A0A060X962_ONCMY Loading...

Guanine nucleotide binding protein (G protein), alpha transducing activity polypeptide 1

AlphaFold DB (A0A1S3P1X8), UniProt , Accession A0A060X962, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 350 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
1M48.4Very low64Low255 Ų255103.5 Ų103.5100%1.25663%0.631SS**  062.80-70.7-171.1-90.700110.7
2G53.8Low65.8Low66 Ų6699.6 Ų99.668%0.6861%0.611SS**  trans-144.51.8-168.900000117.6
3A52.4Low67.5Low87 Ų87102.6 Ų102.672%0.71961%0.611SS**SBendtrans-100.7-24.1-179.900000113.7
4G51.5Low68.9Low46 Ų46104 Ų10447%0.47461%0.608SS.*Hα-helixtrans-73.6-43.3179.700000113.8S6 A7 E8G4-S6 VanDerWaalsContact C-N 3.27Å; G4-S6 PolarHBondContact O-N 3.41Å; G4-A7 PolarHBondContact O-N 2.87Å; G4-E8 PolarHBondContact O-N 2.99Å
5A55.6Low70.2Confident61 Ų61103.3 Ų103.350%0.50460%0.6SS.*Hα-helixtrans-62.4-29.7-17800000113.8D9A5-D9 WeakPolarHBondContact O-CB 3.45Å; A5-D9 PolarHBondContact O-N 3.41Å
6S65.5Low71.4Confident64 Ų64104.5 Ų104.545%0.44860%0.598SS.*Hα-helixtrans-76.2-30.7-179.8178.60000113.3G4 K10G4-S6 VanDerWaalsContact C-N 3.27Å; G4-S6 PolarHBondContact O-N 3.41Å; S6-K10 VanDerWaalsContact O-CG 3.32Å; S6-K10 WeakPolarHBondContact O-CG 3.28Å; S6-K10 PolarHBondContact O-N 3.37Å
7A67.3Low72.5Confident63 Ų63106.2 Ų106.252%0.52160%0.597SS.*Hα-helixtrans-77.8-39.2175.500000111.2G4 K10 H11G4-A7 PolarHBondContact O-N 2.87Å; A7-K10 PolarHBondContact O-N 3.45Å; A7-H11 WeakPolarHBondContact O-CB 3.22Å; A7-H11 PolarHBondContact O-N 2.82Å
8E71.3Confident73.5Confident141 Ų141107.8 Ų107.866%0.65960%0.597SS**Hα-helixtrans-64.6-43.1174.3-70.6174166.100111.8G4 K10 H11 S12G4-E8 PolarHBondContact O-N 2.99Å; E8-K10 VanDerWaalsContact C-N 3.35Å; E8-K10 PolarHBondContact O-N 2.86Å; E8-H11 PolarHBondContact O-N 3.16Å; E8-S12 VanDerWaalsContact O-CB 3.3Å; E8-S12 WeakPolarHBondContact O-CB 3.31Å; E8-S12 PolarHBondContact O-N 3.13Å
9D77.3Confident74.3Confident101 Ų101107.8 Ų107.854%0.5460%0.595SS.*Hα-helixtrans-64.7-36.2175.3-88-9.6000113A5 K13A5-D9 WeakPolarHBondContact O-CB 3.45Å; A5-D9 PolarHBondContact O-N 3.41Å; D9-K13 WeakPolarHBondContact O-CB 3.26Å; D9-K13 VanDerWaalsContact O-CG 3.3Å; D9-K13 WeakPolarHBondContact O-CG 3.25Å; D9-K13 PolarHBondContact O-N 2.92Å
10K78.6Confident75Confident136 Ų136109.2 Ų109.259%0.59160%0.595SS**Hα-helixtrans-68.6-45174.9-79.9-179.4-179-175.20111.5S6 A7 E8 S12 K13 E14S6-K10 VanDerWaalsContact O-CG 3.32Å; S6-K10 WeakPolarHBondContact O-CG 3.28Å; S6-K10 PolarHBondContact O-N 3.37Å; A7-K10 PolarHBondContact O-N 3.45Å; E8-K10 VanDerWaalsContact C-N 3.35Å; E8-K10 PolarHBondContact O-N 2.86Å; K10-S12 VanDerWaalsContact C-N 3.33Å; K10-S12 PolarHBondContact O-N 3.01Å; K10-K13 PolarHBondContact O-N 3.39Å; K10-E14 WeakPolarHBondContact O-CG 3.47Å; K10-E14 PolarHBondContact O-N 3.24Å
11H81.8Confident75.5Confident119 Ų119108.6 Ų108.655%0.55159%0.588SS**Hα-helixtrans-63.4-40.9177.2-170.756.3000111.6A7 E8 E14 L15A7-H11 WeakPolarHBondContact O-CB 3.22Å; A7-H11 PolarHBondContact O-N 2.82Å; E8-H11 PolarHBondContact O-N 3.16Å; H11-E14 PolarHBondContact O-N 2.72Å; H11-L15 WeakPolarHBondContact O-CB 3.42Å; H11-L15 PolarHBondContact O-N 2.84Å
12S86.6Confident77.2Confident56 Ų56100.9 Ų100.939%0.39255%0.552SS.*Hα-helixtrans-60.5-47.2174.7-169.30000111.8E8 K10 E14 L15 E16E8-S12 VanDerWaalsContact O-CB 3.3Å; E8-S12 WeakPolarHBondContact O-CB 3.31Å; E8-S12 PolarHBondContact O-N 3.13Å; K10-S12 VanDerWaalsContact C-N 3.33Å; K10-S12 PolarHBondContact O-N 3.01Å; S12-E14 PolarHBondContact O-N 2.69Å; S12-L15 WeakPolarHBondContact O-CB 3.49Å; S12-L15 PolarHBondContact O-N 3.11Å; S12-L15 VanDerWaalsContact O-N 3.15Å; S12-E16 WeakPolarHBondContact O-CG 3.4Å; S12-E16 PolarHBondContact O-N 2.87Å
13K86.9Confident78.5Confident139 Ų139100.6 Ų100.660%0.60454%0.543SS*.Hα-helixtrans-63.5-37.2176.2-75.8175.4-178.3176.80113.4D9 K10 L15 K17D9-K13 WeakPolarHBondContact O-CB 3.26Å; D9-K13 VanDerWaalsContact O-CG 3.3Å; D9-K13 WeakPolarHBondContact O-CG 3.25Å; D9-K13 PolarHBondContact O-N 2.92Å; K10-K13 PolarHBondContact O-N 3.39Å; K13-L15 VanDerWaalsContact C-N 3.34Å; K13-K17 VanDerWaalsContact O-CB 3.32Å; K13-K17 WeakPolarHBondContact O-CB 3.23Å; K13-K17 PolarHBondContact O-N 2.99Å
14E88.2Confident79.8Confident122 Ų122101.1 Ų101.157%0.5753%0.531SS*.Hα-helixtrans-66-38.4173.6-76.5176.1-176.300111.7K10 H11 S12 K17 K18K10-E14 WeakPolarHBondContact O-CG 3.47Å; K10-E14 PolarHBondContact O-N 3.24Å; H11-E14 PolarHBondContact O-N 2.72Å; S12-E14 PolarHBondContact O-N 2.69Å; E14-K17 PolarHBondContact O-N 3.19Å; E14-K18 WeakPolarHBondContact O-CG 3.3Å; E14-K18 PolarHBondContact O-N 3.07Å
15L88.4Confident81Confident93 Ų93104.2 Ų104.249%0.48753%0.531SS..Hα-helixtrans-67.3-45.9176.2-149.499.1000111.4H11 S12 K13 K17 K18 L19H11-L15 WeakPolarHBondContact O-CB 3.42Å; H11-L15 PolarHBondContact O-N 2.84Å; S12-L15 WeakPolarHBondContact O-CB 3.49Å; S12-L15 PolarHBondContact O-N 3.11Å; S12-L15 VanDerWaalsContact O-N 3.15Å; K13-L15 VanDerWaalsContact C-N 3.34Å; L15-K17 VanDerWaalsContact C-N 3.3Å; L15-K17 PolarHBondContact O-N 3.31Å; L15-K18 PolarHBondContact O-N 2.96Å; L15-L19 HydrophobicContact CD2-CD1 4.24Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.12Å
16E89.3Confident82.1Confident123 Ų123106 Ų10658%0.57553%0.532SS*.Hα-helixtrans-60-40.9175-75.7-179.5172.200111.8S12 L19 K20S12-E16 WeakPolarHBondContact O-CG 3.4Å; S12-E16 PolarHBondContact O-N 2.87Å; E16-L19 PolarHBondContact O-N 2.85Å; E16-K20 WeakPolarHBondContact O-CB 3.36Å; E16-K20 PolarHBondContact O-N 3.12Å
17K90.4Very high82.6Confident134 Ų134107 Ų10758%0.58354%0.544SS*.Hα-helixtrans-61.7-47.6175-173.3-177.2176.2-1640111.1K13 E14 L15 K20 E21K13-K17 VanDerWaalsContact O-CB 3.32Å; K13-K17 WeakPolarHBondContact O-CB 3.23Å; K13-K17 PolarHBondContact O-N 2.99Å; E14-K17 PolarHBondContact O-N 3.19Å; L15-K17 VanDerWaalsContact C-N 3.3Å; L15-K17 PolarHBondContact O-N 3.31Å; K17-K20 PolarHBondContact O-N 3.34Å; K17-E21 WeakPolarHBondContact CE-OE1 3.47Å; K17-E21 IonicContact NZ-OE1 3.84Å; K17-E21 WeakPolarHBondContact O-CG 3.42Å; K17-E21 PolarHBondContact O-N 3.18Å
18K89.8Confident83.2Confident135 Ų135111.6 Ų111.659%0.58755%0.548SS*.Hα-helixtrans-61.2-44.9176-79-176.8176.1-1780112.2E14 L15 K20 E21 D22E14-K18 WeakPolarHBondContact O-CG 3.3Å; E14-K18 PolarHBondContact O-N 3.07Å; L15-K18 PolarHBondContact O-N 2.96Å; K18-K20 VanDerWaalsContact C-N 3.27Å; K18-K20 PolarHBondContact O-N 3.37Å; K18-E21 PolarHBondContact O-N 3.21Å; K18-D22 WeakPolarHBondContact O-CB 3.38Å; K18-D22 VanDerWaalsContact O-CG 3.3Å; K18-D22 PolarHBondContact O-N 3.18Å
19L88.7Confident84Confident107 Ų107105.8 Ų105.856%0.5652%0.522SS*.Hα-helixtrans-60.2-38.4177.4-74.7170000111.9L15 E16 A23L15-L19 HydrophobicContact CD2-CD1 4.24Å; L15-L19 WeakPolarHBondContact O-CB 3.47Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.12Å; E16-L19 PolarHBondContact O-N 2.85Å; L19-A23 VanDerWaalsContact O-CB 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 3.21Å
20K87.6Confident84.7Confident136 Ų136101.1 Ų101.159%0.59150%0.497SS*.Hα-helixtrans-68.8-44.1175.8-171.2179.8175.9-173.70111.8E16 K17 K18 A23 E24E16-K20 WeakPolarHBondContact O-CB 3.36Å; E16-K20 PolarHBondContact O-N 3.12Å; K17-K20 PolarHBondContact O-N 3.34Å; K18-K20 VanDerWaalsContact C-N 3.27Å; K18-K20 PolarHBondContact O-N 3.37Å; K20-A23 PolarHBondContact O-N 2.62Å; K20-E24 VanDerWaalsContact CE-OE1 3.25Å; K20-E24 WeakPolarHBondContact CE-OE1 3.12Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.46Å
21E86.3Confident85.3Confident96 Ų9697.5 Ų97.545%0.44948%0.482SS..Hα-helixtrans-61.6-43.3175.7-73172.7174.700111.5K17 K18 E24 K25K17-E21 WeakPolarHBondContact CE-OE1 3.47Å; K17-E21 IonicContact NZ-OE1 3.84Å; K17-E21 WeakPolarHBondContact O-CG 3.42Å; K17-E21 PolarHBondContact O-N 3.18Å; K18-E21 PolarHBondContact O-N 3.21Å; E21-E24 PolarHBondContact O-N 2.96Å; E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 PolarHBondContact O-N 2.59Å
22D83.5Confident86Confident94 Ų9491.9 Ų91.950%0.50346%0.455SS..Hα-helixtrans-65-42.2176.2-72.5-22.6000111.3K18 K25 D26K18-D22 WeakPolarHBondContact O-CB 3.38Å; K18-D22 VanDerWaalsContact O-CG 3.3Å; K18-D22 PolarHBondContact O-N 3.18Å; D22-K25 PolarHBondContact O-N 3.32Å; D22-D26 WeakPolarHBondContact O-CB 3.12Å; D22-D26 PolarHBondContact O-N 2.64Å
23A80.9Confident86.4Confident60 Ų6089.2 Ų89.250%0.49644%0.437SS..Hα-helixtrans-64.1-40.517600000112.5L19 K20 A27L19-A23 VanDerWaalsContact O-CB 3.23Å; L19-A23 WeakPolarHBondContact O-CB 3.49Å; L19-A23 PolarHBondContact O-N 3.21Å; K20-A23 PolarHBondContact O-N 2.62Å; A23-A27 VanDerWaalsContact O-CB 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.39Å; A23-A27 PolarHBondContact O-N 3.38Å
24E79.7Confident86.9Confident98 Ų9882.6 Ų82.646%0.45841%0.408SS..Hα-helixtrans-66.2-38.3175-75.4178.2-16900111.7K20 E21 R28K20-E24 VanDerWaalsContact CE-OE1 3.25Å; K20-E24 WeakPolarHBondContact CE-OE1 3.12Å; K20-E24 WeakPolarHBondContact O-CG 3.48Å; K20-E24 PolarHBondContact O-N 3.46Å; E21-E24 PolarHBondContact O-N 2.96Å; E24-R28 PolarHBondContact O-N 2.9Å
25K77.8Confident87.3Confident111 Ų11176.8 Ų76.848%0.48338%0.381SS..Hα-helixtrans-67.5-44.5175.5-173.4178.6177.5-176.20111.7E21 D22 A27 R28 T29E21-K25 WeakPolarHBondContact O-CB 3.38Å; E21-K25 PolarHBondContact O-N 2.59Å; D22-K25 PolarHBondContact O-N 3.32Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 2.99Å; K25-R28 CarbonylContact O-C 3.56Å; K25-R28 PolarHBondContact O-N 3.35Å; K25-R28 VanDerWaalsContact O-N 3.15Å; K25-T29 PolarHBondContact O-N 3.44Å; K25-T29 PolarHBondContact O-OG1 3.37Å
26D78.3Confident87.7Confident97 Ų9772.3 Ų72.352%0.51936%0.358SS..Hα-helixtrans-64.1-37.8176.9-87.9-4.5000111.4D22 R28 T29D22-D26 WeakPolarHBondContact O-CB 3.12Å; D22-D26 PolarHBondContact O-N 2.64Å; D26-R28 PolarHBondContact O-N 3.15Å; D26-T29 WeakPolarHBondContact O-CB 3.38Å; D26-T29 PolarHBondContact O-N 3.01Å
27A75.7Confident88Confident86 Ų8666.9 Ų66.971%0.71133%0.334SS*.Hα-helixtrans-62.4-25.817500000113.4A23 K25A23-A27 VanDerWaalsContact O-CB 3.3Å; A23-A27 WeakPolarHBondContact O-CB 3.39Å; A23-A27 PolarHBondContact O-N 3.38Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 2.99Å
28R80.3Confident88Confident160 Ų16061.7 Ų61.760%0.60432%0.318SS*.THydrogen-bonded Turntrans-98.47.6176-62.3-178.8-172.3-1724.3113.3E24 K25 D26 N191E24-R28 PolarHBondContact O-N 2.9Å; K25-R28 CarbonylContact O-C 3.56Å; K25-R28 PolarHBondContact O-N 3.35Å; K25-R28 VanDerWaalsContact O-N 3.15Å; D26-R28 PolarHBondContact O-N 3.15Å; R28-N191 PolarHBondContact O-N 3.24Å
29T88.5Confident88Confident19 Ų1957.4 Ų57.412%0.11730%0.3CS..EExtended strand (participates in β ladder)trans-95.5118.8-176.7-65.80000110.7K25 D26 K31 N191 R193K25-T29 PolarHBondContact O-N 3.44Å; K25-T29 PolarHBondContact O-OG1 3.37Å; D26-T29 WeakPolarHBondContact O-CB 3.38Å; D26-T29 PolarHBondContact O-N 3.01Å; T29-K31 HydrophobicContact CG2-CG 4.48Å; T29-N191 CarbonylContact C-O 3.5Å; T29-N191 VanDerWaalsContact CA-O 3.26Å; T29-N191 WeakPolarHBondContact CA-O 3.43Å; T29-R193 HydrophobicContact CG2-CB 4.26Å; T29-R193 HydrophobicContact CG2-CG 3.57Å
30V91.1Very high88.3Confident2 Ų252.4 Ų52.41%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-91117.1174.4177.60000109L32 L190 N191 F192 R193 T215 I339V30-L32 HydrophobicContact CG1-CD2 3.8Å; V30-L32 HydrophobicContact CG1-CG 4.18Å; V30-L190 HydrophobicContact CG2-CB 4.48Å; V30-L190 HydrophobicContact CG2-CD1 4.15Å; V30-L190 HydrophobicContact CG2-CD2 4.49Å; V30-N191 PolarHBondContact N-O 2.94Å; V30-F192 HydrophobicContact CB-CD1 3.79Å; V30-F192 HydrophobicContact CB-CE1 3.84Å; V30-F192 HydrophobicContact CB-CG 4.42Å; V30-F192 HydrophobicContact CB-CZ 4.48Å; V30-F192 HydrophobicContact CG1-CD1 3.77Å; V30-F192 HydrophobicContact CG1-CE1 3.63Å; V30-F192 HydrophobicContact CG2-CE1 4.3Å; V30-F192 WeakPolarHBondContact O-CA 3.28Å; V30-R193 PolarHBondContact O-N 3.02Å; V30-T215 HydrophobicContact CG1-CG2 4.04Å; V30-I339 HydrophobicContact CG1-CD1 4.12Å; V30-I339 HydrophobicContact CG1-CG2 3.9Å; V30-I339 HydrophobicContact CG2-CG2 4.11Å
31K92.6Very high88.7Confident61 Ų6146.4 Ų46.427%0.26525%0.251SS..EExtended strand (participates in β ladder)trans-92.9114.8176.4-65.6-174.3-172.8170.70110T29 R193 F195 G213 T215 C216T29-K31 HydrophobicContact CG2-CG 4.48Å; K31-R193 CarbonylContact C-O 3.58Å; K31-R193 WeakPolarHBondContact CA-O 3.5Å; K31-R193 HydrophobicContact CG-CB 4.44Å; K31-F195 HydrophobicContact CB-CE2 4.28Å; K31-F195 HydrophobicContact CD-CE2 4.46Å; K31-F195 HydrophobicContact CG-CE2 4.31Å; K31-G213 WeakPolarHBondContact CD-O 3.29Å; K31-T215 PolarHBondContact N-OG1 2.85Å; K31-T215 WeakPolarHBondContact O-CB 3.43Å; K31-T215 PolarHBondContact O-N 2.85Å; K31-C216 PolarHBondContact O-N 2.79Å
32L94.8Very high89.1Confident0 Ų042.3 Ų42.30%023%0.232CC..EExtended strand (participates in β ladder)trans-105.3126177.5-60.4-177.3000110.5V30 F192 R193 M194 F195 C216 I218 F332 I339V30-L32 HydrophobicContact CG1-CD2 3.8Å; V30-L32 HydrophobicContact CG1-CG 4.18Å; L32-F192 HydrophobicContact CD1-CD1 3.55Å; L32-F192 HydrophobicContact CD1-CE1 4.04Å; L32-F192 HydrophobicContact CG-CD1 3.94Å; L32-F192 HydrophobicContact CG-CE1 4.47Å; L32-R193 PolarHBondContact N-O 3.32Å; L32-M194 HydrophobicContact CB-CB 4.48Å; L32-M194 HydrophobicContact CB-CG 4.42Å; L32-M194 HydrophobicContact CD1-CE 3.8Å; L32-M194 CarbonylContact O-C 3.42Å; L32-M194 WeakPolarHBondContact O-CA 3.45Å; L32-F195 PolarHBondContact O-N 3.08Å; L32-C216 WeakPolarHBondContact CA-O 3.1Å; L32-C216 HydrophobicContact CD2-CB 3.8Å; L32-I218 HydrophobicContact CD1-CD1 4.12Å; L32-F332 HydrophobicContact CD1-CE2 3.79Å; L32-F332 HydrophobicContact CD1-CZ 3.51Å; L32-I339 HydrophobicContact CD2-CD1 3.64Å
33L96.1Very high89.7Confident0 Ų039.5 Ų39.50%022%0.219CC..EExtended strand (participates in β ladder)trans-107.2117.3175.7-176.860.1000110.2L35 F195 V197 C210 F211 V214 C216 I217 I218 F255L33-L35 HydrophobicContact CD1-CD2 4.26Å; L33-L35 HydrophobicContact CD2-CD1 4.02Å; L33-L35 HydrophobicContact CD2-CD2 4.06Å; L33-L35 HydrophobicContact CD2-CG 4.13Å; L33-L35 HydrophobicContact CG-CD1 4.32Å; L33-L35 HydrophobicContact CG-CD2 3.9Å; L33-L35 HydrophobicContact CG-CG 3.91Å; L33-F195 HydrophobicContact CD1-CB 3.83Å; L33-V197 HydrophobicContact CD1-CG1 4.3Å; L33-C210 HydrophobicContact CD1-CB 3.66Å; L33-C210 HydrophobicContact CD2-CB 4.49Å; L33-F211 HydrophobicContact CD2-CD1 3.65Å; L33-F211 HydrophobicContact CD2-CE1 3.77Å; L33-V214 HydrophobicContact CB-CG1 3.81Å; L33-V214 HydrophobicContact CB-CG2 4.01Å; L33-V214 HydrophobicContact CD2-CG2 4.09Å; L33-C216 PolarHBondContact N-O 3.47Å; L33-C216 VanDerWaalsContact N-O 3.1Å; L33-I217 WeakPolarHBondContact O-CA 3.42Å; L33-I218 PolarHBondContact O-N 3.36Å; L33-F255 HydrophobicContact CD2-CZ 4.16Å
34L96.9Very high90.4Very high0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-85.9117175.3-58.1-169.1000110.1K42 I45 V46 M194 F195 D196 V197 I218 I220L34-K42 HydrophobicContact CB-CB 4.35Å; L34-K42 HydrophobicContact CB-CD 4.34Å; L34-K42 HydrophobicContact CB-CG 4.29Å; L34-K42 HydrophobicContact CD1-CB 4.3Å; L34-I45 HydrophobicContact CD1-CB 4.46Å; L34-I45 HydrophobicContact CD1-CG2 4.41Å; L34-V46 HydrophobicContact CD1-CG2 3.58Å; L34-M194 HydrophobicContact CD1-CG 4.04Å; L34-M194 HydrophobicContact CD1-SD 3.72Å; L34-M194 HydrophobicContact CD2-CE 4.37Å; L34-M194 HydrophobicContact CD2-CG 4.15Å; L34-M194 HydrophobicContact CD2-SD 4.05Å; L34-M194 HydrophobicContact CG-CG 3.83Å; L34-M194 HydrophobicContact CG-SD 4.02Å; L34-F195 WeakPolarHBondContact CB-O 3.23Å; L34-F195 PolarHBondContact N-O 3.23Å; L34-D196 HydrophobicContact CD1-CB 4.38Å; L34-V197 WeakPolarHBondContact O-CG2 2.9Å; L34-I218 WeakPolarHBondContact CA-O 3.21Å; L34-I218 HydrophobicContact CD2-CB 3.66Å; L34-I218 HydrophobicContact CD2-CD1 3.96Å; L34-I218 HydrophobicContact CD2-CG1 4.26Å; L34-I218 HydrophobicContact CD2-CG2 4.1Å; L34-I220 HydrophobicContact CD2-CD1 4.5Å
35L97.1Very high91.2Very high0 Ų033.3 Ų33.30%018%0.182CC..EExtended strand (participates in β ladder)trans-121.7160.1178-62-179.7000111.2L33 V197 W207 I217 I218 F219 I220 I249L33-L35 HydrophobicContact CD1-CD2 4.26Å; L33-L35 HydrophobicContact CD2-CD1 4.02Å; L33-L35 HydrophobicContact CD2-CD2 4.06Å; L33-L35 HydrophobicContact CD2-CG 4.13Å; L33-L35 HydrophobicContact CG-CD1 4.32Å; L33-L35 HydrophobicContact CG-CD2 3.9Å; L33-L35 HydrophobicContact CG-CG 3.91Å; L35-V197 HydrophobicContact CD2-CG2 3.69Å; L35-W207 HydrophobicContact CB-CZ3 4.5Å; L35-W207 HydrophobicContact CD2-CD2 3.84Å; L35-W207 HydrophobicContact CD2-CE3 3.65Å; L35-W207 HydrophobicContact CD2-CG 4.41Å; L35-W207 HydrophobicContact CD2-CH2 4.26Å; L35-W207 HydrophobicContact CD2-CZ2 4.43Å; L35-W207 HydrophobicContact CD2-CZ3 3.86Å; L35-I217 HydrophobicContact CB-CG2 4.39Å; L35-I217 HydrophobicContact CD1-CG2 3.9Å; L35-I217 HydrophobicContact CG-CG2 4.22Å; L35-I218 PolarHBondContact N-O 3.09Å; L35-F219 HydrophobicContact CB-CD2 3.98Å; L35-F219 CarbonylContact O-C 3.59Å; L35-F219 WeakPolarHBondContact O-CA 3.4Å; L35-I220 PolarHBondContact O-N 3.46Å; L35-I249 HydrophobicContact CD1-CD1 3.84Å; L35-I249 HydrophobicContact CD1-CG1 4.04Å; L35-I249 HydrophobicContact CD1-CG2 3.73Å
36G96.8Very high92.1Very high0 Ų028.9 Ų28.90%017%0.165CC..  trans145163.6178.400000112.3K42 G199 I220G36-K42 PolarHBondContact O-NZ 3.17Å; G36-G199 VanDerWaalsContact O-CA 3.31Å; G36-G199 WeakPolarHBondContact O-CA 3.41Å; G36-I220 WeakPolarHBondContact CA-O 3.11Å
37A94.6Very high92.9Very high9 Ų925.5 Ų25.57%0.07415%0.145CC..SBendtrans-60.1168.5-179.400000112.8S40 K42A37-S40 WeakPolarHBondContact O-CB 3.42Å; A37-S40 PolarHBondContact O-N 2.85Å; A37-S40 PolarHBondContact O-OG 2.93Å; A37-S40 VanDerWaalsContact O-OG 3.14Å; A37-K42 PolarHBondContact O-NZ 3.36Å
38G90.1Very high93.9Very high25 Ų2521.4 Ų21.426%0.25811%0.111SC..THydrogen-bonded Turntrans-52.4143.6171.600000111.2S40 G199G38-S40 PolarHBondContact O-N 2.73Å; G38-G199 PolarHBondContact N-O 3.12Å
39E90.2Very high94.6Very high44 Ų4413.8 Ų13.821%0.2068%0.082CC..THydrogen-bonded Turntrans60.712.8176.4-53.3171.6-161.700115.9G41 R174 R238 K266E39-G41 PolarHBondContact O-N 3.39Å; E39-R174 VanDerWaalsContact CD-CZ 3.42Å; E39-R174 VanDerWaalsContact CD-NH2 3.34Å; E39-R174 IonicContact OE1-CZ 3.29Å; E39-R174 IonicContact OE1-NH1 2.77Å; E39-R174 PolarHBondContact OE1-NH1 3.42Å; E39-R174 IonicContact OE1-NH2 2.9Å; E39-R174 PolarHBondContact OE1-NH2 2.91Å; E39-R174 IonicContact OE2-NH1 2.71Å; E39-R174 PolarHBondContact OE2-NH1 3Å; E39-R238 IonicContact OE1-NH2 3.81Å; E39-R238 IonicContact OE2-CZ 2.79Å; E39-R238 IonicContact OE2-NH1 3.56Å; E39-R238 PolarHBondContact OE2-NH1 2.82Å; E39-R238 IonicContact OE2-NH2 3.8Å; E39-R238 PolarHBondContact OE2-NH2 3.15Å; E39-K266 WeakPolarHBondContact O-CE 3.47Å; E39-K266 PolarHBondContact O-NZ 3.01Å
40S95.3Very high94.8Very high3 Ų314.7 Ų14.72%0.0219%0.085CC..SBendtrans-70.7-16.4-179.767.90000114.6A37 G38 I220 N265A37-S40 WeakPolarHBondContact O-CB 3.42Å; A37-S40 PolarHBondContact O-N 2.85Å; A37-S40 PolarHBondContact O-OG 2.93Å; A37-S40 VanDerWaalsContact O-OG 3.14Å; G38-S40 PolarHBondContact O-N 2.73Å; S40-I220 WeakPolarHBondContact CB-O 3.46Å; S40-I220 VanDerWaalsContact O-CG2 3.23Å; S40-I220 WeakPolarHBondContact O-CG2 3.45Å; S40-I220 PolarHBondContact OG-O 2.82Å; S40-N265 PolarHBondContact O-ND2 3.39Å
41G95.7Very high95Very high10 Ų1015.6 Ų15.610%0.1039%0.089CC..SBendtrans110.912.2178.300000115.6E39 S43 T44 I45E39-G41 PolarHBondContact O-N 3.39Å; G41-S43 PolarHBondContact O-N 3.32Å; G41-T44 WeakPolarHBondContact O-CB 3.27Å; G41-T44 PolarHBondContact O-N 2.99Å; G41-I45 PolarHBondContact O-N 3.06Å
42K95.9Very high95Very high10 Ų1014.3 Ų14.34%0.0439%0.085CC..Hα-helixtrans-52.8-55.4178.2-62.7179.7-67-64.40113.3L34 G36 A37 T44 I45 V46 D196 V197 I220L34-K42 HydrophobicContact CB-CB 4.35Å; L34-K42 HydrophobicContact CB-CD 4.34Å; L34-K42 HydrophobicContact CB-CG 4.29Å; L34-K42 HydrophobicContact CD1-CB 4.3Å; G36-K42 PolarHBondContact O-NZ 3.17Å; A37-K42 PolarHBondContact O-NZ 3.36Å; K42-T44 PolarHBondContact O-N 2.97Å; K42-I45 WeakPolarHBondContact O-CA 3.2Å; K42-I45 WeakPolarHBondContact O-CB 3.45Å; K42-I45 PolarHBondContact O-N 3.28Å; K42-V46 PolarHBondContact O-N 3.16Å; K42-V46 VanDerWaalsContact O-N 3.11Å; K42-D196 WeakPolarHBondContact CB-OD1 3.08Å; K42-V197 WeakPolarHBondContact CE-O 3.39Å; K42-I220 HydrophobicContact CB-CD1 4.28Å; K42-I220 HydrophobicContact CG-CB 4.37Å; K42-I220 HydrophobicContact CG-CD1 3.96Å
43S95.6Very high94.9Very high34 Ų3416.6 Ų16.624%0.23810%0.096CC..Hα-helixtrans-65.5-28.2-179-460000112.3G41 V46 K47 T177 D196G41-S43 PolarHBondContact O-N 3.32Å; S43-V46 PolarHBondContact O-N 3.39Å; S43-K47 VanDerWaalsContact O-CG 3.29Å; S43-K47 WeakPolarHBondContact O-CG 3.31Å; S43-K47 PolarHBondContact O-N 2.99Å; S43-T177 PolarHBondContact OG-OG1 3.01Å; S43-D196 WeakPolarHBondContact CA-OD2 3.49Å; S43-D196 WeakPolarHBondContact CB-OD2 3.4Å; S43-D196 PolarHBondContact OG-OD2 3.43Å
44T96.5Very high94.6Very high28 Ų2819.6 Ų19.617%0.17211%0.11CC..Hα-helixtrans-65.3-40.4171.8-49.40000111.3G41 K42 V46 K47 Q48 L171 A322 T323G41-T44 WeakPolarHBondContact O-CB 3.27Å; G41-T44 PolarHBondContact O-N 2.99Å; K42-T44 PolarHBondContact O-N 2.97Å; T44-V46 VanDerWaalsContact C-N 3.33Å; T44-V46 PolarHBondContact O-N 3.49Å; T44-K47 PolarHBondContact O-N 3Å; T44-Q48 WeakPolarHBondContact O-CG 3.29Å; T44-Q48 PolarHBondContact O-N 3.05Å; T44-L171 HydrophobicContact CG2-CB 4.49Å; T44-L171 HydrophobicContact CG2-CD2 4.02Å; T44-A322 HydrophobicContact CG2-CB 3.68Å; T44-A322 WeakPolarHBondContact CG2-O 3.36Å; T44-T323 HydrophobicContact CG2-CG2 4.32Å
45I96.6Very high94.4Very high1 Ų127.9 Ų27.91%0.00515%0.154CC..Hα-helixtrans-62.3-40173-64.2-61.3000111.3L34 G41 K42 Q48 M49 M194 I220 F263 A322 V328L34-I45 HydrophobicContact CD1-CB 4.46Å; L34-I45 HydrophobicContact CD1-CG2 4.41Å; G41-I45 PolarHBondContact O-N 3.06Å; K42-I45 WeakPolarHBondContact O-CA 3.2Å; K42-I45 WeakPolarHBondContact O-CB 3.45Å; K42-I45 PolarHBondContact O-N 3.28Å; I45-Q48 WeakPolarHBondContact O-CB 3.47Å; I45-Q48 PolarHBondContact O-N 3.4Å; I45-M49 WeakPolarHBondContact O-CG 3.41Å; I45-M49 PolarHBondContact O-N 2.78Å; I45-M194 HydrophobicContact CG2-SD 4.5Å; I45-I220 HydrophobicContact CB-CD1 4.25Å; I45-I220 HydrophobicContact CG1-CD1 3.72Å; I45-F263 HydrophobicContact CD1-CD2 4.29Å; I45-F263 HydrophobicContact CD1-CE2 4.25Å; I45-F263 HydrophobicContact CG1-CD2 4.42Å; I45-A322 HydrophobicContact CD1-CB 3.69Å; I45-A322 HydrophobicContact CG1-CB 4.23Å; I45-V328 HydrophobicContact CD1-CG1 4.24Å; I45-V328 HydrophobicContact CD1-CG2 3.94Å
46V94.9Very high94.1Very high18 Ų1828.3 Ų28.311%0.10916%0.158CC..Hα-helixtrans-62.3-45.8174.4178.10000111.8L34 K42 S43 T44 Q48 M49 K50 T183 M194 D196L34-V46 HydrophobicContact CD1-CG2 3.58Å; K42-V46 PolarHBondContact O-N 3.16Å; K42-V46 VanDerWaalsContact O-N 3.11Å; S43-V46 PolarHBondContact O-N 3.39Å; T44-V46 VanDerWaalsContact C-N 3.33Å; T44-V46 PolarHBondContact O-N 3.49Å; V46-Q48 PolarHBondContact O-N 3.17Å; V46-M49 WeakPolarHBondContact O-CB 3.41Å; V46-M49 PolarHBondContact O-N 3.28Å; V46-K50 PolarHBondContact O-N 3.06Å; V46-T183 HydrophobicContact CG1-CG2 4.35Å; V46-T183 WeakPolarHBondContact CG1-OG1 3.49Å; V46-M194 HydrophobicContact CG2-SD 3.98Å; V46-D196 HydrophobicContact CG2-CB 3.65Å
47K95.7Very high94Very high25 Ų2530.2 Ų30.211%0.10917%0.166CC..Hα-helixtrans-57.4-38.9175.6-67.9175.8177-178.90111.5S43 T44 K50 I51 Y57 M170 L171 S173S43-K47 VanDerWaalsContact O-CG 3.29Å; S43-K47 WeakPolarHBondContact O-CG 3.31Å; S43-K47 PolarHBondContact O-N 2.99Å; T44-K47 PolarHBondContact O-N 3Å; K47-K50 WeakPolarHBondContact O-CB 3.31Å; K47-K50 PolarHBondContact O-N 3.25Å; K47-I51 PolarHBondContact O-N 3.46Å; K47-I51 VanDerWaalsContact O-N 3.1Å; K47-Y57 WeakPolarHBondContact CA-OH 3.28Å; K47-Y57 VanDerWaalsContact CB-OH 3.29Å; K47-Y57 WeakPolarHBondContact CB-OH 3.07Å; K47-Y57 VanDerWaalsContact CG-OH 3.28Å; K47-Y57 WeakPolarHBondContact CG-OH 3.4Å; K47-M170 WeakPolarHBondContact CD-O 3.45Å; K47-M170 PolarHBondContact NZ-O 2.96Å; K47-L171 HydrophobicContact CB-CD2 3.83Å; K47-S173 PolarHBondContact NZ-O 3.23Å; K47-S173 PolarHBondContact NZ-OG 3.45Å
48Q96.3Very high94.1Very high0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-63.5-39.9174.2-70.9-74.116.500112.6T44 I45 V46 K50 I51 I52 L171 A322 T325 V328T44-Q48 WeakPolarHBondContact O-CG 3.29Å; T44-Q48 PolarHBondContact O-N 3.05Å; I45-Q48 WeakPolarHBondContact O-CB 3.47Å; I45-Q48 PolarHBondContact O-N 3.4Å; V46-Q48 PolarHBondContact O-N 3.17Å; Q48-K50 PolarHBondContact O-N 3.47Å; Q48-I51 PolarHBondContact O-N 3.01Å; Q48-I51 VanDerWaalsContact O-N 3.15Å; Q48-I52 HydrophobicContact CB-CD1 4.11Å; Q48-I52 WeakPolarHBondContact O-CB 3.47Å; Q48-I52 WeakPolarHBondContact O-CD1 3.36Å; Q48-I52 WeakPolarHBondContact O-CG1 3.43Å; Q48-I52 PolarHBondContact O-N 2.88Å; Q48-L171 HydrophobicContact CG-CD2 3.68Å; Q48-A322 VanDerWaalsContact CG-O 3.28Å; Q48-A322 WeakPolarHBondContact CG-O 3.41Å; Q48-A322 PolarHBondContact NE2-O 2.79Å; Q48-T325 PolarHBondContact NE2-OG1 3.13Å; Q48-T325 PolarHBondContact OE1-OG1 2.9Å; Q48-V328 HydrophobicContact CB-CB 4.4Å; Q48-V328 HydrophobicContact CB-CG1 3.78Å; Q48-V328 HydrophobicContact CG-CB 4.3Å; Q48-V328 HydrophobicContact CG-CG1 4.16Å; Q48-V328 HydrophobicContact CG-CG2 4.11Å
49M94.6Very high94.4Very high0 Ų036.3 Ų36.30%020%0.195CC..Hα-helixtrans-61.1-35.2176.7-62.5-5893.600111.9I45 V46 I52 H53 F185 M194 V328 F332I45-M49 WeakPolarHBondContact O-CG 3.41Å; I45-M49 PolarHBondContact O-N 2.78Å; V46-M49 WeakPolarHBondContact O-CB 3.41Å; V46-M49 PolarHBondContact O-N 3.28Å; M49-I52 HydrophobicContact CE-CD1 4.1Å; M49-H53 WeakPolarHBondContact O-CA 3.36Å; M49-H53 WeakPolarHBondContact O-CB 3.49Å; M49-H53 PolarHBondContact O-N 2.91Å; M49-F185 HydrophobicContact CB-CD1 3.99Å; M49-F185 HydrophobicContact CB-CE1 3.76Å; M49-F185 HydrophobicContact CB-CZ 4.16Å; M49-F185 HydrophobicContact CG-CD1 4.41Å; M49-F185 HydrophobicContact CG-CE1 3.68Å; M49-F185 HydrophobicContact CG-CZ 3.78Å; M49-F185 HydrophobicContact SD-CE1 4.05Å; M49-F185 HydrophobicContact SD-CE2 3.96Å; M49-F185 HydrophobicContact SD-CZ 3.49Å; M49-F185 WeakPolarHBondContact SD-CZ 3.47Å; M49-M194 HydrophobicContact CG-CE 3.6Å; M49-M194 HydrophobicContact CG-SD 3.81Å; M49-M194 HydrophobicContact SD-CE 3.94Å; M49-V328 HydrophobicContact CE-CG1 3.71Å; M49-F332 HydrophobicContact CE-CB 4.4Å; M49-F332 HydrophobicContact CE-CD2 4Å; M49-F332 HydrophobicContact CE-CE2 4.48Å; M49-F332 HydrophobicContact CE-CG 4.06Å; M49-F332 HydrophobicContact SD-CD1 4.09Å; M49-F332 HydrophobicContact SD-CD2 3.8Å; M49-F332 HydrophobicContact SD-CE1 4.02Å; M49-F332 HydrophobicContact SD-CE2 3.71Å; M49-F332 HydrophobicContact SD-CG 3.99Å; M49-F332 HydrophobicContact SD-CZ 3.83Å
50K93.7Very high94.6Very high38 Ų3841.4 Ų41.417%0.16522%0.218CC..Hα-helixtrans-65.9-46.5173.3179.9159178.6170.70112.2V46 K47 Q48 I52 Q54 G56 Y57 E61V46-K50 PolarHBondContact O-N 3.06Å; K47-K50 WeakPolarHBondContact O-CB 3.31Å; K47-K50 PolarHBondContact O-N 3.25Å; Q48-K50 PolarHBondContact O-N 3.47Å; K50-I52 PolarHBondContact O-N 3.42Å; K50-Q54 HydrophobicContact CG-CB 4.23Å; K50-Q54 CarbonylContact O-C 3.4Å; K50-Q54 WeakPolarHBondContact O-CA 3.22Å; K50-Q54 WeakPolarHBondContact O-CB 3.4Å; K50-Q54 PolarHBondContact O-N 3.44Å; K50-G56 WeakPolarHBondContact CE-O 3.31Å; K50-G56 PolarHBondContact O-N 2.95Å; K50-Y57 HydrophobicContact CD-CD1 4Å; K50-Y57 HydrophobicContact CD-CE1 3.58Å; K50-Y57 HydrophobicContact CD-CE2 4.4Å; K50-Y57 HydrophobicContact CG-CE1 4.36Å; K50-Y57 HydrophobicContact CG-CE2 4.33Å; K50-E61 WeakPolarHBondContact CE-OE2 3.41Å; K50-E61 IonicContact NZ-OE1 3.17Å; K50-E61 PolarHBondContact NZ-OE1 3.46Å; K50-E61 IonicContact NZ-OE2 3.4Å; K50-E61 PolarHBondContact NZ-OE2 3.32Å
51I94.9Very high94.6Very high21 Ų2144.3 Ų44.311%0.10823%0.232CC..Hα-helixtrans-61-43.9177.2-68.2164.4000112K47 Q48 Y57 E167 L171 T325K47-I51 PolarHBondContact O-N 3.46Å; K47-I51 VanDerWaalsContact O-N 3.1Å; Q48-I51 PolarHBondContact O-N 3.01Å; Q48-I51 VanDerWaalsContact O-N 3.15Å; I51-Y57 HydrophobicContact CD1-CE2 4.04Å; I51-Y57 HydrophobicContact CG1-CD2 4.02Å; I51-Y57 HydrophobicContact CG1-CE2 3.74Å; I51-E167 HydrophobicContact CD1-CB 4.18Å; I51-E167 HydrophobicContact CD1-CG 4.34Å; I51-L171 HydrophobicContact CD1-CD1 3.96Å; I51-L171 HydrophobicContact CD1-CD2 3.86Å; I51-L171 HydrophobicContact CD1-CG 3.82Å; I51-T325 HydrophobicContact CG2-CG2 4.24Å
52I93.8Very high94.6Very high35 Ų3544.2 Ų44.218%0.17923%0.229CC..Hα-helixtrans-82.8-36.8-171.4-61.4163.9000111.7Q48 M49 K50 T325 V328 K329Q48-I52 HydrophobicContact CB-CD1 4.11Å; Q48-I52 WeakPolarHBondContact O-CB 3.47Å; Q48-I52 WeakPolarHBondContact O-CD1 3.36Å; Q48-I52 WeakPolarHBondContact O-CG1 3.43Å; Q48-I52 PolarHBondContact O-N 2.88Å; M49-I52 HydrophobicContact CE-CD1 4.1Å; K50-I52 PolarHBondContact O-N 3.42Å; I52-T325 HydrophobicContact CD1-CG2 4.28Å; I52-T325 HydrophobicContact CG1-CG2 3.89Å; I52-V328 HydrophobicContact CD1-CB 4.33Å; I52-V328 HydrophobicContact CD1-CG1 3.98Å; I52-K329 HydrophobicContact CB-CG 4.37Å; I52-K329 HydrophobicContact CD1-CG 3.56Å; I52-K329 HydrophobicContact CG1-CD 4.44Å; I52-K329 HydrophobicContact CG1-CG 3.76Å; I52-K329 HydrophobicContact CG2-CD 4.28Å; I52-K329 HydrophobicContact CG2-CG 3.63Å
