; F667-F700 HydrophobicContact CZ-CB 4.43Å; F696-F700 HydrophobicContact CD1-CD2 4.35Å; F696-F700 HydrophobicContact CD2-CE2 4.29Å; F696-F700 HydrophobicContact CE1-CD2 4.06Å; F696-F700 AromaticContact CE1-CE2 3.93Å; F696-F700 HydrophobicContact CE1-CE2 3.93Å; F696-F700 HydrophobicContact CE2-CD2 4.36Å; F696-F700 AromaticContact CE2-CE2 3.66Å; F696-F700 HydrophobicContact CE2-CE2 3.66Å; F696-F700 HydrophobicContact CZ-CD2 4.06Å; F696-F700 AromaticContact CZ-CE2 3.46Å; F696-F700 HydrophobicContact CZ-CE2 3.46Å; F696-F700 VanDerWaalsContact CZ-CE2 3.46Å; F696-F700 HydrophobicContact CZ-CZ 4.27Å; F696-F700 WeakPolarHBondContact O-CD2 3.48Å; F696-F700 PolarHBondContact O-N 3.33Å; I697-F700 PolarHBondContact O-N 3.17Å; F700-L702 VanDerWaalsContact C-N 3.27Å; F700-L702 PolarHBondContact O-N 2.69Å; F700-I703 HydrophobicContact CD1-CD1 3.94Å; F700-I703 HydrophobicContact CE1-CD1 4.05Å; F700-I703 HydrophobicContact CG-CD1 4.31Å; F700-I703 HydrophobicContact CZ-CD1 4.47Å; F700-I703 PolarHBondContact O-N 2.66Å; F700-D704 PolarHBondContact O-N 3.19Å
701N97Very high94.8Very high101 Ų10148.6 Ų48.654%0.5424%0.242SC..Hα-helixtrans-60.6-38.7169.4-69.9-8.3000111.7I697 K705I697-N701 VanDerWaalsContact O-CG 3.3Å; I697-N701 PolarHBondContact O-N 3.44Å; N701-K705 PolarHBondContact O-N 2.91Å
702L97.4Very high95Very high4 Ų448.2 Ų48.22%0.02123%0.233CC..Hα-helixtrans-69.9-42175.3-179.162.2000111.5D493 F496 Q502 A505 K698 L699 F700 D704 K705 L706D493-L702 HydrophobicContact CB-CD1 4.48Å; F496-L702 HydrophobicContact CD1-CD2 3.96Å; F496-L702 HydrophobicContact CD2-CD1 4.03Å; F496-L702 HydrophobicContact CD2-CD2 3.98Å; F496-L702 HydrophobicContact CD2-CG 4.41Å; F496-L702 HydrophobicContact CE1-CD2 3.73Å; F496-L702 HydrophobicContact CE2-CB 3.83Å; F496-L702 HydrophobicContact CE2-CD1 4.16Å; F496-L702 HydrophobicContact CE2-CD2 3.76Å; F496-L702 HydrophobicContact CE2-CG 4.12Å; F496-L702 HydrophobicContact CG-CD2 4.08Å; F496-L702 HydrophobicContact CZ-CB 4.05Å; F496-L702 HydrophobicContact CZ-CD2 3.62Å; F496-L702 HydrophobicContact CZ-CG 4.36Å; Q502-L702 HydrophobicContact CB-CD2 3.82Å; Q502-L702 HydrophobicContact CG-CD2 4.07Å; A505-L702 HydrophobicContact CB-CD2 3.72Å; A505-L702 HydrophobicContact CB-CG 4.03Å; K698-L702 WeakPolarHBondContact O-CB 3.35Å; K698-L702 PolarHBondContact O-N 3.19Å; L699-L702 PolarHBondContact O-N 3.43Å; F700-L702 VanDerWaalsContact C-N 3.27Å; F700-L702 PolarHBondContact O-N 2.69Å; L702-D704 VanDerWaalsContact C-N 3.26Å; L702-D704 PolarHBondContact O-N 3.45Å; L702-K705 WeakPolarHBondContact O-CB 3.41Å; L702-K705 PolarHBondContact O-N 2.83Å; L702-L706 HydrophobicContact CD1-CD1 4.25Å; L702-L706 HydrophobicContact CD1-CD2 4.31Å; L702-L706 HydrophobicContact CD1-CG 4Å; L702-L706 HydrophobicContact CD2-CD1 4.38Å; L702-L706 HydrophobicContact CG-CD1 3.94Å; L702-L706 HydrophobicContact CG-CG 4.11Å; L702-L706 WeakPolarHBondContact O-CG 3.47Å; L702-L706 PolarHBondContact O-N 3.12Å