53H91.7Very high94.6Very high47 Ų4747.9 Ų47.922%0.21825%0.248CC..Hα-helixtrans-124.10.4-166.6-55.8-63.9000115M49 F185M49-H53 WeakPolarHBondContact O-CA 3.36Å; M49-H53 WeakPolarHBondContact O-CB 3.49Å; M49-H53 PolarHBondContact O-N 2.91Å; H53-F185 HydrophobicContact CB-CB 3.93Å; H53-F185 HydrophobicContact CB-CD2 3.83Å; H53-F185 HydrophobicContact CB-CG 4.13Å; H53-F185 AromaticContact CD2-CD2 3.69Å; H53-F185 AromaticContact CD2-CE2 3.74Å; H53-F185 AromaticContact CG-CD2 3.85Å
54Q90.6Very high94.5Very high64 Ų6452.4 Ų52.430%0.29927%0.265SS..SBendtrans-135.837.3-178.5-57-178.1-22.100113.1K50 G56 Q184 F185K50-Q54 HydrophobicContact CG-CB 4.23Å; K50-Q54 CarbonylContact O-C 3.4Å; K50-Q54 WeakPolarHBondContact O-CA 3.22Å; K50-Q54 WeakPolarHBondContact O-CB 3.4Å; K50-Q54 PolarHBondContact O-N 3.44Å; Q54-G56 PolarHBondContact O-N 3.45Å; Q54-Q184 PolarHBondContact NE2-O 3.19Å; Q54-F185 HydrophobicContact CG-CB 4.08Å
55D90.9Very high94.5Very high174 Ų17452.2 Ų52.293%0.9326%0.262SS*.  trans58.617.1176.5-55.4-47.2000115.5
56G92.4Very high94.5Very high8 Ų853.2 Ų53.28%0.08227%0.268CS..  trans79.6-154.8177.600000114.6K50 Q54K50-G56 WeakPolarHBondContact CE-O 3.31Å; K50-G56 PolarHBondContact O-N 2.95Å; Q54-G56 PolarHBondContact O-N 3.45Å
57Y94.6Very high94.5Very high40 Ų4055.8 Ų55.816%0.15728%0.284CS..  trans-103.4135.7179.7-69.9-88.5000110K47 K50 I51 E61 F65 M170K47-Y57 WeakPolarHBondContact CA-OH 3.28Å; K47-Y57 VanDerWaalsContact CB-OH 3.29Å; K47-Y57 WeakPolarHBondContact CB-OH 3.07Å; K47-Y57 VanDerWaalsContact CG-OH 3.28Å; K47-Y57 WeakPolarHBondContact CG-OH 3.4Å; K50-Y57 HydrophobicContact CD-CD1 4Å; K50-Y57 HydrophobicContact CD-CE1 3.58Å; K50-Y57 HydrophobicContact CD-CE2 4.4Å; K50-Y57 HydrophobicContact CG-CE1 4.36Å; K50-Y57 HydrophobicContact CG-CE2 4.33Å; I51-Y57 HydrophobicContact CD1-CE2 4.04Å; I51-Y57 HydrophobicContact CG1-CD2 4.02Å; I51-Y57 HydrophobicContact CG1-CE2 3.74Å; Y57-E61 WeakPolarHBondContact CA-OE2 3.3Å; Y57-E61 HydrophobicContact CD1-CB 4.18Å; Y57-F65 HydrophobicContact CD1-CE2 4.04Å; Y57-F65 AromaticContact CE1-CE2 3.9Å; Y57-F65 HydrophobicContact CE1-CE2 3.9Å; Y57-F65 HydrophobicContact CE1-CZ 4.12Å; Y57-M170 HydrophobicContact CD1-SD 4.29Å; Y57-M170 HydrophobicContact CD2-CE 3.78Å; Y57-M170 HydrophobicContact CD2-SD 3.96Å; Y57-M170 HydrophobicContact CG-CE 3.99Å; Y57-M170 HydrophobicContact CG-SD 3.8Å
58S95.9Very high94.5Very high53 Ų5356.8 Ų56.837%0.37129%0.29SS..  trans-67.3165.8172.184.20000110.7E60 E61 S62S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.06Å; S58-E60 PolarHBondContact OG-N 3.34Å; S58-E61 PolarHBondContact N-OE2 3.43Å; S58-E61 PolarHBondContact O-N 2.91Å; S58-E61 WeakPolarHBondContact OG-CG 3.46Å; S58-E61 PolarHBondContact OG-N 3.44Å; S58-E61 VanDerWaalsContact OG-N 3.14Å; S58-S62 WeakPolarHBondContact O-CB 3.46Å; S58-S62 PolarHBondContact O-N 3.38Å; S58-S62 PolarHBondContact O-OG 3.37Å
59L95.6Very high94.6Very high109 Ų10956.8 Ų56.857%0.57129%0.29SS*.Hα-helixtrans-59.6-42.8174.1178.961.9000111.1S62 M63 I164L59-S62 PolarHBondContact O-N 3.11Å; L59-M63 HydrophobicContact CD1-CG 4.3Å; L59-M63 VanDerWaalsContact O-CG 3.24Å; L59-M63 WeakPolarHBondContact O-CG 3.41Å; L59-M63 PolarHBondContact O-N 3.4Å; L59-I164 HydrophobicContact CD1-CD1 3.86Å; L59-I164 HydrophobicContact CD1-CG1 4.15Å; L59-I164 HydrophobicContact CD1-CG2 3.88Å
60E95.3Very high94.7Very high151 Ų15158.3 Ų58.371%0.70630%0.296SS*.Hα-helixtrans-59.6-48.7178.6-174.9173.8-167.200111.1S58 S62 M63 E64S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.06Å; S58-E60 PolarHBondContact OG-N 3.34Å; E60-S62 VanDerWaalsContact C-N 3.34Å; E60-S62 PolarHBondContact O-N 2.9Å; E60-M63 PolarHBondContact O-N 3.36Å; E60-E64 PolarHBondContact O-N 3Å
61E94.8Very high94.8Very high64 Ų6457.3 Ų57.330%0.29929%0.294SS..Hα-helixtrans-64.4-39.2177.6-65.7175.714100111.9K50 Y57 S58 M63 E64 F65K50-E61 WeakPolarHBondContact CE-OE2 3.41Å; K50-E61 IonicContact NZ-OE1 3.17Å; K50-E61 PolarHBondContact NZ-OE1 3.46Å; K50-E61 IonicContact NZ-OE2 3.4Å; K50-E61 PolarHBondContact NZ-OE2 3.32Å; Y57-E61 WeakPolarHBondContact CA-OE2 3.3Å; Y57-E61 HydrophobicContact CD1-CB 4.18Å; S58-E61 PolarHBondContact N-OE2 3.43Å; S58-E61 PolarHBondContact O-N 2.91Å; S58-E61 WeakPolarHBondContact OG-CG 3.46Å; S58-E61 PolarHBondContact OG-N 3.44Å; S58-E61 VanDerWaalsContact OG-N 3.14Å; E61-M63 VanDerWaalsContact C-N 3.27Å; E61-M63 PolarHBondContact O-N 2.85Å; E61-E64 WeakPolarHBondContact O-CB 3.15Å; E61-E64 PolarHBondContact O-N 3.49Å; E61-F65 VanDerWaalsContact O-CD2 3.22Å; E61-F65 WeakPolarHBondContact O-CD2 3.41Å
62S96.3Very high94.9Very high8 Ų856.7 Ų56.76%0.05629%0.291CS..Hα-helixtrans-63.1-37.4177.8-58.40000111.1S58 L59 E60 E64 F65 P165S58-S62 WeakPolarHBondContact O-CB 3.46Å; S58-S62 PolarHBondContact O-N 3.38Å; S58-S62 PolarHBondContact O-OG 3.37Å; L59-S62 PolarHBondContact O-N 3.11Å; E60-S62 VanDerWaalsContact C-N 3.34Å; E60-S62 PolarHBondContact O-N 2.9Å; S62-E64 VanDerWaalsContact C-N 3.31Å; S62-E64 PolarHBondContact O-N 3.33Å; S62-F65 WeakPolarHBondContact O-CB 3.49Å; S62-F65 PolarHBondContact O-N 3.37Å; S62-P165 VanDerWaalsContact O-CG 3.28Å; S62-P165 WeakPolarHBondContact O-CG 3.39Å
63M96Very high95.1Very high88 Ų8855 Ų5543%0.43328%0.282SS..Hα-helixtrans-67.9-29.1178.2-69-58-66.400112.8L59 E60 E61 F65 V66 I164L59-M63 HydrophobicContact CD1-CG 4.3Å; L59-M63 VanDerWaalsContact O-CG 3.24Å; L59-M63 WeakPolarHBondContact O-CG 3.41Å; L59-M63 PolarHBondContact O-N 3.4Å; E60-M63 PolarHBondContact O-N 3.36Å; E61-M63 VanDerWaalsContact C-N 3.27Å; E61-M63 PolarHBondContact O-N 2.85Å; M63-F65 PolarHBondContact O-N 2.98Å; M63-V66 HydrophobicContact CE-CG2 4.3Å; M63-V66 WeakPolarHBondContact O-CB 3.42Å; M63-V66 WeakPolarHBondContact O-CG2 3.41Å; M63-V66 PolarHBondContact O-N 3.07Å; M63-V66 VanDerWaalsContact O-N 3.15Å; M63-V66 HydrophobicContact SD-CG2 4.4Å; M63-I164 HydrophobicContact SD-CG1 4.21Å
64E94.3Very high95.3Very high129 Ų12953.8 Ų53.860%0.60328%0.277SS*.Hα-helixtrans-62.2-25.8173.8-62.3-179.9175.300112.5E60 E61 S62 V66E60-E64 PolarHBondContact O-N 3Å; E61-E64 WeakPolarHBondContact O-CB 3.15Å; E61-E64 PolarHBondContact O-N 3.49Å; S62-E64 VanDerWaalsContact C-N 3.31Å; S62-E64 PolarHBondContact O-N 3.33Å; E64-V66 VanDerWaalsContact C-N 3.31Å; E64-V66 PolarHBondContact O-N 3.15Å
65F96.7Very high95.5Very high24 Ų2455.8 Ų55.811%0.10529%0.286CS..Hα-helixtrans-75-16.6177.7-74.9-85.6000114Y57 E61 S62 M63 T67 I68 I69 P165 M170 S173Y57-F65 HydrophobicContact CD1-CE2 4.04Å; Y57-F65 AromaticContact CE1-CE2 3.9Å; Y57-F65 HydrophobicContact CE1-CE2 3.9Å; Y57-F65 HydrophobicContact CE1-CZ 4.12Å; E61-F65 VanDerWaalsContact O-CD2 3.22Å; E61-F65 WeakPolarHBondContact O-CD2 3.41Å; S62-F65 WeakPolarHBondContact O-CB 3.49Å; S62-F65 PolarHBondContact O-N 3.37Å; M63-F65 PolarHBondContact O-N 2.98Å; F65-T67 PolarHBondContact O-N 3.34Å; F65-I68 HydrophobicContact CD1-CD1 4.03Å; F65-I68 HydrophobicContact CE1-CD1 4.4Å; F65-I68 PolarHBondContact O-N 3.3Å; F65-I69 HydrophobicContact CB-CD1 4.01Å; F65-I69 WeakPolarHBondContact O-CB 3.44Å; F65-I69 WeakPolarHBondContact O-CD1 3.41Å; F65-I69 VanDerWaalsContact O-CG1 3.22Å; F65-I69 WeakPolarHBondContact O-CG1 3.42Å; F65-I69 PolarHBondContact O-N 2.98Å; F65-P165 HydrophobicContact CB-CB 4.44Å; F65-P165 HydrophobicContact CB-CG 4.32Å; F65-M170 HydrophobicContact CB-CG 4.03Å; F65-M170 HydrophobicContact CD1-CB 4.39Å; F65-M170 HydrophobicContact CD1-CG 4.23Å; F65-M170 HydrophobicContact CD2-CB 4.42Å; F65-M170 HydrophobicContact CD2-CG 3.7Å; F65-M170 HydrophobicContact CD2-SD 3.57Å; F65-M170 VanDerWaalsContact CD2-SD 3.57Å; F65-M170 HydrophobicContact CE1-CB 4.49Å; F65-M170 HydrophobicContact CE2-CG 4.2Å; F65-M170 HydrophobicContact CE2-SD 3.88Å; F65-M170 HydrophobicContact CG-CB 4.35Å; F65-M170 HydrophobicContact CG-CG 3.72Å; F65-M170 HydrophobicContact CG-SD 4.22Å; F65-S173 VanDerWaalsContact CD1-OG 3.24Å; F65-S173 WeakPolarHBondContact CD1-OG 3.2Å; F65-S173 WeakPolarHBondContact CE1-OG 3.25Å
66V96.4Very high95.8Very high21 Ų2147.7 Ų47.713%0.12724%0.243CC..Hα-helixtrans-57.9-50.9-178.1174.60000110.6M63 E64 I68 I69 Y70 Y163 P165M63-V66 HydrophobicContact CE-CG2 4.3Å; M63-V66 WeakPolarHBondContact O-CB 3.42Å; M63-V66 WeakPolarHBondContact O-CG2 3.41Å; M63-V66 PolarHBondContact O-N 3.07Å; M63-V66 VanDerWaalsContact O-N 3.15Å; M63-V66 HydrophobicContact SD-CG2 4.4Å; E64-V66 VanDerWaalsContact C-N 3.31Å; E64-V66 PolarHBondContact O-N 3.15Å; V66-I68 VanDerWaalsContact C-N 3.29Å; V66-I68 PolarHBondContact O-N 3.45Å; V66-I69 PolarHBondContact O-N 2.99Å; V66-Y70 HydrophobicContact CG1-CD2 3.93Å; V66-Y70 HydrophobicContact CG1-CE1 4.39Å; V66-Y70 HydrophobicContact CG1-CE2 3.49Å; V66-Y70 VanDerWaalsContact CG1-CE2 3.49Å; V66-Y70 PolarHBondContact O-N 3.44Å; V66-Y163 HydrophobicContact CG2-CD1 4.38Å; V66-Y163 HydrophobicContact CG2-CE1 4.4Å; V66-P165 HydrophobicContact CG2-CG 3.59Å
67T95Very high96.1Very high73 Ų7347.3 Ų47.345%0.44824%0.239SC..Hα-helixtrans-59.6-40.5178.3-55.80000111.6F65 S71 G113F65-T67 PolarHBondContact O-N 3.34Å; T67-S71 VanDerWaalsContact O-CB 3.31Å; T67-S71 WeakPolarHBondContact O-CB 3.29Å; T67-S71 PolarHBondContact O-N 3.33Å; T67-G113 WeakPolarHBondContact O-CA 3.4Å
68I95.8Very high96.2Very high45 Ų4546.8 Ų46.823%0.23124%0.239CC..Hα-helixtrans-65.9-45.9178.2-61.2168.3000110.6F65 V66 S71 N72 V175F65-I68 HydrophobicContact CD1-CD1 4.03Å; F65-I68 HydrophobicContact CE1-CD1 4.4Å; F65-I68 PolarHBondContact O-N 3.3Å; V66-I68 VanDerWaalsContact C-N 3.29Å; V66-I68 PolarHBondContact O-N 3.45Å; I68-S71 PolarHBondContact O-N 2.7Å; I68-N72 WeakPolarHBondContact O-CB 3.1Å; I68-N72 PolarHBondContact O-N 2.79Å; I68-N72 PolarHBondContact O-ND2 3.37Å; I68-V175 HydrophobicContact CD1-CG2 3.79Å; I68-V175 HydrophobicContact CG1-CG2 4.28Å; I68-V175 HydrophobicContact CG2-CG2 3.68Å
69I97.5Very high96.3Very high0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-63.5-46.9-179.4-71159000109.9F65 V66 S71 N72 T73 Y151 L158 P165 D169F65-I69 HydrophobicContact CB-CD1 4.01Å; F65-I69 WeakPolarHBondContact O-CB 3.44Å; F65-I69 WeakPolarHBondContact O-CD1 3.41Å; F65-I69 VanDerWaalsContact O-CG1 3.22Å; F65-I69 WeakPolarHBondContact O-CG1 3.42Å; F65-I69 PolarHBondContact O-N 2.98Å; V66-I69 PolarHBondContact O-N 2.99Å; I69-S71 PolarHBondContact O-N 2.61Å; I69-N72 PolarHBondContact O-N 3.12Å; I69-T73 PolarHBondContact O-N 3.03Å; I69-T73 PolarHBondContact O-OG1 3.43Å; I69-Y151 HydrophobicContact CB-CE1 4.39Å; I69-Y151 HydrophobicContact CG1-CE1 4.1Å; I69-Y151 HydrophobicContact CG2-CD1 3.83Å; I69-Y151 HydrophobicContact CG2-CE1 3.61Å; I69-L158 HydrophobicContact CG2-CD1 4.19Å; I69-L158 HydrophobicContact CG2-CD2 4.42Å; I69-P165 HydrophobicContact CD1-CB 3.78Å; I69-P165 HydrophobicContact CD1-CG 3.84Å; I69-D169 HydrophobicContact CD1-CB 3.73Å
70Y97.1Very high96.4Very high32 Ų3240.1 Ų40.113%0.12520%0.203CC..Hα-helixtrans-60.7-44.1176.2-69.9-11.8000112.4V66 N72 T73 L74 G113 M115 L158 V159V66-Y70 HydrophobicContact CG1-CD2 3.93Å; V66-Y70 HydrophobicContact CG1-CE1 4.39Å; V66-Y70 HydrophobicContact CG1-CE2 3.49Å; V66-Y70 VanDerWaalsContact CG1-CE2 3.49Å; V66-Y70 PolarHBondContact O-N 3.44Å; Y70-N72 PolarHBondContact O-N 3.49Å; Y70-T73 PolarHBondContact O-N 3.38Å; Y70-L74 WeakPolarHBondContact O-CB 3.4Å; Y70-L74 PolarHBondContact O-N 3.27Å; Y70-G113 WeakPolarHBondContact CD2-O 3.26Å; Y70-M115 HydrophobicContact CD1-CB 4.01Å; Y70-M115 HydrophobicContact CD1-CE 4.24Å; Y70-M115 HydrophobicContact CD1-CG 4.47Å; Y70-M115 HydrophobicContact CD2-CB 3.54Å; Y70-M115 HydrophobicContact CE1-CB 4.17Å; Y70-M115 HydrophobicContact CE2-CB 3.71Å; Y70-M115 HydrophobicContact CG-CB 3.7Å; Y70-M115 HydrophobicContact CG-CE 4.21Å; Y70-L158 HydrophobicContact CE1-CB 4.42Å; Y70-L158 WeakPolarHBondContact CE1-O 3.47Å; Y70-L158 PolarHBondContact OH-O 2.78Å; Y70-V159 HydrophobicContact CE1-CG1 4.43Å
71S95.5Very high96.5Very high18 Ų1833.3 Ų33.313%0.12617%0.171CC..Hα-helixtrans-60.3-45174.7-177.10000111.6T67 I68 I69 T73 L74 Q75T67-S71 VanDerWaalsContact O-CB 3.31Å; T67-S71 WeakPolarHBondContact O-CB 3.29Å; T67-S71 PolarHBondContact O-N 3.33Å; I68-S71 PolarHBondContact O-N 2.7Å; I69-S71 PolarHBondContact O-N 2.61Å; S71-T73 PolarHBondContact O-N 2.92Å; S71-L74 PolarHBondContact O-N 3.29Å; S71-Q75 WeakPolarHBondContact O-CB 3.34Å; S71-Q75 WeakPolarHBondContact O-CG 3.42Å; S71-Q75 PolarHBondContact O-N 3.24Å; S71-Q75 PolarHBondContact OG-NE2 2.97Å
72N96.4Very high96.6Very high7 Ų735.7 Ų35.74%0.03718%0.181CC..Hα-helixtrans-62.6-40.3176.6-70.9-179.5000112.7I68 I69 Y70 S76 Y151 R174I68-N72 WeakPolarHBondContact O-CB 3.1Å; I68-N72 PolarHBondContact O-N 2.79Å; I68-N72 PolarHBondContact O-ND2 3.37Å; I69-N72 PolarHBondContact O-N 3.12Å; Y70-N72 PolarHBondContact O-N 3.49Å; N72-S76 VanDerWaalsContact O-CB 3.32Å; N72-S76 WeakPolarHBondContact O-CB 3.34Å; N72-S76 PolarHBondContact O-N 3.47Å; N72-S76 PolarHBondContact O-OG 3.31Å; N72-Y151 HydrophobicContact CB-CE2 4.24Å; N72-R174 PolarHBondContact ND2-O 2.89Å; N72-R174 PolarHBondContact OD1-N 3.5Å; N72-R174 PolarHBondContact OD1-O 2.98Å
73T97.4Very high96.6Very high0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-65.1-47.5177.6-56.80000111.2I69 Y70 S71 S76 I77 M115 Y151 L152 L155I69-T73 PolarHBondContact O-N 3.03Å; I69-T73 PolarHBondContact O-OG1 3.43Å; Y70-T73 PolarHBondContact O-N 3.38Å; S71-T73 PolarHBondContact O-N 2.92Å; T73-S76 WeakPolarHBondContact O-CB 3.48Å; T73-S76 PolarHBondContact O-N 3.18Å; T73-I77 PolarHBondContact O-N 3.06Å; T73-I77 VanDerWaalsContact O-N 3.11Å; T73-M115 HydrophobicContact CG2-CE 4.49Å; T73-Y151 WeakPolarHBondContact OG1-CB 3.45Å; T73-L152 HydrophobicContact CG2-CD2 3.91Å; T73-L155 HydrophobicContact CG2-CD1 4Å
74L96.7Very high96.7Very high21 Ų2131.2 Ų31.211%0.1116%0.158CC..Hα-helixtrans-61.5-47.5177.6179.257.9000111.6Y70 S71 S76 I77 M78 L103 A107 I110 L119 I123Y70-L74 WeakPolarHBondContact O-CB 3.4Å; Y70-L74 PolarHBondContact O-N 3.27Å; S71-L74 PolarHBondContact O-N 3.29Å; L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 3.38Å; L74-I77 HydrophobicContact CD1-CG2 4.42Å; L74-I77 WeakPolarHBondContact O-CG2 3.48Å; L74-I77 PolarHBondContact O-N 2.76Å; L74-M78 HydrophobicContact CD1-CG 4.18Å; L74-M78 HydrophobicContact CD1-SD 4.03Å; L74-M78 HydrophobicContact CG-SD 3.9Å; L74-M78 WeakPolarHBondContact O-CB 3.36Å; L74-M78 VanDerWaalsContact O-CG 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.33Å; L74-M78 PolarHBondContact O-N 3.29Å; L74-L103 HydrophobicContact CD1-CD1 3.86Å; L74-A107 HydrophobicContact CD1-CB 4.21Å; L74-A107 HydrophobicContact CD2-CB 4.16Å; L74-A107 HydrophobicContact CG-CB 4.48Å; L74-I110 HydrophobicContact CD2-CD1 4.02Å; L74-L119 HydrophobicContact CD1-CD1 4.14Å; L74-L119 HydrophobicContact CD1-CD2 4.2Å; L74-L119 HydrophobicContact CD2-CD2 4.38Å; L74-I123 HydrophobicContact CD1-CD1 4.32Å
75Q95.6Very high96.7Very high106 Ų10630.5 Ų30.550%0.49516%0.162SC..Hα-helixtrans-60.4-37.6176.5-72.8173.39.600112S71 A79S71-Q75 WeakPolarHBondContact O-CB 3.34Å; S71-Q75 WeakPolarHBondContact O-CG 3.42Å; S71-Q75 PolarHBondContact O-N 3.24Å; S71-Q75 PolarHBondContact OG-NE2 2.97Å; Q75-A79 VanDerWaalsContact O-CB 3.3Å; Q75-A79 WeakPolarHBondContact O-CB 3.37Å; Q75-A79 PolarHBondContact O-N 3.38Å
76S97.5Very high96.6Very high4 Ų436 Ų363%0.02819%0.188CC..Hα-helixtrans-64.3-50.1179.5-62.60000111.8N72 T73 L74 M78 A79 I80N72-S76 VanDerWaalsContact O-CB 3.32Å; N72-S76 WeakPolarHBondContact O-CB 3.34Å; N72-S76 PolarHBondContact O-N 3.47Å; N72-S76 PolarHBondContact O-OG 3.31Å; T73-S76 WeakPolarHBondContact O-CB 3.48Å; T73-S76 PolarHBondContact O-N 3.18Å; L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 3.38Å; S76-M78 PolarHBondContact O-N 3.02Å; S76-A79 PolarHBondContact O-N 3.07Å; S76-I80 WeakPolarHBondContact O-CG1 3.46Å; S76-I80 PolarHBondContact O-N 3.07Å; S76-I80 VanDerWaalsContact O-N 3.09Å
77I97.9Very high96.6Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-66.8-37.7178.8-171.665.2000112T73 L74 A79 I80 V81 L103 I123 L126 I132 L152T73-I77 PolarHBondContact O-N 3.06Å; T73-I77 VanDerWaalsContact O-N 3.11Å; L74-I77 HydrophobicContact CD1-CG2 4.42Å; L74-I77 WeakPolarHBondContact O-CG2 3.48Å; L74-I77 PolarHBondContact O-N 2.76Å; I77-A79 VanDerWaalsContact C-N 3.33Å; I77-A79 PolarHBondContact O-N 3.19Å; I77-I80 PolarHBondContact O-N 3.35Å; I77-V81 WeakPolarHBondContact O-CG2 3.48Å; I77-V81 PolarHBondContact O-N 2.85Å; I77-L103 HydrophobicContact CG1-CD2 4.02Å; I77-L103 HydrophobicContact CG2-CD1 4.15Å; I77-L103 HydrophobicContact CG2-CD2 4.07Å; I77-I123 HydrophobicContact CB-CG2 4.14Å; I77-I123 HydrophobicContact CG1-CG2 4.14Å; I77-I123 HydrophobicContact CG2-CD1 3.99Å; I77-I123 HydrophobicContact CG2-CG1 3.96Å; I77-I123 HydrophobicContact CG2-CG2 4.11Å; I77-L126 HydrophobicContact CD1-CB 4.2Å; I77-L126 HydrophobicContact CG1-CD1 4.43Å; I77-I132 HydrophobicContact CD1-CD1 4.43Å; I77-I132 HydrophobicContact CD1-CG2 4.26Å; I77-L152 HydrophobicContact CB-CD2 4.02Å
78M96.9Very high96.7Very high29 Ų2940.2 Ų40.214%0.14321%0.208CC..Hα-helixtrans-63.1-39.3174.9-71.2175.379.400112.1L74 S76 V81 K82 L103 M104 A107L74-M78 HydrophobicContact CD1-CG 4.18Å; L74-M78 HydrophobicContact CD1-SD 4.03Å; L74-M78 HydrophobicContact CG-SD 3.9Å; L74-M78 WeakPolarHBondContact O-CB 3.36Å; L74-M78 VanDerWaalsContact O-CG 3.24Å; L74-M78 WeakPolarHBondContact O-CG 3.33Å; L74-M78 PolarHBondContact O-N 3.29Å; S76-M78 PolarHBondContact O-N 3.02Å; M78-V81 PolarHBondContact O-N 3.37Å; M78-K82 VanDerWaalsContact O-CG 3.31Å; M78-K82 WeakPolarHBondContact O-CG 3.31Å; M78-K82 PolarHBondContact O-N 2.91Å; M78-L103 HydrophobicContact CG-CD2 4.32Å; M78-L103 HydrophobicContact CG-CG 4.48Å; M78-M104 HydrophobicContact CE-SD 3.78Å; M78-M104 HydrophobicContact CG-SD 4.34Å; M78-A107 HydrophobicContact CE-CB 3.67Å; M78-A107 HydrophobicContact SD-CB 3.57Å; M78-A107 VanDerWaalsContact SD-CB 3.57Å
79A97.3Very high96.7Very high23 Ų2339.7 Ų39.719%0.1921%0.205CC..Hα-helixtrans-63.9-40.8175.800000111.5Q75 S76 I77 K82 G83 L144Q75-A79 VanDerWaalsContact O-CB 3.3Å; Q75-A79 WeakPolarHBondContact O-CB 3.37Å; Q75-A79 PolarHBondContact O-N 3.38Å; S76-A79 PolarHBondContact O-N 3.07Å; I77-A79 VanDerWaalsContact C-N 3.33Å; I77-A79 PolarHBondContact O-N 3.19Å; A79-K82 PolarHBondContact O-N 3.46Å; A79-G83 PolarHBondContact O-N 3.2Å; A79-L144 HydrophobicContact CB-CD1 3.86Å
80I98.2Very high96.6Very high0 Ų042.3 Ų42.30%023%0.232CC..Hα-helixtrans-64.9-46176-60.7163.6000110.9S76 I77 K82 G83 M84 W127 I132 C135 Y136 L144 L152S76-I80 WeakPolarHBondContact O-CG1 3.46Å; S76-I80 PolarHBondContact O-N 3.07Å; S76-I80 VanDerWaalsContact O-N 3.09Å; I77-I80 PolarHBondContact O-N 3.35Å; I80-K82 VanDerWaalsContact C-N 3.29Å; I80-K82 PolarHBondContact O-N 2.56Å; I80-G83 CarbonylContact O-C 3.52Å; I80-G83 WeakPolarHBondContact O-CA 3.3Å; I80-G83 PolarHBondContact O-N 2.9Å; I80-M84 WeakPolarHBondContact O-CG 3.44Å; I80-M84 PolarHBondContact O-N 2.78Å; I80-W127 HydrophobicContact CD1-CE3 4.46Å; I80-W127 HydrophobicContact CD1-CZ3 3.82Å; I80-I132 HydrophobicContact CG2-CD1 4.13Å; I80-I132 HydrophobicContact CG2-CG2 4.03Å; I80-C135 HydrophobicContact CG2-CB 4Å; I80-C135 PolarHBondContact O-SG 2.68Å; I80-Y136 HydrophobicContact CD1-CD2 4.04Å; I80-L144 HydrophobicContact CD1-CD1 4.42Å; I80-L144 HydrophobicContact CD1-CD2 4.25Å; I80-L144 HydrophobicContact CG1-CD1 3.9Å; I80-L144 HydrophobicContact CG1-CD2 3.93Å; I80-L152 HydrophobicContact CD1-CD1 3.7Å
81V97.1Very high96.6Very high7 Ų743 Ų434%0.04224%0.235CC..Hα-helixtrans-59.7-39.6176.5171.10000111.7I77 M78 M84 L103 M104 I132I77-V81 WeakPolarHBondContact O-CG2 3.48Å; I77-V81 PolarHBondContact O-N 2.85Å; M78-V81 PolarHBondContact O-N 3.37Å; V81-M84 PolarHBondContact O-N 3.26Å; V81-L103 HydrophobicContact CG2-CD2 4.05Å; V81-M104 HydrophobicContact CB-CE 4.07Å; V81-M104 HydrophobicContact CG1-CE 3.63Å; V81-I132 HydrophobicContact CG2-CD1 3.82Å
82K96.4Very high96.5Very high114 Ų11444.5 Ų44.550%0.49625%0.252SS..Hα-helixtrans-66-41.4173.2-72.1173.4-176.5179.10111.7M78 A79 I80 M84 T85 Q86 M104M78-K82 VanDerWaalsContact O-CG 3.31Å; M78-K82 WeakPolarHBondContact O-CG 3.31Å; M78-K82 PolarHBondContact O-N 2.91Å; A79-K82 PolarHBondContact O-N 3.46Å; I80-K82 VanDerWaalsContact C-N 3.29Å; I80-K82 PolarHBondContact O-N 2.56Å; K82-M84 VanDerWaalsContact C-N 3.3Å; K82-M84 PolarHBondContact O-N 3.36Å; K82-T85 WeakPolarHBondContact O-CB 3.24Å; K82-T85 PolarHBondContact O-N 2.89Å; K82-Q86 PolarHBondContact O-N 3.11Å; K82-M104 HydrophobicContact CG-CE 3.96Å
83G97.3Very high96.3Very high0 Ų047.8 Ų47.80%027%0.27CS..Hα-helixtrans-58.5-38.4174.800000112.7A79 I80 T85 Q86 L87A79-G83 PolarHBondContact O-N 3.2Å; I80-G83 CarbonylContact O-C 3.52Å; I80-G83 WeakPolarHBondContact O-CA 3.3Å; I80-G83 PolarHBondContact O-N 2.9Å; G83-T85 VanDerWaalsContact C-N 3.3Å; G83-T85 PolarHBondContact O-N 3.15Å; G83-Q86 PolarHBondContact O-N 3.2Å; G83-Q86 VanDerWaalsContact O-N 3.12Å; G83-L87 WeakPolarHBondContact O-CB 3.33Å; G83-L87 WeakPolarHBondContact O-CG 3.36Å; G83-L87 PolarHBondContact O-N 3.42Å
84M96.9Very high95.7Very high3 Ų353 Ų532%0.01530%0.302CS..Hα-helixtrans-57.8-43.7175.8-70.1-177.276.800111.9I80 V81 K82 N88 I89 Y91 I132 C135I80-M84 WeakPolarHBondContact O-CG 3.44Å; I80-M84 PolarHBondContact O-N 2.78Å; V81-M84 PolarHBondContact O-N 3.26Å; K82-M84 VanDerWaalsContact C-N 3.3Å; K82-M84 PolarHBondContact O-N 3.36Å; M84-N88 WeakPolarHBondContact O-CA 3.4Å; M84-N88 PolarHBondContact O-N 2.93Å; M84-I89 HydrophobicContact CB-CB 4.43Å; M84-I89 HydrophobicContact CE-CG2 4.12Å; M84-I89 WeakPolarHBondContact CE-O 3.37Å; M84-I89 PolarHBondContact O-N 2.84Å; M84-Y91 HydrophobicContact CE-CD1 3.78Å; M84-Y91 HydrophobicContact CE-CD2 4.22Å; M84-Y91 HydrophobicContact CE-CE1 3.89Å; M84-Y91 HydrophobicContact CE-CE2 4.31Å; M84-Y91 HydrophobicContact CE-CG 3.96Å; M84-Y91 HydrophobicContact SD-CD1 4.19Å; M84-Y91 HydrophobicContact SD-CE1 3.74Å; M84-I132 HydrophobicContact CG-CD1 4.46Å; M84-I132 HydrophobicContact SD-CD1 3.28Å; M84-I132 WeakPolarHBondContact SD-CD1 3.48Å; M84-I132 HydrophobicContact SD-CG1 3.72Å; M84-C135 HydrophobicContact CG-CB 3.59Å; M84-C135 PolarHBondContact N-SG 3.22Å
85T94.8Very high95.3Very high113 Ų11354.2 Ų54.269%0.69332%0.315SS*.Hα-helixtrans-64.6-42.4176.6-55.30000111.5K82 G83 N88K82-T85 WeakPolarHBondContact O-CB 3.24Å; K82-T85 PolarHBondContact O-N 2.89Å; G83-T85 VanDerWaalsContact C-N 3.3Å; G83-T85 PolarHBondContact O-N 3.15Å; T85-N88 PolarHBondContact O-N 3.12Å
86Q94.8Very high95Very high139 Ų13950.4 Ų50.465%0.6530%0.297SS*.Hα-helixtrans-65.4-41.2179.6-69.3176.3-17.800112.3K82 G83 N88K82-Q86 PolarHBondContact O-N 3.11Å; G83-Q86 PolarHBondContact O-N 3.2Å; G83-Q86 VanDerWaalsContact O-N 3.12Å; Q86-N88 VanDerWaalsContact C-N 3.3Å
87L96.4Very high94.7Very high31 Ų3154.5 Ų54.516%0.16232%0.316CS..THydrogen-bonded Turntrans-88.82.1-178.2-59.5-177.3000113.3G83 I89 R138 E141 Y142G83-L87 WeakPolarHBondContact O-CB 3.33Å; G83-L87 WeakPolarHBondContact O-CG 3.36Å; G83-L87 PolarHBondContact O-N 3.42Å; L87-I89 VanDerWaalsContact C-N 3.32Å; L87-I89 HydrophobicContact CB-CD1 3.73Å; L87-I89 HydrophobicContact CB-CG1 3.83Å; L87-I89 HydrophobicContact CD1-CD1 4.02Å; L87-I89 PolarHBondContact O-N 3.29Å; L87-R138 HydrophobicContact CD1-CB 3.83Å; L87-E141 HydrophobicContact CD1-CB 4.42Å; L87-E141 HydrophobicContact CD2-CB 4Å; L87-E141 WeakPolarHBondContact CD2-OE2 3.43Å; L87-Y142 HydrophobicContact CD1-CD1 3.98Å; L87-Y142 HydrophobicContact CD1-CE1 4Å
88N96.6Very high94.5Very high153 Ų15358.1 Ų58.182%0.81834%0.336SS*.THydrogen-bonded Turntrans52.346.3-176.5-167.740.1000113.1M84 T85 Q86M84-N88 WeakPolarHBondContact O-CA 3.4Å; M84-N88 PolarHBondContact O-N 2.93Å; T85-N88 PolarHBondContact O-N 3.12Å; Q86-N88 VanDerWaalsContact C-N 3.3Å
89I96.9Very high94.4Very high33 Ų3357.3 Ų57.317%0.16933%0.332CS..PPolyproline II helixtrans-97123.1178.9-59.1173.1000108.9M84 L87 C135M84-I89 HydrophobicContact CB-CB 4.43Å; M84-I89 HydrophobicContact CE-CG2 4.12Å; M84-I89 WeakPolarHBondContact CE-O 3.37Å; M84-I89 PolarHBondContact O-N 2.84Å; L87-I89 VanDerWaalsContact C-N 3.32Å; L87-I89 HydrophobicContact CB-CD1 3.73Å; L87-I89 HydrophobicContact CB-CG1 3.83Å; L87-I89 HydrophobicContact CD1-CD1 4.02Å; L87-I89 PolarHBondContact O-N 3.29Å; I89-C135 HydrophobicContact CD1-CB 3.8Å
90G95.9Very high94.2Very high55 Ų5556.8 Ų56.857%0.56733%0.327SS*.PPolyproline II helixtrans-78155.2172.800000112.2G131G90-G131 WeakPolarHBondContact O-CA 3.38Å
91Y96.3Very high94Very high48 Ų4864.4 Ų64.419%0.18836%0.355CS..PPolyproline II helixtrans-67.2148.4170-63.3-90.3000110.6M84 D93 Q96 Q97 S100 L126 I132M84-Y91 HydrophobicContact CE-CD1 3.78Å; M84-Y91 HydrophobicContact CE-CD2 4.22Å; M84-Y91 HydrophobicContact CE-CE1 3.89Å; M84-Y91 HydrophobicContact CE-CE2 4.31Å; M84-Y91 HydrophobicContact CE-CG 3.96Å; M84-Y91 HydrophobicContact SD-CD1 4.19Å; M84-Y91 HydrophobicContact SD-CE1 3.74Å; Y91-D93 VanDerWaalsContact CB-O 3.3Å; Y91-D93 WeakPolarHBondContact CB-O 3.18Å; Y91-Q96 HydrophobicContact CD1-CB 3.69Å; Y91-Q96 HydrophobicContact CE1-CB 4.37Å; Y91-Q96 HydrophobicContact CG-CB 4.24Å; Y91-Q97 HydrophobicContact CD2-CB 4.45Å; Y91-Q97 HydrophobicContact CD2-CG 3.37Å; Y91-Q97 HydrophobicContact CE2-CG 3.8Å; Y91-Q97 HydrophobicContact CG-CG 4.11Å; Y91-S100 WeakPolarHBondContact OH-CB 3.4Å; Y91-S100 PolarHBondContact OH-OG 3.36Å; Y91-L126 HydrophobicContact CE1-CD2 4.31Å; Y91-I132 HydrophobicContact CE1-CD1 4.34Å; Y91-I132 HydrophobicContact CE1-CG1 4.4Å
92G93.5Very high93.9Very high48 Ų4869 Ų6950%0.49538%0.375SS..SBendtrans-67.4-39.8173.600000112.3D129 T130G92-D129 WeakPolarHBondContact CA-OD2 3.37Å; G92-D129 PolarHBondContact N-OD1 3.03Å; G92-D129 VanDerWaalsContact N-OD1 3.11Å; G92-D129 PolarHBondContact N-OD2 2.84Å; G92-T130 VanDerWaalsContact CA-OG1 3.25Å; G92-T130 WeakPolarHBondContact CA-OG1 3.4Å
93D91.4Very high93.8Very high77 Ų7763.6 Ų63.641%0.41235%0.351SS..SBendtrans-120135.5172.5169.912.6000110.8Y91 A95 Q96 D129Y91-D93 VanDerWaalsContact CB-O 3.3Å; Y91-D93 WeakPolarHBondContact CB-O 3.18Å; D93-A95 PolarHBondContact O-N 2.88Å; D93-A95 PolarHBondContact OD1-N 3.29Å; D93-Q96 VanDerWaalsContact C-OE1 3.27Å; D93-Q96 WeakPolarHBondContact O-CB 3.32Å; D93-Q96 PolarHBondContact O-N 3.21Å; D93-Q96 PolarHBondContact O-OE1 3.25Å; D93-Q96 PolarHBondContact OD2-OE1 3.09Å; D93-Q96 VanDerWaalsContact OD2-OE1 3.12Å; D93-D129 PolarHBondContact N-OD2 3.03Å
94T86.4Confident93.7Very high108 Ų10866 Ų6666%0.66336%0.363SS*.THydrogen-bonded Turntrans-62.8-26.9-179.251.50000113.1Q96 Q97T94-Q96 PolarHBondContact O-N 3.45Å; T94-Q97 WeakPolarHBondContact O-CB 3.47Å; T94-Q97 PolarHBondContact O-N 2.9Å
95A87.2Confident93.5Very high48 Ų4871.7 Ų71.740%0.39739%0.39SS..THydrogen-bonded Turntrans-61.4-26.5176.700000112.3D93 Q97 D98 D99D93-A95 PolarHBondContact O-N 2.88Å; D93-A95 PolarHBondContact OD1-N 3.29Å; A95-Q97 VanDerWaalsContact C-N 3.25Å; A95-Q97 PolarHBondContact O-N 2.77Å; A95-D98 WeakPolarHBondContact O-CB 3.37Å; A95-D98 PolarHBondContact O-N 3.27Å; A95-D98 VanDerWaalsContact O-N 3.11Å; A95-D99 PolarHBondContact O-N 2.92Å
96Q90Very high93.3Very high25 Ų2567.6 Ų67.612%0.11736%0.363CS..Hα-helixtrans-76.1-15.8-177.4-76.872.71.100112Y91 D93 T94 D98 D99 S100 L126 D129Y91-Q96 HydrophobicContact CD1-CB 3.69Å; Y91-Q96 HydrophobicContact CE1-CB 4.37Å; Y91-Q96 HydrophobicContact CG-CB 4.24Å; D93-Q96 VanDerWaalsContact C-OE1 3.27Å; D93-Q96 WeakPolarHBondContact O-CB 3.32Å; D93-Q96 PolarHBondContact O-N 3.21Å; D93-Q96 PolarHBondContact O-OE1 3.25Å; D93-Q96 PolarHBondContact OD2-OE1 3.09Å; D93-Q96 VanDerWaalsContact OD2-OE1 3.12Å; T94-Q96 PolarHBondContact O-N 3.45Å; Q96-D98 VanDerWaalsContact C-N 3.29Å; Q96-D99 PolarHBondContact O-N 3.48Å; Q96-S100 WeakPolarHBondContact O-CB 3.2Å; Q96-S100 PolarHBondContact O-N 3.02Å; Q96-S100 PolarHBondContact O-OG 3.29Å; Q96-L126 HydrophobicContact CB-CD2 3.93Å; Q96-L126 HydrophobicContact CG-CD2 4.18Å; Q96-D129 HydrophobicContact CG-CB 4.12Å
97Q91.2Very high93.1Very high91 Ų9162 Ų6243%0.42534%0.34SS..Hα-helixtrans-65-33.7167.1-68.8-179.3-7.500112.1Y91 T94 A95 S100 R101Y91-Q97 HydrophobicContact CD2-CB 4.45Å; Y91-Q97 HydrophobicContact CD2-CG 3.37Å; Y91-Q97 HydrophobicContact CE2-CG 3.8Å; Y91-Q97 HydrophobicContact CG-CG 4.11Å; T94-Q97 WeakPolarHBondContact O-CB 3.47Å; T94-Q97 PolarHBondContact O-N 2.9Å; A95-Q97 VanDerWaalsContact C-N 3.25Å; A95-Q97 PolarHBondContact O-N 2.77Å; Q97-S100 PolarHBondContact O-OG 3.37Å; Q97-S100 VanDerWaalsContact O-OG 3.07Å; Q97-R101 WeakPolarHBondContact O-CG 3.47Å; Q97-R101 PolarHBondContact O-N 3.49Å; Q97-R101 PolarHBondContact O-NE 2.84Å
98D92.8Very high92.8Very high76 Ų7667.1 Ų67.141%0.40637%0.368SS..Hα-helixtrans-74.1-41.9174.9-70.6-23.6000111.1A95 Q96 S100 R101 K102A95-D98 WeakPolarHBondContact O-CB 3.37Å; A95-D98 PolarHBondContact O-N 3.27Å; A95-D98 VanDerWaalsContact O-N 3.11Å; Q96-D98 VanDerWaalsContact C-N 3.29Å; D98-S100 VanDerWaalsContact C-N 3.31Å; D98-S100 PolarHBondContact O-N 3.44Å; D98-R101 PolarHBondContact O-N 2.83Å; D98-R101 IonicContact OD1-CZ 3.54Å; D98-R101 IonicContact OD1-NE 3.62Å; D98-R101 IonicContact OD1-NH2 2.69Å; D98-R101 PolarHBondContact OD1-NH2 3.31Å; D98-K102 WeakPolarHBondContact O-CG 3.43Å; D98-K102 PolarHBondContact O-N 3.06Å
99D94.3Very high92.4Very high12 Ų1264 Ų646%0.06436%0.355CS..Hα-helixtrans-62.2-37.7176.6-84.5-16.6000111.9A95 Q96 K102 L103 I122 R125 L126A95-D99 PolarHBondContact O-N 2.92Å; Q96-D99 PolarHBondContact O-N 3.48Å; D99-K102 PolarHBondContact O-N 3.35Å; D99-L103 WeakPolarHBondContact O-CB 3.39Å; D99-L103 PolarHBondContact O-N 3.39Å; D99-I122 HydrophobicContact CB-CG2 4.1Å; D99-I122 WeakPolarHBondContact O-CG2 3.5Å; D99-R125 IonicContact OD1-CZ 3.98Å; D99-R125 IonicContact OD1-NE 2.7Å; D99-R125 IonicContact OD1-NH2 3.46Å; D99-R125 PolarHBondContact OD1-NH2 3.01Å; D99-R125 IonicContact OD2-CZ 3.16Å; D99-R125 IonicContact OD2-NE 2.99Å; D99-R125 PolarHBondContact OD2-NE 2.97Å; D99-R125 IonicContact OD2-NH2 2.56Å; D99-R125 PolarHBondContact OD2-NH2 3.38Å; D99-L126 HydrophobicContact CB-CD2 3.9Å; D99-L126 HydrophobicContact CB-CG 4.12Å
100S94.2Very high92Very high12 Ų1264.1 Ų64.18%0.08436%0.355CS..Hα-helixtrans-68.8-36.5177.174.50000112.7Y91 Q96 Q97 D98 L103 M104Y91-S100 WeakPolarHBondContact OH-CB 3.4Å; Y91-S100 PolarHBondContact OH-OG 3.36Å; Q96-S100 WeakPolarHBondContact O-CB 3.2Å; Q96-S100 PolarHBondContact O-N 3.02Å; Q96-S100 PolarHBondContact O-OG 3.29Å; Q97-S100 PolarHBondContact O-OG 3.37Å; Q97-S100 VanDerWaalsContact O-OG 3.07Å; D98-S100 VanDerWaalsContact C-N 3.31Å; D98-S100 PolarHBondContact O-N 3.44Å; S100-L103 WeakPolarHBondContact O-CB 3.31Å; S100-L103 PolarHBondContact O-N 3.43Å; S100-M104 WeakPolarHBondContact O-CG 3.37Å; S100-M104 PolarHBondContact O-N 2.92Å; S100-M104 VanDerWaalsContact O-N 3.15Å
101R93.7Very high91.6Very high159 Ų15969.1 Ų69.160%0.636%0.364SS*.Hα-helixtrans-64.3-43.8172.1-73.2-172.7-77.5-164.4-4.1111.6Q97 D98 M104 H105Q97-R101 WeakPolarHBondContact O-CG 3.47Å; Q97-R101 PolarHBondContact O-N 3.49Å; Q97-R101 PolarHBondContact O-NE 2.84Å; D98-R101 PolarHBondContact O-N 2.83Å; D98-R101 IonicContact OD1-CZ 3.54Å; D98-R101 IonicContact OD1-NE 3.62Å; D98-R101 IonicContact OD1-NH2 2.69Å; D98-R101 PolarHBondContact OD1-NH2 3.31Å; R101-M104 PolarHBondContact O-N 2.93Å; R101-H105 PolarHBondContact O-N 3.43Å; R101-H105 VanDerWaalsContact O-N 3.13Å
102K94.4Very high90.9Very high105 Ų10574.4 Ų74.446%0.45739%0.39SS..Hα-helixtrans-63.7-42.2175.7-70.4173-172.3171.50111.9D98 D99 M104 H105 L106 I122D98-K102 WeakPolarHBondContact O-CG 3.43Å; D98-K102 PolarHBondContact O-N 3.06Å; D99-K102 PolarHBondContact O-N 3.35Å; K102-M104 VanDerWaalsContact C-N 3.35Å; K102-M104 PolarHBondContact O-N 2.68Å; K102-H105 PolarHBondContact O-N 3.13Å; K102-L106 WeakPolarHBondContact O-CB 3.38Å; K102-L106 WeakPolarHBondContact O-CG 3.41Å; K102-L106 PolarHBondContact O-N 3.47Å; K102-I122 HydrophobicContact CB-CD1 3.87Å; K102-I122 HydrophobicContact CD-CD1 4.42Å
103L95.6Very high90.3Very high0 Ų072.7 Ų72.70%037%0.373CS..Hα-helixtrans-53.6-52175.4175.872.5000110.9L74 I77 M78 V81 D99 S100 H105 L106 A107 L119 I122 I123 L126L74-L103 HydrophobicContact CD1-CD1 3.86Å; I77-L103 HydrophobicContact CG1-CD2 4.02Å; I77-L103 HydrophobicContact CG2-CD1 4.15Å; I77-L103 HydrophobicContact CG2-CD2 4.07Å; M78-L103 HydrophobicContact CG-CD2 4.32Å; M78-L103 HydrophobicContact CG-CG 4.48Å; V81-L103 HydrophobicContact CG2-CD2 4.05Å; D99-L103 WeakPolarHBondContact O-CB 3.39Å; D99-L103 PolarHBondContact O-N 3.39Å; S100-L103 WeakPolarHBondContact O-CB 3.31Å; S100-L103 PolarHBondContact O-N 3.43Å; L103-H105 PolarHBondContact O-N 3Å; L103-L106 PolarHBondContact O-N 2.95Å; L103-A107 WeakPolarHBondContact O-CB 3.5Å; L103-A107 PolarHBondContact O-N 3.33Å; L103-L119 HydrophobicContact CD1-CD1 3.57Å; L103-I122 HydrophobicContact CB-CG2 4.02Å; L103-I122 HydrophobicContact CD1-CG2 4.43Å; L103-I123 HydrophobicContact CD1-CD1 4.32Å; L103-I123 HydrophobicContact CD1-CG1 3.82Å; L103-L126 HydrophobicContact CB-CD1 4.18Å; L103-L126 HydrophobicContact CD2-CD1 3.77Å; L103-L126 HydrophobicContact CG-CD1 4.45Å
104M93.6Very high90.3Very high50 Ų5070.6 Ų70.625%0.24636%0.364CS..Hα-helixtrans-62.5-43.7-178.9-67.7-62.6-171.300111.9M78 V81 K82 S100 R101 K102 A107 D108M78-M104 HydrophobicContact CE-SD 3.78Å; M78-M104 HydrophobicContact CG-SD 4.34Å; V81-M104 HydrophobicContact CB-CE 4.07Å; V81-M104 HydrophobicContact CG1-CE 3.63Å; K82-M104 HydrophobicContact CG-CE 3.96Å; S100-M104 WeakPolarHBondContact O-CG 3.37Å; S100-M104 PolarHBondContact O-N 2.92Å; S100-M104 VanDerWaalsContact O-N 3.15Å; R101-M104 PolarHBondContact O-N 2.93Å; K102-M104 VanDerWaalsContact C-N 3.35Å; K102-M104 PolarHBondContact O-N 2.68Å; M104-A107 PolarHBondContact O-N 3.31Å; M104-D108 PolarHBondContact O-N 2.94Å
105H93Very high90.7Very high123 Ų12366.6 Ų66.657%0.56934%0.338SS*.Hα-helixtrans-63.4-46.3176.7-179.5-72.9000112.3R101 K102 L103 A107 D108 T109R101-H105 PolarHBondContact O-N 3.43Å; R101-H105 VanDerWaalsContact O-N 3.13Å; K102-H105 PolarHBondContact O-N 3.13Å; L103-H105 PolarHBondContact O-N 3Å; H105-A107 VanDerWaalsContact C-N 3.34Å; H105-A107 PolarHBondContact O-N 2.8Å; H105-D108 PolarHBondContact O-N 3.15Å; H105-T109 WeakPolarHBondContact O-CG2 3.49Å; H105-T109 PolarHBondContact O-N 3.48Å; H105-T109 PolarHBondContact O-OG1 3.4Å
106L92.1Very high91.1Very high27 Ų2767 Ų6714%0.14134%0.337CS..Hα-helixtrans-62-44.9179.2-74.5173.3000110.7K102 L103 D108 T109 I110 E118 L119 I122K102-L106 WeakPolarHBondContact O-CB 3.38Å; K102-L106 WeakPolarHBondContact O-CG 3.41Å; K102-L106 PolarHBondContact O-N 3.47Å; L103-L106 PolarHBondContact O-N 2.95Å; L106-D108 PolarHBondContact O-N 3.22Å; L106-D108 VanDerWaalsContact O-N 3.15Å; L106-T109 WeakPolarHBondContact CA-OG1 3.46Å; L106-T109 PolarHBondContact O-N 2.83Å; L106-T109 PolarHBondContact O-OG1 3.22Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 WeakPolarHBondContact O-CG2 3.2Å; L106-I110 PolarHBondContact O-N 2.72Å; L106-E118 HydrophobicContact CD1-CG 4.24Å; L106-L119 HydrophobicContact CB-CD1 4.36Å; L106-L119 HydrophobicContact CD1-CB 4.48Å; L106-L119 HydrophobicContact CD1-CD1 4.44Å; L106-I122 HydrophobicContact CD1-CD1 3.65Å
107A90.5Very high91.3Very high20 Ų2073.4 Ų73.417%0.16536%0.364CS..Hα-helixtrans-55.2-33.1179.400000113.8L74 M78 L103 M104 H105L74-A107 HydrophobicContact CD1-CB 4.21Å; L74-A107 HydrophobicContact CD2-CB 4.16Å; L74-A107 HydrophobicContact CG-CB 4.48Å; M78-A107 HydrophobicContact CE-CB 3.67Å; M78-A107 HydrophobicContact SD-CB 3.57Å; M78-A107 VanDerWaalsContact SD-CB 3.57Å; L103-A107 WeakPolarHBondContact O-CB 3.5Å; L103-A107 PolarHBondContact O-N 3.33Å; M104-A107 PolarHBondContact O-N 3.31Å; H105-A107 VanDerWaalsContact C-N 3.34Å; H105-A107 PolarHBondContact O-N 2.8Å
108D88.5Confident91.5Very high140 Ų14075 Ų7575%0.74937%0.371SS*.Hα-helixtrans-81.1-15.9178.1-69.1-21.5000113.5M104 H105 L106M104-D108 PolarHBondContact O-N 2.94Å; H105-D108 PolarHBondContact O-N 3.15Å; L106-D108 PolarHBondContact O-N 3.22Å; L106-D108 VanDerWaalsContact O-N 3.15Å
109T88.5Confident91.6Very high87 Ų8771.4 Ų71.453%0.53435%0.352SS..Hα-helixtrans-111-25.9-172.5580000114.5H105 L106H105-T109 WeakPolarHBondContact O-CG2 3.49Å; H105-T109 PolarHBondContact O-N 3.48Å; H105-T109 PolarHBondContact O-OG1 3.4Å; L106-T109 WeakPolarHBondContact CA-OG1 3.46Å; L106-T109 PolarHBondContact O-N 2.83Å; L106-T109 PolarHBondContact O-OG1 3.22Å
110I89.3Confident91.8Very high35 Ų3571 Ų7118%0.17935%0.351CS..SBendtrans-76.7153.4-177.762.1154.8000111.5L74 L106 E112 P116 L119L74-I110 HydrophobicContact CD2-CD1 4.02Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 WeakPolarHBondContact O-CG2 3.2Å; L106-I110 PolarHBondContact O-N 2.72Å; I110-E112 PolarHBondContact O-N 3.02Å; I110-P116 HydrophobicContact CG2-CG 4.19Å; I110-L119 HydrophobicContact CD1-CD2 3.4Å
111E87.3Confident91.9Very high161 Ų16173.3 Ų73.375%0.75236%0.362SS*.PPolyproline II helixtrans-61.2135.5171.2-174.1175.9-173.800110.1G113 S114E111-G113 PolarHBondContact O-N 2.95Å; E111-S114 WeakPolarHBondContact O-CB 3.44Å; E111-S114 PolarHBondContact O-N 3.2Å; E111-S114 PolarHBondContact O-OG 3.26Å
112E82.3Confident92.1Very high158 Ų15865.8 Ų65.874%0.73833%0.334SS*.THydrogen-bonded Turntrans-57.9127.1-177-172.1173.9-177.400111I110 S114I110-E112 PolarHBondContact O-N 3.02Å; E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 2.92Å
113G80.7Confident92.3Very high12 Ų1260.8 Ų60.812%0.12431%0.312CS..THydrogen-bonded Turntrans6922.4-178.800000115T67 Y70 E111T67-G113 WeakPolarHBondContact O-CA 3.4Å; Y70-G113 WeakPolarHBondContact CD2-O 3.26Å; E111-G113 PolarHBondContact O-N 2.95Å
114S90.6Very high92.4Very high34 Ų3462 Ų6224%0.23832%0.318CS..  trans-89.5157.1158.670.50000111.3E111 E112E111-S114 WeakPolarHBondContact O-CB 3.44Å; E111-S114 PolarHBondContact O-N 3.2Å; E111-S114 PolarHBondContact O-OG 3.26Å; E112-S114 VanDerWaalsContact C-N 3.28Å; E112-S114 PolarHBondContact O-N 2.92Å
115M95.1Very high92.5Very high23 Ų2364.4 Ų64.411%0.11333%0.325CS..  trans-137.176.7174.5-169.267.166.500110.3Y70 T73 L119 I123 V159Y70-M115 HydrophobicContact CD1-CB 4.01Å; Y70-M115 HydrophobicContact CD1-CE 4.24Å; Y70-M115 HydrophobicContact CD1-CG 4.47Å; Y70-M115 HydrophobicContact CD2-CB 3.54Å; Y70-M115 HydrophobicContact CE1-CB 4.17Å; Y70-M115 HydrophobicContact CE2-CB 3.71Å; Y70-M115 HydrophobicContact CG-CB 3.7Å; Y70-M115 HydrophobicContact CG-CE 4.21Å; T73-M115 HydrophobicContact CG2-CE 4.49Å; M115-L119 HydrophobicContact SD-CB 4.48Å; M115-L119 HydrophobicContact SD-CD2 3.79Å; M115-L119 HydrophobicContact SD-CG 3.88Å; M115-I123 HydrophobicContact CE-CD1 4.32Å; M115-I123 HydrophobicContact SD-CD1 3.93Å; M115-V159 HydrophobicContact CB-CG1 4.42Å; M115-V159 HydrophobicContact CG-CG1 3.56Å
116P94.7Very high92.8Very high57 Ų5758.6 Ų58.637%0.3730%0.298SS..  trans-60.4150.7176.7-21.733.5000111.5I110 E118 L119 S120I110-P116 HydrophobicContact CG2-CG 4.19Å; P116-E118 VanDerWaalsContact C-N 3.26Å; P116-E118 PolarHBondContact O-N 3.48Å; P116-L119 WeakPolarHBondContact O-CA 3.44Å; P116-L119 WeakPolarHBondContact O-CB 3.16Å; P116-L119 PolarHBondContact O-N 2.81Å; P116-S120 PolarHBondContact O-N 3.19Å
117K94.7Very high93.1Very high160 Ų16058.3 Ų58.370%0.69630%0.295SS*.Hα-helixtrans-54.7-40.6-177.7-175.6174.7179.5-178.80113.4L119 S120 D121K117-L119 VanDerWaalsContact C-N 3.3Å; K117-L119 PolarHBondContact O-N 3.09Å; K117-S120 WeakPolarHBondContact CA-OG 3.27Å; K117-S120 PolarHBondContact O-N 3.14Å; K117-S120 PolarHBondContact O-OG 3.22Å; K117-D121 WeakPolarHBondContact O-CB 3.21Å; K117-D121 PolarHBondContact O-N 3.32Å
118E95.3Very high93.4Very high123 Ų12364.4 Ų64.458%0.57532%0.317SS*.Hα-helixtrans-59.2-42.7176.9-177.6175.8-169.200111.9L106 P116 I122L106-E118 HydrophobicContact CD1-CG 4.24Å; P116-E118 VanDerWaalsContact C-N 3.26Å; P116-E118 PolarHBondContact O-N 3.48Å; E118-I122 HydrophobicContact CG-CD1 4.22Å; E118-I122 WeakPolarHBondContact O-CD1 3.41Å; E118-I122 VanDerWaalsContact O-CG1 3.31Å; E118-I122 WeakPolarHBondContact O-CG1 3.15Å; E118-I122 PolarHBondContact O-N 3.2Å; E118-I122 VanDerWaalsContact O-N 3.14Å
119L96.1Very high93.8Very high1 Ų158 Ų581%0.00528%0.283CS..Hα-helixtrans-66.8-48.4177.5178.161.3000111.1L74 L103 L106 I110 M115 P116 K117 D121 I122 I123L74-L119 HydrophobicContact CD1-CD1 4.14Å; L74-L119 HydrophobicContact CD1-CD2 4.2Å; L74-L119 HydrophobicContact CD2-CD2 4.38Å; L103-L119 HydrophobicContact CD1-CD1 3.57Å; L106-L119 HydrophobicContact CB-CD1 4.36Å; L106-L119 HydrophobicContact CD1-CB 4.48Å; L106-L119 HydrophobicContact CD1-CD1 4.44Å; I110-L119 HydrophobicContact CD1-CD2 3.4Å; M115-L119 HydrophobicContact SD-CB 4.48Å; M115-L119 HydrophobicContact SD-CD2 3.79Å; M115-L119 HydrophobicContact SD-CG 3.88Å; P116-L119 WeakPolarHBondContact O-CA 3.44Å; P116-L119 WeakPolarHBondContact O-CB 3.16Å; P116-L119 PolarHBondContact O-N 2.81Å; K117-L119 VanDerWaalsContact C-N 3.3Å; K117-L119 PolarHBondContact O-N 3.09Å; L119-D121 VanDerWaalsContact C-N 3.29Å; L119-D121 PolarHBondContact O-N 2.99Å; L119-I122 WeakPolarHBondContact O-CB 3.21Å; L119-I122 PolarHBondContact O-N 3.37Å; L119-I123 HydrophobicContact CD1-CD1 4.03Å; L119-I123 HydrophobicContact CD1-CG1 4.22Å; L119-I123 HydrophobicContact CG-CD1 3.95Å; L119-I123 HydrophobicContact CG-CG1 4.5Å; L119-I123 WeakPolarHBondContact O-CG1 3.23Å; L119-I123 PolarHBondContact O-N 3.23Å
120S96.9Very high94.3Very high4 Ų458.8 Ų58.83%0.02829%0.288CS..Hα-helixtrans-60.1-40.817959.70000112P116 K117 I122 I123 I124P116-S120 PolarHBondContact O-N 3.19Å; K117-S120 WeakPolarHBondContact CA-OG 3.27Å; K117-S120 PolarHBondContact O-N 3.14Å; K117-S120 PolarHBondContact O-OG 3.22Å; S120-I122 VanDerWaalsContact C-N 3.33Å; S120-I122 PolarHBondContact O-N 3.34Å; S120-I123 PolarHBondContact O-N 3.39Å; S120-I124 WeakPolarHBondContact O-CD1 3.49Å; S120-I124 VanDerWaalsContact O-CG1 3.23Å; S120-I124 WeakPolarHBondContact O-CG1 3.39Å; S120-I124 PolarHBondContact O-N 3.41Å
121D97.1Very high94.7Very high60 Ų6057.3 Ų57.332%0.32128%0.282SS..Hα-helixtrans-64.5-38.2179.3-70-11.7000111.4K117 L119 R125K117-D121 WeakPolarHBondContact O-CB 3.21Å; K117-D121 PolarHBondContact O-N 3.32Å; L119-D121 VanDerWaalsContact C-N 3.29Å; L119-D121 PolarHBondContact O-N 2.99Å; D121-R125 WeakPolarHBondContact O-CG 3.23Å; D121-R125 PolarHBondContact O-N 2.61Å; D121-R125 VanDerWaalsContact O-N 3.15Å; D121-R125 PolarHBondContact O-NH1 3.14Å
122I97.3Very high95.2Very high1 Ų149.7 Ų49.71%0.00525%0.246CC..Hα-helixtrans-62.8-49.4173-73.4164.1000110.6D99 K102 L103 L106 E118 L119 S120 I124 R125 L126D99-I122 HydrophobicContact CB-CG2 4.1Å; D99-I122 WeakPolarHBondContact O-CG2 3.5Å; K102-I122 HydrophobicContact CB-CD1 3.87Å; K102-I122 HydrophobicContact CD-CD1 4.42Å; L103-I122 HydrophobicContact CB-CG2 4.02Å; L103-I122 HydrophobicContact CD1-CG2 4.43Å; L106-I122 HydrophobicContact CD1-CD1 3.65Å; E118-I122 HydrophobicContact CG-CD1 4.22Å; E118-I122 WeakPolarHBondContact O-CD1 3.41Å; E118-I122 VanDerWaalsContact O-CG1 3.31Å; E118-I122 WeakPolarHBondContact O-CG1 3.15Å; E118-I122 PolarHBondContact O-N 3.2Å; E118-I122 VanDerWaalsContact O-N 3.14Å; L119-I122 WeakPolarHBondContact O-CB 3.21Å; L119-I122 PolarHBondContact O-N 3.37Å; S120-I122 VanDerWaalsContact C-N 3.33Å; S120-I122 PolarHBondContact O-N 3.34Å; I122-I124 VanDerWaalsContact C-N 3.32Å; I122-I124 PolarHBondContact O-N 2.72Å; I122-R125 VanDerWaalsContact CG1-NH2 3.3Å; I122-R125 PolarHBondContact O-N 3.39Å; I122-L126 HydrophobicContact CG2-CD1 3.74Å; I122-L126 HydrophobicContact CG2-CG 4.28Å; I122-L126 WeakPolarHBondContact O-CG 3.34Å; I122-L126 PolarHBondContact O-N 2.91Å
123I98Very high96Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-62.6-41.2-178.2-61.2173.3000110.7L74 I77 L103 M115 L119 S120 R125 L126 W127 L152 L155L74-I123 HydrophobicContact CD1-CD1 4.32Å; I77-I123 HydrophobicContact CB-CG2 4.14Å; I77-I123 HydrophobicContact CG1-CG2 4.14Å; I77-I123 HydrophobicContact CG2-CD1 3.99Å; I77-I123 HydrophobicContact CG2-CG1 3.96Å; I77-I123 HydrophobicContact CG2-CG2 4.11Å; L103-I123 HydrophobicContact CD1-CD1 4.32Å; L103-I123 HydrophobicContact CD1-CG1 3.82Å; M115-I123 HydrophobicContact CE-CD1 4.32Å; M115-I123 HydrophobicContact SD-CD1 3.93Å; L119-I123 HydrophobicContact CD1-CD1 4.03Å; L119-I123 HydrophobicContact CD1-CG1 4.22Å; L119-I123 HydrophobicContact CG-CD1 3.95Å; L119-I123 HydrophobicContact CG-CG1 4.5Å; L119-I123 WeakPolarHBondContact O-CG1 3.23Å; L119-I123 PolarHBondContact O-N 3.23Å; S120-I123 PolarHBondContact O-N 3.39Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.31Å; I123-L126 PolarHBondContact O-N 3.4Å; I123-W127 WeakPolarHBondContact O-CB 3.46Å; I123-W127 PolarHBondContact O-N 3.24Å; I123-L152 HydrophobicContact CG2-CD2 3.6Å; I123-L155 HydrophobicContact CB-CD2 3.57Å; I123-L155 HydrophobicContact CG2-CD2 3.36Å
124I97.9Very high96.7Very high26 Ų2646.7 Ų46.713%0.13324%0.236CC..Hα-helixtrans-60.8-42.7176.6-69.1163.8000111.3S120 I122 K128 L155 E156S120-I124 WeakPolarHBondContact O-CD1 3.49Å; S120-I124 VanDerWaalsContact O-CG1 3.23Å; S120-I124 WeakPolarHBondContact O-CG1 3.39Å; S120-I124 PolarHBondContact O-N 3.41Å; I122-I124 VanDerWaalsContact C-N 3.32Å; I122-I124 PolarHBondContact O-N 2.72Å; I124-K128 HydrophobicContact CG2-CD 4.44Å; I124-K128 WeakPolarHBondContact O-CG 3.39Å; I124-K128 PolarHBondContact O-N 3.44Å; I124-L155 HydrophobicContact CG1-CB 4.39Å; I124-L155 HydrophobicContact CG1-CD2 3.81Å; I124-L155 HydrophobicContact CG1-CG 4.13Å; I124-E156 HydrophobicContact CD1-CG 3.64Å; I124-E156 HydrophobicContact CG1-CG 4.29Å
125R97.4Very high97.1Very high101 Ų10145 Ų4538%0.38123%0.225SC..Hα-helixtrans-68-43.9177.6-73.1-169.4-56-86.44.4112.1D99 D121 I122 I123 K128 D129D99-R125 IonicContact OD1-CZ 3.98Å; D99-R125 IonicContact OD1-NE 2.7Å; D99-R125 IonicContact OD1-NH2 3.46Å; D99-R125 PolarHBondContact OD1-NH2 3.01Å; D99-R125 IonicContact OD2-CZ 3.16Å; D99-R125 IonicContact OD2-NE 2.99Å; D99-R125 PolarHBondContact OD2-NE 2.97Å; D99-R125 IonicContact OD2-NH2 2.56Å; D99-R125 PolarHBondContact OD2-NH2 3.38Å; D121-R125 WeakPolarHBondContact O-CG 3.23Å; D121-R125 PolarHBondContact O-N 2.61Å; D121-R125 VanDerWaalsContact O-N 3.15Å; D121-R125 PolarHBondContact O-NH1 3.14Å; I122-R125 VanDerWaalsContact CG1-NH2 3.3Å; I122-R125 PolarHBondContact O-N 3.39Å; I123-R125 VanDerWaalsContact C-N 3.35Å; I123-R125 PolarHBondContact O-N 3.31Å; R125-K128 PolarHBondContact O-N 2.84Å; R125-D129 PolarHBondContact O-N 2.82Å
126L97.9Very high97.2Very high0 Ų047.1 Ų47.10%023%0.232CC..Hα-helixtrans-61.9-43.5176.6-71.9173.9000111.2I77 Y91 Q96 D99 L103 I122 I123 K128 D129 I132I77-L126 HydrophobicContact CD1-CB 4.2Å; I77-L126 HydrophobicContact CG1-CD1 4.43Å; Y91-L126 HydrophobicContact CE1-CD2 4.31Å; Q96-L126 HydrophobicContact CB-CD2 3.93Å; Q96-L126 HydrophobicContact CG-CD2 4.18Å; D99-L126 HydrophobicContact CB-CD2 3.9Å; D99-L126 HydrophobicContact CB-CG 4.12Å; L103-L126 HydrophobicContact CB-CD1 4.18Å; L103-L126 HydrophobicContact CD2-CD1 3.77Å; L103-L126 HydrophobicContact CG-CD1 4.45Å; I122-L126 HydrophobicContact CG2-CD1 3.74Å; I122-L126 HydrophobicContact CG2-CG 4.28Å; I122-L126 WeakPolarHBondContact O-CG 3.34Å; I122-L126 PolarHBondContact O-N 2.91Å; I123-L126 PolarHBondContact O-N 3.4Å; L126-K128 PolarHBondContact O-N 3.17Å; L126-D129 WeakPolarHBondContact O-CB 3.39Å; L126-D129 PolarHBondContact O-N 3.1Å; L126-I132 VanDerWaalsContact O-CB 3.27Å; L126-I132 WeakPolarHBondContact O-CB 3.32Å; L126-I132 VanDerWaalsContact O-CG1 3.31Å; L126-I132 WeakPolarHBondContact O-CG1 3.2Å; L126-I132 WeakPolarHBondContact O-CG2 3.33Å
127W98.1Very high97.2Very high21 Ų2148.9 Ų48.98%0.0824%0.238CC..Hα-helixtrans-62-28.3-180-173.1-125000113.1I80 I123 D129 I132 Q133 Y136 L152 N153I80-W127 HydrophobicContact CD1-CE3 4.46Å; I80-W127 HydrophobicContact CD1-CZ3 3.82Å; I123-W127 WeakPolarHBondContact O-CB 3.46Å; I123-W127 PolarHBondContact O-N 3.24Å; W127-D129 VanDerWaalsContact C-N 3.31Å; W127-I132 HydrophobicContact CE3-CG2 3.81Å; W127-I132 HydrophobicContact CZ3-CG2 4.25Å; W127-Q133 VanDerWaalsContact CE3-NE2 3.32Å; W127-Q133 PolarHBondContact O-NE2 3.02Å; W127-Y136 AromaticContact CH2-CD1 3.57Å; W127-Y136 HydrophobicContact CH2-CD1 3.57Å; W127-Y136 AromaticContact CH2-CD2 3.89Å; W127-Y136 HydrophobicContact CH2-CD2 3.89Å; W127-Y136 AromaticContact CH2-CE1 3.9Å; W127-Y136 HydrophobicContact CH2-CE1 3.9Å; W127-Y136 HydrophobicContact CH2-CE2 4.23Å; W127-Y136 AromaticContact CH2-CG 3.56Å; W127-Y136 HydrophobicContact CH2-CG 3.56Å; W127-Y136 HydrophobicContact CZ2-CD1 4.46Å; W127-Y136 HydrophobicContact CZ3-CD1 4.32Å; W127-Y136 HydrophobicContact CZ3-CD2 4.19Å; W127-Y136 AromaticContact CZ3-CG 3.91Å; W127-Y136 HydrophobicContact CZ3-CG 3.91Å; W127-L152 HydrophobicContact CD2-CB 3.61Å; W127-L152 HydrophobicContact CD2-CD1 4.12Å; W127-L152 HydrophobicContact CD2-CG 4.39Å; W127-L152 HydrophobicContact CE3-CB 4.06Å; W127-L152 HydrophobicContact CE3-CD1 3.64Å; W127-L152 HydrophobicContact CE3-CG 4.38Å; W127-L152 HydrophobicContact CG-CB 3.93Å; W127-L152 HydrophobicContact CH2-CB 4.4Å; W127-L152 HydrophobicContact CH2-CD1 4.09Å; W127-L152 HydrophobicContact CZ2-CB 4Å; W127-L152 HydrophobicContact CZ3-CB 4.44Å; W127-L152 HydrophobicContact CZ3-CD1 3.65Å; W127-N153 PolarHBondContact NE1-OD1 2.85Å
128K97.4Very high97.3Very high148 Ų14845.6 Ų45.664%0.64322%0.221SC*.THydrogen-bonded Turntrans-80.1-9.2175.8-67.9172.7-174.4173.50113.6I124 R125 L126 E156I124-K128 HydrophobicContact CG2-CD 4.44Å; I124-K128 WeakPolarHBondContact O-CG 3.39Å; I124-K128 PolarHBondContact O-N 3.44Å; R125-K128 PolarHBondContact O-N 2.84Å; L126-K128 PolarHBondContact O-N 3.17Å; K128-E156 IonicContact NZ-OE1 3.4Å
129D98.1Very high97.3Very high7 Ų740.7 Ų40.74%0.03720%0.202CC..  trans-69.9136.7178.5-177.1-100.1000111.8G92 D93 Q96 R125 L126 W127 G131 I132 Q133G92-D129 WeakPolarHBondContact CA-OD2 3.37Å; G92-D129 PolarHBondContact N-OD1 3.03Å; G92-D129 VanDerWaalsContact N-OD1 3.11Å; G92-D129 PolarHBondContact N-OD2 2.84Å; D93-D129 PolarHBondContact N-OD2 3.03Å; Q96-D129 HydrophobicContact CG-CB 4.12Å; R125-D129 PolarHBondContact O-N 2.82Å; L126-D129 WeakPolarHBondContact O-CB 3.39Å; L126-D129 PolarHBondContact O-N 3.1Å; W127-D129 VanDerWaalsContact C-N 3.31Å; D129-G131 VanDerWaalsContact C-N 3.32Å; D129-G131 PolarHBondContact O-N 2.86Å; D129-G131 VanDerWaalsContact OD1-CA 3.23Å; D129-G131 WeakPolarHBondContact OD1-CA 3.47Å; D129-G131 PolarHBondContact OD1-N 3.45Å; D129-I132 HydrophobicContact CB-CB 4.05Å; D129-I132 HydrophobicContact CB-CG1 3.93Å; D129-I132 PolarHBondContact O-N 3.5Å; D129-I132 PolarHBondContact OD1-N 3.42Å; D129-Q133 WeakPolarHBondContact O-CG 3.49Å; D129-Q133 PolarHBondContact O-N 3.27Å
130T97.8Very high97.1Very high102 Ų10242.3 Ų42.363%0.62621%0.213SC*.Hα-helixtrans-69.8-29.3-177.854.90000112.9G92 A134G92-T130 VanDerWaalsContact CA-OG1 3.25Å; G92-T130 WeakPolarHBondContact CA-OG1 3.4Å; T130-A134 VanDerWaalsContact O-CB 3.26Å; T130-A134 WeakPolarHBondContact O-CB 3.24Å; T130-A134 PolarHBondContact O-N 2.84Å
131G97.8Very high97Very high5 Ų547 Ų475%0.05224%0.235CC..Hα-helixtrans-69.7-41.6173.400000112.1G90 D129 A134 C135G90-G131 WeakPolarHBondContact O-CA 3.38Å; D129-G131 VanDerWaalsContact C-N 3.32Å; D129-G131 PolarHBondContact O-N 2.86Å; D129-G131 VanDerWaalsContact OD1-CA 3.23Å; D129-G131 WeakPolarHBondContact OD1-CA 3.47Å; D129-G131 PolarHBondContact OD1-N 3.45Å; G131-A134 PolarHBondContact O-N 3.26Å; G131-C135 WeakPolarHBondContact O-CB 3.21Å; G131-C135 PolarHBondContact O-N 3.4Å
132I98.1Very high96.9Very high0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-61.3-46.4173.1-69.5-81.2000110.8I77 I80 V81 M84 Y91 L126 W127 D129 C135 Y136I77-I132 HydrophobicContact CD1-CD1 4.43Å; I77-I132 HydrophobicContact CD1-CG2 4.26Å; I80-I132 HydrophobicContact CG2-CD1 4.13Å; I80-I132 HydrophobicContact CG2-CG2 4.03Å; V81-I132 HydrophobicContact CG2-CD1 3.82Å; M84-I132 HydrophobicContact CG-CD1 4.46Å; M84-I132 HydrophobicContact SD-CD1 3.28Å; M84-I132 WeakPolarHBondContact SD-CD1 3.48Å; M84-I132 HydrophobicContact SD-CG1 3.72Å; Y91-I132 HydrophobicContact CE1-CD1 4.34Å; Y91-I132 HydrophobicContact CE1-CG1 4.4Å; L126-I132 VanDerWaalsContact O-CB 3.27Å; L126-I132 WeakPolarHBondContact O-CB 3.32Å; L126-I132 VanDerWaalsContact O-CG1 3.31Å; L126-I132 WeakPolarHBondContact O-CG1 3.2Å; L126-I132 WeakPolarHBondContact O-CG2 3.33Å; W127-I132 HydrophobicContact CE3-CG2 3.81Å; W127-I132 HydrophobicContact CZ3-CG2 4.25Å; D129-I132 HydrophobicContact CB-CB 4.05Å; D129-I132 HydrophobicContact CB-CG1 3.93Å; D129-I132 PolarHBondContact O-N 3.5Å; D129-I132 PolarHBondContact OD1-N 3.42Å; I132-C135 PolarHBondContact O-N 3.11Å; I132-Y136 PolarHBondContact O-N 2.97Å
133Q98.1Very high96.7Very high64 Ų6448 Ų4830%0.29924%0.237SC..Hα-helixtrans-62.5-44.1176.2-71.4-62-47.100112.1W127 D129 C135 Y136 D137W127-Q133 VanDerWaalsContact CE3-NE2 3.32Å; W127-Q133 PolarHBondContact O-NE2 3.02Å; D129-Q133 WeakPolarHBondContact O-CG 3.49Å; D129-Q133 PolarHBondContact O-N 3.27Å; Q133-C135 VanDerWaalsContact C-N 3.28Å; Q133-C135 PolarHBondContact O-N 3.41Å; Q133-Y136 WeakPolarHBondContact O-CB 3.45Å; Q133-Y136 PolarHBondContact O-N 2.76Å; Q133-D137 PolarHBondContact O-N 3Å
134A97.4Very high96.6Very high43 Ų4348.5 Ų48.536%0.35524%0.239SC..Hα-helixtrans-62.7-35.1176.300000112.6T130 G131T130-A134 VanDerWaalsContact O-CB 3.26Å; T130-A134 WeakPolarHBondContact O-CB 3.24Å; T130-A134 PolarHBondContact O-N 2.84Å; G131-A134 PolarHBondContact O-N 3.26Å
135C98Very high96.3Very high0 Ų048.6 Ų48.60%024%0.24CC..Hα-helixtrans-68.6-43.7173.2-171.80000111.6I80 M84 I89 G131 I132 Q133 D137 R138 A139 Y142I80-C135 HydrophobicContact CG2-CB 4Å; I80-C135 PolarHBondContact O-SG 2.68Å; M84-C135 HydrophobicContact CG-CB 3.59Å; M84-C135 PolarHBondContact N-SG 3.22Å; I89-C135 HydrophobicContact CD1-CB 3.8Å; G131-C135 WeakPolarHBondContact O-CB 3.21Å; G131-C135 PolarHBondContact O-N 3.4Å; I132-C135 PolarHBondContact O-N 3.11Å; Q133-C135 VanDerWaalsContact C-N 3.28Å; Q133-C135 PolarHBondContact O-N 3.41Å; C135-D137 VanDerWaalsContact C-N 3.29Å; C135-D137 PolarHBondContact O-N 3.2Å; C135-R138 CarbonylContact O-C 3.48Å; C135-R138 WeakPolarHBondContact O-CA 3.48Å; C135-R138 PolarHBondContact O-N 3.35Å; C135-A139 PolarHBondContact O-N 2.95Å; C135-Y142 WeakPolarHBondContact O-CE1 3.34Å; C135-Y142 PolarHBondContact O-OH 3.41Å; C135-Y142 VanDerWaalsContact O-OH 3.13Å; C135-Y142 PolarHBondContact SG-OH 3.27Å
136Y97.4Very high95.9Very high67 Ų6745.9 Ų45.926%0.26323%0.233SC..Hα-helixtrans-60.8-36.6176.4177.7-109.3000112.6I80 W127 I132 Q133 R138 A139 L144 A148 G149I80-Y136 HydrophobicContact CD1-CD2 4.04Å; W127-Y136 AromaticContact CH2-CD1 3.57Å; W127-Y136 HydrophobicContact CH2-CD1 3.57Å; W127-Y136 AromaticContact CH2-CD2 3.89Å; W127-Y136 HydrophobicContact CH2-CD2 3.89Å; W127-Y136 AromaticContact CH2-CE1 3.9Å; W127-Y136 HydrophobicContact CH2-CE1 3.9Å; W127-Y136 HydrophobicContact CH2-CE2 4.23Å; W127-Y136 AromaticContact CH2-CG 3.56Å; W127-Y136 HydrophobicContact CH2-CG 3.56Å; W127-Y136 HydrophobicContact CZ2-CD1 4.46Å; W127-Y136 HydrophobicContact CZ3-CD1 4.32Å; W127-Y136 HydrophobicContact CZ3-CD2 4.19Å; W127-Y136 AromaticContact CZ3-CG 3.91Å; W127-Y136 HydrophobicContact CZ3-CG 3.91Å; I132-Y136 PolarHBondContact O-N 2.97Å; Q133-Y136 WeakPolarHBondContact O-CB 3.45Å; Q133-Y136 PolarHBondContact O-N 2.76Å; Y136-R138 PolarHBondContact O-N 3.14Å; Y136-A139 HydrophobicContact CD2-CB 4.47Å; Y136-A139 WeakPolarHBondContact O-CB 3.46Å; Y136-A139 PolarHBondContact O-N 3.24Å; Y136-L144 HydrophobicContact CD2-CD2 3.55Å; Y136-L144 HydrophobicContact CE2-CD2 3.69Å; Y136-A148 HydrophobicContact CE2-CB 4.22Å; Y136-G149 WeakPolarHBondContact OH-CA 3.48Å; Y136-G149 PolarHBondContact OH-N 3.33Å
137D95.4Very high95.7Very high93 Ų9346.5 Ų46.550%0.49724%0.237SC..THydrogen-bonded Turntrans-61.9-21.8174.1-90.5-39.1000113.6Q133 C135 K276Q133-D137 PolarHBondContact O-N 3Å; C135-D137 VanDerWaalsContact C-N 3.29Å; C135-D137 PolarHBondContact O-N 3.2Å; D137-K276 IonicContact OD1-NZ 3.49Å; D137-K276 PolarHBondContact OD1-NZ 3.17Å
138R95.2Very high95.6Very high92 Ų9245.5 Ų45.535%0.34723%0.234SC..THydrogen-bonded Turntrans-104.321.4176.9-64.3175.966.2-167.9-1.5112.4L87 C135 Y136 S140 E141L87-R138 HydrophobicContact CD1-CB 3.83Å; C135-R138 CarbonylContact O-C 3.48Å; C135-R138 WeakPolarHBondContact O-CA 3.48Å; C135-R138 PolarHBondContact O-N 3.35Å; Y136-R138 PolarHBondContact O-N 3.14Å; R138-S140 PolarHBondContact O-N 3.11Å; R138-E141 WeakPolarHBondContact CB-OE1 3.37Å; R138-E141 IonicContact CZ-OE1 2.6Å; R138-E141 IonicContact CZ-OE2 3.4Å; R138-E141 IonicContact NE-OE1 3.39Å; R138-E141 PolarHBondContact NE-OE1 2.88Å; R138-E141 IonicContact NE-OE2 2.72Å; R138-E141 IonicContact NH2-OE1 2.82Å; R138-E141 PolarHBondContact NH2-OE1 2.92Å; R138-E141 IonicContact NH2-OE2 3.24Å; R138-E141 PolarHBondContact NH2-OE2 3.4Å; R138-E141 WeakPolarHBondContact O-CB 3.4Å; R138-E141 PolarHBondContact O-N 2.92Å
139A95Very high95.6Very high20 Ų2038.6 Ų38.617%0.16521%0.205CC..G310 helixtrans-61-11.4-176.200000115.5C135 Y136 E141 L144C135-A139 PolarHBondContact O-N 2.95Å; Y136-A139 HydrophobicContact CD2-CB 4.47Å; Y136-A139 WeakPolarHBondContact O-CB 3.46Å; Y136-A139 PolarHBondContact O-N 3.24Å; A139-E141 VanDerWaalsContact C-N 3.29Å; A139-L144 HydrophobicContact CB-CB 4.19Å; A139-L144 HydrophobicContact CB-CD2 3.55Å; A139-L144 HydrophobicContact CB-CG 4.48Å
140S93.2Very high95.6Very high35 Ų3540.7 Ų40.725%0.24521%0.213CC..G310 helixtrans-73.3-20.6171.348.90000113.4R138 Y142 D227R138-S140 PolarHBondContact O-N 3.11Å; S140-Y142 VanDerWaalsContact C-N 3.3Å; S140-Y142 PolarHBondContact O-N 2.67Å; S140-D227 WeakPolarHBondContact CB-OD2 3.42Å; S140-D227 PolarHBondContact OG-OD2 2.93Å
141E94.1Very high95.6Very high103 Ų10335.8 Ų35.848%0.48118%0.183SC..G310 helixtrans-82.5-5.9-178.4-60.8179.5-128.700113.2L87 R138 A139L87-E141 HydrophobicContact CD1-CB 4.42Å; L87-E141 HydrophobicContact CD2-CB 4Å; L87-E141 WeakPolarHBondContact CD2-OE2 3.43Å; R138-E141 WeakPolarHBondContact CB-OE1 3.37Å; R138-E141 IonicContact CZ-OE1 2.6Å; R138-E141 IonicContact CZ-OE2 3.4Å; R138-E141 IonicContact NE-OE1 3.39Å; R138-E141 PolarHBondContact NE-OE1 2.88Å; R138-E141 IonicContact NE-OE2 2.72Å; R138-E141 IonicContact NH2-OE1 2.82Å; R138-E141 PolarHBondContact NH2-OE1 2.92Å; R138-E141 IonicContact NH2-OE2 3.24Å; R138-E141 PolarHBondContact NH2-OE2 3.4Å; R138-E141 WeakPolarHBondContact O-CB 3.4Å; R138-E141 PolarHBondContact O-N 2.92Å; A139-E141 VanDerWaalsContact C-N 3.29Å
142Y95.3Very high95.6Very high12 Ų1235.9 Ų35.95%0.04718%0.182CC..SBendtrans-146.5175.2176.160.7-88.3000111.5L87 C135 S140 L144L87-Y142 HydrophobicContact CD1-CD1 3.98Å; L87-Y142 HydrophobicContact CD1-CE1 4Å; C135-Y142 WeakPolarHBondContact O-CE1 3.34Å; C135-Y142 PolarHBondContact O-OH 3.41Å; C135-Y142 VanDerWaalsContact O-OH 3.13Å; C135-Y142 PolarHBondContact SG-OH 3.27Å; S140-Y142 VanDerWaalsContact C-N 3.3Å; S140-Y142 PolarHBondContact O-N 2.67Å; Y142-L144 HydrophobicContact CD2-CB 4.23Å; Y142-L144 HydrophobicContact CE2-CB 3.86Å; Y142-L144 HydrophobicContact CE2-CD1 4.46Å; Y142-L144 HydrophobicContact CE2-CD2 4.28Å; Y142-L144 HydrophobicContact CE2-CG 4.42Å; Y142-L144 PolarHBondContact O-N 2.77Å