703I96.7Very high95Very high1 Ų151.3 Ų51.31%0.00525%0.248CC..Hα-helixtrans-55.3-44175.3-74.5166.7000110.9A505 L508 V509 L525 L699 F700 K705 L706 N707A505-I703 HydrophobicContact CB-CG1 3.98Å; L508-I703 HydrophobicContact CB-CD1 4.39Å; L508-I703 HydrophobicContact CD1-CD1 3.89Å; V509-I703 HydrophobicContact CG2-CB 4.41Å; V509-I703 HydrophobicContact CG2-CG1 4.29Å; V509-I703 HydrophobicContact CG2-CG2 4.05Å; L525-I703 HydrophobicContact CB-CG2 4Å; L525-I703 HydrophobicContact CD1-CD1 4.27Å; L525-I703 HydrophobicContact CD1-CG1 4.43Å; L525-I703 HydrophobicContact CD1-CG2 3.47Å; L525-I703 VanDerWaalsContact CD1-CG2 3.47Å; L525-I703 HydrophobicContact CG-CG2 4.37Å; L699-I703 HydrophobicContact CD1-CD1 3.97Å; L699-I703 HydrophobicContact CD1-CG1 4.32Å; L699-I703 HydrophobicContact CG-CD1 3.93Å; L699-I703 WeakPolarHBondContact O-CG1 3.19Å; L699-I703 PolarHBondContact O-N 2.96Å; F700-I703 HydrophobicContact CD1-CD1 3.94Å; F700-I703 HydrophobicContact CE1-CD1 4.05Å; F700-I703 HydrophobicContact CG-CD1 4.31Å; F700-I703 HydrophobicContact CZ-CD1 4.47Å; F700-I703 PolarHBondContact O-N 2.66Å; I703-K705 VanDerWaalsContact C-N 3.29Å; I703-K705 PolarHBondContact O-N 3.32Å; I703-L706 PolarHBondContact O-N 3.18Å; I703-N707 WeakPolarHBondContact O-CB 3.43Å; I703-N707 PolarHBondContact O-N 3.2Å; I703-N707 PolarHBondContact O-ND2 3.06Å
704D93.8Very high95Very high81 Ų8152.3 Ų52.343%0.43325%0.254SS..Hα-helixtrans-65.8-31.6178.5-66.5-15.5000112.3Q526 F700 L702Q526-D704 PolarHBondContact NE2-OD1 3.09Å; Q526-D704 PolarHBondContact NE2-OD2 3.49Å; F700-D704 PolarHBondContact O-N 3.19Å; L702-D704 VanDerWaalsContact C-N 3.26Å; L702-D704 PolarHBondContact O-N 3.45Å
705K94.3Very high94.9Very high130 Ų13046.2 Ų46.257%0.56523%0.229SC*.Hα-helixtrans-75.1-32.6175.2-179.3-179.8175.7179.70113.1D493 N701 L702 I703D493-K705 IonicContact OD2-NZ 2.85Å; D493-K705 PolarHBondContact OD2-NZ 2.97Å; N701-K705 PolarHBondContact O-N 2.91Å; L702-K705 WeakPolarHBondContact O-CB 3.41Å; L702-K705 PolarHBondContact O-N 2.83Å; I703-K705 VanDerWaalsContact C-N 3.29Å; I703-K705 PolarHBondContact O-N 3.32Å
706L91.6Very high94.8Very high7 Ų747.8 Ų47.84%0.03724%0.236CC..Hα-helixtrans-83.8-23.1-178.4-67.9-178.7000113.1V490 N491 A505 I506 V509 R513 L702 I703V490-L706 HydrophobicContact CG1-CD1 4.47Å; V490-L706 HydrophobicContact CG1-CD2 3.96Å; N491-L706 VanDerWaalsContact O-CD2 3.23Å; N491-L706 WeakPolarHBondContact O-CD2 3.27Å; A505-L706 HydrophobicContact CB-CD1 3.93Å; I506-L706 HydrophobicContact CG1-CD1 4.03Å; V509-L706 HydrophobicContact CG2-CB 4.19Å; R513-L706 PolarHBondContact NH2-O 3.15Å; L702-L706 HydrophobicContact CD1-CD1 4.25Å; L702-L706 HydrophobicContact CD1-CD2 4.31Å; L702-L706 HydrophobicContact CD1-CG 4Å; L702-L706 HydrophobicContact CD2-CD1 4.38Å; L702-L706 HydrophobicContact CG-CD1 3.94Å; L702-L706 HydrophobicContact CG-CG 4.11Å; L702-L706 WeakPolarHBondContact O-CG 3.47Å; L702-L706 PolarHBondContact O-N 3.12Å; I703-L706 PolarHBondContact O-N 3.18Å
707N78.3Confident94.5Very high103 Ų10352.2 Ų52.255%0.55126%0.258SS*.  trans-71.70176-90.9-34.4000111.9R513 I703R513-N707 VanDerWaalsContact NH2-CA 3.33Å; R513-N707 PolarHBondContact NH2-O 2.97Å; I703-N707 WeakPolarHBondContact O-CB 3.43Å; I703-N707 PolarHBondContact O-N 3.2Å; I703-N707 PolarHBondContact O-ND2 3.06Å

Retrieved 707 of 707 residues in 1144.7 ms (Link to these results)

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