143Q94Very high95.6Very high69 Ų6941.1 Ų41.132%0.32221%0.21SC..  trans-83.599.7-176.3-57.1-59.8-29.200110.8V229 L230 V231Q143-V229 PolarHBondContact NE2-O 3.28Å; Q143-L230 PolarHBondContact NE2-O 2.77Å; Q143-V231 HydrophobicContact CG-CG2 4.25Å; Q143-V231 VanDerWaalsContact OE1-CG2 3.25Å
144L95.1Very high95.6Very high10 Ų1040.8 Ų40.85%0.05221%0.21CC..  trans-125.7145.6173.8-17063.4000111.5A79 I80 Y136 A139 Y142 A148A79-L144 HydrophobicContact CB-CD1 3.86Å; I80-L144 HydrophobicContact CD1-CD1 4.42Å; I80-L144 HydrophobicContact CD1-CD2 4.25Å; I80-L144 HydrophobicContact CG1-CD1 3.9Å; I80-L144 HydrophobicContact CG1-CD2 3.93Å; Y136-L144 HydrophobicContact CD2-CD2 3.55Å; Y136-L144 HydrophobicContact CE2-CD2 3.69Å; A139-L144 HydrophobicContact CB-CB 4.19Å; A139-L144 HydrophobicContact CB-CD2 3.55Å; A139-L144 HydrophobicContact CB-CG 4.48Å; Y142-L144 HydrophobicContact CD2-CB 4.23Å; Y142-L144 HydrophobicContact CE2-CB 3.86Å; Y142-L144 HydrophobicContact CE2-CD1 4.46Å; Y142-L144 HydrophobicContact CE2-CD2 4.28Å; Y142-L144 HydrophobicContact CE2-CG 4.42Å; Y142-L144 PolarHBondContact O-N 2.77Å; L144-A148 HydrophobicContact CD1-CB 3.86Å; L144-A148 HydrophobicContact CD2-CB 3.9Å; L144-A148 HydrophobicContact CG-CB 3.84Å
145N90.7Very high95.6Very high28 Ų2838.9 Ų38.915%0.1519%0.194CC..  trans-76.6137.3173.8-172.79.9000111S147 A148 R174N145-S147 PolarHBondContact O-N 3.42Å; N145-S147 VanDerWaalsContact O-N 3.14Å; N145-A148 WeakPolarHBondContact O-CB 3.45Å; N145-A148 PolarHBondContact O-N 2.91Å; N145-R174 WeakPolarHBondContact ND2-CB 3.44Å; N145-R174 VanDerWaalsContact ND2-CD 3.34Å; N145-R174 WeakPolarHBondContact ND2-CD 3.01Å
146D89.6Confident95.5Very high45 Ų4544 Ų4424%0.24122%0.218CC..THydrogen-bonded Turntrans-58.2-30.9179.7-62.1-24000113.1A148 K266D146-A148 PolarHBondContact O-N 3.29Å; D146-K266 WeakPolarHBondContact OD2-CD 3.41Å; D146-K266 WeakPolarHBondContact OD2-CE 3.33Å; D146-K266 IonicContact OD2-NZ 3.82Å; D146-K266 PolarHBondContact OD2-NZ 3.07Å
147S94Very high95.5Very high12 Ų1244.7 Ų44.78%0.08422%0.22CC..THydrogen-bonded Turntrans-75.9-2.6178.3-54.90000114.2N145 G149 Y150 Y151 R172N145-S147 PolarHBondContact O-N 3.42Å; N145-S147 VanDerWaalsContact O-N 3.14Å; S147-G149 PolarHBondContact O-N 3.33Å; S147-Y150 WeakPolarHBondContact O-CB 3.32Å; S147-Y150 PolarHBondContact O-N 3Å; S147-Y151 WeakPolarHBondContact O-CD2 3.36Å; S147-Y151 PolarHBondContact O-N 2.6Å; S147-R172 WeakPolarHBondContact CB-O 3.25Å; S147-R172 WeakPolarHBondContact OG-CB 3.39Å; S147-R172 PolarHBondContact OG-O 2.82Å
148A96.8Very high95.6Very high0 Ų040.2 Ų40.20%020%0.196CC..Hα-helixtrans-54.3-51.5-176.300000112.2Y136 L144 N145 D146 Y150 Y151 L152Y136-A148 HydrophobicContact CE2-CB 4.22Å; L144-A148 HydrophobicContact CD1-CB 3.86Å; L144-A148 HydrophobicContact CD2-CB 3.9Å; L144-A148 HydrophobicContact CG-CB 3.84Å; N145-A148 WeakPolarHBondContact O-CB 3.45Å; N145-A148 PolarHBondContact O-N 2.91Å; D146-A148 PolarHBondContact O-N 3.29Å; A148-Y150 VanDerWaalsContact C-N 3.31Å; A148-Y150 PolarHBondContact O-N 3.21Å; A148-Y151 PolarHBondContact O-N 3.15Å; A148-L152 WeakPolarHBondContact O-CB 3.49Å; A148-L152 WeakPolarHBondContact O-CD1 3.1Å; A148-L152 VanDerWaalsContact O-CG 3.23Å; A148-L152 WeakPolarHBondContact O-CG 3.23Å; A148-L152 PolarHBondContact O-N 3.44Å
149G96.5Very high95.7Very high4 Ų437.7 Ų37.74%0.04119%0.191CC..Hα-helixtrans-62.7-37.2-179.800000112.9Y136 S147 N153Y136-G149 WeakPolarHBondContact OH-CA 3.48Å; Y136-G149 PolarHBondContact OH-N 3.33Å; S147-G149 PolarHBondContact O-N 3.33Å; G149-N153 WeakPolarHBondContact O-CB 3.47Å; G149-N153 PolarHBondContact O-N 3.16Å; G149-N153 PolarHBondContact O-ND2 3.28Å; G149-N153 VanDerWaalsContact O-ND2 3.09Å
150Y97.3Very high95.8Very high50 Ų5042 Ų4220%0.19621%0.208CC..Hα-helixtrans-59.2-51.5177.8174.2-98000111.6S147 A148 D154 R157 Q168 D169 R172S147-Y150 WeakPolarHBondContact O-CB 3.32Å; S147-Y150 PolarHBondContact O-N 3Å; A148-Y150 VanDerWaalsContact C-N 3.31Å; A148-Y150 PolarHBondContact O-N 3.21Å; Y150-D154 PolarHBondContact O-N 3.49Å; Y150-R157 PolarHBondContact OH-NH2 3.05Å; Y150-Q168 WeakPolarHBondContact OH-CB 3.4Å; Y150-D169 VanDerWaalsContact CE1-OD1 3.29Å; Y150-D169 WeakPolarHBondContact CE1-OD1 3.45Å; Y150-D169 PolarHBondContact OH-OD1 2.91Å; Y150-R172 HydrophobicContact CD1-CB 4.28Å; Y150-R172 HydrophobicContact CD1-CG 4.45Å; Y150-R172 HydrophobicContact CE1-CB 4.48Å
151Y98.1Very high95.8Very high0 Ų046.3 Ų46.30%024%0.235CC..Hα-helixtrans-72.9-37.3-178.3-66.4-55.7000113.6I69 N72 T73 S147 A148 D154 L155 L158 D169 R172 S173I69-Y151 HydrophobicContact CB-CE1 4.39Å; I69-Y151 HydrophobicContact CG1-CE1 4.1Å; I69-Y151 HydrophobicContact CG2-CD1 3.83Å; I69-Y151 HydrophobicContact CG2-CE1 3.61Å; N72-Y151 HydrophobicContact CB-CE2 4.24Å; T73-Y151 WeakPolarHBondContact OG1-CB 3.45Å; S147-Y151 WeakPolarHBondContact O-CD2 3.36Å; S147-Y151 PolarHBondContact O-N 2.6Å; A148-Y151 PolarHBondContact O-N 3.15Å; Y151-D154 CarbonylContact O-C 3.56Å; Y151-D154 PolarHBondContact O-N 3.15Å; Y151-L155 WeakPolarHBondContact O-CA 3.5Å; Y151-L155 PolarHBondContact O-N 3.18Å; Y151-L158 HydrophobicContact CD1-CD1 3.74Å; Y151-L158 HydrophobicContact CG-CD1 4.36Å; Y151-L158 WeakPolarHBondContact O-CD1 3.21Å; Y151-D169 PolarHBondContact OH-O 3.12Å; Y151-R172 PolarHBondContact OH-O 3.45Å; Y151-S173 WeakPolarHBondContact OH-CA 3.45Å; Y151-S173 WeakPolarHBondContact OH-CB 3.17Å; Y151-S173 PolarHBondContact OH-N 2.91Å
152L98.3Very high95.8Very high6 Ų645 Ų453%0.03125%0.248CC..Hα-helixtrans-70.3-36-178.8-67169000111.8T73 I77 I80 I123 W127 A148 D154T73-L152 HydrophobicContact CG2-CD2 3.91Å; I77-L152 HydrophobicContact CB-CD2 4.02Å; I80-L152 HydrophobicContact CD1-CD1 3.7Å; I123-L152 HydrophobicContact CG2-CD2 3.6Å; W127-L152 HydrophobicContact CD2-CB 3.61Å; W127-L152 HydrophobicContact CD2-CD1 4.12Å; W127-L152 HydrophobicContact CD2-CG 4.39Å; W127-L152 HydrophobicContact CE3-CB 4.06Å; W127-L152 HydrophobicContact CE3-CD1 3.64Å; W127-L152 HydrophobicContact CE3-CG 4.38Å; W127-L152 HydrophobicContact CG-CB 3.93Å; W127-L152 HydrophobicContact CH2-CB 4.4Å; W127-L152 HydrophobicContact CH2-CD1 4.09Å; W127-L152 HydrophobicContact CZ2-CB 4Å; W127-L152 HydrophobicContact CZ3-CB 4.44Å; W127-L152 HydrophobicContact CZ3-CD1 3.65Å; A148-L152 WeakPolarHBondContact O-CB 3.49Å; A148-L152 WeakPolarHBondContact O-CD1 3.1Å; A148-L152 VanDerWaalsContact O-CG 3.23Å; A148-L152 WeakPolarHBondContact O-CG 3.23Å; A148-L152 PolarHBondContact O-N 3.44Å; L152-D154 VanDerWaalsContact C-N 3.33Å
153N98Very high95.9Very high110 Ų11045.4 Ų45.459%0.58825%0.25SS*.Hα-helixtrans-65.2-37.4173.6-72.5-20.6000112.4W127 G149W127-N153 PolarHBondContact NE1-OD1 2.85Å; G149-N153 WeakPolarHBondContact O-CB 3.47Å; G149-N153 PolarHBondContact O-N 3.16Å; G149-N153 PolarHBondContact O-ND2 3.28Å; G149-N153 VanDerWaalsContact O-ND2 3.09Å
154D97.4Very high96Very high58 Ų5846.4 Ų46.431%0.3126%0.257SS..THydrogen-bonded Turntrans-97.38.5-175.4-83.75.1000113.9Y150 Y151 L152 E156 R157 L158Y150-D154 PolarHBondContact O-N 3.49Å; Y151-D154 CarbonylContact O-C 3.56Å; Y151-D154 PolarHBondContact O-N 3.15Å; L152-D154 VanDerWaalsContact C-N 3.33Å; D154-E156 PolarHBondContact O-N 3.1Å; D154-R157 WeakPolarHBondContact O-CA 3.37Å; D154-R157 VanDerWaalsContact O-CB 3.32Å; D154-R157 WeakPolarHBondContact O-CB 3.38Å; D154-R157 PolarHBondContact O-N 3.41Å; D154-R157 IonicContact OD2-CZ 3.59Å; D154-R157 IonicContact OD2-NE 3.92Å; D154-R157 PolarHBondContact OD2-NE 2.88Å; D154-R157 IonicContact OD2-NH2 2.83Å; D154-R157 PolarHBondContact OD2-NH2 3.37Å; D154-L158 HydrophobicContact CB-CG 4.48Å; D154-L158 WeakPolarHBondContact O-CG 3.34Å; D154-L158 PolarHBondContact O-N 2.85Å; D154-L158 VanDerWaalsContact O-N 3.13Å
155L97.9Very high96.1Very high2 Ų246.2 Ų46.21%0.0126%0.256CS..Hα-helixtrans-54.4-36.9-170.2179.857.8000113.2T73 I123 I124 Y151 R157 L158 V159T73-L155 HydrophobicContact CG2-CD1 4Å; I123-L155 HydrophobicContact CB-CD2 3.57Å; I123-L155 HydrophobicContact CG2-CD2 3.36Å; I124-L155 HydrophobicContact CG1-CB 4.39Å; I124-L155 HydrophobicContact CG1-CD2 3.81Å; I124-L155 HydrophobicContact CG1-CG 4.13Å; Y151-L155 WeakPolarHBondContact O-CA 3.5Å; Y151-L155 PolarHBondContact O-N 3.18Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 3.01Å; L155-L158 PolarHBondContact O-N 2.87Å; L155-L158 VanDerWaalsContact O-N 3.13Å; L155-V159 HydrophobicContact CD1-CG1 3.66Å; L155-V159 HydrophobicContact CG-CG1 4.38Å; L155-V159 WeakPolarHBondContact O-CG2 3.08Å; L155-V159 PolarHBondContact O-N 3.38Å; L155-V159 VanDerWaalsContact O-N 3.12Å
156E97.1Very high96.4Very high109 Ų10948 Ų4851%0.50927%0.268SS..Hα-helixtrans-60.5-33.8176.3-70.9-179.8-175.500113.2I124 K128 D154 Q160I124-E156 HydrophobicContact CD1-CG 3.64Å; I124-E156 HydrophobicContact CG1-CG 4.29Å; K128-E156 IonicContact NZ-OE1 3.4Å; D154-E156 PolarHBondContact O-N 3.1Å; E156-Q160 WeakPolarHBondContact O-CG 3.48Å; E156-Q160 PolarHBondContact O-NE2 3.31Å
157R97.4Very high96.8Very high80 Ų8050 Ų5030%0.30228%0.276SS..Hα-helixtrans-72.6-42.8172.9174.9-175.964.584.1-3.9110.8Y150 D154 L155 V159 Q160 D169Y150-R157 PolarHBondContact OH-NH2 3.05Å; D154-R157 WeakPolarHBondContact O-CA 3.37Å; D154-R157 VanDerWaalsContact O-CB 3.32Å; D154-R157 WeakPolarHBondContact O-CB 3.38Å; D154-R157 PolarHBondContact O-N 3.41Å; D154-R157 IonicContact OD2-CZ 3.59Å; D154-R157 IonicContact OD2-NE 3.92Å; D154-R157 PolarHBondContact OD2-NE 2.88Å; D154-R157 IonicContact OD2-NH2 2.83Å; D154-R157 PolarHBondContact OD2-NH2 3.37Å; L155-R157 VanDerWaalsContact C-N 3.28Å; L155-R157 PolarHBondContact O-N 3.01Å; R157-V159 VanDerWaalsContact C-N 3.27Å; R157-V159 PolarHBondContact O-N 3.37Å; R157-Q160 PolarHBondContact O-N 2.86Å; R157-D169 IonicContact CZ-OD1 3.57Å; R157-D169 IonicContact CZ-OD2 3.57Å; R157-D169 IonicContact NH1-OD1 2.61Å; R157-D169 PolarHBondContact NH1-OD1 3.13Å; R157-D169 IonicContact NH1-OD2 3.72Å; R157-D169 PolarHBondContact NH1-OD2 2.84Å; R157-D169 IonicContact NH2-OD1 2.72Å; R157-D169 PolarHBondContact NH2-OD1 3.11Å; R157-D169 IonicContact NH2-OD2 3.17Å
158L97.3Very high96.9Very high0 Ų052.5 Ų52.50%029%0.286CS..Hα-helixtrans-65.9-28.7-174.6-58.3176.5000112.6I69 Y70 Y151 D154 L155 Y163I69-L158 HydrophobicContact CG2-CD1 4.19Å; I69-L158 HydrophobicContact CG2-CD2 4.42Å; Y70-L158 HydrophobicContact CE1-CB 4.42Å; Y70-L158 WeakPolarHBondContact CE1-O 3.47Å; Y70-L158 PolarHBondContact OH-O 2.78Å; Y151-L158 HydrophobicContact CD1-CD1 3.74Å; Y151-L158 HydrophobicContact CG-CD1 4.36Å; Y151-L158 WeakPolarHBondContact O-CD1 3.21Å; D154-L158 HydrophobicContact CB-CG 4.48Å; D154-L158 WeakPolarHBondContact O-CG 3.34Å; D154-L158 PolarHBondContact O-N 2.85Å; D154-L158 VanDerWaalsContact O-N 3.13Å; L155-L158 PolarHBondContact O-N 2.87Å; L155-L158 VanDerWaalsContact O-N 3.13Å; L158-Y163 HydrophobicContact CD2-CE1 4.19Å; L158-Y163 HydrophobicContact CD2-CE2 3.91Å; L158-Y163 VanDerWaalsContact CD2-OH 3.29Å; L158-Y163 WeakPolarHBondContact CD2-OH 3.47Å; L158-Y163 WeakPolarHBondContact O-CD1 3.4Å; L158-Y163 VanDerWaalsContact O-CG 3.27Å
159V96.8Very high96.9Very high38 Ų3852.5 Ų52.523%0.2329%0.286CS..THydrogen-bonded Turntrans-98.57.6-177.1-560000114.1Y70 M115 L155 R157Y70-V159 HydrophobicContact CE1-CG1 4.43Å; M115-V159 HydrophobicContact CB-CG1 4.42Å; M115-V159 HydrophobicContact CG-CG1 3.56Å; L155-V159 HydrophobicContact CD1-CG1 3.66Å; L155-V159 HydrophobicContact CG-CG1 4.38Å; L155-V159 WeakPolarHBondContact O-CG2 3.08Å; L155-V159 PolarHBondContact O-N 3.38Å; L155-V159 VanDerWaalsContact O-N 3.12Å; R157-V159 VanDerWaalsContact C-N 3.27Å; R157-V159 PolarHBondContact O-N 3.37Å
160Q96.3Very high97Very high112 Ų11252.5 Ų52.552%0.52329%0.285SS..SBendtrans-64.9142176.2-70.2-58-40.500111.3E156 R157 G162 Y163E156-Q160 WeakPolarHBondContact O-CG 3.48Å; E156-Q160 PolarHBondContact O-NE2 3.31Å; R157-Q160 PolarHBondContact O-N 2.86Å; Q160-G162 PolarHBondContact O-N 3.34Å; Q160-Y163 VanDerWaalsContact O-CB 3.31Å; Q160-Y163 WeakPolarHBondContact O-CB 3.43Å; Q160-Y163 PolarHBondContact O-N 2.76Å
161P94.3Very high96.9Very high125 Ų12550.2 Ų50.281%0.81228%0.276SS*.THydrogen-bonded Turntrans-56.2128.5170.8-23.733.9000111.1
162G94Very high96.8Very high74 Ų7453.1 Ų53.176%0.76329%0.287SS*.THydrogen-bonded Turntrans79.317-177.300000114.6Q160 I164Q160-G162 PolarHBondContact O-N 3.34Å; G162-I164 PolarHBondContact O-N 2.87Å
163Y96.3Very high96.7Very high22 Ų2253.1 Ų53.19%0.08629%0.288CS..  trans-53.5127.2170.9168.3-121.8000111.5V66 L158 Q160 P165 D169V66-Y163 HydrophobicContact CG2-CD1 4.38Å; V66-Y163 HydrophobicContact CG2-CE1 4.4Å; L158-Y163 HydrophobicContact CD2-CE1 4.19Å; L158-Y163 HydrophobicContact CD2-CE2 3.91Å; L158-Y163 VanDerWaalsContact CD2-OH 3.29Å; L158-Y163 WeakPolarHBondContact CD2-OH 3.47Å; L158-Y163 WeakPolarHBondContact O-CD1 3.4Å; L158-Y163 VanDerWaalsContact O-CG 3.27Å; Q160-Y163 VanDerWaalsContact O-CB 3.31Å; Q160-Y163 WeakPolarHBondContact O-CB 3.43Å; Q160-Y163 PolarHBondContact O-N 2.76Å; Y163-P165 HydrophobicContact CE1-CG 3.88Å; Y163-P165 WeakPolarHBondContact OH-CA 3.34Å; Y163-D169 PolarHBondContact OH-OD2 2.96Å
164I96.8Very high96.5Very high90 Ų9051.7 Ų51.746%0.46227%0.274SS..  trans-117.8123.2171.5-63168.5000106.7L59 M63 G162 T166L59-I164 HydrophobicContact CD1-CD1 3.86Å; L59-I164 HydrophobicContact CD1-CG1 4.15Å; L59-I164 HydrophobicContact CD1-CG2 3.88Å; M63-I164 HydrophobicContact SD-CG1 4.21Å; G162-I164 PolarHBondContact O-N 2.87Å; I164-T166 PolarHBondContact O-N 2.78Å
165P97.9Very high96.2Very high6 Ų653 Ų534%0.03928%0.284CS..  trans-57.3134.5178.4-29.839.3000113S62 F65 V66 I69 Y163 D169 M170S62-P165 VanDerWaalsContact O-CG 3.28Å; S62-P165 WeakPolarHBondContact O-CG 3.39Å; F65-P165 HydrophobicContact CB-CB 4.44Å; F65-P165 HydrophobicContact CB-CG 4.32Å; V66-P165 HydrophobicContact CG2-CG 3.59Å; I69-P165 HydrophobicContact CD1-CB 3.78Å; I69-P165 HydrophobicContact CD1-CG 3.84Å; Y163-P165 HydrophobicContact CE1-CG 3.88Å; Y163-P165 WeakPolarHBondContact OH-CA 3.34Å; P165-D169 HydrophobicContact CB-CB 4.18Å; P165-M170 HydrophobicContact CB-CG 4.04Å
166T97.2Very high95.8Very high64 Ų6458.2 Ų58.239%0.39331%0.306SS..  trans-79164.6170.868.50000110.4I164 Q168 D169 M170I164-T166 PolarHBondContact O-N 2.78Å; T166-Q168 PolarHBondContact O-N 3.13Å; T166-Q168 PolarHBondContact OG1-N 3.03Å; T166-D169 WeakPolarHBondContact CB-OD2 3.4Å; T166-D169 WeakPolarHBondContact CG2-OD2 3.39Å; T166-D169 PolarHBondContact N-OD2 3.14Å; T166-D169 WeakPolarHBondContact O-CB 3.33Å; T166-D169 PolarHBondContact O-N 2.88Å; T166-D169 VanDerWaalsContact O-N 3.08Å; T166-D169 VanDerWaalsContact OG1-CG 3.23Å; T166-D169 PolarHBondContact OG1-N 3.21Å; T166-D169 PolarHBondContact OG1-OD2 3.12Å; T166-M170 WeakPolarHBondContact O-CG 3.4Å; T166-M170 PolarHBondContact O-N 3.28Å
167E96.3Very high95.4Very high89 Ų8954.2 Ų54.242%0.41629%0.29SS..Hα-helixtrans-55.4-35.6171.8-66.9-176.5165.300112.4I51 M170 L171I51-E167 HydrophobicContact CD1-CB 4.18Å; I51-E167 HydrophobicContact CD1-CG 4.34Å; E167-M170 HydrophobicContact CG-CE 4.22Å; E167-M170 PolarHBondContact O-N 3.39Å; E167-L171 WeakPolarHBondContact O-CB 3.31Å; E167-L171 VanDerWaalsContact O-CG 3.22Å; E167-L171 WeakPolarHBondContact O-CG 3.31Å; E167-L171 PolarHBondContact O-N 2.73Å
168Q96.8Very high95.1Very high64 Ų6454.8 Ų54.830%0.29930%0.302SS..Hα-helixtrans-67.4-39.9176.4-80.9-63.8-25.800112.6Y150 T166 M170 L171 R172 T323Y150-Q168 WeakPolarHBondContact OH-CB 3.4Å; T166-Q168 PolarHBondContact O-N 3.13Å; T166-Q168 PolarHBondContact OG1-N 3.03Å; Q168-M170 VanDerWaalsContact C-N 3.34Å; Q168-L171 PolarHBondContact O-N 3.26Å; Q168-R172 WeakPolarHBondContact O-CB 3.33Å; Q168-R172 VanDerWaalsContact O-CG 3.3Å; Q168-R172 WeakPolarHBondContact O-CG 3.46Å; Q168-R172 PolarHBondContact O-N 3.39Å; Q168-R172 VanDerWaalsContact O-N 3.09Å; Q168-T323 PolarHBondContact NE2-O 2.79Å
169D97.7Very high94.7Very high0 Ų055.6 Ų55.60%031%0.311CS..Hα-helixtrans-60.4-47.3172.9-59.7-56.3000110I69 Y150 Y151 R157 Y163 P165 T166 L171 R172 S173I69-D169 HydrophobicContact CD1-CB 3.73Å; Y150-D169 VanDerWaalsContact CE1-OD1 3.29Å; Y150-D169 WeakPolarHBondContact CE1-OD1 3.45Å; Y150-D169 PolarHBondContact OH-OD1 2.91Å; Y151-D169 PolarHBondContact OH-O 3.12Å; R157-D169 IonicContact CZ-OD1 3.57Å; R157-D169 IonicContact CZ-OD2 3.57Å; R157-D169 IonicContact NH1-OD1 2.61Å; R157-D169 PolarHBondContact NH1-OD1 3.13Å; R157-D169 IonicContact NH1-OD2 3.72Å; R157-D169 PolarHBondContact NH1-OD2 2.84Å; R157-D169 IonicContact NH2-OD1 2.72Å; R157-D169 PolarHBondContact NH2-OD1 3.11Å; R157-D169 IonicContact NH2-OD2 3.17Å; Y163-D169 PolarHBondContact OH-OD2 2.96Å; P165-D169 HydrophobicContact CB-CB 4.18Å; T166-D169 WeakPolarHBondContact CB-OD2 3.4Å; T166-D169 WeakPolarHBondContact CG2-OD2 3.39Å; T166-D169 PolarHBondContact N-OD2 3.14Å; T166-D169 WeakPolarHBondContact O-CB 3.33Å; T166-D169 PolarHBondContact O-N 2.88Å; T166-D169 VanDerWaalsContact O-N 3.08Å; T166-D169 VanDerWaalsContact OG1-CG 3.23Å; T166-D169 PolarHBondContact OG1-N 3.21Å; T166-D169 PolarHBondContact OG1-OD2 3.12Å; D169-L171 PolarHBondContact O-N 2.75Å; D169-R172 PolarHBondContact O-N 2.96Å; D169-S173 PolarHBondContact O-N 3.29Å
170M96.9Very high94.4Very high4 Ų457 Ų572%0.0232%0.316CS..Hα-helixtrans-65.4-40.5-180-66.4-173.4-76.300112.9K47 Y57 F65 P165 T166 E167 Q168 R172 S173K47-M170 WeakPolarHBondContact CD-O 3.45Å; K47-M170 PolarHBondContact NZ-O 2.96Å; Y57-M170 HydrophobicContact CD1-SD 4.29Å; Y57-M170 HydrophobicContact CD2-CE 3.78Å; Y57-M170 HydrophobicContact CD2-SD 3.96Å; Y57-M170 HydrophobicContact CG-CE 3.99Å; Y57-M170 HydrophobicContact CG-SD 3.8Å; F65-M170 HydrophobicContact CB-CG 4.03Å; F65-M170 HydrophobicContact CD1-CB 4.39Å; F65-M170 HydrophobicContact CD1-CG 4.23Å; F65-M170 HydrophobicContact CD2-CB 4.42Å; F65-M170 HydrophobicContact CD2-CG 3.7Å; F65-M170 HydrophobicContact CD2-SD 3.57Å; F65-M170 VanDerWaalsContact CD2-SD 3.57Å; F65-M170 HydrophobicContact CE1-CB 4.49Å; F65-M170 HydrophobicContact CE2-CG 4.2Å; F65-M170 HydrophobicContact CE2-SD 3.88Å; F65-M170 HydrophobicContact CG-CB 4.35Å; F65-M170 HydrophobicContact CG-CG 3.72Å; F65-M170 HydrophobicContact CG-SD 4.22Å; P165-M170 HydrophobicContact CB-CG 4.04Å; T166-M170 WeakPolarHBondContact O-CG 3.4Å; T166-M170 PolarHBondContact O-N 3.28Å; E167-M170 HydrophobicContact CG-CE 4.22Å; E167-M170 PolarHBondContact O-N 3.39Å; Q168-M170 VanDerWaalsContact C-N 3.34Å; M170-R172 VanDerWaalsContact C-N 3.33Å; M170-R172 PolarHBondContact O-N 2.88Å; M170-S173 PolarHBondContact O-N 3.3Å; M170-S173 PolarHBondContact O-OG 2.96Å
171L96.8Very high94.2Very high2 Ų255.5 Ų55.51%0.0131%0.311CS..Hα-helixtrans-64.8-37177.9-77.9169.5000112.5T44 K47 Q48 I51 E167 Q168 D169T44-L171 HydrophobicContact CG2-CB 4.49Å; T44-L171 HydrophobicContact CG2-CD2 4.02Å; K47-L171 HydrophobicContact CB-CD2 3.83Å; Q48-L171 HydrophobicContact CG-CD2 3.68Å; I51-L171 HydrophobicContact CD1-CD1 3.96Å; I51-L171 HydrophobicContact CD1-CD2 3.86Å; I51-L171 HydrophobicContact CD1-CG 3.82Å; E167-L171 WeakPolarHBondContact O-CB 3.31Å; E167-L171 VanDerWaalsContact O-CG 3.22Å; E167-L171 WeakPolarHBondContact O-CG 3.31Å; E167-L171 PolarHBondContact O-N 2.73Å; Q168-L171 PolarHBondContact O-N 3.26Å; D169-L171 PolarHBondContact O-N 2.75Å
172R96.5Very high94.2Very high60 Ų6053 Ų5323%0.22629%0.289CS..Hα-helixtrans-83.5-12.8-179.2-71.4176.3179.1-93.8-0.5113.3S147 Y150 Y151 Q168 D169 M170 T323S147-R172 WeakPolarHBondContact CB-O 3.25Å; S147-R172 WeakPolarHBondContact OG-CB 3.39Å; S147-R172 PolarHBondContact OG-O 2.82Å; Y150-R172 HydrophobicContact CD1-CB 4.28Å; Y150-R172 HydrophobicContact CD1-CG 4.45Å; Y150-R172 HydrophobicContact CE1-CB 4.48Å; Y151-R172 PolarHBondContact OH-O 3.45Å; Q168-R172 WeakPolarHBondContact O-CB 3.33Å; Q168-R172 VanDerWaalsContact O-CG 3.3Å; Q168-R172 WeakPolarHBondContact O-CG 3.46Å; Q168-R172 PolarHBondContact O-N 3.39Å; Q168-R172 VanDerWaalsContact O-N 3.09Å; D169-R172 PolarHBondContact O-N 2.96Å; M170-R172 VanDerWaalsContact C-N 3.33Å; M170-R172 PolarHBondContact O-N 2.88Å; R172-T323 HydrophobicContact CG-CG2 3.95Å
173S95.8Very high94.2Very high6 Ų650.5 Ų50.54%0.04226%0.258CS..  trans-68.5141.2177.975.80000111K47 F65 Y151 D169 M170K47-S173 PolarHBondContact NZ-O 3.23Å; K47-S173 PolarHBondContact NZ-OG 3.45Å; F65-S173 VanDerWaalsContact CD1-OG 3.24Å; F65-S173 WeakPolarHBondContact CD1-OG 3.2Å; F65-S173 WeakPolarHBondContact CE1-OG 3.25Å; Y151-S173 WeakPolarHBondContact OH-CA 3.45Å; Y151-S173 WeakPolarHBondContact OH-CB 3.17Å; Y151-S173 PolarHBondContact OH-N 2.91Å; D169-S173 PolarHBondContact O-N 3.29Å; M170-S173 PolarHBondContact O-N 3.3Å; M170-S173 PolarHBondContact O-OG 2.96Å
174R93Very high94Very high80 Ų8054.5 Ų54.530%0.30228%0.278SS..  trans-115.3116.3-174.1178.1178.6167.9155.3-0.2109.3E39 N72 N145E39-R174 VanDerWaalsContact CD-CZ 3.42Å; E39-R174 VanDerWaalsContact CD-NH2 3.34Å; E39-R174 IonicContact OE1-CZ 3.29Å; E39-R174 IonicContact OE1-NH1 2.77Å; E39-R174 PolarHBondContact OE1-NH1 3.42Å; E39-R174 IonicContact OE1-NH2 2.9Å; E39-R174 PolarHBondContact OE1-NH2 2.91Å; E39-R174 IonicContact OE2-NH1 2.71Å; E39-R174 PolarHBondContact OE2-NH1 3Å; N72-R174 PolarHBondContact ND2-O 2.89Å; N72-R174 PolarHBondContact OD1-N 3.5Å; N72-R174 PolarHBondContact OD1-O 2.98Å; N145-R174 WeakPolarHBondContact ND2-CB 3.44Å; N145-R174 VanDerWaalsContact ND2-CD 3.34Å; N145-R174 WeakPolarHBondContact ND2-CD 3.01Å
175V91.8Very high93.8Very high85 Ų8550.7 Ų50.752%0.51526%0.258SS..  trans-121133166.7-177.20000106.9I68 T177I68-V175 HydrophobicContact CD1-CG2 3.79Å; I68-V175 HydrophobicContact CG1-CG2 4.28Å; I68-V175 HydrophobicContact CG2-CG2 3.68Å; V175-T177 PolarHBondContact O-N 3.36Å
176K90Very high93.4Very high112 Ų11252.5 Ų52.549%0.48728%0.278SS..  trans-71.6110.8175.5177.5179.1169168.50108.7T178 Q200K176-T178 PolarHBondContact O-N 3.19Å; K176-Q200 VanDerWaalsContact CE-CD 3.44Å
177T88.8Confident92.9Very high25 Ų2550.7 Ų50.715%0.15327%0.265CS..  trans-66.1122.7174.7-49.70000110.7S43 V175 I181S43-T177 PolarHBondContact OG-OG1 3.01Å; V175-T177 PolarHBondContact O-N 3.36Å; T177-I181 HydrophobicContact CG2-CD1 3.84Å; T177-I181 HydrophobicContact CG2-CG1 4.29Å
178T89.1Confident92Very high93 Ų9351.2 Ų51.257%0.57127%0.266SS*.  trans-116.6135.3172.5570000108.8K176K176-T178 PolarHBondContact O-N 3.19Å
179G89.2Confident91.2Very high17 Ų1755.8 Ų55.818%0.17529%0.293CS..SBendtrans75.9-148.5-176.500000114.2G198 E203G179-G198 PolarHBondContact O-N 3.46Å; G179-E203 PolarHBondContact N-OE2 3.35Å
180I92Very high90.6Very high68 Ų6857.2 Ų57.235%0.34930%0.3SS..EExtended strand (participates in β ladder)trans-123124.4-174.6-60.8155.3000107.1F195 D196 V197 H209 C210I180-F195 HydrophobicContact CG2-CD1 4.11Å; I180-D196 WeakPolarHBondContact CA-O 3.47Å; I180-V197 HydrophobicContact CB-CG1 4.43Å; I180-V197 HydrophobicContact CG1-CG1 3.9Å; I180-V197 HydrophobicContact CG2-CG1 4.26Å; I180-H209 HydrophobicContact CD1-CB 4.06Å; I180-C210 WeakPolarHBondContact CD1-SG 3.46Å; I180-C210 VanDerWaalsContact CG2-SG 3.5Å
181I92.3Very high90.3Very high80 Ų8060.1 Ų60.141%0.4132%0.316SS..EExtended strand (participates in β ladder)trans-110.7127.4175.2-58.8178000107.6T177 F195 D196T177-I181 HydrophobicContact CG2-CD1 3.84Å; T177-I181 HydrophobicContact CG2-CG1 4.29Å; I181-F195 WeakPolarHBondContact O-CA 3.29Å; I181-D196 PolarHBondContact N-O 3.46Å; I181-D196 PolarHBondContact O-N 2.98Å
182E93.8Very high90.1Very high73 Ų7360 Ų6034%0.34132%0.315SS..EExtended strand (participates in β ladder)trans-103.8135.3175.3-171.9-177.8149.300110Q184 R193 M194 F195E182-Q184 PolarHBondContact OE1-NE2 3.24Å; E182-R193 VanDerWaalsContact CD-NH2 3.28Å; E182-R193 IonicContact OE1-CZ 3.91Å; E182-R193 VanDerWaalsContact OE1-CZ 3.22Å; E182-R193 IonicContact OE1-NE 2.77Å; E182-R193 PolarHBondContact OE1-NE 3.22Å; E182-R193 IonicContact OE1-NH2 2.86Å; E182-R193 PolarHBondContact OE1-NH2 3.09Å; E182-R193 IonicContact OE2-CZ 2.67Å; E182-R193 IonicContact OE2-NE 3.27Å; E182-R193 IonicContact OE2-NH2 3.06Å; E182-R193 PolarHBondContact OE2-NH2 2.85Å; E182-M194 CarbonylContact C-O 3.58Å; E182-M194 WeakPolarHBondContact CA-O 3.43Å; E182-F195 HydrophobicContact CB-CD1 4.19Å; E182-F195 HydrophobicContact CB-CE1 4.13Å; E182-F195 HydrophobicContact CG-CD1 4.11Å; E182-F195 HydrophobicContact CG-CE1 3.74Å; E182-F195 HydrophobicContact CG-CZ 4.16Å; E182-F195 VanDerWaalsContact OE2-CE1 3.31Å; E182-F195 WeakPolarHBondContact OE2-CE1 3.36Å
183T92.7Very high90Very high21 Ų2160.1 Ų60.113%0.12932%0.316CS..EExtended strand (participates in β ladder)trans-130.1135.3173.8-58.70000109.6V46 M194V46-T183 HydrophobicContact CG1-CG2 4.35Å; V46-T183 WeakPolarHBondContact CG1-OG1 3.49Å; T183-M194 PolarHBondContact N-O 3.36Å; T183-M194 PolarHBondContact O-N 3.49Å
184Q93.3Very high90Very high105 Ų10559.8 Ų59.849%0.49131%0.314SS..EExtended strand (participates in β ladder)trans-119.9130.1-176.6-54.5-170.2-0.100111.5Q54 E182 F192 R193Q54-Q184 PolarHBondContact NE2-O 3.19Å; E182-Q184 PolarHBondContact OE1-NE2 3.24Å; Q184-F192 VanDerWaalsContact CA-O 3.23Å; Q184-F192 WeakPolarHBondContact CA-O 3.4Å; Q184-R193 HydrophobicContact CG-CG 4.08Å
185F92.6Very high90.1Very high11 Ų1157 Ų575%0.04830%0.304CS..EExtended strand (participates in β ladder)trans-149157.2178.258.7-87.3000111.1M49 H53 Q54 F192 M194 F332M49-F185 HydrophobicContact CB-CD1 3.99Å; M49-F185 HydrophobicContact CB-CE1 3.76Å; M49-F185 HydrophobicContact CB-CZ 4.16Å; M49-F185 HydrophobicContact CG-CD1 4.41Å; M49-F185 HydrophobicContact CG-CE1 3.68Å; M49-F185 HydrophobicContact CG-CZ 3.78Å; M49-F185 HydrophobicContact SD-CE1 4.05Å; M49-F185 HydrophobicContact SD-CE2 3.96Å; M49-F185 HydrophobicContact SD-CZ 3.49Å; M49-F185 WeakPolarHBondContact SD-CZ 3.47Å; H53-F185 HydrophobicContact CB-CB 3.93Å; H53-F185 HydrophobicContact CB-CD2 3.83Å; H53-F185 HydrophobicContact CB-CG 4.13Å; H53-F185 AromaticContact CD2-CD2 3.69Å; H53-F185 AromaticContact CD2-CE2 3.74Å; H53-F185 AromaticContact CG-CD2 3.85Å; Q54-F185 HydrophobicContact CG-CB 4.08Å; F185-F192 HydrophobicContact CD1-CB 4.25Å; F185-F192 HydrophobicContact CD2-CB 4.02Å; F185-F192 HydrophobicContact CD2-CD2 4.39Å; F185-F192 HydrophobicContact CD2-CG 4.45Å; F185-F192 HydrophobicContact CE1-CB 3.9Å; F185-F192 HydrophobicContact CE2-CB 3.66Å; F185-F192 AromaticContact CE2-CD2 3.99Å; F185-F192 HydrophobicContact CE2-CD2 3.99Å; F185-F192 AromaticContact CE2-CG 3.83Å; F185-F192 HydrophobicContact CE2-CG 3.83Å; F185-F192 HydrophobicContact CG-CB 4.31Å; F185-F192 HydrophobicContact CZ-CB 3.59Å; F185-F192 HydrophobicContact CZ-CG 4.02Å; F185-F192 PolarHBondContact N-O 2.89Å; F185-F192 VanDerWaalsContact N-O 3.08Å; F185-F192 PolarHBondContact O-N 2.78Å; F185-M194 HydrophobicContact CE1-CB 4.14Å; F185-M194 HydrophobicContact CE1-CE 4Å; F185-M194 HydrophobicContact CZ-CE 3.95Å; F185-F332 AromaticContact CE2-CE1 3.72Å; F185-F332 HydrophobicContact CE2-CE1 3.72Å; F185-F332 AromaticContact CE2-CZ 3.93Å; F185-F332 HydrophobicContact CE2-CZ 3.93Å; F185-F332 AromaticContact CZ-CE1 3.87Å; F185-F332 HydrophobicContact CZ-CE1 3.87Å; F185-F332 HydrophobicContact CZ-CE2 4.45Å; F185-F332 AromaticContact CZ-CZ 3.58Å; F185-F332 HydrophobicContact CZ-CZ 3.58Å
186G88.9Confident90.3Very high44 Ų4453.2 Ų53.245%0.45428%0.28SS..EExtended strand (participates in β ladder)trans-99.5139.8177.500000111.9L190G186-L190 WeakPolarHBondContact CA-O 3.31Å
187L86.1Confident90.5Very high25 Ų2547.9 Ų47.913%0.13126%0.257CS..EExtended strand (participates in β ladder)trans-151.4129.7172.5174.664.2000110.5D189 L190 F192 F332 T336L187-D189 VanDerWaalsContact C-N 3.34Å; L187-D189 PolarHBondContact O-N 3.34Å; L187-L190 PolarHBondContact N-O 3.15Å; L187-L190 WeakPolarHBondContact O-CB 3.31Å; L187-L190 PolarHBondContact O-N 3.46Å; L187-F192 HydrophobicContact CB-CD2 4.03Å; L187-F192 HydrophobicContact CB-CE2 3.76Å; L187-F192 HydrophobicContact CD2-CE2 4.33Å; L187-F192 HydrophobicContact CG-CE2 4.4Å; L187-F332 HydrophobicContact CD2-CD1 3.8Å; L187-F332 HydrophobicContact CD2-CE1 3.85Å; L187-T336 HydrophobicContact CD2-CG2 4.18Å; L187-T336 WeakPolarHBondContact CD2-OG1 3.47Å
188K77.8Confident90.7Very high100 Ų10046.8 Ų46.844%0.43525%0.251SS..THydrogen-bonded Turntrans44.952.6177.2-59.5-179.2-171.4176.40113L190 D333 T336 D337K188-L190 PolarHBondContact O-N 3.05Å; K188-L190 VanDerWaalsContact O-N 3.12Å; K188-D333 IonicContact NZ-OD1 2.7Å; K188-T336 HydrophobicContact CD-CG2 4.26Å; K188-D337 IonicContact NZ-OD1 2.97Å; K188-D337 PolarHBondContact NZ-OD1 2.8Å
189D81.2Confident90.7Very high160 Ų16042.7 Ų42.786%0.85623%0.227SC*.THydrogen-bonded Turntrans64.53.4-177.5-55.8-40.6000116.9L187L187-D189 VanDerWaalsContact C-N 3.34Å; L187-D189 PolarHBondContact O-N 3.34Å
190L85.3Confident90.6Very high30 Ų3043.6 Ų43.616%0.15723%0.227CC..EExtended strand (participates in β ladder)trans-98.4144.7173.6-62.2174000110.9V30 G186 L187 K188 F192 I340V30-L190 HydrophobicContact CG2-CB 4.48Å; V30-L190 HydrophobicContact CG2-CD1 4.15Å; V30-L190 HydrophobicContact CG2-CD2 4.49Å; G186-L190 WeakPolarHBondContact CA-O 3.31Å; L187-L190 PolarHBondContact N-O 3.15Å; L187-L190 WeakPolarHBondContact O-CB 3.31Å; L187-L190 PolarHBondContact O-N 3.46Å; K188-L190 PolarHBondContact O-N 3.05Å; K188-L190 VanDerWaalsContact O-N 3.12Å; L190-F192 HydrophobicContact CB-CD2 4.27Å; L190-F192 HydrophobicContact CB-CE2 3.68Å; L190-F192 HydrophobicContact CB-CZ 4.29Å; L190-F192 HydrophobicContact CD1-CE2 4.32Å; L190-F192 HydrophobicContact CD1-CZ 4.17Å; L190-I340 HydrophobicContact CD1-CD1 4.07Å; L190-I340 HydrophobicContact CD1-CG1 3.7Å
191N90.2Very high90.6Very high65 Ų6544.8 Ų44.835%0.34823%0.227SC..EExtended strand (participates in β ladder)trans-97.3122.2169.7-65.3-50.1000108.7R28 T29 V30R28-N191 PolarHBondContact O-N 3.24Å; T29-N191 CarbonylContact C-O 3.5Å; T29-N191 VanDerWaalsContact CA-O 3.26Å; T29-N191 WeakPolarHBondContact CA-O 3.43Å; V30-N191 PolarHBondContact N-O 2.94Å
192F92.9Very high90.4Very high1 Ų144.6 Ų44.60%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-98.6135176.9-72.6-94.2000110.2V30 L32 Q184 F185 L187 L190 F332 T336 I339V30-F192 HydrophobicContact CB-CD1 3.79Å; V30-F192 HydrophobicContact CB-CE1 3.84Å; V30-F192 HydrophobicContact CB-CG 4.42Å; V30-F192 HydrophobicContact CB-CZ 4.48Å; V30-F192 HydrophobicContact CG1-CD1 3.77Å; V30-F192 HydrophobicContact CG1-CE1 3.63Å; V30-F192 HydrophobicContact CG2-CE1 4.3Å; V30-F192 WeakPolarHBondContact O-CA 3.28Å; L32-F192 HydrophobicContact CD1-CD1 3.55Å; L32-F192 HydrophobicContact CD1-CE1 4.04Å; L32-F192 HydrophobicContact CG-CD1 3.94Å; L32-F192 HydrophobicContact CG-CE1 4.47Å; Q184-F192 VanDerWaalsContact CA-O 3.23Å; Q184-F192 WeakPolarHBondContact CA-O 3.4Å; F185-F192 HydrophobicContact CD1-CB 4.25Å; F185-F192 HydrophobicContact CD2-CB 4.02Å; F185-F192 HydrophobicContact CD2-CD2 4.39Å; F185-F192 HydrophobicContact CD2-CG 4.45Å; F185-F192 HydrophobicContact CE1-CB 3.9Å; F185-F192 HydrophobicContact CE2-CB 3.66Å; F185-F192 AromaticContact CE2-CD2 3.99Å; F185-F192 HydrophobicContact CE2-CD2 3.99Å; F185-F192 AromaticContact CE2-CG 3.83Å; F185-F192 HydrophobicContact CE2-CG 3.83Å; F185-F192 HydrophobicContact CG-CB 4.31Å; F185-F192 HydrophobicContact CZ-CB 3.59Å; F185-F192 HydrophobicContact CZ-CG 4.02Å; F185-F192 PolarHBondContact N-O 2.89Å; F185-F192 VanDerWaalsContact N-O 3.08Å; F185-F192 PolarHBondContact O-N 2.78Å; L187-F192 HydrophobicContact CB-CD2 4.03Å; L187-F192 HydrophobicContact CB-CE2 3.76Å; L187-F192 HydrophobicContact CD2-CE2 4.33Å; L187-F192 HydrophobicContact CG-CE2 4.4Å; L190-F192 HydrophobicContact CB-CD2 4.27Å; L190-F192 HydrophobicContact CB-CE2 3.68Å; L190-F192 HydrophobicContact CB-CZ 4.29Å; L190-F192 HydrophobicContact CD1-CE2 4.32Å; L190-F192 HydrophobicContact CD1-CZ 4.17Å; F192-F332 HydrophobicContact CD1-CZ 4.26Å; F192-F332 HydrophobicContact CE1-CE1 4.39Å; F192-F332 HydrophobicContact CE1-CZ 4.32Å; F192-T336 HydrophobicContact CZ-CG2 4.03Å; F192-I339 HydrophobicContact CE1-CD1 4.42Å
193R94.3Very high90.3Very high61 Ų6142.1 Ų42.123%0.2322%0.221CC..EExtended strand (participates in β ladder)trans-116.3107166.8-68178.867.5-177.6-0108T29 V30 K31 L32 E182 Q184 F195T29-R193 HydrophobicContact CG2-CB 4.26Å; T29-R193 HydrophobicContact CG2-CG 3.57Å; V30-R193 PolarHBondContact O-N 3.02Å; K31-R193 CarbonylContact C-O 3.58Å; K31-R193 WeakPolarHBondContact CA-O 3.5Å; K31-R193 HydrophobicContact CG-CB 4.44Å; L32-R193 PolarHBondContact N-O 3.32Å; E182-R193 VanDerWaalsContact CD-NH2 3.28Å; E182-R193 IonicContact OE1-CZ 3.91Å; E182-R193 VanDerWaalsContact OE1-CZ 3.22Å; E182-R193 IonicContact OE1-NE 2.77Å; E182-R193 PolarHBondContact OE1-NE 3.22Å; E182-R193 IonicContact OE1-NH2 2.86Å; E182-R193 PolarHBondContact OE1-NH2 3.09Å; E182-R193 IonicContact OE2-CZ 2.67Å; E182-R193 IonicContact OE2-NE 3.27Å; E182-R193 IonicContact OE2-NH2 3.06Å; E182-R193 PolarHBondContact OE2-NH2 2.85Å; Q184-R193 HydrophobicContact CG-CG 4.08Å; R193-F195 HydrophobicContact CB-CE2 4.06Å; R193-F195 HydrophobicContact CB-CZ 4.38Å
194M95Very high90.3Very high0 Ų043.5 Ų43.50%022%0.224CC..EExtended strand (participates in β ladder)trans-101.2127.8-178.7-173.7176-7300110.2L32 L34 I45 V46 M49 E182 T183 F185 F332L32-M194 HydrophobicContact CB-CB 4.48Å; L32-M194 HydrophobicContact CB-CG 4.42Å; L32-M194 HydrophobicContact CD1-CE 3.8Å; L32-M194 CarbonylContact O-C 3.42Å; L32-M194 WeakPolarHBondContact O-CA 3.45Å; L34-M194 HydrophobicContact CD1-CG 4.04Å; L34-M194 HydrophobicContact CD1-SD 3.72Å; L34-M194 HydrophobicContact CD2-CE 4.37Å; L34-M194 HydrophobicContact CD2-CG 4.15Å; L34-M194 HydrophobicContact CD2-SD 4.05Å; L34-M194 HydrophobicContact CG-CG 3.83Å; L34-M194 HydrophobicContact CG-SD 4.02Å; I45-M194 HydrophobicContact CG2-SD 4.5Å; V46-M194 HydrophobicContact CG2-SD 3.98Å; M49-M194 HydrophobicContact CG-CE 3.6Å; M49-M194 HydrophobicContact CG-SD 3.81Å; M49-M194 HydrophobicContact SD-CE 3.94Å; E182-M194 CarbonylContact C-O 3.58Å; E182-M194 WeakPolarHBondContact CA-O 3.43Å; T183-M194 PolarHBondContact N-O 3.36Å; T183-M194 PolarHBondContact O-N 3.49Å; F185-M194 HydrophobicContact CE1-CB 4.14Å; F185-M194 HydrophobicContact CE1-CE 4Å; F185-M194 HydrophobicContact CZ-CE 3.95Å; M194-F332 HydrophobicContact CE-CE2 3.64Å; M194-F332 HydrophobicContact CE-CZ 4.01Å
195F95.4Very high90.1Very high22 Ų2247.4 Ų47.410%0.09624%0.239CC..EExtended strand (participates in β ladder)trans-108.2112.9178.6-61.2-88.5000109.7K31 L32 L33 L34 I180 I181 E182 R193K31-F195 HydrophobicContact CB-CE2 4.28Å; K31-F195 HydrophobicContact CD-CE2 4.46Å; K31-F195 HydrophobicContact CG-CE2 4.31Å; L32-F195 PolarHBondContact O-N 3.08Å; L33-F195 HydrophobicContact CD1-CB 3.83Å; L34-F195 WeakPolarHBondContact CB-O 3.23Å; L34-F195 PolarHBondContact N-O 3.23Å; I180-F195 HydrophobicContact CG2-CD1 4.11Å; I181-F195 WeakPolarHBondContact O-CA 3.29Å; E182-F195 HydrophobicContact CB-CD1 4.19Å; E182-F195 HydrophobicContact CB-CE1 4.13Å; E182-F195 HydrophobicContact CG-CD1 4.11Å; E182-F195 HydrophobicContact CG-CE1 3.74Å; E182-F195 HydrophobicContact CG-CZ 4.16Å; E182-F195 VanDerWaalsContact OE2-CE1 3.31Å; E182-F195 WeakPolarHBondContact OE2-CE1 3.36Å; R193-F195 HydrophobicContact CB-CE2 4.06Å; R193-F195 HydrophobicContact CB-CZ 4.38Å
196D95.1Very high90Very high4 Ų450.5 Ų50.52%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-95.7127168.8-178.530.5000110L34 K42 S43 V46 I180 I181L34-D196 HydrophobicContact CD1-CB 4.38Å; K42-D196 WeakPolarHBondContact CB-OD1 3.08Å; S43-D196 WeakPolarHBondContact CA-OD2 3.49Å; S43-D196 WeakPolarHBondContact CB-OD2 3.4Å; S43-D196 PolarHBondContact OG-OD2 3.43Å; V46-D196 HydrophobicContact CG2-CB 3.65Å; I180-D196 WeakPolarHBondContact CA-O 3.47Å; I181-D196 PolarHBondContact N-O 3.46Å; I181-D196 PolarHBondContact O-N 2.98Å
197V94.3Very high90.1Very high0 Ų048.9 Ų48.90%023%0.233CC..EExtended strand (participates in β ladder)trans-122.6145.6-177.7-610000110.2L33 L34 L35 K42 I180 G199 W207L33-V197 HydrophobicContact CD1-CG1 4.3Å; L34-V197 WeakPolarHBondContact O-CG2 2.9Å; L35-V197 HydrophobicContact CD2-CG2 3.69Å; K42-V197 WeakPolarHBondContact CE-O 3.39Å; I180-V197 HydrophobicContact CB-CG1 4.43Å; I180-V197 HydrophobicContact CG1-CG1 3.9Å; I180-V197 HydrophobicContact CG2-CG1 4.26Å; V197-G199 PolarHBondContact O-N 2.94Å; V197-W207 HydrophobicContact CB-CG 4.48Å; V197-W207 VanDerWaalsContact CG2-CD1 3.49Å; V197-W207 HydrophobicContact CG2-CD2 4.12Å; V197-W207 HydrophobicContact CG2-CG 4.02Å; V197-W207 HydrophobicContact CG2-CZ2 4.27Å; V197-W207 VanDerWaalsContact CG2-NE1 3.26Å
198G92.4Very high90.1Very high2 Ų251.5 Ų51.52%0.02125%0.246CC..  trans-54.1126.7176.500000112.1G179 E203 W207G179-G198 PolarHBondContact O-N 3.46Å; G198-E203 WeakPolarHBondContact O-CB 3.36Å; G198-W207 PolarHBondContact O-NE1 2.74Å
199G89.2Confident90.6Very high7 Ų753.8 Ų53.87%0.07226%0.258CS..  trans-82.3-17.8-176.200000115.6G36 G38 V197 R204G36-G199 VanDerWaalsContact O-CA 3.31Å; G36-G199 WeakPolarHBondContact O-CA 3.41Å; G38-G199 PolarHBondContact N-O 3.12Å; V197-G199 PolarHBondContact O-N 2.94Å; G199-R204 PolarHBondContact O-NE 3.47Å; G199-R204 VanDerWaalsContact O-NE 3.15Å; G199-R204 PolarHBondContact O-NH2 2.93Å
200Q88.4Confident91Very high37 Ų3746.8 Ų46.817%0.17322%0.221CC..SBendtrans-69.9151.2-177-67.1-175.99.500111.2K176 S202 E203 R204 E232K176-Q200 VanDerWaalsContact CE-CD 3.44Å; Q200-S202 PolarHBondContact O-N 3.15Å; Q200-S202 VanDerWaalsContact O-N 3.12Å; Q200-E203 PolarHBondContact O-N 3.35Å; Q200-R204 WeakPolarHBondContact O-CG 3.44Å; Q200-R204 PolarHBondContact O-N 3.06Å; Q200-E232 WeakPolarHBondContact CB-OE1 3.4Å
201R90.7Very high91.1Very high92 Ų9246.3 Ų46.335%0.34722%0.218SC..THydrogen-bonded Turntrans-53.6-38.2-175.3-73.9-179.1171.8172-2112.6E203 R204 E232 D233 E241R201-E203 VanDerWaalsContact C-N 3.29Å; R201-E203 PolarHBondContact O-N 2.8Å; R201-R204 PolarHBondContact O-N 2.73Å; R201-E232 PolarHBondContact N-OE1 3.39Å; R201-D233 IonicContact CZ-OD2 3.67Å; R201-D233 IonicContact NH1-OD2 3.52Å; R201-D233 PolarHBondContact NH1-OD2 2.93Å; R201-E241 IonicContact CZ-OE2 3.61Å; R201-E241 IonicContact NE-OE1 2.62Å; R201-E241 PolarHBondContact NE-OE1 3.04Å; R201-E241 IonicContact NE-OE2 2.74Å; R201-E241 IonicContact NH2-OE1 2.82Å; R201-E241 IonicContact NH2-OE2 2.94Å; R201-E241 PolarHBondContact NH2-OE2 2.86Å
202S88.7Confident90.8Very high76 Ų7651.7 Ų51.753%0.53124%0.241SC..THydrogen-bonded Turntrans-64.3-28.8178.662.90000114.2Q200Q200-S202 PolarHBondContact O-N 3.15Å; Q200-S202 VanDerWaalsContact O-N 3.12Å
203E92.1Very high90.4Very high22 Ų2254.1 Ų54.110%0.10327%0.267CS..THydrogen-bonded Turntrans-88.2-19.4-174.9-64.3-59111.700112.6G179 G198 Q200 R201 K205 K206G179-E203 PolarHBondContact N-OE2 3.35Å; G198-E203 WeakPolarHBondContact O-CB 3.36Å; Q200-E203 PolarHBondContact O-N 3.35Å; R201-E203 VanDerWaalsContact C-N 3.29Å; R201-E203 PolarHBondContact O-N 2.8Å; E203-K205 PolarHBondContact O-N 3.12Å; E203-K205 VanDerWaalsContact O-N 3.15Å; E203-K206 WeakPolarHBondContact O-CB 3.4Å; E203-K206 PolarHBondContact O-N 2.82Å; E203-K206 IonicContact OE1-NZ 3.22Å; E203-K206 PolarHBondContact OE1-NZ 3.44Å; E203-K206 IonicContact OE2-NZ 2.76Å; E203-K206 PolarHBondContact OE2-NZ 2.82Å
204R91.6Very high90.3Very high50 Ų5051.9 Ų51.919%0.18926%0.26CS..G310 helixtrans-64.8-23.7-170.9-53.6-166.8-170.1150.12.7114.7G199 Q200 R201 K206 W207 E241G199-R204 PolarHBondContact O-NE 3.47Å; G199-R204 VanDerWaalsContact O-NE 3.15Å; G199-R204 PolarHBondContact O-NH2 2.93Å; Q200-R204 WeakPolarHBondContact O-CG 3.44Å; Q200-R204 PolarHBondContact O-N 3.06Å; R201-R204 PolarHBondContact O-N 2.73Å; R204-K206 PolarHBondContact O-N 2.88Å; R204-K206 VanDerWaalsContact O-N 3.15Å; R204-W207 HydrophobicContact CB-CD2 4.09Å; R204-W207 HydrophobicContact CB-CE3 4.46Å; R204-W207 HydrophobicContact CB-CG 4.49Å; R204-W207 HydrophobicContact CB-CZ2 4.31Å; R204-W207 HydrophobicContact CG-CD2 4.33Å; R204-W207 HydrophobicContact CG-CH2 4.04Å; R204-W207 HydrophobicContact CG-CZ2 3.64Å; R204-W207 WeakPolarHBondContact O-CB 3.3Å; R204-W207 VanDerWaalsContact O-CG 3.31Å; R204-W207 PolarHBondContact O-N 2.94Å; R204-W207 VanDerWaalsContact O-N 3.1Å; R204-E241 IonicContact CZ-OE1 2.75Å; R204-E241 IonicContact NH1-OE1 2.92Å; R204-E241 PolarHBondContact NH1-OE1 2.7Å; R204-E241 IonicContact NH2-OE1 3.83Å; R204-E241 PolarHBondContact NH2-OE1 3.23Å
205K89.1Confident90Very high187 Ų18753.8 Ų53.881%0.81327%0.271SS*.G310 helixtrans-59.4-25174.4-68.6-178-179.8177.40112.4E203E203-K205 PolarHBondContact O-N 3.12Å; E203-K205 VanDerWaalsContact O-N 3.15Å
206K91.2Very high89.8Confident76 Ų7652.8 Ų52.833%0.3327%0.267SS..G310 helixtrans-80.2-17-179.7-56.8174.3-173.2168.10112.9E203 R204 I208 H209E203-K206 WeakPolarHBondContact O-CB 3.4Å; E203-K206 PolarHBondContact O-N 2.82Å; E203-K206 IonicContact OE1-NZ 3.22Å; E203-K206 PolarHBondContact OE1-NZ 3.44Å; E203-K206 IonicContact OE2-NZ 2.76Å; E203-K206 PolarHBondContact OE2-NZ 2.82Å; R204-K206 PolarHBondContact O-N 2.88Å; R204-K206 VanDerWaalsContact O-N 3.15Å; K206-I208 VanDerWaalsContact C-N 3.27Å; K206-I208 PolarHBondContact O-N 3.23Å; K206-H209 WeakPolarHBondContact O-CB 3.33Å; K206-H209 PolarHBondContact O-CD2 2.83Å; K206-H209 PolarHBondContact O-N 3.02Å
207W91.8Very high89.8Confident10 Ų1052.6 Ų52.64%0.03827%0.266CS..G310 helixtrans-62.6-33.1-172.2-66.94.8000113.4L35 V197 G198 R204 H209 C210 F211 L245 I249L35-W207 HydrophobicContact CB-CZ3 4.5Å; L35-W207 HydrophobicContact CD2-CD2 3.84Å; L35-W207 HydrophobicContact CD2-CE3 3.65Å; L35-W207 HydrophobicContact CD2-CG 4.41Å; L35-W207 HydrophobicContact CD2-CH2 4.26Å; L35-W207 HydrophobicContact CD2-CZ2 4.43Å; L35-W207 HydrophobicContact CD2-CZ3 3.86Å; V197-W207 HydrophobicContact CB-CG 4.48Å; V197-W207 VanDerWaalsContact CG2-CD1 3.49Å; V197-W207 HydrophobicContact CG2-CD2 4.12Å; V197-W207 HydrophobicContact CG2-CG 4.02Å; V197-W207 HydrophobicContact CG2-CZ2 4.27Å; V197-W207 VanDerWaalsContact CG2-NE1 3.26Å; G198-W207 PolarHBondContact O-NE1 2.74Å; R204-W207 HydrophobicContact CB-CD2 4.09Å; R204-W207 HydrophobicContact CB-CE3 4.46Å; R204-W207 HydrophobicContact CB-CG 4.49Å; R204-W207 HydrophobicContact CB-CZ2 4.31Å; R204-W207 HydrophobicContact CG-CD2 4.33Å; R204-W207 HydrophobicContact CG-CH2 4.04Å; R204-W207 HydrophobicContact CG-CZ2 3.64Å; R204-W207 WeakPolarHBondContact O-CB 3.3Å; R204-W207 VanDerWaalsContact O-CG 3.31Å; R204-W207 PolarHBondContact O-N 2.94Å; R204-W207 VanDerWaalsContact O-N 3.1Å; W207-H209 PolarHBondContact O-N 3.45Å; W207-C210 PolarHBondContact O-N 3.4Å; W207-F211 HydrophobicContact CB-CE1 3.72Å; W207-F211 HydrophobicContact CB-CZ 4.04Å; W207-F211 WeakPolarHBondContact O-CD1 3.11Å; W207-F211 VanDerWaalsContact O-CE1 3.25Å; W207-F211 WeakPolarHBondContact O-CE1 3.43Å; W207-L245 HydrophobicContact CH2-CD1 3.87Å; W207-L245 HydrophobicContact CH2-CD2 3.83Å; W207-L245 HydrophobicContact CH2-CG 4.32Å; W207-L245 HydrophobicContact CZ3-CD1 3.71Å; W207-L245 HydrophobicContact CZ3-CD2 4.41Å; W207-L245 HydrophobicContact CZ3-CG 4.42Å; W207-I249 HydrophobicContact CE3-CD1 4.27Å; W207-I249 HydrophobicContact CZ3-CD1 4.12Å; W207-I249 HydrophobicContact CZ3-CG1 4.47Å
208I86.5Confident89.9Confident80 Ų8052.6 Ų52.641%0.4127%0.266SS..G310 helixtrans-56.5-26.9-179.5-168.859.9000112.7K206 C210 F211 Y254K206-I208 VanDerWaalsContact C-N 3.27Å; K206-I208 PolarHBondContact O-N 3.23Å; I208-C210 PolarHBondContact O-N 3.33Å; I208-F211 HydrophobicContact CD1-CB 4.41Å; I208-F211 HydrophobicContact CD1-CD2 3.6Å; I208-F211 HydrophobicContact CD1-CE2 4.17Å; I208-F211 HydrophobicContact CD1-CG 4.19Å; I208-F211 PolarHBondContact O-N 2.98Å; I208-Y254 HydrophobicContact CD1-CD2 3.93Å; I208-Y254 HydrophobicContact CD1-CE2 3.6Å
209H86.9Confident90.2Very high148 Ų14852.5 Ų52.569%0.68527%0.265SS*.G310 helixtrans-69.8-12.3177.7-58.1-57.9000113.7I180 K206 W207I180-H209 HydrophobicContact CD1-CB 4.06Å; K206-H209 WeakPolarHBondContact O-CB 3.33Å; K206-H209 PolarHBondContact O-CD2 2.83Å; K206-H209 PolarHBondContact O-N 3.02Å; W207-H209 PolarHBondContact O-N 3.45Å
210C89.8Confident90.6Very high12 Ų1252.1 Ų52.18%0.08126%0.262CS..G310 helixtrans-109.91.6179.7-54.10000113.2L33 I180 W207 I208 V214L33-C210 HydrophobicContact CD1-CB 3.66Å; L33-C210 HydrophobicContact CD2-CB 4.49Å; I180-C210 WeakPolarHBondContact CD1-SG 3.46Å; I180-C210 VanDerWaalsContact CG2-SG 3.5Å; W207-C210 PolarHBondContact O-N 3.4Å; I208-C210 PolarHBondContact O-N 3.33Å; C210-V214 WeakPolarHBondContact O-CG2 3.04Å
211F88Confident91.1Very high21 Ų2150.4 Ų50.49%0.09225%0.254CS..  trans-80.5-20.9-170.2-76.612.7000113.5L33 W207 I208 I249 Y254 F255L33-F211 HydrophobicContact CD2-CD1 3.65Å; L33-F211 HydrophobicContact CD2-CE1 3.77Å; W207-F211 HydrophobicContact CB-CE1 3.72Å; W207-F211 HydrophobicContact CB-CZ 4.04Å; W207-F211 WeakPolarHBondContact O-CD1 3.11Å; W207-F211 VanDerWaalsContact O-CE1 3.25Å; W207-F211 WeakPolarHBondContact O-CE1 3.43Å; I208-F211 HydrophobicContact CD1-CB 4.41Å; I208-F211 HydrophobicContact CD1-CD2 3.6Å; I208-F211 HydrophobicContact CD1-CE2 4.17Å; I208-F211 HydrophobicContact CD1-CG 4.19Å; I208-F211 PolarHBondContact O-N 2.98Å; F211-I249 HydrophobicContact CZ-CD1 4.3Å; F211-Y254 AromaticContact CD2-CD2 3.97Å; F211-Y254 HydrophobicContact CD2-CD2 3.97Å; F211-Y254 HydrophobicContact CD2-CG 4.43Å; F211-F255 HydrophobicContact CB-CE1 4.14Å; F211-F255 HydrophobicContact CB-CZ 4.03Å; F211-F255 HydrophobicContact CD1-CE1 4.29Å; F211-F255 HydrophobicContact CD1-CE2 4.24Å; F211-F255 AromaticContact CD1-CZ 3.43Å; F211-F255 HydrophobicContact CD1-CZ 3.43Å; F211-F255 VanDerWaalsContact CD1-CZ 3.43Å; F211-F255 HydrophobicContact CD2-CE1 4.24Å; F211-F255 AromaticContact CD2-CE2 3.85Å; F211-F255 HydrophobicContact CD2-CE2 3.85Å; F211-F255 AromaticContact CD2-CZ 3.48Å; F211-F255 HydrophobicContact CD2-CZ 3.48Å; F211-F255 VanDerWaalsContact CD2-CZ 3.48Å; F211-F255 AromaticContact CE1-CE2 3.96Å; F211-F255 HydrophobicContact CE1-CE2 3.96Å; F211-F255 AromaticContact CE1-CZ 3.57Å; F211-F255 HydrophobicContact CE1-CZ 3.57Å; F211-F255 AromaticContact CE2-CE2 3.57Å; F211-F255 HydrophobicContact CE2-CE2 3.57Å; F211-F255 AromaticContact CE2-CZ 3.65Å; F211-F255 HydrophobicContact CE2-CZ 3.65Å; F211-F255 AromaticContact CG-CE1 3.99Å; F211-F255 HydrophobicContact CG-CE1 3.99Å; F211-F255 HydrophobicContact CG-CE2 4.18Å; F211-F255 AromaticContact CG-CZ 3.37Å; F211-F255 HydrophobicContact CG-CZ 3.37Å; F211-F255 AromaticContact CZ-CE2 3.62Å; F211-F255 HydrophobicContact CZ-CE2 3.62Å; F211-F255 AromaticContact CZ-CZ 3.68Å; F211-F255 HydrophobicContact CZ-CZ 3.68Å
212E84.5Confident91.4Very high177 Ų17746.6 Ų46.683%0.82724%0.242SC*.THydrogen-bonded Turntrans-75.6127.5-176.3-171.5174.6-172.300112.1V214E212-V214 PolarHBondContact O-N 3.1Å
213G84.3Confident91.9Very high53 Ų5343 Ų4355%0.54622%0.216SC..THydrogen-bonded Turntrans67.720.7175.700000114.5K31 T215K31-G213 WeakPolarHBondContact CD-O 3.29Å; G213-T215 PolarHBondContact O-N 2.79Å
214V90.7Very high92.1Very high13 Ų1342 Ų428%0.07921%0.212CC..  trans-65.5123.2173.7175.40000109.5L33 C210 E212 C216 I217 T258L33-V214 HydrophobicContact CB-CG1 3.81Å; L33-V214 HydrophobicContact CB-CG2 4.01Å; L33-V214 HydrophobicContact CD2-CG2 4.09Å; C210-V214 WeakPolarHBondContact O-CG2 3.04Å; E212-V214 PolarHBondContact O-N 3.1Å; V214-C216 VanDerWaalsContact CG1-O 3.29Å; V214-C216 WeakPolarHBondContact CG1-O 3.43Å; V214-I217 HydrophobicContact CG1-CG1 4.04Å; V214-T258 HydrophobicContact CG1-CG2 4.13Å
215T89.8Confident92.3Very high40 Ų4040 Ų4025%0.24521%0.206CC..SBendtrans-74.8-46.5176.5-46.40000110.4V30 K31 G213 I339V30-T215 HydrophobicContact CG1-CG2 4.04Å; K31-T215 PolarHBondContact N-OG1 2.85Å; K31-T215 WeakPolarHBondContact O-CB 3.43Å; K31-T215 PolarHBondContact O-N 2.85Å; G213-T215 PolarHBondContact O-N 2.79Å; T215-I339 HydrophobicContact CG2-CG2 4.07Å
216C91.6Very high92.7Very high1 Ų131.1 Ų31.11%0.00717%0.168CC..EExtended strand (participates in β ladder)trans-147.5144-178.1-177.70000111K31 L32 L33 V214 I339K31-C216 PolarHBondContact O-N 2.79Å; L32-C216 WeakPolarHBondContact CA-O 3.1Å; L32-C216 HydrophobicContact CD2-CB 3.8Å; L33-C216 PolarHBondContact N-O 3.47Å; L33-C216 VanDerWaalsContact N-O 3.1Å; V214-C216 VanDerWaalsContact CG1-O 3.29Å; V214-C216 WeakPolarHBondContact CG1-O 3.43Å; C216-I339 HydrophobicContact CB-CD1 3.9Å; C216-I339 HydrophobicContact CB-CG1 4.03Å
217I94.8Very high92.9Very high0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-98.7132.4171.4-63.1169.3000108.5L33 L35 V214 I249 F255 T258 S259 I260 V261L33-I217 WeakPolarHBondContact O-CA 3.42Å; L35-I217 HydrophobicContact CB-CG2 4.39Å; L35-I217 HydrophobicContact CD1-CG2 3.9Å; L35-I217 HydrophobicContact CG-CG2 4.22Å; V214-I217 HydrophobicContact CG1-CG1 4.04Å; I217-I249 HydrophobicContact CD1-CG2 4.04Å; I217-I249 HydrophobicContact CG2-CG2 4.46Å; I217-F255 HydrophobicContact CD1-CB 4.05Å; I217-F255 HydrophobicContact CD1-CD1 3.61Å; I217-F255 HydrophobicContact CD1-CD2 3.59Å; I217-F255 HydrophobicContact CD1-CE1 3.79Å; I217-F255 HydrophobicContact CD1-CE2 3.77Å; I217-F255 HydrophobicContact CD1-CG 3.48Å; I217-F255 VanDerWaalsContact CD1-CG 3.48Å; I217-F255 HydrophobicContact CD1-CZ 3.84Å; I217-F255 HydrophobicContact CG1-CE1 4.49Å; I217-T258 HydrophobicContact CD1-CG2 4.13Å; I217-T258 HydrophobicContact CG1-CG2 3.97Å; I217-S259 PolarHBondContact N-O 3.44Å; I217-I260 HydrophobicContact CB-CG1 4.18Å; I217-I260 HydrophobicContact CD1-CD1 4.49Å; I217-I260 HydrophobicContact CD1-CG1 4.37Å; I217-I260 WeakPolarHBondContact O-CA 3.45Å; I217-V261 PolarHBondContact O-N 3.45Å
218I96.7Very high93Very high0 Ų028.4 Ų28.40%016%0.158CC..EExtended strand (participates in β ladder)trans-105.9103.6165.9-56.7176.6000106.8L32 L33 L34 L35 I220 V261 F263 F332 V335L32-I218 HydrophobicContact CD1-CD1 4.12Å; L33-I218 PolarHBondContact O-N 3.36Å; L34-I218 WeakPolarHBondContact CA-O 3.21Å; L34-I218 HydrophobicContact CD2-CB 3.66Å; L34-I218 HydrophobicContact CD2-CD1 3.96Å; L34-I218 HydrophobicContact CD2-CG1 4.26Å; L34-I218 HydrophobicContact CD2-CG2 4.1Å; L35-I218 PolarHBondContact N-O 3.09Å; I218-I220 HydrophobicContact CG2-CD1 4.33Å; I218-I220 HydrophobicContact CG2-CG1 4Å; I218-V261 CarbonylContact C-O 3.59Å; I218-V261 WeakPolarHBondContact CA-O 3.5Å; I218-F263 HydrophobicContact CG2-CD1 4.31Å; I218-F263 HydrophobicContact CG2-CD2 3.63Å; I218-F263 HydrophobicContact CG2-CE1 4.29Å; I218-F263 HydrophobicContact CG2-CE2 3.61Å; I218-F263 HydrophobicContact CG2-CG 3.99Å; I218-F263 HydrophobicContact CG2-CZ 3.94Å; I218-F332 HydrophobicContact CD1-CE2 4.11Å; I218-V335 HydrophobicContact CD1-CG1 4.47Å
219F98Very high93.4Very high0 Ų027.1 Ų27.10%015%0.153CC..EExtended strand (participates in β ladder)trans-89.4125175.2-168.8-84000109.8L35 A221 L245 F246 I260 V261 L262 F263 F303L35-F219 HydrophobicContact CB-CD2 3.98Å; L35-F219 CarbonylContact O-C 3.59Å; L35-F219 WeakPolarHBondContact O-CA 3.4Å; F219-A221 HydrophobicContact CE1-CB 4.2Å; F219-L245 HydrophobicContact CE2-CD2 4.1Å; F219-L245 HydrophobicContact CE2-CG 3.96Å; F219-L245 HydrophobicContact CZ-CB 4.33Å; F219-L245 HydrophobicContact CZ-CD2 4.08Å; F219-L245 HydrophobicContact CZ-CG 4.11Å; F219-F246 HydrophobicContact CB-CD2 4.07Å; F219-F246 HydrophobicContact CB-CE2 4.17Å; F219-F246 HydrophobicContact CD1-CB 4.41Å; F219-F246 AromaticContact CD1-CD2 3.57Å; F219-F246 HydrophobicContact CD1-CD2 3.57Å; F219-F246 HydrophobicContact CD1-CE2 4.33Å; F219-F246 HydrophobicContact CD1-CG 4.43Å; F219-F246 AromaticContact CD2-CD2 3.88Å; F219-F246 HydrophobicContact CD2-CD2 3.88Å; F219-F246 HydrophobicContact CE1-CB 3.83Å; F219-F246 AromaticContact CE1-CD2 3.87Å; F219-F246 HydrophobicContact CE1-CD2 3.87Å; F219-F246 HydrophobicContact CE1-CG 4.32Å; F219-F246 HydrophobicContact CE2-CB 4.06Å; F219-F246 HydrophobicContact CE2-CD2 4.16Å; F219-F246 AromaticContact CG-CD2 3.56Å; F219-F246 HydrophobicContact CG-CD2 3.56Å; F219-F246 HydrophobicContact CG-CE2 4.16Å; F219-F246 HydrophobicContact CZ-CB 3.63Å; F219-F246 HydrophobicContact CZ-CD2 4.16Å; F219-F246 HydrophobicContact CZ-CG 4.42Å; F219-I260 HydrophobicContact CB-CG2 4.29Å; F219-V261 PolarHBondContact N-O 2.65Å; F219-L262 HydrophobicContact CB-CD1 4.45Å; F219-L262 HydrophobicContact CD1-CD1 3.73Å; F219-L262 CarbonylContact O-C 3.58Å; F219-L262 WeakPolarHBondContact O-CA 3.22Å; F219-F263 PolarHBondContact O-N 3.22Å; F219-F303 AromaticContact CE1-CE1 3.99Å; F219-F303 HydrophobicContact CE1-CE1 3.99Å
220I98.3Very high93.7Very high0 Ų020.5 Ų20.50%012%0.123CC..EExtended strand (participates in β ladder)trans-113.8115.8-175.8-53.7174.9000109L34 L35 G36 S40 K42 I45 I218 F263 N265L34-I220 HydrophobicContact CD2-CD1 4.5Å; L35-I220 PolarHBondContact O-N 3.46Å; G36-I220 WeakPolarHBondContact CA-O 3.11Å; S40-I220 WeakPolarHBondContact CB-O 3.46Å; S40-I220 VanDerWaalsContact O-CG2 3.23Å; S40-I220 WeakPolarHBondContact O-CG2 3.45Å; S40-I220 PolarHBondContact OG-O 2.82Å; K42-I220 HydrophobicContact CB-CD1 4.28Å; K42-I220 HydrophobicContact CG-CB 4.37Å; K42-I220 HydrophobicContact CG-CD1 3.96Å; I45-I220 HydrophobicContact CB-CD1 4.25Å; I45-I220 HydrophobicContact CG1-CD1 3.72Å; I218-I220 HydrophobicContact CG2-CD1 4.33Å; I218-I220 HydrophobicContact CG2-CG1 4Å; I220-F263 WeakPolarHBondContact CA-O 3.33Å; I220-F263 HydrophobicContact CB-CB 4.47Å; I220-F263 HydrophobicContact CD1-CD2 4.35Å; I220-F263 HydrophobicContact CG1-CB 4.09Å; I220-F263 HydrophobicContact CG1-CD2 4.11Å; I220-F263 HydrophobicContact CG1-CG 4.49Å; I220-F263 HydrophobicContact CG2-CB 4.32Å; I220-N265 HydrophobicContact CG2-CB 3.8Å
221A98.4Very high93.6Very high1 Ų123.9 Ų23.91%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-110.8140.6173.700000110.1F219 L262 F263 L264 N265 F303F219-A221 HydrophobicContact CE1-CB 4.2Å; A221-L262 HydrophobicContact CB-CD1 4.43Å; A221-F263 PolarHBondContact N-O 2.98Å; A221-L264 HydrophobicContact CB-CD2 4.23Å; A221-N265 PolarHBondContact O-N 3.23Å; A221-F303 HydrophobicContact CB-CE1 4.02Å; A221-F303 HydrophobicContact CB-CE2 3.95Å; A221-F303 HydrophobicContact CB-CZ 3.48Å; A221-F303 VanDerWaalsContact CB-CZ 3.48Å
222A97.8Very high93.7Very high11 Ų1126.9 Ų26.99%0.09116%0.157CC..EExtended strand (participates in β ladder)trans-91.3115.517600000110S224 A225 M239 K266A222-S224 VanDerWaalsContact C-N 3.27Å; A222-S224 PolarHBondContact O-N 3.48Å; A222-A225 HydrophobicContact CB-CB 4.01Å; A222-A225 WeakPolarHBondContact O-CB 3.22Å; A222-A225 PolarHBondContact O-N 3.04Å; A222-M239 VanDerWaalsContact O-CE 3.26Å; A222-M239 WeakPolarHBondContact O-CE 3.43Å; A222-K266 HydrophobicContact CB-CD 3.89Å; A222-K266 HydrophobicContact CB-CG 4.43Å
223L97.9Very high94Very high0 Ų020.7 Ų20.70%013%0.13CC..G310 helixtrans-60.4-39.2175.3-73.4170.2000111.7A225 Y226 L264 N265 K267 F270 I299 M319L223-A225 PolarHBondContact O-N 3.08Å; L223-Y226 WeakPolarHBondContact O-CD1 3.42Å; L223-L264 HydrophobicContact CD1-CB 4.01Å; L223-L264 WeakPolarHBondContact CD1-O 3.24Å; L223-L264 HydrophobicContact CD2-CB 3.97Å; L223-L264 HydrophobicContact CD2-CD2 4.23Å; L223-L264 HydrophobicContact CD2-CG 4.47Å; L223-L264 HydrophobicContact CG-CB 3.9Å; L223-N265 WeakPolarHBondContact CB-O 3.36Å; L223-N265 PolarHBondContact N-O 2.97Å; L223-K267 HydrophobicContact CD1-CB 4.12Å; L223-F270 HydrophobicContact CB-CB 3.66Å; L223-F270 HydrophobicContact CB-CD1 4.21Å; L223-F270 HydrophobicContact CB-CD2 3.99Å; L223-F270 HydrophobicContact CB-CG 3.69Å; L223-F270 HydrophobicContact CD1-CD1 4.29Å; L223-F270 WeakPolarHBondContact O-CD2 3.49Å; L223-I299 HydrophobicContact CD2-CB 4.14Å; L223-I299 HydrophobicContact CD2-CD1 3.97Å; L223-I299 HydrophobicContact CD2-CG2 3.81Å; L223-M319 HydrophobicContact CD1-SD 3.82Å
224S96.3Very high94.3Very high1 Ų124.3 Ų24.31%0.00714%0.137CC..G310 helixtrans-69.7-1.2-177.163.10000115.3A222 K266 K273A222-S224 VanDerWaalsContact C-N 3.27Å; A222-S224 PolarHBondContact O-N 3.48Å; S224-K266 VanDerWaalsContact OG-CD 3.27Å; S224-K266 WeakPolarHBondContact OG-CD 3.37Å; S224-K273 PolarHBondContact O-NZ 3.3Å
225A96.3Very high94.4Very high9 Ų932.2 Ų32.27%0.07417%0.173CC..G310 helixtrans-93.11.2-174.200000114A222 L223 D227 M228 R238A222-A225 HydrophobicContact CB-CB 4.01Å; A222-A225 WeakPolarHBondContact O-CB 3.22Å; A222-A225 PolarHBondContact O-N 3.04Å; L223-A225 PolarHBondContact O-N 3.08Å; A225-D227 PolarHBondContact O-N 2.92Å; A225-M228 PolarHBondContact O-N 3.35Å; A225-R238 HydrophobicContact CB-CB 3.79Å
226Y97.1Very high94.6Very high0 Ų032 Ų320%017%0.172CC..THydrogen-bonded Turntrans-62.8-26.8-175.274.9-82.8000114.2L223 N237 F270 K273 I274 A277 L279 M281 C282L223-Y226 WeakPolarHBondContact O-CD1 3.42Å; Y226-N237 PolarHBondContact O-ND2 3.47Å; Y226-F270 AromaticContact CD1-CD2 3.89Å; Y226-F270 HydrophobicContact CD1-CD2 3.89Å; Y226-F270 AromaticContact CD1-CE2 3.8Å; Y226-F270 HydrophobicContact CD1-CE2 3.8Å; Y226-F270 AromaticContact CE1-CD2 3.8Å; Y226-F270 HydrophobicContact CE1-CD2 3.8Å; Y226-F270 AromaticContact CE1-CE2 3.77Å; Y226-F270 HydrophobicContact CE1-CE2 3.77Å; Y226-K273 HydrophobicContact CE1-CB 4.17Å; Y226-K273 VanDerWaalsContact OH-C 3.28Å; Y226-K273 PolarHBondContact OH-O 2.96Å; Y226-I274 HydrophobicContact CE2-CD1 4.38Å; Y226-I274 WeakPolarHBondContact OH-CA 3.45Å; Y226-I274 PolarHBondContact OH-N 2.91Å; Y226-A277 HydrophobicContact CE2-CB 4.41Å; Y226-A277 PolarHBondContact OH-O 3.24Å; Y226-L279 HydrophobicContact CD2-CD1 4Å; Y226-L279 HydrophobicContact CG-CD1 4.17Å; Y226-M281 HydrophobicContact CE2-CE 4.49Å; Y226-C282 HydrophobicContact CD2-CB 4.36Å; Y226-C282 VanDerWaalsContact O-CB 3.23Å; Y226-C282 WeakPolarHBondContact O-CB 3.5Å
227D95.6Very high94.8Very high22 Ų2233.3 Ų33.312%0.11818%0.178CC..THydrogen-bonded Turntrans-108.421.5-178.965.4-26.5000112.2S140 A225 K273 M281S140-D227 WeakPolarHBondContact CB-OD2 3.42Å; S140-D227 PolarHBondContact OG-OD2 2.93Å; A225-D227 PolarHBondContact O-N 2.92Å; D227-K273 WeakPolarHBondContact OD1-CE 3.29Å; D227-K273 IonicContact OD1-NZ 2.85Å; D227-K273 PolarHBondContact OD1-NZ 3.1Å; D227-K273 WeakPolarHBondContact OD2-CE 3.4Å; D227-K273 IonicContact OD2-NZ 3.53Å; D227-K273 PolarHBondContact OD2-NZ 3.39Å; D227-K273 VanDerWaalsContact OD2-NZ 3.16Å; D227-M281 HydrophobicContact CB-CE 3.37Å
228M94.7Very high94.9Very high8 Ų834.2 Ų34.24%0.03918%0.182CC..  trans-127.1151.5-177-62.6-178.278.400111.6A225 N237 R238A225-M228 PolarHBondContact O-N 3.35Å; M228-N237 WeakPolarHBondContact O-CA 3.23Å; M228-R238 HydrophobicContact CB-CG 4.18Å; M228-R238 WeakPolarHBondContact O-CG 3.48Å; M228-R238 PolarHBondContact O-N 2.82Å
229V94.9Very high95Very high52 Ų5234.2 Ų34.232%0.31518%0.182SC..BIsolated β-bridgetrans-102.9158.7173.6-59.50000111.7Q143 D234 V236 R238Q143-V229 PolarHBondContact NE2-O 3.28Å; V229-D234 WeakPolarHBondContact CB-O 3.38Å; V229-D234 WeakPolarHBondContact CG1-O 3.03Å; V229-D234 HydrophobicContact CG2-CB 4.24Å; V229-V236 CarbonylContact C-O 3.43Å; V229-V236 VanDerWaalsContact CA-O 3.29Å; V229-V236 WeakPolarHBondContact CA-O 3.45Å; V229-R238 VanDerWaalsContact C-CG 3.44Å; V229-R238 WeakPolarHBondContact O-CG 3.25Å; V229-R238 PolarHBondContact O-NE 2.93Å
230L92.6Very high95Very high9 Ų937.6 Ų37.65%0.04720%0.197CC..  trans-63.3153.2-179.7-67.8171.8000111.2Q143 E232 D233 V236 R238 E241Q143-L230 PolarHBondContact NE2-O 2.77Å; L230-E232 VanDerWaalsContact C-N 3.27Å; L230-D233 HydrophobicContact CB-CB 4.3Å; L230-D233 WeakPolarHBondContact CB-O 3.33Å; L230-D233 HydrophobicContact CD1-CB 4.38Å; L230-D233 PolarHBondContact N-O 2.8Å; L230-D233 CarbonylContact O-C 3.41Å; L230-V236 HydrophobicContact CD1-CB 3.92Å; L230-V236 HydrophobicContact CD1-CG1 3.65Å; L230-V236 HydrophobicContact CG-CB 4.43Å; L230-V236 HydrophobicContact CG-CG1 4.26Å; L230-V236 PolarHBondContact N-O 2.81Å; L230-R238 HydrophobicContact CD2-CB 4.47Å; L230-R238 HydrophobicContact CD2-CG 3.98Å; L230-R238 HydrophobicContact CG-CG 4.38Å; L230-E241 HydrophobicContact CD1-CB 3.97Å; L230-E241 HydrophobicContact CD1-CG 3.82Å; L230-E241 HydrophobicContact CD2-CB 4.17Å; L230-E241 HydrophobicContact CD2-CG 3.98Å; L230-E241 HydrophobicContact CG-CB 4.35Å; L230-E241 HydrophobicContact CG-CG 4.42Å
231V88.4Confident94.9Very high84 Ų8438.3 Ų38.351%0.50920%0.201SC..SBendtrans-69.2-36.2170.9-178.50000109.6Q143 D233Q143-V231 HydrophobicContact CG-CG2 4.25Å; Q143-V231 VanDerWaalsContact OE1-CG2 3.25Å; V231-D233 VanDerWaalsContact C-N 3.33Å
232E88.6Confident94.9Very high84 Ų8438.5 Ų38.539%0.39320%0.202SC..SBendtrans-77.4-15.7-177.7-55.7101.8125.100114.1Q200 R201 L230Q200-E232 WeakPolarHBondContact CB-OE1 3.4Å; R201-E232 PolarHBondContact N-OE1 3.39Å; L230-E232 VanDerWaalsContact C-N 3.27Å
233D91.1Very high94.9Very high46 Ų4638.8 Ų38.825%0.24620%0.202CC..  trans-164.2103.4-167-168.4-18.1000110.1R201 L230 V231 E235 V236R201-D233 IonicContact CZ-OD2 3.67Å; R201-D233 IonicContact NH1-OD2 3.52Å; R201-D233 PolarHBondContact NH1-OD2 2.93Å; L230-D233 HydrophobicContact CB-CB 4.3Å; L230-D233 WeakPolarHBondContact CB-O 3.33Å; L230-D233 HydrophobicContact CD1-CB 4.38Å; L230-D233 PolarHBondContact N-O 2.8Å; L230-D233 CarbonylContact O-C 3.41Å; V231-D233 VanDerWaalsContact C-N 3.33Å; D233-E235 PolarHBondContact O-N 3.19Å; D233-E235 PolarHBondContact OD1-N 3.26Å; D233-V236 HydrophobicContact CB-CB 4.3Å; D233-V236 HydrophobicContact CB-CG2 4.3Å; D233-V236 VanDerWaalsContact CG-CG2 3.47Å; D233-V236 PolarHBondContact O-N 3.49Å; D233-V236 VanDerWaalsContact OD2-CG2 3.22Å; D233-V236 WeakPolarHBondContact OD2-CG2 3.37Å
234D90.6Very high94.9Very high130 Ų13044.6 Ų44.670%0.69523%0.229SC*.THydrogen-bonded Turntrans-77.5-7-173.861.7-16.3000113.9V229V229-D234 WeakPolarHBondContact CB-O 3.38Å; V229-D234 WeakPolarHBondContact CG1-O 3.03Å; V229-D234 HydrophobicContact CG2-CB 4.24Å
235E92.2Very high95Very high179 Ų17945.1 Ų45.184%0.83623%0.231SC*.THydrogen-bonded Turntrans-89.6-14.2173.3-60.7-170.916100112.5D233D233-E235 PolarHBondContact O-N 3.19Å; D233-E235 PolarHBondContact OD1-N 3.26Å
236V94.6Very high95.1Very high36 Ų3644.7 Ų44.722%0.21823%0.228CC..SBendtrans-105.2116.3-173.9178.40000111.3V229 L230 D233 E241V229-V236 CarbonylContact C-O 3.43Å; V229-V236 VanDerWaalsContact CA-O 3.29Å; V229-V236 WeakPolarHBondContact CA-O 3.45Å; L230-V236 HydrophobicContact CD1-CB 3.92Å; L230-V236 HydrophobicContact CD1-CG1 3.65Å; L230-V236 HydrophobicContact CG-CB 4.43Å; L230-V236 HydrophobicContact CG-CG1 4.26Å; L230-V236 PolarHBondContact N-O 2.81Å; D233-V236 HydrophobicContact CB-CB 4.3Å; D233-V236 HydrophobicContact CB-CG2 4.3Å; D233-V236 VanDerWaalsContact CG-CG2 3.47Å; D233-V236 PolarHBondContact O-N 3.49Å; D233-V236 VanDerWaalsContact OD2-CG2 3.22Å; D233-V236 WeakPolarHBondContact OD2-CG2 3.37Å; V236-E241 HydrophobicContact CG1-CB 4.12Å
237N96.7Very high95.1Very high27 Ų2747.4 Ų47.414%0.14424%0.243CC..BIsolated β-bridgetrans-62.5133.8171.8-174.8-75.7000111.6Y226 M228 M239 H240 E241Y226-N237 PolarHBondContact O-ND2 3.47Å; M228-N237 WeakPolarHBondContact O-CA 3.23Å; N237-M239 VanDerWaalsContact C-N 3.34Å; N237-M239 PolarHBondContact O-N 3.22Å; N237-M239 WeakPolarHBondContact OD1-CA 3.33Å; N237-M239 VanDerWaalsContact OD1-CB 3.29Å; N237-M239 WeakPolarHBondContact OD1-CB 3.38Å; N237-M239 PolarHBondContact OD1-N 3.36Å; N237-H240 HydrophobicContact CB-CB 4.32Å; N237-H240 PolarHBondContact O-N 2.94Å; N237-H240 PolarHBondContact OD1-N 3.47Å; N237-E241 PolarHBondContact O-N 2.81Å
238R96.6Very high95.1Very high19 Ų1949.8 Ų49.87%0.07226%0.261CS..Hα-helixtrans-63.3-35.2-176.7-66.5-170.7175.5-159.2-5.8113.2E39 A225 M228 V229 L230 S242E39-R238 IonicContact OE1-NH2 3.81Å; E39-R238 IonicContact OE2-CZ 2.79Å; E39-R238 IonicContact OE2-NH1 3.56Å; E39-R238 PolarHBondContact OE2-NH1 2.82Å; E39-R238 IonicContact OE2-NH2 3.8Å; E39-R238 PolarHBondContact OE2-NH2 3.15Å; A225-R238 HydrophobicContact CB-CB 3.79Å; M228-R238 HydrophobicContact CB-CG 4.18Å; M228-R238 WeakPolarHBondContact O-CG 3.48Å; M228-R238 PolarHBondContact O-N 2.82Å; V229-R238 VanDerWaalsContact C-CG 3.44Å; V229-R238 WeakPolarHBondContact O-CG 3.25Å; V229-R238 PolarHBondContact O-NE 2.93Å; L230-R238 HydrophobicContact CD2-CB 4.47Å; L230-R238 HydrophobicContact CD2-CG 3.98Å; L230-R238 HydrophobicContact CG-CG 4.38Å; R238-S242 PolarHBondContact O-N 3.36Å
239M97.8Very high95.1Very high1 Ų149.9 Ų49.91%0.00526%0.261CS..Hα-helixtrans-69.7-42.6177.6-179.66272.500111.3A222 N237 S242 L243 F283 I299 F303A222-M239 VanDerWaalsContact O-CE 3.26Å; A222-M239 WeakPolarHBondContact O-CE 3.43Å; N237-M239 VanDerWaalsContact C-N 3.34Å; N237-M239 PolarHBondContact O-N 3.22Å; N237-M239 WeakPolarHBondContact OD1-CA 3.33Å; N237-M239 VanDerWaalsContact OD1-CB 3.29Å; N237-M239 WeakPolarHBondContact OD1-CB 3.38Å; N237-M239 PolarHBondContact OD1-N 3.36Å; M239-S242 WeakPolarHBondContact O-CB 3.48Å; M239-S242 PolarHBondContact O-N 3.45Å; M239-S242 VanDerWaalsContact O-N 3.12Å; M239-L243 HydrophobicContact CG-CD1 4.42Å; M239-L243 PolarHBondContact O-N 3.19Å; M239-F283 HydrophobicContact CG-CE2 4Å; M239-F283 HydrophobicContact CG-CZ 3.7Å; M239-I299 HydrophobicContact CE-CD1 4.18Å; M239-I299 HydrophobicContact CE-CG2 3.91Å; M239-I299 HydrophobicContact SD-CG2 4.01Å; M239-F303 HydrophobicContact SD-CE2 3.73Å; M239-F303 HydrophobicContact SD-CZ 4.03Å
240H97.8Very high95.2Very high71 Ų7147.5 Ų47.533%0.32925%0.247SC..Hα-helixtrans-62.7-42174-68.8-42.3000112.3N237 S242 L243 H244 C282N237-H240 HydrophobicContact CB-CB 4.32Å; N237-H240 PolarHBondContact O-N 2.94Å; N237-H240 PolarHBondContact OD1-N 3.47Å; H240-S242 VanDerWaalsContact C-N 3.27Å; H240-S242 PolarHBondContact O-N 2.87Å; H240-L243 PolarHBondContact O-N 2.62Å; H240-H244 PolarHBondContact O-CD2 3.42Å; H240-H244 PolarHBondContact O-N 3.18Å; H240-C282 PolarHBondContact CE1-O 3.21Å; H240-C282 PolarHBondContact NE2-O 3.34Å
241E97.1Very high95.3Very high14 Ų1448.7 Ų48.77%0.06525%0.253CS..Hα-helixtrans-57.5-41.7171.6175.467.7-175.800111.7R201 R204 L230 V236 N237 H244 L245R201-E241 IonicContact CZ-OE2 3.61Å; R201-E241 IonicContact NE-OE1 2.62Å; R201-E241 PolarHBondContact NE-OE1 3.04Å; R201-E241 IonicContact NE-OE2 2.74Å; R201-E241 IonicContact NH2-OE1 2.82Å; R201-E241 IonicContact NH2-OE2 2.94Å; R201-E241 PolarHBondContact NH2-OE2 2.86Å; R204-E241 IonicContact CZ-OE1 2.75Å; R204-E241 IonicContact NH1-OE1 2.92Å; R204-E241 PolarHBondContact NH1-OE1 2.7Å; R204-E241 IonicContact NH2-OE1 3.83Å; R204-E241 PolarHBondContact NH2-OE1 3.23Å; L230-E241 HydrophobicContact CD1-CB 3.97Å; L230-E241 HydrophobicContact CD1-CG 3.82Å; L230-E241 HydrophobicContact CD2-CB 4.17Å; L230-E241 HydrophobicContact CD2-CG 3.98Å; L230-E241 HydrophobicContact CG-CB 4.35Å; L230-E241 HydrophobicContact CG-CG 4.42Å; V236-E241 HydrophobicContact CG1-CB 4.12Å; N237-E241 PolarHBondContact O-N 2.81Å; E241-H244 PolarHBondContact O-N 3.31Å; E241-L245 VanDerWaalsContact O-CB 3.24Å; E241-L245 WeakPolarHBondContact O-CB 3.31Å; E241-L245 PolarHBondContact O-N 2.89Å
242S98.3Very high95.5Very high5 Ų547.4 Ų47.44%0.03524%0.242CC..Hα-helixtrans-63.9-43177.9-1600000112.2R238 M239 H240 L245 F246R238-S242 PolarHBondContact O-N 3.36Å; M239-S242 WeakPolarHBondContact O-CB 3.48Å; M239-S242 PolarHBondContact O-N 3.45Å; M239-S242 VanDerWaalsContact O-N 3.12Å; H240-S242 VanDerWaalsContact C-N 3.27Å; H240-S242 PolarHBondContact O-N 2.87Å; S242-L245 PolarHBondContact O-N 3.1Å; S242-F246 WeakPolarHBondContact O-CB 3.33Å; S242-F246 PolarHBondContact O-N 3.33Å
243L98.6Very high95.6Very high18 Ų1851.9 Ų51.99%0.09426%0.255CS..Hα-helixtrans-63.2-46.2174.8-73.4166000111.7M239 H240 L245 F246 N247 F283 Q302 F303 L306M239-L243 HydrophobicContact CG-CD1 4.42Å; M239-L243 PolarHBondContact O-N 3.19Å; H240-L243 PolarHBondContact O-N 2.62Å; L243-L245 VanDerWaalsContact C-N 3.32Å; L243-L245 PolarHBondContact O-N 3.15Å; L243-F246 PolarHBondContact O-N 3.28Å; L243-N247 WeakPolarHBondContact O-CB 3.43Å; L243-N247 PolarHBondContact O-N 3.18Å; L243-F283 HydrophobicContact CD1-CE1 3.76Å; L243-F283 HydrophobicContact CD1-CZ 3.88Å; L243-Q302 HydrophobicContact CD1-CB 4.48Å; L243-Q302 HydrophobicContact CD2-CB 3.98Å; L243-F303 HydrophobicContact CD2-CB 4.46Å; L243-F303 HydrophobicContact CD2-CD1 3.8Å; L243-F303 HydrophobicContact CD2-CD2 3.74Å; L243-F303 HydrophobicContact CD2-CE1 3.84Å; L243-F303 HydrophobicContact CD2-CE2 3.78Å; L243-F303 HydrophobicContact CD2-CG 3.74Å; L243-F303 HydrophobicContact CD2-CZ 3.82Å; L243-F303 HydrophobicContact CG-CE1 4.29Å; L243-F303 HydrophobicContact CG-CE2 4.25Å; L243-F303 HydrophobicContact CG-CZ 4.04Å; L243-L306 HydrophobicContact CB-CD1 4.11Å; L243-L306 HydrophobicContact CD2-CD1 3.73Å; L243-L306 WeakPolarHBondContact O-CD1 3.48Å
244H97.7Very high95.6Very high121 Ų12155.6 Ų55.656%0.5627%0.266SS*.Hα-helixtrans-60.2-42.9176.2-77.3-55.3000112.2H240 E241 S248H240-H244 PolarHBondContact O-CD2 3.42Å; H240-H244 PolarHBondContact O-N 3.18Å; E241-H244 PolarHBondContact O-N 3.31Å; H244-S248 PolarHBondContact O-N 3.37Å; H244-S248 VanDerWaalsContact O-N 3.11Å; H244-S248 PolarHBondContact O-OG 3.48Å
245L97.3Very high95.6Very high12 Ų1249.4 Ų49.46%0.06323%0.233CC..Hα-helixtrans-64.4-46.3176.3-179.163.7000111.2W207 F219 E241 S242 L243 N247 S248 I249W207-L245 HydrophobicContact CH2-CD1 3.87Å; W207-L245 HydrophobicContact CH2-CD2 3.83Å; W207-L245 HydrophobicContact CH2-CG 4.32Å; W207-L245 HydrophobicContact CZ3-CD1 3.71Å; W207-L245 HydrophobicContact CZ3-CD2 4.41Å; W207-L245 HydrophobicContact CZ3-CG 4.42Å; F219-L245 HydrophobicContact CE2-CD2 4.1Å; F219-L245 HydrophobicContact CE2-CG 3.96Å; F219-L245 HydrophobicContact CZ-CB 4.33Å; F219-L245 HydrophobicContact CZ-CD2 4.08Å; F219-L245 HydrophobicContact CZ-CG 4.11Å; E241-L245 VanDerWaalsContact O-CB 3.24Å; E241-L245 WeakPolarHBondContact O-CB 3.31Å; E241-L245 PolarHBondContact O-N 2.89Å; S242-L245 PolarHBondContact O-N 3.1Å; L243-L245 VanDerWaalsContact C-N 3.32Å; L243-L245 PolarHBondContact O-N 3.15Å; L245-N247 PolarHBondContact O-N 3.08Å; L245-S248 WeakPolarHBondContact O-CB 3.49Å; L245-S248 PolarHBondContact O-N 3.05Å; L245-I249 WeakPolarHBondContact O-CG1 3.47Å; L245-I249 PolarHBondContact O-N 3.45Å
246F98.2Very high95.4Very high0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-60.2-46.9177.3-178.2-98.7000111.5F219 S242 L243 S248 I249 C250 I260 L262 F303 L306 V315F219-F246 HydrophobicContact CB-CD2 4.07Å; F219-F246 HydrophobicContact CB-CE2 4.17Å; F219-F246 HydrophobicContact CD1-CB 4.41Å; F219-F246 AromaticContact CD1-CD2 3.57Å; F219-F246 HydrophobicContact CD1-CD2 3.57Å; F219-F246 HydrophobicContact CD1-CE2 4.33Å; F219-F246 HydrophobicContact CD1-CG 4.43Å; F219-F246 AromaticContact CD2-CD2 3.88Å; F219-F246 HydrophobicContact CD2-CD2 3.88Å; F219-F246 HydrophobicContact CE1-CB 3.83Å; F219-F246 AromaticContact CE1-CD2 3.87Å; F219-F246 HydrophobicContact CE1-CD2 3.87Å; F219-F246 HydrophobicContact CE1-CG 4.32Å; F219-F246 HydrophobicContact CE2-CB 4.06Å; F219-F246 HydrophobicContact CE2-CD2 4.16Å; F219-F246 AromaticContact CG-CD2 3.56Å; F219-F246 HydrophobicContact CG-CD2 3.56Å; F219-F246 HydrophobicContact CG-CE2 4.16Å; F219-F246 HydrophobicContact CZ-CB 3.63Å; F219-F246 HydrophobicContact CZ-CD2 4.16Å; F219-F246 HydrophobicContact CZ-CG 4.42Å; S242-F246 WeakPolarHBondContact O-CB 3.33Å; S242-F246 PolarHBondContact O-N 3.33Å; L243-F246 PolarHBondContact O-N 3.28Å; F246-S248 VanDerWaalsContact C-N 3.25Å; F246-S248 PolarHBondContact O-N 3.25Å; F246-I249 PolarHBondContact O-N 3.03Å; F246-I249 VanDerWaalsContact O-N 3.12Å; F246-C250 HydrophobicContact CD1-CB 4.17Å; F246-C250 HydrophobicContact CE1-CB 3.83Å; F246-C250 HydrophobicContact CZ-CB 4.06Å; F246-C250 WeakPolarHBondContact O-CB 3.25Å; F246-C250 PolarHBondContact O-N 2.71Å; F246-I260 HydrophobicContact CE2-CG2 3.94Å; F246-I260 HydrophobicContact CZ-CG2 4.45Å; F246-L262 HydrophobicContact CD2-CD1 4.42Å; F246-L262 HydrophobicContact CE2-CD1 4.28Å; F246-F303 HydrophobicContact CB-CD1 3.69Å; F246-F303 HydrophobicContact CB-CE1 3.71Å; F246-F303 AromaticContact CD1-CD1 3.83Å; F246-F303 HydrophobicContact CD1-CD1 3.83Å; F246-F303 HydrophobicContact CD2-CD1 4.09Å; F246-F303 WeakPolarHBondContact CE1-O 3.37Å; F246-F303 AromaticContact CG-CD1 3.59Å; F246-F303 HydrophobicContact CG-CD1 3.59Å; F246-F303 HydrophobicContact CG-CE1 4.11Å; F246-L306 HydrophobicContact CD1-CB 4.08Å; F246-L306 HydrophobicContact CD1-CD1 3.99Å; F246-L306 HydrophobicContact CE1-CB 4.33Å; F246-V315 HydrophobicContact CZ-CG1 4.05Å; F246-V315 HydrophobicContact CZ-CG2 4.4Å
247N97.9Very high94.8Very high58 Ų5846.5 Ų46.531%0.3124%0.235SC..Hα-helixtrans-53.8-45.3176.2-176.238.1000111.5L243 L245 I249 N251 L306L243-N247 WeakPolarHBondContact O-CB 3.43Å; L243-N247 PolarHBondContact O-N 3.18Å; L245-N247 PolarHBondContact O-N 3.08Å; N247-I249 PolarHBondContact O-N 3.37Å; N247-N251 WeakPolarHBondContact O-CB 3.44Å; N247-N251 PolarHBondContact O-N 3.1Å; N247-N251 PolarHBondContact O-ND2 3.12Å; N247-N251 VanDerWaalsContact O-ND2 3.1Å; N247-N251 PolarHBondContact OD1-ND2 3.39Å; N247-L306 HydrophobicContact CB-CB 4.35Å; N247-L306 HydrophobicContact CB-CD1 4.11Å; N247-L306 HydrophobicContact CB-CD2 4.13Å; N247-L306 HydrophobicContact CB-CG 4.43Å
248S95.9Very high94.4Very high72 Ų7246.2 Ų46.250%0.50323%0.234SC..Hα-helixtrans-64.6-37.5179.7-57.40000112.8H244 L245 F246 H252H244-S248 PolarHBondContact O-N 3.37Å; H244-S248 VanDerWaalsContact O-N 3.11Å; H244-S248 PolarHBondContact O-OG 3.48Å; L245-S248 WeakPolarHBondContact O-CB 3.49Å; L245-S248 PolarHBondContact O-N 3.05Å; F246-S248 VanDerWaalsContact C-N 3.25Å; F246-S248 PolarHBondContact O-N 3.25Å; S248-H252 WeakPolarHBondContact O-CB 3.18Å; S248-H252 PolarHBondContact O-N 2.93Å
249I95.2Very high94Very high9 Ų946 Ų465%0.04624%0.235CC..Hα-helixtrans-78.1-48.5178.7-65.8-57.7000111.4L35 W207 F211 I217 L245 F246 N247 N251 H252 F255 I260L35-I249 HydrophobicContact CD1-CD1 3.84Å; L35-I249 HydrophobicContact CD1-CG1 4.04Å; L35-I249 HydrophobicContact CD1-CG2 3.73Å; W207-I249 HydrophobicContact CE3-CD1 4.27Å; W207-I249 HydrophobicContact CZ3-CD1 4.12Å; W207-I249 HydrophobicContact CZ3-CG1 4.47Å; F211-I249 HydrophobicContact CZ-CD1 4.3Å; I217-I249 HydrophobicContact CD1-CG2 4.04Å; I217-I249 HydrophobicContact CG2-CG2 4.46Å; L245-I249 WeakPolarHBondContact O-CG1 3.47Å; L245-I249 PolarHBondContact O-N 3.45Å; F246-I249 PolarHBondContact O-N 3.03Å; F246-I249 VanDerWaalsContact O-N 3.12Å; N247-I249 PolarHBondContact O-N 3.37Å; I249-N251 PolarHBondContact O-N 3.28Å; I249-H252 WeakPolarHBondContact O-CB 3.49Å; I249-H252 PolarHBondContact O-N 3.37Å; I249-H252 VanDerWaalsContact O-N 3.09Å; I249-F255 HydrophobicContact CD1-CE2 4.31Å; I249-F255 HydrophobicContact CG2-CD2 4.05Å; I249-F255 HydrophobicContact CG2-CE2 4.21Å; I249-I260 HydrophobicContact CG2-CD1 4.49Å
250C95.6Very high93.8Very high2 Ų246 Ų461%0.01424%0.235CC..Hα-helixtrans-57.4-39.8-176.3-167.80000111.3F246 I260 K313F246-C250 HydrophobicContact CD1-CB 4.17Å; F246-C250 HydrophobicContact CE1-CB 3.83Å; F246-C250 HydrophobicContact CZ-CB 4.06Å; F246-C250 WeakPolarHBondContact O-CB 3.25Å; F246-C250 PolarHBondContact O-N 2.71Å; C250-I260 HydrophobicContact CB-CD1 4.16Å; C250-K313 PolarHBondContact O-NZ 3.47Å
251N94.6Very high93.8Very high34 Ų3442.6 Ų42.618%0.18222%0.22CC..THydrogen-bonded Turntrans-99.610.7-178-59-57.2000113.6N247 I249 L306 L308N247-N251 WeakPolarHBondContact O-CB 3.44Å; N247-N251 PolarHBondContact O-N 3.1Å; N247-N251 PolarHBondContact O-ND2 3.12Å; N247-N251 VanDerWaalsContact O-ND2 3.1Å; N247-N251 PolarHBondContact OD1-ND2 3.39Å; I249-N251 PolarHBondContact O-N 3.28Å; N251-L306 PolarHBondContact ND2-O 3.23Å; N251-L308 WeakPolarHBondContact OD1-CB 3.45Å; N251-L308 WeakPolarHBondContact OD1-CG 3.39Å; N251-L308 PolarHBondContact OD1-N 3.1Å
252H93.1Very high93.8Very high57 Ų5742 Ų4226%0.26422%0.216SC..  trans-69.2141.3-179.2-158.2-89.6000112S248 I249 Y254 F255 I256S248-H252 WeakPolarHBondContact O-CB 3.18Å; S248-H252 PolarHBondContact O-N 2.93Å; I249-H252 WeakPolarHBondContact O-CB 3.49Å; I249-H252 PolarHBondContact O-N 3.37Å; I249-H252 VanDerWaalsContact O-N 3.09Å; H252-Y254 VanDerWaalsContact C-N 3.26Å; H252-Y254 AromaticContact CE1-CD2 3.23Å; H252-Y254 WeakPolarHBondContact CE1-CD2 3.12Å; H252-Y254 AromaticContact CE1-CE2 3.85Å; H252-Y254 AromaticContact ND1-CD2 3.48Å; H252-Y254 WeakPolarHBondContact ND1-CD2 3.35Å; H252-Y254 AromaticContact ND1-CG 3.99Å; H252-Y254 PolarHBondContact ND1-N 3.46Å; H252-Y254 PolarHBondContact O-N 3.14Å; H252-F255 HydrophobicContact CB-CD2 3.75Å; H252-F255 HydrophobicContact CB-CE2 4.49Å; H252-F255 HydrophobicContact CB-CG 4.46Å; H252-F255 CarbonylContact O-C 3.58Å; H252-F255 PolarHBondContact O-N 3Å; H252-I256 PolarHBondContact O-N 2.87Å
253R90.9Very high93.8Very high179 Ų17941.9 Ų41.968%0.67522%0.216SC*.G310 helixtrans-59.3-30.9-179.867.7178.2179.3-175.2-1.2114.8F255 I256R253-F255 VanDerWaalsContact C-N 3.25Å; R253-F255 PolarHBondContact O-N 3.36Å; R253-I256 WeakPolarHBondContact O-CD1 3.34Å; R253-I256 WeakPolarHBondContact O-CG1 3.4Å
254Y90.2Very high93.8Very high123 Ų12341.1 Ų41.148%0.48221%0.211SC..G310 helixtrans-74-16.7176.6-71.2-65.1000112.9I208 F211 H252I208-Y254 HydrophobicContact CD1-CD2 3.93Å; I208-Y254 HydrophobicContact CD1-CE2 3.6Å; F211-Y254 AromaticContact CD2-CD2 3.97Å; F211-Y254 HydrophobicContact CD2-CD2 3.97Å; F211-Y254 HydrophobicContact CD2-CG 4.43Å; H252-Y254 VanDerWaalsContact C-N 3.26Å; H252-Y254 AromaticContact CE1-CD2 3.23Å; H252-Y254 WeakPolarHBondContact CE1-CD2 3.12Å; H252-Y254 AromaticContact CE1-CE2 3.85Å; H252-Y254 AromaticContact ND1-CD2 3.48Å; H252-Y254 WeakPolarHBondContact ND1-CD2 3.35Å; H252-Y254 AromaticContact ND1-CG 3.99Å; H252-Y254 PolarHBondContact ND1-N 3.46Å; H252-Y254 PolarHBondContact O-N 3.14Å
255F90.9Very high93.8Very high0 Ų035.6 Ų35.60%019%0.186CC..G310 helixtrans-119.623.2-171.8-55.9-43.9000113.1L33 F211 I217 I249 H252 R253 A257 T258 K313L33-F255 HydrophobicContact CD2-CZ 4.16Å; F211-F255 HydrophobicContact CB-CE1 4.14Å; F211-F255 HydrophobicContact CB-CZ 4.03Å; F211-F255 HydrophobicContact CD1-CE1 4.29Å; F211-F255 HydrophobicContact CD1-CE2 4.24Å; F211-F255 AromaticContact CD1-CZ 3.43Å; F211-F255 HydrophobicContact CD1-CZ 3.43Å; F211-F255 VanDerWaalsContact CD1-CZ 3.43Å; F211-F255 HydrophobicContact CD2-CE1 4.24Å; F211-F255 AromaticContact CD2-CE2 3.85Å; F211-F255 HydrophobicContact CD2-CE2 3.85Å; F211-F255 AromaticContact CD2-CZ 3.48Å; F211-F255 HydrophobicContact CD2-CZ 3.48Å; F211-F255 VanDerWaalsContact CD2-CZ 3.48Å; F211-F255 AromaticContact CE1-CE2 3.96Å; F211-F255 HydrophobicContact CE1-CE2 3.96Å; F211-F255 AromaticContact CE1-CZ 3.57Å; F211-F255 HydrophobicContact CE1-CZ 3.57Å; F211-F255 AromaticContact CE2-CE2 3.57Å; F211-F255 HydrophobicContact CE2-CE2 3.57Å; F211-F255 AromaticContact CE2-CZ 3.65Å; F211-F255 HydrophobicContact CE2-CZ 3.65Å; F211-F255 AromaticContact CG-CE1 3.99Å; F211-F255 HydrophobicContact CG-CE1 3.99Å; F211-F255 HydrophobicContact CG-CE2 4.18Å; F211-F255 AromaticContact CG-CZ 3.37Å; F211-F255 HydrophobicContact CG-CZ 3.37Å; F211-F255 AromaticContact CZ-CE2 3.62Å; F211-F255 HydrophobicContact CZ-CE2 3.62Å; F211-F255 AromaticContact CZ-CZ 3.68Å; F211-F255 HydrophobicContact CZ-CZ 3.68Å; I217-F255 HydrophobicContact CD1-CB 4.05Å; I217-F255 HydrophobicContact CD1-CD1 3.61Å; I217-F255 HydrophobicContact CD1-CD2 3.59Å; I217-F255 HydrophobicContact CD1-CE1 3.79Å; I217-F255 HydrophobicContact CD1-CE2 3.77Å; I217-F255 HydrophobicContact CD1-CG 3.48Å; I217-F255 VanDerWaalsContact CD1-CG 3.48Å; I217-F255 HydrophobicContact CD1-CZ 3.84Å; I217-F255 HydrophobicContact CG1-CE1 4.49Å; I249-F255 HydrophobicContact CD1-CE2 4.31Å; I249-F255 HydrophobicContact CG2-CD2 4.05Å; I249-F255 HydrophobicContact CG2-CE2 4.21Å; H252-F255 HydrophobicContact CB-CD2 3.75Å; H252-F255 HydrophobicContact CB-CE2 4.49Å; H252-F255 HydrophobicContact CB-CG 4.46Å; H252-F255 CarbonylContact O-C 3.58Å; H252-F255 PolarHBondContact O-N 3Å; R253-F255 VanDerWaalsContact C-N 3.25Å; R253-F255 PolarHBondContact O-N 3.36Å; F255-A257 VanDerWaalsContact C-N 3.29Å; F255-A257 PolarHBondContact O-N 3Å; F255-T258 HydrophobicContact CD1-CG2 4.32Å; F255-T258 PolarHBondContact O-N 3.31Å; F255-K313 PolarHBondContact O-NZ 2.9Å
256I87.8Confident93.8Very high63 Ų6336.2 Ų36.232%0.32319%0.188SC..SBendtrans-55.6-45.7-177.2-72.4173.4000111.6H252 R253 R309 I312H252-I256 PolarHBondContact O-N 2.87Å; R253-I256 WeakPolarHBondContact O-CD1 3.34Å; R253-I256 WeakPolarHBondContact O-CG1 3.4Å; I256-R309 VanDerWaalsContact CG1-NH1 3.33Å; I256-I312 HydrophobicContact CG2-CD1 4.47Å
257A82.9Confident93.7Very high92 Ų9238.7 Ų38.776%0.7620%0.199SC*.SBendtrans-108.65.1-179.800000112.7F255F255-A257 VanDerWaalsContact C-N 3.29Å; F255-A257 PolarHBondContact O-N 3Å
258T89.1Confident93.6Very high21 Ų2138.6 Ų38.613%0.12920%0.198CC..  trans-83.1123.3179-520000109.2V214 I217 F255 K313V214-T258 HydrophobicContact CG1-CG2 4.13Å; I217-T258 HydrophobicContact CD1-CG2 4.13Å; I217-T258 HydrophobicContact CG1-CG2 3.97Å; F255-T258 HydrophobicContact CD1-CG2 4.32Å; F255-T258 PolarHBondContact O-N 3.31Å; T258-K313 WeakPolarHBondContact O-CE 3.38Å; T258-K313 PolarHBondContact O-NZ 3.01Å
259S87.7Confident93.6Very high15 Ų1537 Ų3711%0.10519%0.185CC..EExtended strand (participates in β ladder)trans-64.7145.3178.9-520000111.6I217 E342I217-S259 PolarHBondContact N-O 3.44Å; S259-E342 WeakPolarHBondContact CB-OE2 3.39Å; S259-E342 PolarHBondContact OG-OE1 3.33Å; S259-E342 PolarHBondContact OG-OE2 3.22Å
260I94.1Very high93.6Very high0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-124.7126-179.6-59.8-173.1000109.1I217 F219 F246 I249 C250 K313 V315 Y316I217-I260 HydrophobicContact CB-CG1 4.18Å; I217-I260 HydrophobicContact CD1-CD1 4.49Å; I217-I260 HydrophobicContact CD1-CG1 4.37Å; I217-I260 WeakPolarHBondContact O-CA 3.45Å; F219-I260 HydrophobicContact CB-CG2 4.29Å; F246-I260 HydrophobicContact CE2-CG2 3.94Å; F246-I260 HydrophobicContact CZ-CG2 4.45Å; I249-I260 HydrophobicContact CG2-CD1 4.49Å; C250-I260 HydrophobicContact CB-CD1 4.16Å; I260-K313 VanDerWaalsContact CD1-CE 3.41Å; I260-K313 VanDerWaalsContact CG1-CE 3.49Å; I260-V315 HydrophobicContact CB-CG2 4.37Å; I260-V315 HydrophobicContact CG2-CG1 4.31Å; I260-V315 WeakPolarHBondContact O-CA 3.13Å; I260-Y316 PolarHBondContact O-N 3.15Å
261V96.1Very high93.7Very high0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-101.6124.8163.7-174.50000108.2I217 I218 F219 F263 Y316 V335I217-V261 PolarHBondContact O-N 3.45Å; I218-V261 CarbonylContact C-O 3.59Å; I218-V261 WeakPolarHBondContact CA-O 3.5Å; F219-V261 PolarHBondContact N-O 2.65Å; V261-F263 HydrophobicContact CG1-CD1 3.82Å; V261-F263 HydrophobicContact CG1-CE1 3.48Å; V261-F263 VanDerWaalsContact CG1-CE1 3.48Å; V261-F263 HydrophobicContact CG1-CZ 4.46Å; V261-Y316 CarbonylContact C-O 3.54Å; V261-Y316 VanDerWaalsContact CA-O 3.31Å; V261-Y316 WeakPolarHBondContact CA-O 3.49Å; V261-V335 HydrophobicContact CB-CG2 4.4Å; V261-V335 HydrophobicContact CG1-CG2 3.82Å; V261-V335 HydrophobicContact CG2-CG1 4.22Å; V261-V335 HydrophobicContact CG2-CG2 4.12Å
262L97.8Very high93.6Very high0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-97.9115.7175.5175.464.2000110F219 A221 F246 L264 F303 V315 Y316 S317 H318F219-L262 HydrophobicContact CB-CD1 4.45Å; F219-L262 HydrophobicContact CD1-CD1 3.73Å; F219-L262 CarbonylContact O-C 3.58Å; F219-L262 WeakPolarHBondContact O-CA 3.22Å; A221-L262 HydrophobicContact CB-CD1 4.43Å; F246-L262 HydrophobicContact CD2-CD1 4.42Å; F246-L262 HydrophobicContact CE2-CD1 4.28Å; L262-L264 HydrophobicContact CD1-CD2 4.32Å; L262-L264 HydrophobicContact CD2-CD2 4.11Å; L262-L264 HydrophobicContact CD2-CG 4.28Å; L262-L264 HydrophobicContact CG-CD2 4.18Å; L262-L264 HydrophobicContact CG-CG 4.2Å; L262-F303 HydrophobicContact CD1-CD1 4.18Å; L262-F303 HydrophobicContact CD1-CG 4.37Å; L262-F303 HydrophobicContact CD2-CB 3.42Å; L262-F303 VanDerWaalsContact CD2-CB 3.42Å; L262-F303 HydrophobicContact CD2-CD1 4.39Å; L262-F303 HydrophobicContact CD2-CD2 4.48Å; L262-F303 HydrophobicContact CD2-CG 3.88Å; L262-V315 HydrophobicContact CB-CG1 4.02Å; L262-Y316 PolarHBondContact N-O 2.91Å; L262-S317 CarbonylContact O-C 3.57Å; L262-S317 VanDerWaalsContact O-CA 3.31Å; L262-S317 WeakPolarHBondContact O-CA 3.43Å; L262-H318 PolarHBondContact O-N 3.39Å
263F98.4Very high93.7Very high4 Ų440.8 Ų40.82%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-95.4115.7167.7-71.4-2.8000109.9I45 I218 F219 I220 A221 V261 N265 H318 T320 V331 V335I45-F263 HydrophobicContact CD1-CD2 4.29Å; I45-F263 HydrophobicContact CD1-CE2 4.25Å; I45-F263 HydrophobicContact CG1-CD2 4.42Å; I218-F263 HydrophobicContact CG2-CD1 4.31Å; I218-F263 HydrophobicContact CG2-CD2 3.63Å; I218-F263 HydrophobicContact CG2-CE1 4.29Å; I218-F263 HydrophobicContact CG2-CE2 3.61Å; I218-F263 HydrophobicContact CG2-CG 3.99Å; I218-F263 HydrophobicContact CG2-CZ 3.94Å; F219-F263 PolarHBondContact O-N 3.22Å; I220-F263 WeakPolarHBondContact CA-O 3.33Å; I220-F263 HydrophobicContact CB-CB 4.47Å; I220-F263 HydrophobicContact CD1-CD2 4.35Å; I220-F263 HydrophobicContact CG1-CB 4.09Å; I220-F263 HydrophobicContact CG1-CD2 4.11Å; I220-F263 HydrophobicContact CG1-CG 4.49Å; I220-F263 HydrophobicContact CG2-CB 4.32Å; A221-F263 PolarHBondContact N-O 2.98Å; V261-F263 HydrophobicContact CG1-CD1 3.82Å; V261-F263 HydrophobicContact CG1-CE1 3.48Å; V261-F263 VanDerWaalsContact CG1-CE1 3.48Å; V261-F263 HydrophobicContact CG1-CZ 4.46Å; F263-N265 PolarHBondContact O-N 2.5Å; F263-H318 HydrophobicContact CD1-CB 4.21Å; F263-H318 HydrophobicContact CE1-CB 4.44Å; F263-T320 HydrophobicContact CB-CG2 4.09Å; F263-T320 HydrophobicContact CD1-CG2 3.94Å; F263-T320 HydrophobicContact CD2-CG2 4.26Å; F263-T320 HydrophobicContact CE1-CG2 4.45Å; F263-T320 HydrophobicContact CG-CG2 3.85Å; F263-V331 HydrophobicContact CD1-CG1 4.01Å; F263-V331 HydrophobicContact CE1-CG1 3.18Å; F263-V331 HydrophobicContact CE2-CG1 4.36Å; F263-V331 HydrophobicContact CZ-CG1 3.41Å; F263-V331 VanDerWaalsContact CZ-CG1 3.41Å; F263-V335 HydrophobicContact CE1-CG2 4.02Å; F263-V335 HydrophobicContact CZ-CG2 4.04Å
264L98.4Very high94Very high1 Ų132.4 Ų32.41%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-90.984.5169.2-65.1173.6000107.4A221 L223 L262 I299 K300 F303 H318 M319 T320A221-L264 HydrophobicContact CB-CD2 4.23Å; L223-L264 HydrophobicContact CD1-CB 4.01Å; L223-L264 WeakPolarHBondContact CD1-O 3.24Å; L223-L264 HydrophobicContact CD2-CB 3.97Å; L223-L264 HydrophobicContact CD2-CD2 4.23Å; L223-L264 HydrophobicContact CD2-CG 4.47Å; L223-L264 HydrophobicContact CG-CB 3.9Å; L262-L264 HydrophobicContact CD1-CD2 4.32Å; L262-L264 HydrophobicContact CD2-CD2 4.11Å; L262-L264 HydrophobicContact CD2-CG 4.28Å; L262-L264 HydrophobicContact CG-CD2 4.18Å; L262-L264 HydrophobicContact CG-CG 4.2Å; L264-I299 HydrophobicContact CD2-CG2 4.38Å; L264-K300 HydrophobicContact CD1-CB 3.48Å; L264-K300 VanDerWaalsContact CD1-CB 3.48Å; L264-K300 HydrophobicContact CD1-CD 4.43Å; L264-K300 HydrophobicContact CD1-CG 3.97Å; L264-F303 HydrophobicContact CD2-CD2 3.92Å; L264-F303 HydrophobicContact CD2-CE2 4.1Å; L264-H318 PolarHBondContact N-O 2.97Å; L264-M319 HydrophobicContact CB-SD 3.54Å; L264-M319 VanDerWaalsContact CB-SD 3.54Å; L264-M319 HydrophobicContact CD1-CE 3.64Å; L264-M319 HydrophobicContact CD1-SD 3.58Å; L264-M319 VanDerWaalsContact CD1-SD 3.58Å; L264-M319 HydrophobicContact CG-SD 4.21Å; L264-T320 PolarHBondContact O-N 3.47Å
265N98.3Very high94.2Very high5 Ų533 Ų333%0.02718%0.178CC..EExtended strand (participates in β ladder)trans-84.1167.9-169.6-169.532.6000112.7S40 I220 A221 L223 F263 K267 T320 A322S40-N265 PolarHBondContact O-ND2 3.39Å; I220-N265 HydrophobicContact CG2-CB 3.8Å; A221-N265 PolarHBondContact O-N 3.23Å; L223-N265 WeakPolarHBondContact CB-O 3.36Å; L223-N265 PolarHBondContact N-O 2.97Å; F263-N265 PolarHBondContact O-N 2.5Å; N265-K267 VanDerWaalsContact C-N 3.31Å; N265-T320 CarbonylContact C-O 3.55Å; N265-T320 WeakPolarHBondContact CA-O 3.23Å; N265-T320 VanDerWaalsContact CA-OG1 3.25Å; N265-T320 WeakPolarHBondContact CA-OG1 3.29Å; N265-T320 WeakPolarHBondContact CB-OG1 3.37Å; N265-T320 PolarHBondContact OD1-O 3.39Å; N265-T320 PolarHBondContact OD1-OG1 3.31Å; N265-A322 WeakPolarHBondContact OD1-CB 3.33Å; N265-A322 PolarHBondContact OD1-N 3.04Å
266K97.1Very high94.3Very high25 Ų2540 Ų4011%0.10921%0.208CC..  trans62.837.6-179.1-48.5-175.3-177.4179.80112.4E39 D146 A222 S224 D268 V269 F270 T320E39-K266 WeakPolarHBondContact O-CE 3.47Å; E39-K266 PolarHBondContact O-NZ 3.01Å; D146-K266 WeakPolarHBondContact OD2-CD 3.41Å; D146-K266 WeakPolarHBondContact OD2-CE 3.33Å; D146-K266 IonicContact OD2-NZ 3.82Å; D146-K266 PolarHBondContact OD2-NZ 3.07Å; A222-K266 HydrophobicContact CB-CD 3.89Å; A222-K266 HydrophobicContact CB-CG 4.43Å; S224-K266 VanDerWaalsContact OG-CD 3.27Å; S224-K266 WeakPolarHBondContact OG-CD 3.37Å; K266-D268 VanDerWaalsContact C-OD1 3.29Å; K266-D268 WeakPolarHBondContact CA-OD1 3.43Å; K266-D268 PolarHBondContact O-N 3.29Å; K266-V269 HydrophobicContact CB-CB 4.3Å; K266-V269 HydrophobicContact CB-CG2 4.39Å; K266-V269 PolarHBondContact O-N 2.83Å; K266-F270 WeakPolarHBondContact O-CB 3.31Å; K266-F270 PolarHBondContact O-N 3.33Å; K266-T320 PolarHBondContact N-O 2.99Å; K266-T320 VanDerWaalsContact N-O 3.1Å
267K96.6Very high94.6Very high52 Ų5237.8 Ų37.823%0.22620%0.2CC..Hα-helixtrans-58.4-32177.274.4179-177.2179.90112.3L223 N265 T271 Y292 M319 T320 C321 N327L223-K267 HydrophobicContact CD1-CB 4.12Å; N265-K267 VanDerWaalsContact C-N 3.31Å; K267-T271 WeakPolarHBondContact O-CB 3.29Å; K267-T271 PolarHBondContact O-N 2.87Å; K267-T271 PolarHBondContact O-OG1 3.32Å; K267-Y292 HydrophobicContact CB-CE2 3.93Å; K267-M319 HydrophobicContact CD-CB 4.35Å; K267-T320 WeakPolarHBondContact CG-O 3.28Å; K267-T320 PolarHBondContact N-O 3.01Å; K267-T320 VanDerWaalsContact N-O 3.15Å; K267-C321 HydrophobicContact CD-CB 4.45Å; K267-C321 HydrophobicContact CG-CB 4.07Å; K267-N327 PolarHBondContact NZ-ND2 2.7Å
268D95.1Very high95.2Very high56 Ų5636.8 Ų36.830%0.29918%0.179SC..Hα-helixtrans-64.1-51.5175.860.4-38.4000111.5K266 F270 T271K266-D268 VanDerWaalsContact C-OD1 3.29Å; K266-D268 WeakPolarHBondContact CA-OD1 3.43Å; K266-D268 PolarHBondContact O-N 3.29Å; D268-F270 VanDerWaalsContact C-N 3.34Å; D268-F270 PolarHBondContact O-N 3.47Å; D268-T271 WeakPolarHBondContact O-CB 3.44Å; D268-T271 PolarHBondContact O-N 3.17Å
269V94.9Very high95.6Very high38 Ų3835.8 Ų35.823%0.2317%0.173CC..Hα-helixtrans-65.4-41.3177.3-175.80000110.5K266 T271 E272 K273K266-V269 HydrophobicContact CB-CB 4.3Å; K266-V269 HydrophobicContact CB-CG2 4.39Å; K266-V269 PolarHBondContact O-N 2.83Å; V269-T271 VanDerWaalsContact C-N 3.32Å; V269-T271 PolarHBondContact O-N 3.44Å; V269-E272 PolarHBondContact O-N 3.05Å; V269-K273 HydrophobicContact CG1-CD 3.88Å; V269-K273 HydrophobicContact CG1-CG 4.32Å; V269-K273 WeakPolarHBondContact O-CG 3.48Å; V269-K273 PolarHBondContact O-N 3.33Å
270F96.9Very high96.1Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-60.8-40.3177178.7-110.5000112.5L223 Y226 K266 D268 E272 K273 I274 Y292 A295 I299L223-F270 HydrophobicContact CB-CB 3.66Å; L223-F270 HydrophobicContact CB-CD1 4.21Å; L223-F270 HydrophobicContact CB-CD2 3.99Å; L223-F270 HydrophobicContact CB-CG 3.69Å; L223-F270 HydrophobicContact CD1-CD1 4.29Å; L223-F270 WeakPolarHBondContact O-CD2 3.49Å; Y226-F270 AromaticContact CD1-CD2 3.89Å; Y226-F270 HydrophobicContact CD1-CD2 3.89Å; Y226-F270 AromaticContact CD1-CE2 3.8Å; Y226-F270 HydrophobicContact CD1-CE2 3.8Å; Y226-F270 AromaticContact CE1-CD2 3.8Å; Y226-F270 HydrophobicContact CE1-CD2 3.8Å; Y226-F270 AromaticContact CE1-CE2 3.77Å; Y226-F270 HydrophobicContact CE1-CE2 3.77Å; K266-F270 WeakPolarHBondContact O-CB 3.31Å; K266-F270 PolarHBondContact O-N 3.33Å; D268-F270 VanDerWaalsContact C-N 3.34Å; D268-F270 PolarHBondContact O-N 3.47Å; F270-E272 PolarHBondContact O-N 3.28Å; F270-K273 PolarHBondContact O-N 2.97Å; F270-I274 HydrophobicContact CE2-CB 4.3Å; F270-I274 HydrophobicContact CE2-CD1 3.91Å; F270-I274 HydrophobicContact CE2-CG1 4.37Å; F270-I274 HydrophobicContact CZ-CB 4.25Å; F270-I274 HydrophobicContact CZ-CD1 3.89Å; F270-I274 HydrophobicContact CZ-CG1 4.07Å; F270-I274 WeakPolarHBondContact O-CB 3.28Å; F270-I274 WeakPolarHBondContact O-CG2 3.22Å; F270-I274 PolarHBondContact O-N 2.93Å; F270-Y292 AromaticContact CD1-CD2 3.72Å; F270-Y292 HydrophobicContact CD1-CD2 3.72Å; F270-Y292 HydrophobicContact CD1-CE2 4.05Å; F270-Y292 HydrophobicContact CE1-CD2 4.1Å; F270-A295 HydrophobicContact CE1-CB 4.4Å; F270-A295 HydrophobicContact CZ-CB 3.77Å; F270-I299 HydrophobicContact CE2-CD1 3.87Å; F270-I299 HydrophobicContact CZ-CD1 3.92Å
271T96.2Very high96.1Very high42 Ų4242.6 Ų42.626%0.25821%0.209SC..Hα-helixtrans-57.2-37.4178.4-61.30000112.2K267 D268 V269 K275 Y292K267-T271 WeakPolarHBondContact O-CB 3.29Å; K267-T271 PolarHBondContact O-N 2.87Å; K267-T271 PolarHBondContact O-OG1 3.32Å; D268-T271 WeakPolarHBondContact O-CB 3.44Å; D268-T271 PolarHBondContact O-N 3.17Å; V269-T271 VanDerWaalsContact C-N 3.32Å; V269-T271 PolarHBondContact O-N 3.44Å; T271-K275 VanDerWaalsContact O-CE 3.3Å; T271-K275 WeakPolarHBondContact O-CE 3.47Å; T271-Y292 WeakPolarHBondContact OG1-CD2 3.26Å
272E93.9Very high96.1Very high106 Ų10642.6 Ų42.650%0.49521%0.21SC..Hα-helixtrans-81.3-39.6177.4-63.1-49.8126.300112.6V269 F270 K275V269-E272 PolarHBondContact O-N 3.05Å; F270-E272 PolarHBondContact O-N 3.28Å; E272-K275 PolarHBondContact O-N 2.96Å; E272-K275 IonicContact OE1-NZ 2.62Å; E272-K275 PolarHBondContact OE1-NZ 3.11Å; E272-K275 IonicContact OE2-NZ 3.66Å; E272-K275 PolarHBondContact OE2-NZ 2.77Å
273K94.7Very high96.1Very high34 Ų3443.2 Ų43.215%0.14821%0.212CC..Hα-helixtrans-67.5-38.9-178.4-70.1-175.575.3178.40112.8S224 Y226 D227 V269 F270 K275 K276 A277S224-K273 PolarHBondContact O-NZ 3.3Å; Y226-K273 HydrophobicContact CE1-CB 4.17Å; Y226-K273 VanDerWaalsContact OH-C 3.28Å; Y226-K273 PolarHBondContact OH-O 2.96Å; D227-K273 WeakPolarHBondContact OD1-CE 3.29Å; D227-K273 IonicContact OD1-NZ 2.85Å; D227-K273 PolarHBondContact OD1-NZ 3.1Å; D227-K273 WeakPolarHBondContact OD2-CE 3.4Å; D227-K273 IonicContact OD2-NZ 3.53Å; D227-K273 PolarHBondContact OD2-NZ 3.39Å; D227-K273 VanDerWaalsContact OD2-NZ 3.16Å; V269-K273 HydrophobicContact CG1-CD 3.88Å; V269-K273 HydrophobicContact CG1-CG 4.32Å; V269-K273 WeakPolarHBondContact O-CG 3.48Å; V269-K273 PolarHBondContact O-N 3.33Å; F270-K273 PolarHBondContact O-N 2.97Å; K273-K275 PolarHBondContact O-N 3.3Å; K273-K275 VanDerWaalsContact O-N 3.15Å; K273-K276 PolarHBondContact O-N 3.15Å; K273-A277 PolarHBondContact O-N 3.43Å
274I96.6Very high96Very high3 Ų347.9 Ų47.92%0.01524%0.243CC..THydrogen-bonded Turntrans-62.9-24.3-179.7-157.264.1000112Y226 F270 K276 L279 N290 A295Y226-I274 HydrophobicContact CE2-CD1 4.38Å; Y226-I274 WeakPolarHBondContact OH-CA 3.45Å; Y226-I274 PolarHBondContact OH-N 2.91Å; F270-I274 HydrophobicContact CE2-CB 4.3Å; F270-I274 HydrophobicContact CE2-CD1 3.91Å; F270-I274 HydrophobicContact CE2-CG1 4.37Å; F270-I274 HydrophobicContact CZ-CB 4.25Å; F270-I274 HydrophobicContact CZ-CD1 3.89Å; F270-I274 HydrophobicContact CZ-CG1 4.07Å; F270-I274 WeakPolarHBondContact O-CB 3.28Å; F270-I274 WeakPolarHBondContact O-CG2 3.22Å; F270-I274 PolarHBondContact O-N 2.93Å; I274-K276 VanDerWaalsContact C-N 3.26Å; I274-K276 PolarHBondContact O-N 3.45Å; I274-L279 HydrophobicContact CD1-CB 4.13Å; I274-N290 WeakPolarHBondContact CD1-OD1 3.49Å; I274-N290 PolarHBondContact O-ND2 3.2Å; I274-A295 HydrophobicContact CD1-CB 3.79Å; I274-A295 HydrophobicContact CG1-CB 3.94Å
275K94.9Very high95.8Very high136 Ų13654.8 Ų54.859%0.59128%0.28SS*.THydrogen-bonded Turntrans-69.2-24.6173.7-59.9171-167.6165.40113.1T271 E272 K273T271-K275 VanDerWaalsContact O-CE 3.3Å; T271-K275 WeakPolarHBondContact O-CE 3.47Å; E272-K275 PolarHBondContact O-N 2.96Å; E272-K275 IonicContact OE1-NZ 2.62Å; E272-K275 PolarHBondContact OE1-NZ 3.11Å; E272-K275 IonicContact OE2-NZ 3.66Å; E272-K275 PolarHBondContact OE2-NZ 2.77Å; K273-K275 PolarHBondContact O-N 3.3Å; K273-K275 VanDerWaalsContact O-N 3.15Å
276K93Very high95.8Very high146 Ų14655.3 Ų55.364%0.63528%0.281SS*.THydrogen-bonded Turntrans-101.6-39.6-173.2-62-175.5178.2-1740112.7D137 K273 I274D137-K276 IonicContact OD1-NZ 3.49Å; D137-K276 PolarHBondContact OD1-NZ 3.17Å; K273-K276 PolarHBondContact O-N 3.15Å; I274-K276 VanDerWaalsContact C-N 3.26Å; I274-K276 PolarHBondContact O-N 3.45Å
277A93.8Very high95.7Very high18 Ų1861.7 Ų61.715%0.14932%0.317CS..SBendtrans-126.1129.6-173.900000111.5Y226 K273 M281 N290Y226-A277 HydrophobicContact CE2-CB 4.41Å; Y226-A277 PolarHBondContact OH-O 3.24Å; K273-A277 PolarHBondContact O-N 3.43Å; A277-M281 HydrophobicContact CB-CE 3.66Å; A277-M281 HydrophobicContact CB-SD 4.26Å; A277-N290 PolarHBondContact O-ND2 3.46Å
278H96.3Very high95.6Very high71 Ų7160.1 Ų60.133%0.32932%0.315SS..  trans-71141.1-176.4-159.5-92.4000112.4S280 M281 Y286 N290H278-S280 VanDerWaalsContact ND1-CB 3.31Å; H278-S280 WeakPolarHBondContact ND1-CB 2.98Å; H278-S280 PolarHBondContact ND1-N 3.25Å; H278-S280 VanDerWaalsContact ND1-N 3.16Å; H278-S280 PolarHBondContact ND1-OG 3.17Å; H278-S280 PolarHBondContact O-N 2.92Å; H278-S280 VanDerWaalsContact O-N 3.13Å; H278-M281 WeakPolarHBondContact O-CG 3.42Å; H278-M281 PolarHBondContact O-N 3.19Å; H278-Y286 AromaticContact CE1-CD1 3.9Å; H278-N290 WeakPolarHBondContact CA-ND2 3.33Å; H278-N290 VanDerWaalsContact CD2-CB 3.47Å; H278-N290 WeakPolarHBondContact CD2-CB 3.43Å
279L97.7Very high95.6Very high0 Ų060.9 Ų60.90%032%0.323CS..G310 helixtrans-58.7-27.6178.5-175.462.7000112.6Y226 I274 M281 C282 F283 Y286 N290 A295 Y298 I299Y226-L279 HydrophobicContact CD2-CD1 4Å; Y226-L279 HydrophobicContact CG-CD1 4.17Å; I274-L279 HydrophobicContact CD1-CB 4.13Å; L279-M281 PolarHBondContact O-N 2.85Å; L279-M281 VanDerWaalsContact O-N 3.08Å; L279-C282 PolarHBondContact O-N 2.86Å; L279-F283 HydrophobicContact CD1-CD2 3.62Å; L279-F283 HydrophobicContact CD1-CE2 3.95Å; L279-F283 HydrophobicContact CD2-CD2 4.25Å; L279-F283 HydrophobicContact CG-CD2 3.81Å; L279-F283 PolarHBondContact O-N 3.36Å; L279-Y286 HydrophobicContact CB-CD1 3.74Å; L279-Y286 HydrophobicContact CB-CE1 3.97Å; L279-Y286 HydrophobicContact CB-CG 4.39Å; L279-Y286 HydrophobicContact CD2-CD1 3.89Å; L279-Y286 HydrophobicContact CD2-CD2 3.95Å; L279-Y286 HydrophobicContact CD2-CE1 4Å; L279-Y286 HydrophobicContact CD2-CE2 4.06Å; L279-Y286 HydrophobicContact CD2-CG 3.84Å; L279-Y286 HydrophobicContact CG-CD1 4.14Å; L279-Y286 HydrophobicContact CG-CG 4.31Å; L279-N290 PolarHBondContact N-OD1 2.98Å; L279-A295 HydrophobicContact CB-CB 4.32Å; L279-A295 HydrophobicContact CD2-CB 3.78Å; L279-Y298 HydrophobicContact CD2-CD1 3.81Å; L279-Y298 HydrophobicContact CD2-CG 4.28Å; L279-I299 HydrophobicContact CD1-CD1 3.85Å; L279-I299 HydrophobicContact CD1-CG1 4.06Å; L279-I299 HydrophobicContact CD2-CG1 4.38Å
280S96.4Very high95.6Very high42 Ų4261.2 Ų61.229%0.29432%0.324SS..G310 helixtrans-61.9-16.1-179.3640000115H278 C282 F283 P284H278-S280 VanDerWaalsContact ND1-CB 3.31Å; H278-S280 WeakPolarHBondContact ND1-CB 2.98Å; H278-S280 PolarHBondContact ND1-N 3.25Å; H278-S280 VanDerWaalsContact ND1-N 3.16Å; H278-S280 PolarHBondContact ND1-OG 3.17Å; H278-S280 PolarHBondContact O-N 2.92Å; H278-S280 VanDerWaalsContact O-N 3.13Å; S280-C282 PolarHBondContact O-N 3.06Å; S280-F283 VanDerWaalsContact CA-O 3.28Å; S280-F283 WeakPolarHBondContact CA-O 2.99Å; S280-F283 CarbonylContact O-C 3.58Å; S280-P284 WeakPolarHBondContact O-CA 3.46Å
281M94.3Very high95.6Very high115 Ų11564 Ų6457%0.56734%0.341SS*.G310 helixtrans-62.9-32.1170.4-59.8-170.4-33.400112.3Y226 D227 A277 H278 L279Y226-M281 HydrophobicContact CE2-CE 4.49Å; D227-M281 HydrophobicContact CB-CE 3.37Å; A277-M281 HydrophobicContact CB-CE 3.66Å; A277-M281 HydrophobicContact CB-SD 4.26Å; H278-M281 WeakPolarHBondContact O-CG 3.42Å; H278-M281 PolarHBondContact O-N 3.19Å; L279-M281 PolarHBondContact O-N 2.85Å; L279-M281 VanDerWaalsContact O-N 3.08Å
282C96.7Very high95.6Very high1 Ų165.2 Ų65.21%0.00734%0.341CS..THydrogen-bonded Turntrans-96.1-33.9175-168.60000112Y226 H240 L279 S280Y226-C282 HydrophobicContact CD2-CB 4.36Å; Y226-C282 VanDerWaalsContact O-CB 3.23Å; Y226-C282 WeakPolarHBondContact O-CB 3.5Å; H240-C282 PolarHBondContact CE1-O 3.21Å; H240-C282 PolarHBondContact NE2-O 3.34Å; L279-C282 PolarHBondContact O-N 2.86Å; S280-C282 PolarHBondContact O-N 3.06Å
283F97.4Very high95.8Very high12 Ų1266.8 Ų66.85%0.05335%0.349CS..  trans-127.584.2-175.9-61.2-78.8000109.7M239 L243 L279 S280 D285 Y286 Y298 I299 Q302M239-F283 HydrophobicContact CG-CE2 4Å; M239-F283 HydrophobicContact CG-CZ 3.7Å; L243-F283 HydrophobicContact CD1-CE1 3.76Å; L243-F283 HydrophobicContact CD1-CZ 3.88Å; L279-F283 HydrophobicContact CD1-CD2 3.62Å; L279-F283 HydrophobicContact CD1-CE2 3.95Å; L279-F283 HydrophobicContact CD2-CD2 4.25Å; L279-F283 HydrophobicContact CG-CD2 3.81Å; L279-F283 PolarHBondContact O-N 3.36Å; S280-F283 VanDerWaalsContact CA-O 3.28Å; S280-F283 WeakPolarHBondContact CA-O 2.99Å; S280-F283 CarbonylContact O-C 3.58Å; F283-D285 PolarHBondContact O-N 2.91Å; F283-Y286 VanDerWaalsContact O-CB 3.22Å; F283-Y286 WeakPolarHBondContact O-CB 3.45Å; F283-Y286 PolarHBondContact O-N 3.21Å; F283-Y298 HydrophobicContact CB-CE1 3.77Å; F283-Y298 AromaticContact CD1-CE1 3.95Å; F283-Y298 HydrophobicContact CD1-CE1 3.95Å; F283-Y298 HydrophobicContact CD2-CD1 4.45Å; F283-Y298 HydrophobicContact CD2-CE1 4.21Å; F283-Y298 HydrophobicContact CG-CD1 4.39Å; F283-Y298 AromaticContact CG-CE1 3.71Å; F283-Y298 HydrophobicContact CG-CE1 3.71Å; F283-I299 HydrophobicContact CE2-CG1 3.95Å; F283-Q302 HydrophobicContact CD1-CG 4.29Å; F283-Q302 HydrophobicContact CE1-CB 4.44Å; F283-Q302 HydrophobicContact CE1-CG 3.86Å; F283-Q302 HydrophobicContact CZ-CG 4.27Å
284P96.6Very high95.9Very high103 Ų10368.4 Ų68.467%0.66936%0.359SS*.THydrogen-bonded Turntrans-54.8-28.4-174.3-28.736.4000114.5S280 Y286S280-P284 WeakPolarHBondContact O-CA 3.46Å; P284-Y286 VanDerWaalsContact C-N 3.28Å; P284-Y286 PolarHBondContact O-N 2.75Å
285D95.4Very high96Very high145 Ų14568.2 Ų68.278%0.77536%0.358SS*.THydrogen-bonded Turntrans-79.8-3.6178.5-56.6-43000114F283 D287F283-D285 PolarHBondContact O-N 2.91Å; D285-D287 PolarHBondContact O-N 3.38Å
286Y97.3Very high96.1Very high16 Ų1661.8 Ų61.86%0.06333%0.33CS..  trans-76.5114.2177.4-178.7-105.6000111.5H278 L279 F283 P284 G288 P289 D294 A295 Y298H278-Y286 AromaticContact CE1-CD1 3.9Å; L279-Y286 HydrophobicContact CB-CD1 3.74Å; L279-Y286 HydrophobicContact CB-CE1 3.97Å; L279-Y286 HydrophobicContact CB-CG 4.39Å; L279-Y286 HydrophobicContact CD2-CD1 3.89Å; L279-Y286 HydrophobicContact CD2-CD2 3.95Å; L279-Y286 HydrophobicContact CD2-CE1 4Å; L279-Y286 HydrophobicContact CD2-CE2 4.06Å; L279-Y286 HydrophobicContact CD2-CG 3.84Å; L279-Y286 HydrophobicContact CG-CD1 4.14Å; L279-Y286 HydrophobicContact CG-CG 4.31Å; F283-Y286 VanDerWaalsContact O-CB 3.22Å; F283-Y286 WeakPolarHBondContact O-CB 3.45Å; F283-Y286 PolarHBondContact O-N 3.21Å; P284-Y286 VanDerWaalsContact C-N 3.28Å; P284-Y286 PolarHBondContact O-N 2.75Å; Y286-G288 WeakPolarHBondContact CE1-O 3.43Å; Y286-P289 PolarHBondContact OH-O 3.32Å; Y286-D294 VanDerWaalsContact OH-CB 3.31Å; Y286-D294 WeakPolarHBondContact OH-CB 3.48Å; Y286-A295 PolarHBondContact OH-N 2.97Å; Y286-Y298 AromaticContact CD2-CD1 3.84Å; Y286-Y298 HydrophobicContact CD2-CD1 3.84Å; Y286-Y298 AromaticContact CD2-CD2 3.41Å; Y286-Y298 HydrophobicContact CD2-CD2 3.41Å; Y286-Y298 VanDerWaalsContact CD2-CD2 3.41Å; Y286-Y298 HydrophobicContact CD2-CE1 4.16Å; Y286-Y298 AromaticContact CD2-CE2 3.77Å; Y286-Y298 HydrophobicContact CD2-CE2 3.77Å; Y286-Y298 AromaticContact CD2-CG 3.43Å; Y286-Y298 HydrophobicContact CD2-CG 3.43Å; Y286-Y298 VanDerWaalsContact CD2-CG 3.43Å; Y286-Y298 HydrophobicContact CE2-CD1 4.4Å; Y286-Y298 AromaticContact CE2-CD2 3.8Å; Y286-Y298 HydrophobicContact CE2-CD2 3.8Å; Y286-Y298 AromaticContact CE2-CG 3.68Å; Y286-Y298 HydrophobicContact CE2-CG 3.68Å; Y286-Y298 HydrophobicContact CG-CG 4.49Å
287D94.4Very high96.4Very high160 Ų16058.9 Ų58.986%0.85632%0.321SS*.  trans-109.31.9179.566-11.2000113.8D285D285-D287 PolarHBondContact O-N 3.38Å
288G94.3Very high96.6Very high18 Ų1860.6 Ų60.619%0.18632%0.324CS..SBendtrans-77.1171.1-178.300000114.5Y286Y286-G288 WeakPolarHBondContact CE1-O 3.43Å
289P96.3Very high96.7Very high73 Ų7357.2 Ų57.247%0.47431%0.309SS..  trans-61.2145.6175.7-21.433000112.4Y286 T291 D294Y286-P289 PolarHBondContact OH-O 3.32Å; P289-T291 HydrophobicContact CB-CG2 3.97Å; P289-T291 PolarHBondContact O-N 3.27Å; P289-D294 HydrophobicContact CB-CB 4.38Å; P289-D294 WeakPolarHBondContact CB-OD2 3.47Å; P289-D294 WeakPolarHBondContact O-CB 3.3Å
290N94.9Very high96.7Very high44 Ų4460.1 Ų60.124%0.23532%0.322CS..  trans-85.144.9179.8-153.445.2000112.8I274 A277 H278 L279I274-N290 WeakPolarHBondContact CD1-OD1 3.49Å; I274-N290 PolarHBondContact O-ND2 3.2Å; A277-N290 PolarHBondContact O-ND2 3.46Å; H278-N290 WeakPolarHBondContact CA-ND2 3.33Å; H278-N290 VanDerWaalsContact CD2-CB 3.47Å; H278-N290 WeakPolarHBondContact CD2-CB 3.43Å; L279-N290 PolarHBondContact N-OD1 2.98Å
291T96.6Very high96.8Very high59 Ų5962.5 Ų62.536%0.36233%0.33SS..SBendtrans-93.6159.817878.60000110.4P289 E293 D294 A295P289-T291 HydrophobicContact CB-CG2 3.97Å; P289-T291 PolarHBondContact O-N 3.27Å; T291-E293 VanDerWaalsContact C-N 3.25Å; T291-E293 PolarHBondContact O-N 2.98Å; T291-E293 PolarHBondContact OG1-N 3.45Å; T291-D294 PolarHBondContact OG1-N 3.28Å; T291-D294 VanDerWaalsContact OG1-N 3.12Å; T291-D294 PolarHBondContact OG1-OD2 3.47Å; T291-A295 WeakPolarHBondContact O-CB 3.43Å; T291-A295 PolarHBondContact O-N 3.36Å
292Y96.8Very high97Very high68 Ų6859.7 Ų59.727%0.26732%0.316SS..Hα-helixtrans-53.7-43.6173.3167.5-97.6000112.3K267 F270 T271 G296K267-Y292 HydrophobicContact CB-CE2 3.93Å; F270-Y292 AromaticContact CD1-CD2 3.72Å; F270-Y292 HydrophobicContact CD1-CD2 3.72Å; F270-Y292 HydrophobicContact CD1-CE2 4.05Å; F270-Y292 HydrophobicContact CE1-CD2 4.1Å; T271-Y292 WeakPolarHBondContact OG1-CD2 3.26Å; Y292-G296 WeakPolarHBondContact O-CA 3.42Å; Y292-G296 PolarHBondContact O-N 2.96Å
293E96.9Very high97.1Very high139 Ų13959.6 Ų59.665%0.6532%0.316SS*.Hα-helixtrans-70.5-51.3-175.3-64.6-175.5175.700111.5T291 N297T291-E293 VanDerWaalsContact C-N 3.25Å; T291-E293 PolarHBondContact O-N 2.98Å; T291-E293 PolarHBondContact OG1-N 3.45Å; E293-N297 WeakPolarHBondContact O-CB 3.44Å; E293-N297 PolarHBondContact O-N 3.19Å; E293-N297 PolarHBondContact O-ND2 2.83Å
294D97.8Very high97.1Very high67 Ų6760.8 Ų60.836%0.35832%0.322SS..Hα-helixtrans-66.7-51-176.8-63.5-68.4000111.2Y286 P289 T291 G296 N297 Y298Y286-D294 VanDerWaalsContact OH-CB 3.31Å; Y286-D294 WeakPolarHBondContact OH-CB 3.48Å; P289-D294 HydrophobicContact CB-CB 4.38Å; P289-D294 WeakPolarHBondContact CB-OD2 3.47Å; P289-D294 WeakPolarHBondContact O-CB 3.3Å; T291-D294 PolarHBondContact OG1-N 3.28Å; T291-D294 VanDerWaalsContact OG1-N 3.12Å; T291-D294 PolarHBondContact OG1-OD2 3.47Å; D294-G296 PolarHBondContact O-N 2.89Å; D294-N297 PolarHBondContact O-N 3.07Å; D294-Y298 WeakPolarHBondContact O-CB 3.36Å; D294-Y298 PolarHBondContact O-N 3.46Å
295A98.2Very high97.1Very high0 Ų059.4 Ų59.40%031%0.309CS..Hα-helixtrans-67.7-40-178.300000111.7F270 I274 L279 Y286 T291 Y298 I299F270-A295 HydrophobicContact CE1-CB 4.4Å; F270-A295 HydrophobicContact CZ-CB 3.77Å; I274-A295 HydrophobicContact CD1-CB 3.79Å; I274-A295 HydrophobicContact CG1-CB 3.94Å; L279-A295 HydrophobicContact CB-CB 4.32Å; L279-A295 HydrophobicContact CD2-CB 3.78Å; Y286-A295 PolarHBondContact OH-N 2.97Å; T291-A295 WeakPolarHBondContact O-CB 3.43Å; T291-A295 PolarHBondContact O-N 3.36Å; A295-Y298 PolarHBondContact O-N 3.5Å; A295-I299 WeakPolarHBondContact O-CG1 3.46Å; A295-I299 PolarHBondContact O-N 2.92Å
296G98Very high97.2Very high1 Ų154.6 Ų54.61%0.0128%0.283CS..Hα-helixtrans-63.8-44.8175.700000112Y292 D294 Y298 I299 K300 M319Y292-G296 WeakPolarHBondContact O-CA 3.42Å; Y292-G296 PolarHBondContact O-N 2.96Å; D294-G296 PolarHBondContact O-N 2.89Å; G296-Y298 VanDerWaalsContact C-N 3.33Å; G296-Y298 PolarHBondContact O-N 2.92Å; G296-I299 PolarHBondContact O-N 3.04Å; G296-K300 WeakPolarHBondContact O-CB 3.47Å; G296-K300 PolarHBondContact O-N 3.1Å; G296-M319 VanDerWaalsContact O-CE 3.32Å; G296-M319 WeakPolarHBondContact O-CE 3.26Å
297N98.1Very high97.1Very high84 Ų8454.3 Ų54.345%0.44928%0.283SS..Hα-helixtrans-65-37.2175.8-76.1-33.3000112.1E293 D294 K300 L301E293-N297 WeakPolarHBondContact O-CB 3.44Å; E293-N297 PolarHBondContact O-N 3.19Å; E293-N297 PolarHBondContact O-ND2 2.83Å; D294-N297 PolarHBondContact O-N 3.07Å; N297-K300 WeakPolarHBondContact O-CB 3.18Å; N297-K300 PolarHBondContact O-N 2.89Å; N297-L301 WeakPolarHBondContact O-CG 3.36Å; N297-L301 PolarHBondContact O-N 2.84Å
298Y98.4Very high97Very high54 Ų5453 Ų5321%0.21228%0.275CS..Hα-helixtrans-60.8-51.3174-174.9-90.9000111.4L279 F283 Y286 D294 A295 G296 K300 L301 Q302L279-Y298 HydrophobicContact CD2-CD1 3.81Å; L279-Y298 HydrophobicContact CD2-CG 4.28Å; F283-Y298 HydrophobicContact CB-CE1 3.77Å; F283-Y298 AromaticContact CD1-CE1 3.95Å; F283-Y298 HydrophobicContact CD1-CE1 3.95Å; F283-Y298 HydrophobicContact CD2-CD1 4.45Å; F283-Y298 HydrophobicContact CD2-CE1 4.21Å; F283-Y298 HydrophobicContact CG-CD1 4.39Å; F283-Y298 AromaticContact CG-CE1 3.71Å; F283-Y298 HydrophobicContact CG-CE1 3.71Å; Y286-Y298 AromaticContact CD2-CD1 3.84Å; Y286-Y298 HydrophobicContact CD2-CD1 3.84Å; Y286-Y298 AromaticContact CD2-CD2 3.41Å; Y286-Y298 HydrophobicContact CD2-CD2 3.41Å; Y286-Y298 VanDerWaalsContact CD2-CD2 3.41Å; Y286-Y298 HydrophobicContact CD2-CE1 4.16Å; Y286-Y298 AromaticContact CD2-CE2 3.77Å; Y286-Y298 HydrophobicContact CD2-CE2 3.77Å; Y286-Y298 AromaticContact CD2-CG 3.43Å; Y286-Y298 HydrophobicContact CD2-CG 3.43Å; Y286-Y298 VanDerWaalsContact CD2-CG 3.43Å; Y286-Y298 HydrophobicContact CE2-CD1 4.4Å; Y286-Y298 AromaticContact CE2-CD2 3.8Å; Y286-Y298 HydrophobicContact CE2-CD2 3.8Å; Y286-Y298 AromaticContact CE2-CG 3.68Å; Y286-Y298 HydrophobicContact CE2-CG 3.68Å; Y286-Y298 HydrophobicContact CG-CG 4.49Å; D294-Y298 WeakPolarHBondContact O-CB 3.36Å; D294-Y298 PolarHBondContact O-N 3.46Å; A295-Y298 PolarHBondContact O-N 3.5Å; G296-Y298 VanDerWaalsContact C-N 3.33Å; G296-Y298 PolarHBondContact O-N 2.92Å; Y298-K300 VanDerWaalsContact C-N 3.27Å; Y298-K300 PolarHBondContact O-N 3.3Å; Y298-L301 WeakPolarHBondContact O-CB 3.44Å; Y298-L301 PolarHBondContact O-N 3.22Å; Y298-Q302 HydrophobicContact CD1-CG 3.91Å; Y298-Q302 HydrophobicContact CE1-CG 3.63Å; Y298-Q302 WeakPolarHBondContact O-CG 3.49Å; Y298-Q302 PolarHBondContact O-N 2.82Å; Y298-Q302 PolarHBondContact OH-NE2 3.26Å
299I98.5Very high96.8Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-56.7-44176.4-67.5164000110.6L223 M239 L264 F270 L279 F283 A295 G296 L301 Q302 F303L223-I299 HydrophobicContact CD2-CB 4.14Å; L223-I299 HydrophobicContact CD2-CD1 3.97Å; L223-I299 HydrophobicContact CD2-CG2 3.81Å; M239-I299 HydrophobicContact CE-CD1 4.18Å; M239-I299 HydrophobicContact CE-CG2 3.91Å; M239-I299 HydrophobicContact SD-CG2 4.01Å; L264-I299 HydrophobicContact CD2-CG2 4.38Å; F270-I299 HydrophobicContact CE2-CD1 3.87Å; F270-I299 HydrophobicContact CZ-CD1 3.92Å; L279-I299 HydrophobicContact CD1-CD1 3.85Å; L279-I299 HydrophobicContact CD1-CG1 4.06Å; L279-I299 HydrophobicContact CD2-CG1 4.38Å; F283-I299 HydrophobicContact CE2-CG1 3.95Å; A295-I299 WeakPolarHBondContact O-CG1 3.46Å; A295-I299 PolarHBondContact O-N 2.92Å; G296-I299 PolarHBondContact O-N 3.04Å; I299-L301 VanDerWaalsContact C-N 3.33Å; I299-L301 PolarHBondContact O-N 2.9Å; I299-Q302 WeakPolarHBondContact O-CB 3.35Å; I299-Q302 PolarHBondContact O-N 3.41Å; I299-F303 HydrophobicContact CG2-CD2 4.03Å; I299-F303 HydrophobicContact CG2-CE2 3.89Å; I299-F303 WeakPolarHBondContact O-CD2 3.48Å; I299-F303 PolarHBondContact O-N 3.15Å
300K98.4Very high96.4Very high62 Ų6259.7 Ų59.727%0.2729%0.285SS..Hα-helixtrans-54.3-49175.2172.3174.4157.2161.40111.6L264 G296 N297 Y298 Q302 F303 L304 S317 M319L264-K300 HydrophobicContact CD1-CB 3.48Å; L264-K300 VanDerWaalsContact CD1-CB 3.48Å; L264-K300 HydrophobicContact CD1-CD 4.43Å; L264-K300 HydrophobicContact CD1-CG 3.97Å; G296-K300 WeakPolarHBondContact O-CB 3.47Å; G296-K300 PolarHBondContact O-N 3.1Å; N297-K300 WeakPolarHBondContact O-CB 3.18Å; N297-K300 PolarHBondContact O-N 2.89Å; Y298-K300 VanDerWaalsContact C-N 3.27Å; Y298-K300 PolarHBondContact O-N 3.3Å; K300-Q302 VanDerWaalsContact C-N 3.34Å; K300-Q302 PolarHBondContact O-N 3.21Å; K300-F303 PolarHBondContact O-N 2.75Å; K300-L304 HydrophobicContact CG-CD1 3.99Å; K300-L304 HydrophobicContact CG-CG 4.33Å; K300-L304 WeakPolarHBondContact O-CG 3.34Å; K300-L304 PolarHBondContact O-N 3.28Å; K300-S317 WeakPolarHBondContact CE-OG 3.46Å; K300-S317 PolarHBondContact NZ-OG 3.02Å; K300-S317 VanDerWaalsContact NZ-OG 3.16Å; K300-M319 HydrophobicContact CB-CE 4.05Å; K300-M319 HydrophobicContact CD-CE 4.31Å
301L97.7Very high95.9Very high91 Ų9164.3 Ų64.348%0.47631%0.31SS..Hα-helixtrans-61.5-41.5178.4-69.9172.6000111.8N297 Y298 I299 F303 L304 D305N297-L301 WeakPolarHBondContact O-CG 3.36Å; N297-L301 PolarHBondContact O-N 2.84Å; Y298-L301 WeakPolarHBondContact O-CB 3.44Å; Y298-L301 PolarHBondContact O-N 3.22Å; I299-L301 VanDerWaalsContact C-N 3.33Å; I299-L301 PolarHBondContact O-N 2.9Å; L301-F303 PolarHBondContact O-N 3.35Å; L301-L304 PolarHBondContact O-N 2.82Å; L301-L304 VanDerWaalsContact O-N 3.15Å; L301-D305 VanDerWaalsContact O-CB 3.31Å; L301-D305 WeakPolarHBondContact O-CB 3.43Å; L301-D305 PolarHBondContact O-N 2.85Å
302Q98.3Very high95.4Very high56 Ų5666.6 Ų66.626%0.26232%0.319SS..Hα-helixtrans-55.3-39.1175.9-63.5-59.2-63.100112.5L243 F283 Y298 I299 K300 L306L243-Q302 HydrophobicContact CD1-CB 4.48Å; L243-Q302 HydrophobicContact CD2-CB 3.98Å; F283-Q302 HydrophobicContact CD1-CG 4.29Å; F283-Q302 HydrophobicContact CE1-CB 4.44Å; F283-Q302 HydrophobicContact CE1-CG 3.86Å; F283-Q302 HydrophobicContact CZ-CG 4.27Å; Y298-Q302 HydrophobicContact CD1-CG 3.91Å; Y298-Q302 HydrophobicContact CE1-CG 3.63Å; Y298-Q302 WeakPolarHBondContact O-CG 3.49Å; Y298-Q302 PolarHBondContact O-N 2.82Å; Y298-Q302 PolarHBondContact OH-NE2 3.26Å; I299-Q302 WeakPolarHBondContact O-CB 3.35Å; I299-Q302 PolarHBondContact O-N 3.41Å; K300-Q302 VanDerWaalsContact C-N 3.34Å; K300-Q302 PolarHBondContact O-N 3.21Å; Q302-L306 WeakPolarHBondContact O-CG 3.39Å
303F98.5Very high94.9Very high0 Ų063.7 Ų63.70%031%0.308CS..Hα-helixtrans-72.5-48.8174.5-82-84000112.7F219 A221 M239 L243 F246 L262 L264 I299 K300 L301 D305 L306F219-F303 AromaticContact CE1-CE1 3.99Å; F219-F303 HydrophobicContact CE1-CE1 3.99Å; A221-F303 HydrophobicContact CB-CE1 4.02Å; A221-F303 HydrophobicContact CB-CE2 3.95Å; A221-F303 HydrophobicContact CB-CZ 3.48Å; A221-F303 VanDerWaalsContact CB-CZ 3.48Å; M239-F303 HydrophobicContact SD-CE2 3.73Å; M239-F303 HydrophobicContact SD-CZ 4.03Å; L243-F303 HydrophobicContact CD2-CB 4.46Å; L243-F303 HydrophobicContact CD2-CD1 3.8Å; L243-F303 HydrophobicContact CD2-CD2 3.74Å; L243-F303 HydrophobicContact CD2-CE1 3.84Å; L243-F303 HydrophobicContact CD2-CE2 3.78Å; L243-F303 HydrophobicContact CD2-CG 3.74Å; L243-F303 HydrophobicContact CD2-CZ 3.82Å; L243-F303 HydrophobicContact CG-CE1 4.29Å; L243-F303 HydrophobicContact CG-CE2 4.25Å; L243-F303 HydrophobicContact CG-CZ 4.04Å; F246-F303 HydrophobicContact CB-CD1 3.69Å; F246-F303 HydrophobicContact CB-CE1 3.71Å; F246-F303 AromaticContact CD1-CD1 3.83Å; F246-F303 HydrophobicContact CD1-CD1 3.83Å; F246-F303 HydrophobicContact CD2-CD1 4.09Å; F246-F303 WeakPolarHBondContact CE1-O 3.37Å; F246-F303 AromaticContact CG-CD1 3.59Å; F246-F303 HydrophobicContact CG-CD1 3.59Å; F246-F303 HydrophobicContact CG-CE1 4.11Å; L262-F303 HydrophobicContact CD1-CD1 4.18Å; L262-F303 HydrophobicContact CD1-CG 4.37Å; L262-F303 HydrophobicContact CD2-CB 3.42Å; L262-F303 VanDerWaalsContact CD2-CB 3.42Å; L262-F303 HydrophobicContact CD2-CD1 4.39Å; L262-F303 HydrophobicContact CD2-CD2 4.48Å; L262-F303 HydrophobicContact CD2-CG 3.88Å; L264-F303 HydrophobicContact CD2-CD2 3.92Å; L264-F303 HydrophobicContact CD2-CE2 4.1Å; I299-F303 HydrophobicContact CG2-CD2 4.03Å; I299-F303 HydrophobicContact CG2-CE2 3.89Å; I299-F303 WeakPolarHBondContact O-CD2 3.48Å; I299-F303 PolarHBondContact O-N 3.15Å; K300-F303 PolarHBondContact O-N 2.75Å; L301-F303 PolarHBondContact O-N 3.35Å; F303-D305 PolarHBondContact O-N 2.97Å; F303-L306 WeakPolarHBondContact O-CB 3.43Å; F303-L306 PolarHBondContact O-N 3.28Å
304L97.3Very high94.3Very high36 Ų3662.8 Ų62.819%0.18830%0.303CS..Hα-helixtrans-61.3-30.4-178.5-64.6-177.4000111.5K300 L301 L306 N307 V315K300-L304 HydrophobicContact CG-CD1 3.99Å; K300-L304 HydrophobicContact CG-CG 4.33Å; K300-L304 WeakPolarHBondContact O-CG 3.34Å; K300-L304 PolarHBondContact O-N 3.28Å; L301-L304 PolarHBondContact O-N 2.82Å; L301-L304 VanDerWaalsContact O-N 3.15Å; L304-L306 PolarHBondContact O-N 2.87Å; L304-N307 WeakPolarHBondContact O-CB 3.24Å; L304-N307 PolarHBondContact O-N 3.31Å; L304-V315 HydrophobicContact CD2-CB 3.85Å; L304-V315 HydrophobicContact CD2-CG1 3.65Å
305D96.8Very high94.1Very high75 Ų7560.4 Ų60.440%0.40129%0.291SS..Hα-helixtrans-70.6-21.2-177.5-78-30.1000114.2L301 F303 N307 R310L301-D305 VanDerWaalsContact O-CB 3.31Å; L301-D305 WeakPolarHBondContact O-CB 3.43Å; L301-D305 PolarHBondContact O-N 2.85Å; F303-D305 PolarHBondContact O-N 2.97Å; D305-N307 VanDerWaalsContact C-N 3.25Å; D305-N307 PolarHBondContact O-N 3.44Å; D305-R310 PolarHBondContact O-NH2 3.4Å; D305-R310 VanDerWaalsContact O-NH2 3.14Å; D305-R310 IonicContact OD1-CZ 3.23Å; D305-R310 IonicContact OD1-NH1 2.78Å; D305-R310 PolarHBondContact OD1-NH1 3.11Å; D305-R310 IonicContact OD1-NH2 2.83Å; D305-R310 PolarHBondContact OD1-NH2 3.43Å
306L97.3Very high93.9Very high44 Ų4462.2 Ų62.223%0.2330%0.298CS..THydrogen-bonded Turntrans-74.4-11.8175.8-63.1168.6000113.5L243 F246 N247 N251 Q302 F303 L304 L308L243-L306 HydrophobicContact CB-CD1 4.11Å; L243-L306 HydrophobicContact CD2-CD1 3.73Å; L243-L306 WeakPolarHBondContact O-CD1 3.48Å; F246-L306 HydrophobicContact CD1-CB 4.08Å; F246-L306 HydrophobicContact CD1-CD1 3.99Å; F246-L306 HydrophobicContact CE1-CB 4.33Å; N247-L306 HydrophobicContact CB-CB 4.35Å; N247-L306 HydrophobicContact CB-CD1 4.11Å; N247-L306 HydrophobicContact CB-CD2 4.13Å; N247-L306 HydrophobicContact CB-CG 4.43Å; N251-L306 PolarHBondContact ND2-O 3.23Å; Q302-L306 WeakPolarHBondContact O-CG 3.39Å; F303-L306 WeakPolarHBondContact O-CB 3.43Å; F303-L306 PolarHBondContact O-N 3.28Å; L304-L306 PolarHBondContact O-N 2.87Å; L306-L308 PolarHBondContact O-N 3.32Å; L306-L308 VanDerWaalsContact O-N 3.17Å
307N95.9Very high93.8Very high9 Ų963.3 Ų63.35%0.04831%0.305CS..  trans-73.7106.2173.5-179.611.2000109.9L304 D305 R309 R310 K313 V315L304-N307 WeakPolarHBondContact O-CB 3.24Å; L304-N307 PolarHBondContact O-N 3.31Å; D305-N307 VanDerWaalsContact C-N 3.25Å; D305-N307 PolarHBondContact O-N 3.44Å; N307-R309 PolarHBondContact O-N 2.87Å; N307-R309 PolarHBondContact OD1-N 3.28Å; N307-R310 HydrophobicContact CB-CG 4.24Å; N307-R310 WeakPolarHBondContact O-CG 3.31Å; N307-R310 PolarHBondContact O-NE 3.4Å; N307-K313 PolarHBondContact ND2-O 2.92Å; N307-V315 HydrophobicContact CB-CG2 4.23Å
308L93.3Very high93.7Very high133 Ų13361.3 Ų61.370%0.69629%0.294SS*.THydrogen-bonded Turntrans-79.4-4.2-179.3-57.9179.5000113.3N251 L306N251-L308 WeakPolarHBondContact OD1-CB 3.45Å; N251-L308 WeakPolarHBondContact OD1-CG 3.39Å; N251-L308 PolarHBondContact OD1-N 3.1Å; L306-L308 PolarHBondContact O-N 3.32Å; L306-L308 VanDerWaalsContact O-N 3.17Å
309R89.6Confident93.6Very high83 Ų8360.8 Ų60.831%0.31329%0.294SS..THydrogen-bonded Turntrans-129.244.4-171.5-56.5-171-170.4-1542.5111.8I256 N307 D311 I312 K313I256-R309 VanDerWaalsContact CG1-NH1 3.33Å; N307-R309 PolarHBondContact O-N 2.87Å; N307-R309 PolarHBondContact OD1-N 3.28Å; R309-D311 WeakPolarHBondContact CA-OD1 3.29Å; R309-D311 PolarHBondContact O-N 3.46Å; R309-D311 VanDerWaalsContact O-N 3.11Å; R309-I312 HydrophobicContact CB-CD1 4.21Å; R309-I312 HydrophobicContact CB-CG1 3.78Å; R309-I312 PolarHBondContact O-N 3.47Å; R309-I312 VanDerWaalsContact O-N 3.1Å; R309-K313 HydrophobicContact CB-CB 4.44Å; R309-K313 WeakPolarHBondContact O-CB 3.42Å; R309-K313 PolarHBondContact O-N 3.31Å
310R87.6Confident93.5Very high148 Ų14860.9 Ų60.956%0.55829%0.294SS*.THydrogen-bonded Turntrans-61.6-19.4-175.2-51.7-170.1-164.8-175.214.4113.7D305 N307D305-R310 PolarHBondContact O-NH2 3.4Å; D305-R310 VanDerWaalsContact O-NH2 3.14Å; D305-R310 IonicContact OD1-CZ 3.23Å; D305-R310 IonicContact OD1-NH1 2.78Å; D305-R310 PolarHBondContact OD1-NH1 3.11Å; D305-R310 IonicContact OD1-NH2 2.83Å; D305-R310 PolarHBondContact OD1-NH2 3.43Å; N307-R310 HydrophobicContact CB-CG 4.24Å; N307-R310 WeakPolarHBondContact O-CG 3.31Å; N307-R310 PolarHBondContact O-NE 3.4Å
311D85.1Confident93.4Very high141 Ų14158.4 Ų58.475%0.75428%0.284SS*.THydrogen-bonded Turntrans-74.2-29.5177.360.2-45.5000113.3R309R309-D311 WeakPolarHBondContact CA-OD1 3.29Å; R309-D311 PolarHBondContact O-N 3.46Å; R309-D311 VanDerWaalsContact O-N 3.11Å
312I84.5Confident93.4Very high107 Ų10754.2 Ų54.255%0.54926%0.263SS..THydrogen-bonded Turntrans-119.6-18.3-177.160.9168.8000114I256 R309I256-I312 HydrophobicContact CG2-CD1 4.47Å; R309-I312 HydrophobicContact CB-CD1 4.21Å; R309-I312 HydrophobicContact CB-CG1 3.78Å; R309-I312 PolarHBondContact O-N 3.47Å; R309-I312 VanDerWaalsContact O-N 3.1Å
313K86.9Confident93.2Very high8 Ų852.7 Ų52.74%0.03526%0.257CS..  trans-128.5116.1-175-179.2174.9-178.2164.10109.8C250 F255 T258 I260 N307 R309C250-K313 PolarHBondContact O-NZ 3.47Å; F255-K313 PolarHBondContact O-NZ 2.9Å; T258-K313 WeakPolarHBondContact O-CE 3.38Å; T258-K313 PolarHBondContact O-NZ 3.01Å; I260-K313 VanDerWaalsContact CD1-CE 3.41Å; I260-K313 VanDerWaalsContact CG1-CE 3.49Å; N307-K313 PolarHBondContact ND2-O 2.92Å; R309-K313 HydrophobicContact CB-CB 4.44Å; R309-K313 WeakPolarHBondContact O-CB 3.42Å; R309-K313 PolarHBondContact O-N 3.31Å
314E84.9Confident93.1Very high119 Ų11955.9 Ų55.956%0.55628%0.275SS*.  trans-89.8141.3174.2-164.6165-174.800110.3Y316E314-Y316 HydrophobicContact CB-CE2 4.09Å; E314-Y316 HydrophobicContact CG-CD1 4.39Å; E314-Y316 HydrophobicContact CG-CE1 3.95Å; E314-Y316 HydrophobicContact CG-CE2 4.14Å; E314-Y316 PolarHBondContact OE2-OH 3.34Å; E314-Y316 VanDerWaalsContact OE2-OH 3.14Å
315V93.4Very high93.1Very high17 Ų1755.3 Ų55.310%0.10327%0.272CS..EExtended strand (participates in β ladder)trans-116.3110.5173.2178.90000108.1F246 I260 L262 L304 N307F246-V315 HydrophobicContact CZ-CG1 4.05Å; F246-V315 HydrophobicContact CZ-CG2 4.4Å; I260-V315 HydrophobicContact CB-CG2 4.37Å; I260-V315 HydrophobicContact CG2-CG1 4.31Å; I260-V315 WeakPolarHBondContact O-CA 3.13Å; L262-V315 HydrophobicContact CB-CG1 4.02Å; L304-V315 HydrophobicContact CD2-CB 3.85Å; L304-V315 HydrophobicContact CD2-CG1 3.65Å; N307-V315 HydrophobicContact CB-CG2 4.23Å
316Y93.1Very high93Very high39 Ų3957.4 Ų57.415%0.15328%0.28CS..EExtended strand (participates in β ladder)trans-86.7125.9179.4-56.6-86.6000109.1I260 V261 L262 E314 I338I260-Y316 PolarHBondContact O-N 3.15Å; V261-Y316 CarbonylContact C-O 3.54Å; V261-Y316 VanDerWaalsContact CA-O 3.31Å; V261-Y316 WeakPolarHBondContact CA-O 3.49Å; L262-Y316 PolarHBondContact N-O 2.91Å; E314-Y316 HydrophobicContact CB-CE2 4.09Å; E314-Y316 HydrophobicContact CG-CD1 4.39Å; E314-Y316 HydrophobicContact CG-CE1 3.95Å; E314-Y316 HydrophobicContact CG-CE2 4.14Å; E314-Y316 PolarHBondContact OE2-OH 3.34Å; E314-Y316 VanDerWaalsContact OE2-OH 3.14Å; Y316-I338 HydrophobicContact CD1-CD1 3.62Å; Y316-I338 HydrophobicContact CD1-CG1 4.19Å; Y316-I338 HydrophobicContact CD2-CD1 4.04Å; Y316-I338 HydrophobicContact CD2-CG2 3.76Å; Y316-I338 HydrophobicContact CE1-CD1 4.09Å; Y316-I338 HydrophobicContact CE1-CG1 4.15Å; Y316-I338 HydrophobicContact CE1-CG2 4.31Å; Y316-I338 HydrophobicContact CE2-CD1 4.47Å; Y316-I338 HydrophobicContact CE2-CG2 3.35Å; Y316-I338 HydrophobicContact CG-CD1 3.57Å; Y316-I338 HydrophobicContact CG-CG1 4.39Å; Y316-I338 HydrophobicContact CG-CG2 4.38Å
317S95.8Very high92.9Very high23 Ų2356.3 Ų56.316%0.16127%0.274CS..EExtended strand (participates in β ladder)trans-118.5134.5-174.651.40000112.5L262 K300L262-S317 CarbonylContact O-C 3.57Å; L262-S317 VanDerWaalsContact O-CA 3.31Å; L262-S317 WeakPolarHBondContact O-CA 3.43Å; K300-S317 WeakPolarHBondContact CE-OG 3.46Å; K300-S317 PolarHBondContact NZ-OG 3.02Å; K300-S317 VanDerWaalsContact NZ-OG 3.16Å
318H96.3Very high92.8Very high43 Ų4356.1 Ų56.120%0.19927%0.273CS..EExtended strand (participates in β ladder)trans-131.1135.2179.5-61.7-91.1000110.6L262 F263 L264 T320 V331L262-H318 PolarHBondContact O-N 3.39Å; F263-H318 HydrophobicContact CD1-CB 4.21Å; F263-H318 HydrophobicContact CE1-CB 4.44Å; L264-H318 PolarHBondContact N-O 2.97Å; H318-T320 HydrophobicContact CB-CG2 4Å; H318-V331 HydrophobicContact CB-CG1 3.78Å; H318-V331 HydrophobicContact CB-CG2 4.23Å
319M96.4Very high92.8Very high43 Ų4353.1 Ų53.121%0.21226%0.255CS..EExtended strand (participates in β ladder)trans-80.4119167.9-60.7-62.1-175.600108.5L223 L264 K267 G296 K300L223-M319 HydrophobicContact CD1-SD 3.82Å; L264-M319 HydrophobicContact CB-SD 3.54Å; L264-M319 VanDerWaalsContact CB-SD 3.54Å; L264-M319 HydrophobicContact CD1-CE 3.64Å; L264-M319 HydrophobicContact CD1-SD 3.58Å; L264-M319 VanDerWaalsContact CD1-SD 3.58Å; L264-M319 HydrophobicContact CG-SD 4.21Å; K267-M319 HydrophobicContact CD-CB 4.35Å; G296-M319 VanDerWaalsContact O-CE 3.32Å; G296-M319 WeakPolarHBondContact O-CE 3.26Å; K300-M319 HydrophobicContact CB-CE 4.05Å; K300-M319 HydrophobicContact CD-CE 4.31Å
320T97.3Very high92.8Very high2 Ų256 Ų561%0.01227%0.27CS..  trans-123.9153.6-171.264.80000113.4F263 L264 N265 K266 K267 H318 N327 V331F263-T320 HydrophobicContact CB-CG2 4.09Å; F263-T320 HydrophobicContact CD1-CG2 3.94Å; F263-T320 HydrophobicContact CD2-CG2 4.26Å; F263-T320 HydrophobicContact CE1-CG2 4.45Å; F263-T320 HydrophobicContact CG-CG2 3.85Å; L264-T320 PolarHBondContact O-N 3.47Å; N265-T320 CarbonylContact C-O 3.55Å; N265-T320 WeakPolarHBondContact CA-O 3.23Å; N265-T320 VanDerWaalsContact CA-OG1 3.25Å; N265-T320 WeakPolarHBondContact CA-OG1 3.29Å; N265-T320 WeakPolarHBondContact CB-OG1 3.37Å; N265-T320 PolarHBondContact OD1-O 3.39Å; N265-T320 PolarHBondContact OD1-OG1 3.31Å; K266-T320 PolarHBondContact N-O 2.99Å; K266-T320 VanDerWaalsContact N-O 3.1Å; K267-T320 WeakPolarHBondContact CG-O 3.28Å; K267-T320 PolarHBondContact N-O 3.01Å; K267-T320 VanDerWaalsContact N-O 3.15Å; H318-T320 HydrophobicContact CB-CG2 4Å; T320-N327 VanDerWaalsContact CA-OD1 3.25Å; T320-N327 WeakPolarHBondContact CA-OD1 3.23Å; T320-V331 HydrophobicContact CG2-CB 4.46Å; T320-V331 HydrophobicContact CG2-CG1 3.99Å; T320-V331 HydrophobicContact CG2-CG2 4.08Å
321C96.7Very high92.9Very high9 Ų949.1 Ų49.16%0.06124%0.244CC..  trans-125.198.8165.5-1790000106.7K267 T323 D324 N327K267-C321 HydrophobicContact CD-CB 4.45Å; K267-C321 HydrophobicContact CG-CB 4.07Å; C321-T323 PolarHBondContact O-N 2.86Å; C321-T323 VanDerWaalsContact O-N 3.12Å; C321-T323 PolarHBondContact SG-OG1 3.27Å; C321-D324 HydrophobicContact CB-CB 3.85Å; C321-D324 WeakPolarHBondContact O-CB 3.41Å; C321-D324 PolarHBondContact O-N 3.08Å; C321-N327 PolarHBondContact N-OD1 2.76Å
322A96.1Very high93.2Very high4 Ų442.5 Ų42.53%0.03321%0.209CC..THydrogen-bonded Turntrans-63.6-18.4-175.200000113.6T44 I45 Q48 N265T44-A322 HydrophobicContact CG2-CB 3.68Å; T44-A322 WeakPolarHBondContact CG2-O 3.36Å; I45-A322 HydrophobicContact CD1-CB 3.69Å; I45-A322 HydrophobicContact CG1-CB 4.23Å; Q48-A322 VanDerWaalsContact CG-O 3.28Å; Q48-A322 WeakPolarHBondContact CG-O 3.41Å; Q48-A322 PolarHBondContact NE2-O 2.79Å; N265-A322 WeakPolarHBondContact OD1-CB 3.33Å; N265-A322 PolarHBondContact OD1-N 3.04Å
323T95.4Very high93.4Very high23 Ų2340.3 Ų40.314%0.14120%0.198CC..THydrogen-bonded Turntrans-86.2-6.6174.2490000113T44 Q168 R172 C321T44-T323 HydrophobicContact CG2-CG2 4.32Å; Q168-T323 PolarHBondContact NE2-O 2.79Å; R172-T323 HydrophobicContact CG-CG2 3.95Å; C321-T323 PolarHBondContact O-N 2.86Å; C321-T323 VanDerWaalsContact O-N 3.12Å; C321-T323 PolarHBondContact SG-OG1 3.27Å
324D96.7Very high93.4Very high68 Ų6841.2 Ų41.236%0.36421%0.207SC..  trans-99.3105.2174.3177.5-10.3000109.8C321 E326 N327 V328C321-D324 HydrophobicContact CB-CB 3.85Å; C321-D324 WeakPolarHBondContact O-CB 3.41Å; C321-D324 PolarHBondContact O-N 3.08Å; D324-E326 VanDerWaalsContact C-N 3.33Å; D324-E326 PolarHBondContact O-N 2.62Å; D324-E326 PolarHBondContact OD1-N 2.98Å; D324-E326 VanDerWaalsContact OD1-N 3.12Å; D324-N327 HydrophobicContact CB-CB 3.84Å; D324-N327 VanDerWaalsContact CG-CB 3.47Å; D324-N327 PolarHBondContact O-N 3.37Å; D324-N327 PolarHBondContact OD1-N 3.43Å; D324-N327 VanDerWaalsContact OD1-N 3.1Å; D324-N327 WeakPolarHBondContact OD2-CB 3.39Å; D324-V328 WeakPolarHBondContact O-CG2 3.38Å; D324-V328 PolarHBondContact O-N 2.97Å
325T95.9Very high93.5Very high23 Ų2335.6 Ų35.614%0.14118%0.181CC..Hα-helixtrans-60.1-39.8-175.9-53.30000112.6Q48 I51 I52 V328 K329Q48-T325 PolarHBondContact NE2-OG1 3.13Å; Q48-T325 PolarHBondContact OE1-OG1 2.9Å; I51-T325 HydrophobicContact CG2-CG2 4.24Å; I52-T325 HydrophobicContact CD1-CG2 4.28Å; I52-T325 HydrophobicContact CG1-CG2 3.89Å; T325-V328 PolarHBondContact O-N 2.67Å; T325-K329 WeakPolarHBondContact O-CG 3.3Å; T325-K329 PolarHBondContact O-N 2.82Å
326E95.1Very high93.3Very high120 Ų12034.8 Ų34.856%0.56118%0.176SC*.Hα-helixtrans-72.4-37.7-179.6-66.9-56.8124.500111.2D324 V328 K329 F330D324-E326 VanDerWaalsContact C-N 3.33Å; D324-E326 PolarHBondContact O-N 2.62Å; D324-E326 PolarHBondContact OD1-N 2.98Å; D324-E326 VanDerWaalsContact OD1-N 3.12Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 3.14Å; E326-K329 PolarHBondContact O-N 3.38Å; E326-K329 IonicContact OE1-NZ 3.26Å; E326-K329 PolarHBondContact OE1-NZ 3.26Å; E326-F330 WeakPolarHBondContact O-CB 3.25Å; E326-F330 PolarHBondContact O-N 3.12Å
327N94.2Very high93Very high21 Ų2137 Ų3711%0.11219%0.19CC..Hα-helixtrans-61.9-41.7172.7-178.1-120.5000112K267 T320 C321 D324 V331K267-N327 PolarHBondContact NZ-ND2 2.7Å; T320-N327 VanDerWaalsContact CA-OD1 3.25Å; T320-N327 WeakPolarHBondContact CA-OD1 3.23Å; C321-N327 PolarHBondContact N-OD1 2.76Å; D324-N327 HydrophobicContact CB-CB 3.84Å; D324-N327 VanDerWaalsContact CG-CB 3.47Å; D324-N327 PolarHBondContact O-N 3.37Å; D324-N327 PolarHBondContact OD1-N 3.43Å; D324-N327 VanDerWaalsContact OD1-N 3.1Å; D324-N327 WeakPolarHBondContact OD2-CB 3.39Å; N327-V331 WeakPolarHBondContact O-CB 3.35Å; N327-V331 WeakPolarHBondContact O-CG2 3.4Å; N327-V331 PolarHBondContact O-N 2.95Å; N327-V331 VanDerWaalsContact O-N 3.08Å
328V94.4Very high92.4Very high4 Ų437 Ų372%0.02419%0.188CC..Hα-helixtrans-68.8-42.5178.4175.40000111.6I45 Q48 M49 I52 D324 T325 E326 F330 V331 F332I45-V328 HydrophobicContact CD1-CG1 4.24Å; I45-V328 HydrophobicContact CD1-CG2 3.94Å; Q48-V328 HydrophobicContact CB-CB 4.4Å; Q48-V328 HydrophobicContact CB-CG1 3.78Å; Q48-V328 HydrophobicContact CG-CB 4.3Å; Q48-V328 HydrophobicContact CG-CG1 4.16Å; Q48-V328 HydrophobicContact CG-CG2 4.11Å; M49-V328 HydrophobicContact CE-CG1 3.71Å; I52-V328 HydrophobicContact CD1-CB 4.33Å; I52-V328 HydrophobicContact CD1-CG1 3.98Å; D324-V328 WeakPolarHBondContact O-CG2 3.38Å; D324-V328 PolarHBondContact O-N 2.97Å; T325-V328 PolarHBondContact O-N 2.67Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 3.14Å; V328-F330 PolarHBondContact O-N 2.92Å; V328-V331 PolarHBondContact O-N 3.22Å; V328-F332 VanDerWaalsContact O-CB 3.25Å; V328-F332 WeakPolarHBondContact O-CB 3.38Å; V328-F332 PolarHBondContact O-N 3.15Å
329K93.2Very high91.8Very high70 Ų7035 Ų3530%0.30418%0.179SC..Hα-helixtrans-52.8-55.2173.1-77.5175.9-175.8166.80111.5I52 T325 E326 V331 F332 D333I52-K329 HydrophobicContact CB-CG 4.37Å; I52-K329 HydrophobicContact CD1-CG 3.56Å; I52-K329 HydrophobicContact CG1-CD 4.44Å; I52-K329 HydrophobicContact CG1-CG 3.76Å; I52-K329 HydrophobicContact CG2-CD 4.28Å; I52-K329 HydrophobicContact CG2-CG 3.63Å; T325-K329 WeakPolarHBondContact O-CG 3.3Å; T325-K329 PolarHBondContact O-N 2.82Å; E326-K329 PolarHBondContact O-N 3.38Å; E326-K329 IonicContact OE1-NZ 3.26Å; E326-K329 PolarHBondContact OE1-NZ 3.26Å; K329-V331 VanDerWaalsContact C-N 3.34Å; K329-V331 PolarHBondContact O-N 3.04Å; K329-F332 PolarHBondContact O-N 2.86Å; K329-D333 PolarHBondContact O-N 3.45Å
330F90.4Very high91.2Very high144 Ų14435.5 Ų35.563%0.63218%0.182SC*.Hα-helixtrans-58.9-45-178.3176.2-97000112.5E326 V328 A334E326-F330 WeakPolarHBondContact O-CB 3.25Å; E326-F330 PolarHBondContact O-N 3.12Å; V328-F330 PolarHBondContact O-N 2.92Å; F330-A334 PolarHBondContact O-N 3.29Å
331V89.8Confident90.5Very high4 Ų441.1 Ų41.12%0.02421%0.206CC..Hα-helixtrans-68.8-37.8-179.2173.40000110.9F263 H318 T320 N327 V328 K329 A334 V335F263-V331 HydrophobicContact CD1-CG1 4.01Å; F263-V331 HydrophobicContact CE1-CG1 3.18Å; F263-V331 HydrophobicContact CE2-CG1 4.36Å; F263-V331 HydrophobicContact CZ-CG1 3.41Å; F263-V331 VanDerWaalsContact CZ-CG1 3.41Å; H318-V331 HydrophobicContact CB-CG1 3.78Å; H318-V331 HydrophobicContact CB-CG2 4.23Å; T320-V331 HydrophobicContact CG2-CB 4.46Å; T320-V331 HydrophobicContact CG2-CG1 3.99Å; T320-V331 HydrophobicContact CG2-CG2 4.08Å; N327-V331 WeakPolarHBondContact O-CB 3.35Å; N327-V331 WeakPolarHBondContact O-CG2 3.4Å; N327-V331 PolarHBondContact O-N 2.95Å; N327-V331 VanDerWaalsContact O-N 3.08Å; V328-V331 PolarHBondContact O-N 3.22Å; K329-V331 VanDerWaalsContact C-N 3.34Å; K329-V331 PolarHBondContact O-N 3.04Å; V331-A334 PolarHBondContact O-N 3.38Å; V331-V335 WeakPolarHBondContact O-CG2 3.45Å; V331-V335 PolarHBondContact O-N 3.24Å
332F90.5Very high89.6Confident2 Ų242.8 Ų42.81%0.00921%0.213CC..Hα-helixtrans-72.6-32.6179.7-158.2-93000112.8L32 M49 F185 L187 F192 M194 I218 V328 K329 V335 T336L32-F332 HydrophobicContact CD1-CE2 3.79Å; L32-F332 HydrophobicContact CD1-CZ 3.51Å; M49-F332 HydrophobicContact CE-CB 4.4Å; M49-F332 HydrophobicContact CE-CD2 4Å; M49-F332 HydrophobicContact CE-CE2 4.48Å; M49-F332 HydrophobicContact CE-CG 4.06Å; M49-F332 HydrophobicContact SD-CD1 4.09Å; M49-F332 HydrophobicContact SD-CD2 3.8Å; M49-F332 HydrophobicContact SD-CE1 4.02Å; M49-F332 HydrophobicContact SD-CE2 3.71Å; M49-F332 HydrophobicContact SD-CG 3.99Å; M49-F332 HydrophobicContact SD-CZ 3.83Å; F185-F332 AromaticContact CE2-CE1 3.72Å; F185-F332 HydrophobicContact CE2-CE1 3.72Å; F185-F332 AromaticContact CE2-CZ 3.93Å; F185-F332 HydrophobicContact CE2-CZ 3.93Å; F185-F332 AromaticContact CZ-CE1 3.87Å; F185-F332 HydrophobicContact CZ-CE1 3.87Å; F185-F332 HydrophobicContact CZ-CE2 4.45Å; F185-F332 AromaticContact CZ-CZ 3.58Å; F185-F332 HydrophobicContact CZ-CZ 3.58Å; L187-F332 HydrophobicContact CD2-CD1 3.8Å; L187-F332 HydrophobicContact CD2-CE1 3.85Å; F192-F332 HydrophobicContact CD1-CZ 4.26Å; F192-F332 HydrophobicContact CE1-CE1 4.39Å; F192-F332 HydrophobicContact CE1-CZ 4.32Å; M194-F332 HydrophobicContact CE-CE2 3.64Å; M194-F332 HydrophobicContact CE-CZ 4.01Å; I218-F332 HydrophobicContact CD1-CE2 4.11Å; V328-F332 VanDerWaalsContact O-CB 3.25Å; V328-F332 WeakPolarHBondContact O-CB 3.38Å; V328-F332 PolarHBondContact O-N 3.15Å; K329-F332 PolarHBondContact O-N 2.86Å; F332-V335 WeakPolarHBondContact O-CB 3.42Å; F332-V335 PolarHBondContact O-N 3.48Å; F332-T336 WeakPolarHBondContact O-CB 3.48Å; F332-T336 PolarHBondContact O-N 2.92Å; F332-T336 PolarHBondContact O-OG1 2.93Å
333D89.8Confident88.5Confident61 Ų6145.5 Ų45.533%0.32623%0.227SC..Hα-helixtrans-61.7-44.5169.5-81.8-35.5000111.4K188 K329 V335 T336 D337K188-D333 IonicContact NZ-OD1 2.7Å; K329-D333 PolarHBondContact O-N 3.45Å; D333-V335 VanDerWaalsContact C-N 3.35Å; D333-V335 PolarHBondContact O-N 2.73Å; D333-T336 WeakPolarHBondContact O-CB 3.31Å; D333-T336 PolarHBondContact O-N 2.8Å; D333-D337 VanDerWaalsContact O-CG 3.31Å; D333-D337 PolarHBondContact O-N 3.39Å
334A85.9Confident87.5Confident27 Ų2747.5 Ų47.522%0.22324%0.237CC..Hα-helixtrans-62.5-41175.800000112.3F330 V331 T336 D337 I338F330-A334 PolarHBondContact O-N 3.29Å; V331-A334 PolarHBondContact O-N 3.38Å; A334-T336 VanDerWaalsContact C-N 3.33Å; A334-D337 PolarHBondContact O-N 2.93Å; A334-I338 WeakPolarHBondContact O-CD1 3.3Å; A334-I338 VanDerWaalsContact O-CG1 3.31Å; A334-I338 WeakPolarHBondContact O-CG1 3.3Å; A334-I338 PolarHBondContact O-N 3.2Å
335V87.5Confident86.3Confident0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-59.7-44.9173.3171.30000111I218 V261 F263 V331 F332 D333 D337 I338 I339I218-V335 HydrophobicContact CD1-CG1 4.47Å; V261-V335 HydrophobicContact CB-CG2 4.4Å; V261-V335 HydrophobicContact CG1-CG2 3.82Å; V261-V335 HydrophobicContact CG2-CG1 4.22Å; V261-V335 HydrophobicContact CG2-CG2 4.12Å; F263-V335 HydrophobicContact CE1-CG2 4.02Å; F263-V335 HydrophobicContact CZ-CG2 4.04Å; V331-V335 WeakPolarHBondContact O-CG2 3.45Å; V331-V335 PolarHBondContact O-N 3.24Å; F332-V335 WeakPolarHBondContact O-CB 3.42Å; F332-V335 PolarHBondContact O-N 3.48Å; D333-V335 VanDerWaalsContact C-N 3.35Å; D333-V335 PolarHBondContact O-N 2.73Å; V335-D337 VanDerWaalsContact C-N 3.34Å; V335-D337 PolarHBondContact O-N 3.35Å; V335-I338 WeakPolarHBondContact O-CB 3.43Å; V335-I338 PolarHBondContact O-N 2.95Å; V335-I339 HydrophobicContact CG1-CD1 3.72Å; V335-I339 HydrophobicContact CG1-CG1 4.45Å; V335-I339 VanDerWaalsContact O-CG1 3.3Å; V335-I339 WeakPolarHBondContact O-CG1 3.37Å; V335-I339 PolarHBondContact O-N 3.42Å
336T89.3Confident85Confident1 Ų152.8 Ų52.81%0.00627%0.266CS..Hα-helixtrans-61.6-43.6179.1-61.40000111L187 K188 F192 F332 D333 A334 I338 I339 I340L187-T336 HydrophobicContact CD2-CG2 4.18Å; L187-T336 WeakPolarHBondContact CD2-OG1 3.47Å; K188-T336 HydrophobicContact CD-CG2 4.26Å; F192-T336 HydrophobicContact CZ-CG2 4.03Å; F332-T336 WeakPolarHBondContact O-CB 3.48Å; F332-T336 PolarHBondContact O-N 2.92Å; F332-T336 PolarHBondContact O-OG1 2.93Å; D333-T336 WeakPolarHBondContact O-CB 3.31Å; D333-T336 PolarHBondContact O-N 2.8Å; A334-T336 VanDerWaalsContact C-N 3.33Å; T336-I338 VanDerWaalsContact C-N 3.34Å; T336-I338 PolarHBondContact O-N 3.34Å; T336-I339 PolarHBondContact O-N 2.83Å; T336-I340 HydrophobicContact CG2-CD1 3.76Å; T336-I340 HydrophobicContact CG2-CG1 4.42Å; T336-I340 WeakPolarHBondContact O-CB 3.11Å; T336-I340 VanDerWaalsContact O-CG1 3.26Å; T336-I340 WeakPolarHBondContact O-CG1 3.32Å; T336-I340 PolarHBondContact O-N 3.28Å
337D86.5Confident83.5Confident84 Ų8451.7 Ų51.745%0.44927%0.27SS..Hα-helixtrans-65.6-37.1178.8-66.1-9.8000111.8K188 D333 A334 V335 K341K188-D337 IonicContact NZ-OD1 2.97Å; K188-D337 PolarHBondContact NZ-OD1 2.8Å; D333-D337 VanDerWaalsContact O-CG 3.31Å; D333-D337 PolarHBondContact O-N 3.39Å; A334-D337 PolarHBondContact O-N 2.93Å; V335-D337 VanDerWaalsContact C-N 3.34Å; V335-D337 PolarHBondContact O-N 3.35Å; D337-K341 WeakPolarHBondContact O-CB 3.43Å; D337-K341 PolarHBondContact O-N 2.91Å
338I83.8Confident81.8Confident23 Ų2353.8 Ų53.812%0.11830%0.297CS..Hα-helixtrans-61.8-49.3173-70159.5000110.6Y316 A334 V335 T336 I340 K341 E342Y316-I338 HydrophobicContact CD1-CD1 3.62Å; Y316-I338 HydrophobicContact CD1-CG1 4.19Å; Y316-I338 HydrophobicContact CD2-CD1 4.04Å; Y316-I338 HydrophobicContact CD2-CG2 3.76Å; Y316-I338 HydrophobicContact CE1-CD1 4.09Å; Y316-I338 HydrophobicContact CE1-CG1 4.15Å; Y316-I338 HydrophobicContact CE1-CG2 4.31Å; Y316-I338 HydrophobicContact CE2-CD1 4.47Å; Y316-I338 HydrophobicContact CE2-CG2 3.35Å; Y316-I338 HydrophobicContact CG-CD1 3.57Å; Y316-I338 HydrophobicContact CG-CG1 4.39Å; Y316-I338 HydrophobicContact CG-CG2 4.38Å; A334-I338 WeakPolarHBondContact O-CD1 3.3Å; A334-I338 VanDerWaalsContact O-CG1 3.31Å; A334-I338 WeakPolarHBondContact O-CG1 3.3Å; A334-I338 PolarHBondContact O-N 3.2Å; V335-I338 WeakPolarHBondContact O-CB 3.43Å; V335-I338 PolarHBondContact O-N 2.95Å; T336-I338 VanDerWaalsContact C-N 3.34Å; T336-I338 PolarHBondContact O-N 3.34Å; I338-I340 VanDerWaalsContact C-N 3.35Å; I338-I340 PolarHBondContact O-N 3.28Å; I338-K341 WeakPolarHBondContact O-CB 3.41Å; I338-K341 PolarHBondContact O-N 2.95Å; I338-E342 WeakPolarHBondContact O-CG 3.45Å; I338-E342 PolarHBondContact O-N 3.15Å
339I83.9Confident80Confident1 Ų159.5 Ų59.51%0.00533%0.327CS..Hα-helixtrans-62.7-43.3-179.1-68.6167.3000110.8V30 L32 F192 T215 C216 V335 T336 K341 E342 N343V30-I339 HydrophobicContact CG1-CD1 4.12Å; V30-I339 HydrophobicContact CG1-CG2 3.9Å; V30-I339 HydrophobicContact CG2-CG2 4.11Å; L32-I339 HydrophobicContact CD2-CD1 3.64Å; F192-I339 HydrophobicContact CE1-CD1 4.42Å; T215-I339 HydrophobicContact CG2-CG2 4.07Å; C216-I339 HydrophobicContact CB-CD1 3.9Å; C216-I339 HydrophobicContact CB-CG1 4.03Å; V335-I339 HydrophobicContact CG1-CD1 3.72Å; V335-I339 HydrophobicContact CG1-CG1 4.45Å; V335-I339 VanDerWaalsContact O-CG1 3.3Å; V335-I339 WeakPolarHBondContact O-CG1 3.37Å; V335-I339 PolarHBondContact O-N 3.42Å; T336-I339 PolarHBondContact O-N 2.83Å; I339-K341 VanDerWaalsContact C-N 3.33Å; I339-K341 PolarHBondContact O-N 3.48Å; I339-E342 PolarHBondContact O-N 2.92Å; I339-N343 WeakPolarHBondContact O-CB 3.45Å; I339-N343 PolarHBondContact O-N 3.23Å; I339-N343 PolarHBondContact O-ND2 2.99Å
340I83.9Confident77.7Confident54 Ų5466.2 Ų66.228%0.27736%0.356SS..Hα-helixtrans-59.6-46.8175.8-71.4166.8000110.1L190 T336 I338 E342 N343 L344L190-I340 HydrophobicContact CD1-CD1 4.07Å; L190-I340 HydrophobicContact CD1-CG1 3.7Å; T336-I340 HydrophobicContact CG2-CD1 3.76Å; T336-I340 HydrophobicContact CG2-CG1 4.42Å; T336-I340 WeakPolarHBondContact O-CB 3.11Å; T336-I340 VanDerWaalsContact O-CG1 3.26Å; T336-I340 WeakPolarHBondContact O-CG1 3.32Å; T336-I340 PolarHBondContact O-N 3.28Å; I338-I340 VanDerWaalsContact C-N 3.35Å; I338-I340 PolarHBondContact O-N 3.28Å; I340-E342 VanDerWaalsContact C-N 3.31Å; I340-E342 PolarHBondContact O-N 3.43Å; I340-N343 PolarHBondContact O-N 2.97Å; I340-L344 HydrophobicContact CG2-CD1 3.93Å; I340-L344 HydrophobicContact CG2-CG 4.38Å; I340-L344 VanDerWaalsContact O-CG 3.29Å; I340-L344 WeakPolarHBondContact O-CG 3.32Å; I340-L344 PolarHBondContact O-N 3.43Å
341K81.2Confident77.1Confident120 Ų12062.3 Ų62.352%0.52234%0.343SS..Hα-helixtrans-60.3-40.7179.2-174.2-179.6-179.6-176.10112.1D337 I338 I339 L344 K345D337-K341 WeakPolarHBondContact O-CB 3.43Å; D337-K341 PolarHBondContact O-N 2.91Å; I338-K341 WeakPolarHBondContact O-CB 3.41Å; I338-K341 PolarHBondContact O-N 2.95Å; I339-K341 VanDerWaalsContact C-N 3.33Å; I339-K341 PolarHBondContact O-N 3.48Å; K341-L344 PolarHBondContact O-N 2.85Å; K341-K345 WeakPolarHBondContact O-CG 3.33Å; K341-K345 PolarHBondContact O-N 3.26Å; K341-K345 VanDerWaalsContact O-N 3.1Å
342E78.1Confident76.4Confident45 Ų4565.4 Ų65.421%0.2136%0.359CS..Hα-helixtrans-71-39.4178-72.5-179.5163.800112.8S259 I338 I339 I340 L344 K345 S346S259-E342 WeakPolarHBondContact CB-OE2 3.39Å; S259-E342 PolarHBondContact OG-OE1 3.33Å; S259-E342 PolarHBondContact OG-OE2 3.22Å; I338-E342 WeakPolarHBondContact O-CG 3.45Å; I338-E342 PolarHBondContact O-N 3.15Å; I339-E342 PolarHBondContact O-N 2.92Å; I340-E342 VanDerWaalsContact C-N 3.31Å; I340-E342 PolarHBondContact O-N 3.43Å; E342-L344 VanDerWaalsContact C-N 3.32Å; E342-L344 PolarHBondContact O-N 2.84Å; E342-K345 PolarHBondContact O-N 3.45Å; E342-S346 PolarHBondContact O-N 2.95Å
343N73.9Confident75.6Confident61 Ų6168.9 Ų68.933%0.32638%0.379SS..Hα-helixtrans-62.6-38.4172.4-76.4-21.9000111.9I339 I340 S346 C347I339-N343 WeakPolarHBondContact O-CB 3.45Å; I339-N343 PolarHBondContact O-N 3.23Å; I339-N343 PolarHBondContact O-ND2 2.99Å; I340-N343 PolarHBondContact O-N 2.97Å; N343-S346 PolarHBondContact O-N 3.35Å; N343-S346 PolarHBondContact O-OG 3.01Å; N343-C347 PolarHBondContact O-N 3.18Å; N343-C347 VanDerWaalsContact O-N 3.15Å; N343-C347 PolarHBondContact O-SG 2.95Å; N343-C347 VanDerWaalsContact O-SG 3.39Å
344L72.8Confident74.8Confident64 Ų6469.4 Ų69.434%0.33538%0.382SS..Hα-helixtrans-65.8-39.6175.4-71.5171.5000112.2I340 K341 E342 C347 G348 L349 F350I340-L344 HydrophobicContact CG2-CD1 3.93Å; I340-L344 HydrophobicContact CG2-CG 4.38Å; I340-L344 VanDerWaalsContact O-CG 3.29Å; I340-L344 WeakPolarHBondContact O-CG 3.32Å; I340-L344 PolarHBondContact O-N 3.43Å; K341-L344 PolarHBondContact O-N 2.85Å; E342-L344 VanDerWaalsContact C-N 3.32Å; E342-L344 PolarHBondContact O-N 2.84Å; L344-C347 PolarHBondContact O-N 3.34Å; L344-G348 PolarHBondContact O-N 3.04Å; L344-L349 HydrophobicContact CD2-CB 4.48Å; L344-L349 HydrophobicContact CD2-CD1 3.87Å; L344-L349 PolarHBondContact O-N 3.49Å; L344-L349 VanDerWaalsContact O-N 3.11Å; L344-F350 HydrophobicContact CB-CD2 4.37Å
345K72.1Confident74.1Confident111 Ų11172 Ų7248%0.48339%0.392SS..Hα-helixtrans-62.8-43.6173.8-74179.8-179-178.60111.8K341 E342 C347 G348 F350K341-K345 WeakPolarHBondContact O-CG 3.33Å; K341-K345 PolarHBondContact O-N 3.26Å; K341-K345 VanDerWaalsContact O-N 3.1Å; E342-K345 PolarHBondContact O-N 3.45Å; K345-C347 PolarHBondContact O-N 3.4Å; K345-G348 PolarHBondContact O-N 3.23Å; K345-F350 HydrophobicContact CG-CB 4.13Å
346S67.9Low73.2Confident92 Ų9276.8 Ų76.864%0.64342%0.418SS*.Hα-helixtrans-67.3-26.1-179.4690000112.8E342 N343 G348E342-S346 PolarHBondContact O-N 2.95Å; N343-S346 PolarHBondContact O-N 3.35Å; N343-S346 PolarHBondContact O-OG 3.01Å; S346-G348 VanDerWaalsContact C-N 3.32Å
347C65Low72.1Confident96 Ų9682.2 Ų82.265%0.64945%0.447SS*.THydrogen-bonded Turntrans-82.20.8170.9-66.20000114.7N343 L344 K345 L349N343-C347 PolarHBondContact O-N 3.18Å; N343-C347 VanDerWaalsContact O-N 3.15Å; N343-C347 PolarHBondContact O-SG 2.95Å; N343-C347 VanDerWaalsContact O-SG 3.39Å; L344-C347 PolarHBondContact O-N 3.34Å; K345-C347 PolarHBondContact O-N 3.4Å; C347-L349 VanDerWaalsContact C-N 3.32Å; C347-L349 HydrophobicContact CB-CD1 4.11Å; C347-L349 HydrophobicContact CB-CG 4.5Å; C347-L349 PolarHBondContact O-N 3.23Å
348G57.2Low71Confident65 Ų6582.1 Ų82.167%0.6745%0.447SS*.THydrogen-bonded Turntrans7221.2178.700000114.7L344 K345 S346L344-G348 PolarHBondContact O-N 3.04Å; K345-G348 PolarHBondContact O-N 3.23Å; S346-G348 VanDerWaalsContact C-N 3.32Å
349L58Low69.9Low125 Ų12587 Ų8765%0.65448%0.475SS*.  trans-89.1-0.1178.7-72.8160.3000113.1L344 C347L344-L349 HydrophobicContact CD2-CB 4.48Å; L344-L349 HydrophobicContact CD2-CD1 3.87Å; L344-L349 PolarHBondContact O-N 3.49Å; L344-L349 VanDerWaalsContact O-N 3.11Å; C347-L349 VanDerWaalsContact C-N 3.32Å; C347-L349 HydrophobicContact CB-CD1 4.11Å; C347-L349 HydrophobicContact CB-CG 4.5Å; C347-L349 PolarHBondContact O-N 3.23Å
350F44.7Very low68.6Low210 Ų21094.8 Ų94.892%0.92152%0.517SS*.  trans-145.10179-100.4-82.3000113L344 K345L344-F350 HydrophobicContact CB-CD2 4.37Å; K345-F350 HydrophobicContact CG-CB 4.13Å

Retrieved 350 of 350 residues in 2475.5 ms (Link to these results)

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